----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:05:34]------------------------- 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 7.916978170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218276970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.500700350000001 Atomic positions (fractional): *1 Ga 0.77477524499377 0.87586523464324 0.00000000000000 69.723 2 Ga 0.22522475500623 0.12413476535676 0.00000000000000 69.723 3 Ga 0.27477524499377 0.62413476535676 0.50000000000000 69.723 4 Ga 0.72522475500623 0.37586523464324 0.50000000000000 69.723 *5 Na 0.25867261165899 0.75256667962091 0.00000000000000 22.990 6 Na 0.74132738834101 0.24743332037909 0.00000000000000 22.990 7 Na 0.75867261165899 0.74743332037909 0.50000000000000 22.990 8 Na 0.24132738834101 0.25256667962091 0.50000000000000 22.990 *9 Na 0.50000000000000 0.00000000000000 0.74122340420683 22.990 10 Na 0.00000000000000 0.50000000000000 0.75877659579317 22.990 11 Na 0.50000000000000 0.00000000000000 0.25877659579317 22.990 12 Na 0.00000000000000 0.50000000000000 0.24122340420683 22.990 *13 O 0.56318183464190 0.77503982668556 0.00000000000000 15.999 14 O 0.43681816535810 0.22496017331444 0.00000000000000 15.999 15 O 0.06318183464190 0.72496017331444 0.50000000000000 15.999 16 O 0.93681816535810 0.27503982668556 0.50000000000000 15.999 *17 O 0.80336575080348 0.98958826622845 0.75738293650579 15.999 18 O 0.19663424919652 0.01041173377155 0.75738293650579 15.999 19 O 0.30336575080348 0.51041173377155 0.74261706349421 15.999 20 O 0.69663424919652 0.48958826622845 0.74261706349421 15.999 21 O 0.19663424919652 0.01041173377155 0.24261706349421 15.999 22 O 0.80336575080348 0.98958826622845 0.24261706349421 15.999 23 O 0.69663424919652 0.48958826622845 0.25738293650579 15.999 24 O 0.30336575080348 0.51041173377155 0.25738293650579 15.999 *25 O 0.95167860640660 0.72198995477902 0.00000000000000 15.999 26 O 0.04832139359340 0.27801004522098 0.00000000000000 15.999 27 O 0.45167860640660 0.77801004522098 0.50000000000000 15.999 28 O 0.54832139359340 0.22198995477902 0.50000000000000 15.999 *29 Li 0.48499105550702 0.35172023934617 0.75531637341552 6.941 30 Li 0.51500894449298 0.64827976065383 0.75531637341552 6.941 31 Li 0.98499105550702 0.14827976065383 0.74468362658448 6.941 32 Li 0.01500894449298 0.85172023934617 0.74468362658448 6.941 33 Li 0.51500894449298 0.64827976065383 0.24468362658448 6.941 34 Li 0.48499105550702 0.35172023934617 0.24468362658448 6.941 35 Li 0.01500894449298 0.85172023934617 0.25531637341552 6.941 36 Li 0.98499105550702 0.14827976065383 0.25531637341552 6.941 *37 Li 0.26482322025995 0.41649348882165 0.00000000000000 6.941 38 Li 0.73517677974005 0.58350651117835 0.00000000000000 6.941 39 Li 0.76482322025995 0.08350651117835 0.50000000000000 6.941 40 Li 0.23517677974005 0.91649348882165 0.50000000000000 6.941 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.916978170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218276970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.500700350000001 Atomic positions (fractional): *1 Ga 0.77477524499377 0.87586523464324 0.00000000000000 69.723 > 1 2 Ga 0.22522475500623 0.12413476535676 0.00000000000000 69.723 > 2 3 Ga 0.27477524499377 0.62413476535676 0.50000000000000 69.723 > 3 4 Ga 0.72522475500623 0.37586523464324 0.50000000000000 69.723 > 4 *5 Na 0.25867261165899 0.75256667962091 0.00000000000000 22.990 > 5 6 Na 0.74132738834101 0.24743332037909 0.00000000000000 22.990 > 6 7 Na 0.75867261165899 0.74743332037909 0.50000000000000 22.990 > 7 8 Na 0.24132738834101 0.25256667962091 0.50000000000000 22.990 > 8 *9 Na 0.50000000000000 0.00000000000000 0.74122340420683 22.990 > 9 10 Na 0.00000000000000 0.50000000000000 0.75877659579317 22.990 > 10 11 Na 0.50000000000000 0.00000000000000 0.25877659579317 22.990 > 11 12 Na 0.00000000000000 0.50000000000000 0.24122340420683 22.990 > 12 *13 O 0.56318183464190 0.77503982668556 0.00000000000000 15.999 > 13 14 O 0.43681816535810 0.22496017331444 0.00000000000000 15.999 > 14 15 O 0.06318183464190 0.72496017331444 0.50000000000000 15.999 > 15 16 O 0.93681816535810 0.27503982668556 0.50000000000000 15.999 > 16 *17 O 0.80336575080348 0.98958826622845 0.75738293650579 15.999 > 17 18 O 0.19663424919652 0.01041173377155 0.75738293650579 15.999 > 18 19 O 0.30336575080348 0.51041173377155 0.74261706349421 15.999 > 19 20 O 0.69663424919652 0.48958826622845 0.74261706349421 15.999 > 20 21 O 0.19663424919652 0.01041173377155 0.24261706349421 15.999 > 21 22 O 0.80336575080348 0.98958826622845 0.24261706349421 15.999 > 22 23 O 0.69663424919652 0.48958826622845 0.25738293650579 15.999 > 23 24 O 0.30336575080348 0.51041173377155 0.25738293650579 15.999 > 24 *25 O 0.95167860640660 0.72198995477902 0.00000000000000 15.999 > 25 26 O 0.04832139359340 0.27801004522098 0.00000000000000 15.999 > 26 27 O 0.45167860640660 0.77801004522098 0.50000000000000 15.999 > 27 28 O 0.54832139359340 0.22198995477902 0.50000000000000 15.999 > 28 *29 Li 0.48499105550702 0.35172023934617 0.75531637341552 6.941 > 29 30 Li 0.51500894449298 0.64827976065383 0.75531637341552 6.941 > 30 31 Li 0.98499105550702 0.14827976065383 0.74468362658448 6.941 > 31 32 Li 0.01500894449298 0.85172023934617 0.74468362658448 6.941 > 32 33 Li 0.51500894449298 0.64827976065383 0.24468362658448 6.941 > 33 34 Li 0.48499105550702 0.35172023934617 0.24468362658448 6.941 > 34 35 Li 0.01500894449298 0.85172023934617 0.25531637341552 6.941 > 35 36 Li 0.98499105550702 0.14827976065383 0.25531637341552 6.941 > 36 *37 Li 0.26482322025995 0.41649348882165 0.00000000000000 6.941 > 37 38 Li 0.73517677974005 0.58350651117835 0.00000000000000 6.941 > 38 39 Li 0.76482322025995 0.08350651117835 0.50000000000000 6.941 > 39 40 Li 0.23517677974005 0.91649348882165 0.50000000000000 6.941 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.916978170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218276970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.001400700000001 Atomic positions (fractional): *1 Ga 0.77477524499377 0.87586523464324 0.00000000000000 69.723 > 1 2 Ga 0.77477524499377 0.87586523464324 0.50000000000000 69.723 > 1 3 Ga 0.22522475500623 0.12413476535676 0.00000000000000 69.723 > 2 4 Ga 0.22522475500623 0.12413476535676 0.50000000000000 69.723 > 2 5 Ga 0.27477524499377 0.62413476535676 0.25000000000000 69.723 > 3 6 Ga 0.27477524499377 0.62413476535676 0.75000000000000 69.723 > 3 7 Ga 0.72522475500623 0.37586523464324 0.25000000000000 69.723 > 4 8 Ga 0.72522475500623 0.37586523464324 0.75000000000000 69.723 > 4 *9 Na 0.25867261165899 0.75256667962091 0.00000000000000 22.990 > 5 10 Na 0.25867261165899 0.75256667962091 0.50000000000000 22.990 > 5 11 Na 0.74132738834101 0.24743332037909 0.00000000000000 22.990 > 6 12 Na 0.74132738834101 0.24743332037909 0.50000000000000 22.990 > 6 13 Na 0.75867261165899 0.74743332037909 0.25000000000000 22.990 > 7 14 Na 0.75867261165899 0.74743332037909 0.75000000000000 22.990 > 7 15 Na 0.24132738834101 0.25256667962091 0.25000000000000 22.990 > 8 16 Na 0.24132738834101 0.25256667962091 0.75000000000000 22.990 > 8 *17 Na 0.50000000000000 0.00000000000000 0.37061170210342 22.990 > 9 18 Na 0.50000000000000 0.00000000000000 0.87061170210342 22.990 > 9 19 Na 0.00000000000000 0.50000000000000 0.37938829789658 22.990 > 10 20 Na 0.00000000000000 0.50000000000000 0.87938829789658 22.990 > 10 21 Na 0.50000000000000 0.00000000000000 0.12938829789658 22.990 > 11 22 Na 0.50000000000000 0.00000000000000 0.62938829789658 22.990 > 11 23 Na 0.00000000000000 0.50000000000000 0.12061170210342 22.990 > 12 24 Na 0.00000000000000 0.50000000000000 0.62061170210342 22.990 > 12 *25 O 0.56318183464190 0.77503982668556 0.00000000000000 15.999 > 13 26 O 0.56318183464190 0.77503982668556 0.50000000000000 15.999 > 13 27 O 0.43681816535810 0.22496017331444 0.00000000000000 15.999 > 14 28 O 0.43681816535810 0.22496017331444 0.50000000000000 15.999 > 14 29 O 0.06318183464190 0.72496017331444 0.25000000000000 15.999 > 15 30 O 0.06318183464190 0.72496017331444 0.75000000000000 15.999 > 15 31 O 0.93681816535810 0.27503982668556 0.25000000000000 15.999 > 16 32 O 0.93681816535810 0.27503982668556 0.75000000000000 15.999 > 16 *33 O 0.80336575080348 0.98958826622845 0.37869146825289 15.999 > 17 34 O 0.80336575080348 0.98958826622845 0.87869146825289 15.999 > 17 35 O 0.19663424919652 0.01041173377155 0.37869146825289 15.999 > 18 36 O 0.19663424919652 0.01041173377155 0.87869146825289 15.999 > 18 37 O 0.30336575080348 0.51041173377155 0.37130853174711 15.999 > 19 38 O 0.30336575080348 0.51041173377155 0.87130853174711 15.999 > 19 39 O 0.69663424919652 0.48958826622845 0.37130853174711 15.999 > 20 40 O 0.69663424919652 0.48958826622845 0.87130853174711 15.999 > 20 41 O 0.19663424919652 0.01041173377155 0.12130853174711 15.999 > 21 42 O 0.19663424919652 0.01041173377155 0.62130853174711 15.999 > 21 43 O 0.80336575080348 0.98958826622845 0.12130853174711 15.999 > 22 44 O 0.80336575080348 0.98958826622845 0.62130853174711 15.999 > 22 45 O 0.69663424919652 0.48958826622845 0.12869146825289 15.999 > 23 46 O 0.69663424919652 0.48958826622845 0.62869146825289 15.999 > 23 47 O 0.30336575080348 0.51041173377155 0.12869146825289 15.999 > 24 48 O 0.30336575080348 0.51041173377155 0.62869146825289 15.999 > 24 *49 O 0.95167860640660 0.72198995477902 0.00000000000000 15.999 > 25 50 O 0.95167860640660 0.72198995477902 0.50000000000000 15.999 > 25 51 O 0.04832139359340 0.27801004522098 0.00000000000000 15.999 > 26 52 O 0.04832139359340 0.27801004522098 0.50000000000000 15.999 > 26 53 O 0.45167860640660 0.77801004522098 0.25000000000000 15.999 > 27 54 O 0.45167860640660 0.77801004522098 0.75000000000000 15.999 > 27 55 O 0.54832139359340 0.22198995477902 0.25000000000000 15.999 > 28 56 O 0.54832139359340 0.22198995477902 0.75000000000000 15.999 > 28 *57 Li 0.48499105550702 0.35172023934617 0.37765818670776 6.941 > 29 58 Li 0.48499105550702 0.35172023934617 0.87765818670776 6.941 > 29 59 Li 0.51500894449298 0.64827976065383 0.37765818670776 6.941 > 30 60 Li 0.51500894449298 0.64827976065383 0.87765818670776 6.941 > 30 61 Li 0.98499105550702 0.14827976065383 0.37234181329224 6.941 > 31 62 Li 0.98499105550702 0.14827976065383 0.87234181329224 6.941 > 31 63 Li 0.01500894449298 0.85172023934617 0.37234181329224 6.941 > 32 64 Li 0.01500894449298 0.85172023934617 0.87234181329224 6.941 > 32 65 Li 0.51500894449298 0.64827976065383 0.12234181329224 6.941 > 33 66 Li 0.51500894449298 0.64827976065383 0.62234181329224 6.941 > 33 67 Li 0.48499105550702 0.35172023934617 0.12234181329224 6.941 > 34 68 Li 0.48499105550702 0.35172023934617 0.62234181329224 6.941 > 34 69 Li 0.01500894449298 0.85172023934617 0.12765818670776 6.941 > 35 70 Li 0.01500894449298 0.85172023934617 0.62765818670776 6.941 > 35 71 Li 0.98499105550702 0.14827976065383 0.12765818670776 6.941 > 36 72 Li 0.98499105550702 0.14827976065383 0.62765818670776 6.941 > 36 *73 Li 0.26482322025995 0.41649348882165 0.00000000000000 6.941 > 37 74 Li 0.26482322025995 0.41649348882165 0.50000000000000 6.941 > 37 75 Li 0.73517677974005 0.58350651117835 0.00000000000000 6.941 > 38 76 Li 0.73517677974005 0.58350651117835 0.50000000000000 6.941 > 38 77 Li 0.76482322025995 0.08350651117835 0.25000000000000 6.941 > 39 78 Li 0.76482322025995 0.08350651117835 0.75000000000000 6.941 > 39 79 Li 0.23517677974005 0.91649348882165 0.25000000000000 6.941 > 40 80 Li 0.23517677974005 0.91649348882165 0.75000000000000 6.941 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0152022 0.0000000 0.0000000 0.0000000 3.0120780 0.0000000 0.0000000 0.0000000 3.0089531 -------------------------- Born effective charges -------------------------- 1 Ga 2.4118811 0.0706644 0.0000000 0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 2 Ga 2.4118811 0.0706644 0.0000000 0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 3 Ga 2.4118811 -0.0706644 0.0000000 -0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 4 Ga 2.4118811 -0.0706644 0.0000000 -0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 5 Na 1.1195041 -0.0330076 0.0000000 -0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 6 Na 1.1195041 -0.0330076 0.0000000 -0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 7 Na 1.1195041 0.0330076 0.0000000 0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 8 Na 1.1195041 0.0330076 0.0000000 0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 9 Na 1.0079881 -0.0214353 0.0000000 -0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 10 Na 1.0079881 0.0214353 0.0000000 0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 11 Na 1.0079881 -0.0214353 0.0000000 -0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 12 Na 1.0079881 0.0214353 0.0000000 0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 13 O -2.0986844 -0.2525970 0.0000000 -0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 14 O -2.0986844 -0.2525970 0.0000000 -0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 15 O -2.0986844 0.2525970 0.0000000 0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 16 O -2.0986844 0.2525970 0.0000000 0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 17 O -1.5827856 -0.0187404 0.0212645 -0.0741469 -1.7559041 0.4092111 0.0193919 0.3710626 -2.0604481 18 O -1.5827856 -0.0187404 -0.0212645 -0.0741469 -1.7559041 -0.4092111 -0.0193919 -0.3710626 -2.0604481 19 O -1.5827856 0.0187404 -0.0212645 0.0741469 -1.7559041 0.4092111 -0.0193919 0.3710626 -2.0604481 20 O -1.5827856 0.0187404 0.0212645 0.0741469 -1.7559041 -0.4092111 0.0193919 -0.3710626 -2.0604481 21 O -1.5827856 -0.0187404 0.0212645 -0.0741469 -1.7559041 0.4092111 0.0193919 0.3710626 -2.0604481 22 O -1.5827856 -0.0187404 -0.0212645 -0.0741469 -1.7559041 -0.4092111 -0.0193919 -0.3710626 -2.0604481 23 O -1.5827856 0.0187404 -0.0212645 0.0741469 -1.7559041 0.4092111 -0.0193919 0.3710626 -2.0604481 24 O -1.5827856 0.0187404 0.0212645 0.0741469 -1.7559041 -0.4092111 0.0193919 -0.3710626 -2.0604481 25 O -1.9335816 0.2638439 0.0000000 0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 26 O -1.9335816 0.2638439 0.0000000 0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 27 O -1.9335816 -0.2638439 0.0000000 -0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 28 O -1.9335816 -0.2638439 0.0000000 -0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 29 Li 0.9246285 0.0156885 -0.1985953 -0.0729156 0.8909647 -0.0863472 -0.1011010 -0.1057647 0.8965211 30 Li 0.9246285 0.0156885 0.1985953 -0.0729156 0.8909647 0.0863472 0.1011010 0.1057647 0.8965211 31 Li 0.9246285 -0.0156885 0.1985953 0.0729156 0.8909647 -0.0863472 0.1011010 -0.1057647 0.8965211 32 Li 0.9246285 -0.0156885 -0.1985953 0.0729156 0.8909647 0.0863472 -0.1011010 0.1057647 0.8965211 33 Li 0.9246285 0.0156885 -0.1985953 -0.0729156 0.8909647 -0.0863472 -0.1011010 -0.1057647 0.8965211 34 Li 0.9246285 0.0156885 0.1985953 -0.0729156 0.8909647 0.0863472 0.1011010 0.1057647 0.8965211 35 Li 0.9246285 -0.0156885 0.1985953 0.0729156 0.8909647 -0.0863472 0.1011010 -0.1057647 0.8965211 36 Li 0.9246285 -0.0156885 -0.1985953 0.0729156 0.8909647 0.0863472 -0.1011010 0.1057647 0.8965211 37 Li 0.8092068 0.0267087 0.0000000 0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 38 Li 0.8092068 0.0267087 0.0000000 0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 39 Li 0.8092068 -0.0267087 0.0000000 -0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 40 Li 0.8092068 -0.0267087 0.0000000 -0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 ---------------------------------------------------------------------------- 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: 2.228 Solver_block: 200 / 640 - Time: 2.190 Solver_block: 300 / 640 - Time: 2.185 Solver_block: 400 / 640 - Time: 2.190 Solver_block: 500 / 640 - Time: 2.186 Solver_block: 600 / 640 - Time: 2.186 Solver_block: 640 / 640 - Time: 0.944 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.156 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:06:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:06:08]------------------------- 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 7.916978170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218276970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.500700350000001 Atomic positions (fractional): 1 Ga 0.77477524499377 0.87586523464324 0.00000000000000 69.723 2 Ga 0.22522475500623 0.12413476535676 0.00000000000000 69.723 3 Ga 0.27477524499377 0.62413476535676 0.50000000000000 69.723 4 Ga 0.72522475500623 0.37586523464324 0.50000000000000 69.723 5 Na 0.25867261165899 0.75256667962091 0.00000000000000 22.990 6 Na 0.74132738834101 0.24743332037909 0.00000000000000 22.990 7 Na 0.75867261165899 0.74743332037909 0.50000000000000 22.990 8 Na 0.24132738834101 0.25256667962091 0.50000000000000 22.990 9 Na 0.50000000000000 0.00000000000000 0.74122340420683 22.990 10 Na 0.00000000000000 0.50000000000000 0.75877659579317 22.990 11 Na 0.50000000000000 0.00000000000000 0.25877659579317 22.990 12 Na 0.00000000000000 0.50000000000000 0.24122340420683 22.990 13 O 0.56318183464190 0.77503982668556 0.00000000000000 15.999 14 O 0.43681816535810 0.22496017331444 0.00000000000000 15.999 15 O 0.06318183464190 0.72496017331444 0.50000000000000 15.999 16 O 0.93681816535810 0.27503982668556 0.50000000000000 15.999 17 O 0.80336575080348 0.98958826622845 0.75738293650579 15.999 18 O 0.19663424919652 0.01041173377155 0.75738293650579 15.999 19 O 0.30336575080348 0.51041173377155 0.74261706349421 15.999 20 O 0.69663424919652 0.48958826622845 0.74261706349421 15.999 21 O 0.19663424919652 0.01041173377155 0.24261706349421 15.999 22 O 0.80336575080348 0.98958826622845 0.24261706349421 15.999 23 O 0.69663424919652 0.48958826622845 0.25738293650579 15.999 24 O 0.30336575080348 0.51041173377155 0.25738293650579 15.999 25 O 0.95167860640660 0.72198995477902 0.00000000000000 15.999 26 O 0.04832139359340 0.27801004522098 0.00000000000000 15.999 27 O 0.45167860640660 0.77801004522098 0.50000000000000 15.999 28 O 0.54832139359340 0.22198995477902 0.50000000000000 15.999 29 Li 0.48499105550702 0.35172023934617 0.75531637341552 6.941 30 Li 0.51500894449298 0.64827976065383 0.75531637341552 6.941 31 Li 0.98499105550702 0.14827976065383 0.74468362658448 6.941 32 Li 0.01500894449298 0.85172023934617 0.74468362658448 6.941 33 Li 0.51500894449298 0.64827976065383 0.24468362658448 6.941 34 Li 0.48499105550702 0.35172023934617 0.24468362658448 6.941 35 Li 0.01500894449298 0.85172023934617 0.25531637341552 6.941 36 Li 0.98499105550702 0.14827976065383 0.25531637341552 6.941 37 Li 0.26482322025995 0.41649348882165 0.00000000000000 6.941 38 Li 0.73517677974005 0.58350651117835 0.00000000000000 6.941 39 Li 0.76482322025995 0.08350651117835 0.50000000000000 6.941 40 Li 0.23517677974005 0.91649348882165 0.50000000000000 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.916978170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218276970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.001400700000001 Atomic positions (fractional): 1 Ga 0.77477524499377 0.87586523464324 0.00000000000000 69.723 > 1 2 Ga 0.77477524499377 0.87586523464324 0.50000000000000 69.723 > 1 3 Ga 0.22522475500623 0.12413476535676 0.00000000000000 69.723 > 3 4 Ga 0.22522475500623 0.12413476535676 0.50000000000000 69.723 > 3 5 Ga 0.27477524499377 0.62413476535676 0.25000000000000 69.723 > 5 6 Ga 0.27477524499377 0.62413476535676 0.75000000000000 69.723 > 5 7 Ga 0.72522475500623 0.37586523464324 0.25000000000000 69.723 > 7 8 Ga 0.72522475500623 0.37586523464324 0.75000000000000 69.723 > 7 9 Na 0.25867261165899 0.75256667962091 0.00000000000000 22.990 > 9 10 Na 0.25867261165899 0.75256667962091 0.50000000000000 22.990 > 9 11 Na 0.74132738834101 0.24743332037909 0.00000000000000 22.990 > 11 12 Na 0.74132738834101 0.24743332037909 0.50000000000000 22.990 > 11 13 Na 0.75867261165899 0.74743332037909 0.25000000000000 22.990 > 13 14 Na 0.75867261165899 0.74743332037909 0.75000000000000 22.990 > 13 15 Na 0.24132738834101 0.25256667962091 0.25000000000000 22.990 > 15 16 Na 0.24132738834101 0.25256667962091 0.75000000000000 22.990 > 15 17 Na 0.50000000000000 0.00000000000000 0.37061170210342 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.87061170210342 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.37938829789658 22.990 > 19 20 Na 0.00000000000000 0.50000000000000 0.87938829789658 22.990 > 19 21 Na 0.50000000000000 0.00000000000000 0.12938829789658 22.990 > 21 22 Na 0.50000000000000 0.00000000000000 0.62938829789658 22.990 > 21 23 Na 0.00000000000000 0.50000000000000 0.12061170210342 22.990 > 23 24 Na 0.00000000000000 0.50000000000000 0.62061170210342 22.990 > 23 25 O 0.56318183464190 0.77503982668556 0.00000000000000 15.999 > 25 26 O 0.56318183464190 0.77503982668556 0.50000000000000 15.999 > 25 27 O 0.43681816535810 0.22496017331444 0.00000000000000 15.999 > 27 28 O 0.43681816535810 0.22496017331444 0.50000000000000 15.999 > 27 29 O 0.06318183464190 0.72496017331444 0.25000000000000 15.999 > 29 30 O 0.06318183464190 0.72496017331444 0.75000000000000 15.999 > 29 31 O 0.93681816535810 0.27503982668556 0.25000000000000 15.999 > 31 32 O 0.93681816535810 0.27503982668556 0.75000000000000 15.999 > 31 33 O 0.80336575080348 0.98958826622845 0.37869146825289 15.999 > 33 34 O 0.80336575080348 0.98958826622845 0.87869146825289 15.999 > 33 35 O 0.19663424919652 0.01041173377155 0.37869146825289 15.999 > 35 36 O 0.19663424919652 0.01041173377155 0.87869146825289 15.999 > 35 37 O 0.30336575080348 0.51041173377155 0.37130853174711 15.999 > 37 38 O 0.30336575080348 0.51041173377155 0.87130853174711 15.999 > 37 39 O 0.69663424919652 0.48958826622845 0.37130853174711 15.999 > 39 40 O 0.69663424919652 0.48958826622845 0.87130853174711 15.999 > 39 41 O 0.19663424919652 0.01041173377155 0.12130853174711 15.999 > 41 42 O 0.19663424919652 0.01041173377155 0.62130853174711 15.999 > 41 43 O 0.80336575080348 0.98958826622845 0.12130853174711 15.999 > 43 44 O 0.80336575080348 0.98958826622845 0.62130853174711 15.999 > 43 45 O 0.69663424919652 0.48958826622845 0.12869146825289 15.999 > 45 46 O 0.69663424919652 0.48958826622845 0.62869146825289 15.999 > 45 47 O 0.30336575080348 0.51041173377155 0.12869146825289 15.999 > 47 48 O 0.30336575080348 0.51041173377155 0.62869146825289 15.999 > 47 49 O 0.95167860640660 0.72198995477902 0.00000000000000 15.999 > 49 50 O 0.95167860640660 0.72198995477902 0.50000000000000 15.999 > 49 51 O 0.04832139359340 0.27801004522098 0.00000000000000 15.999 > 51 52 O 0.04832139359340 0.27801004522098 0.50000000000000 15.999 > 51 53 O 0.45167860640660 0.77801004522098 0.25000000000000 15.999 > 53 54 O 0.45167860640660 0.77801004522098 0.75000000000000 15.999 > 53 55 O 0.54832139359340 0.22198995477902 0.25000000000000 15.999 > 55 56 O 0.54832139359340 0.22198995477902 0.75000000000000 15.999 > 55 57 Li 0.48499105550702 0.35172023934617 0.37765818670776 6.941 > 57 58 Li 0.48499105550702 0.35172023934617 0.87765818670776 6.941 > 57 59 Li 0.51500894449298 0.64827976065383 0.37765818670776 6.941 > 59 60 Li 0.51500894449298 0.64827976065383 0.87765818670776 6.941 > 59 61 Li 0.98499105550702 0.14827976065383 0.37234181329224 6.941 > 61 62 Li 0.98499105550702 0.14827976065383 0.87234181329224 6.941 > 61 63 Li 0.01500894449298 0.85172023934617 0.37234181329224 6.941 > 63 64 Li 0.01500894449298 0.85172023934617 0.87234181329224 6.941 > 63 65 Li 0.51500894449298 0.64827976065383 0.12234181329224 6.941 > 65 66 Li 0.51500894449298 0.64827976065383 0.62234181329224 6.941 > 65 67 Li 0.48499105550702 0.35172023934617 0.12234181329224 6.941 > 67 68 Li 0.48499105550702 0.35172023934617 0.62234181329224 6.941 > 67 69 Li 0.01500894449298 0.85172023934617 0.12765818670776 6.941 > 69 70 Li 0.01500894449298 0.85172023934617 0.62765818670776 6.941 > 69 71 Li 0.98499105550702 0.14827976065383 0.12765818670776 6.941 > 71 72 Li 0.98499105550702 0.14827976065383 0.62765818670776 6.941 > 71 73 Li 0.26482322025995 0.41649348882165 0.00000000000000 6.941 > 73 74 Li 0.26482322025995 0.41649348882165 0.50000000000000 6.941 > 73 75 Li 0.73517677974005 0.58350651117835 0.00000000000000 6.941 > 75 76 Li 0.73517677974005 0.58350651117835 0.50000000000000 6.941 > 75 77 Li 0.76482322025995 0.08350651117835 0.25000000000000 6.941 > 77 78 Li 0.76482322025995 0.08350651117835 0.75000000000000 6.941 > 77 79 Li 0.23517677974005 0.91649348882165 0.25000000000000 6.941 > 79 80 Li 0.23517677974005 0.91649348882165 0.75000000000000 6.941 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0152022 0.0000000 0.0000000 0.0000000 3.0120780 0.0000000 0.0000000 0.0000000 3.0089531 -------------------------- Born effective charges -------------------------- 1 Ga 2.4118811 0.0706644 0.0000000 0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 2 Ga 2.4118811 0.0706644 0.0000000 0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 3 Ga 2.4118811 -0.0706644 0.0000000 -0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 4 Ga 2.4118811 -0.0706644 0.0000000 -0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 5 Na 1.1195041 -0.0330076 0.0000000 -0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 6 Na 1.1195041 -0.0330076 0.0000000 -0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 7 Na 1.1195041 0.0330076 0.0000000 0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 8 Na 1.1195041 0.0330076 0.0000000 0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 9 Na 1.0079881 -0.0214353 0.0000000 -0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 10 Na 1.0079881 0.0214353 0.0000000 0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 11 Na 1.0079881 -0.0214353 0.0000000 -0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 12 Na 1.0079881 0.0214353 0.0000000 0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 13 O -2.0986844 -0.2525970 0.0000000 -0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 14 O -2.0986844 -0.2525970 0.0000000 -0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 15 O -2.0986844 0.2525970 0.0000000 0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 16 O -2.0986844 0.2525970 0.0000000 0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 17 O -1.5827856 -0.0187404 0.0212645 -0.0741469 -1.7559041 0.4092111 0.0193919 0.3710626 -2.0604481 18 O -1.5827856 -0.0187404 -0.0212645 -0.0741469 -1.7559041 -0.4092111 -0.0193919 -0.3710626 -2.0604481 19 O -1.5827856 0.0187404 -0.0212645 0.0741469 -1.7559041 0.4092111 -0.0193919 0.3710626 -2.0604481 20 O -1.5827856 0.0187404 0.0212645 0.0741469 -1.7559041 -0.4092111 0.0193919 -0.3710626 -2.0604481 21 O -1.5827856 -0.0187404 0.0212645 -0.0741469 -1.7559041 0.4092111 0.0193919 0.3710626 -2.0604481 22 O -1.5827856 -0.0187404 -0.0212645 -0.0741469 -1.7559041 -0.4092111 -0.0193919 -0.3710626 -2.0604481 23 O -1.5827856 0.0187404 -0.0212645 0.0741469 -1.7559041 0.4092111 -0.0193919 0.3710626 -2.0604481 24 O -1.5827856 0.0187404 0.0212645 0.0741469 -1.7559041 -0.4092111 0.0193919 -0.3710626 -2.0604481 25 O -1.9335816 0.2638439 0.0000000 0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 26 O -1.9335816 0.2638439 0.0000000 0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 27 O -1.9335816 -0.2638439 0.0000000 -0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 28 O -1.9335816 -0.2638439 0.0000000 -0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 29 Li 0.9246285 0.0156885 -0.1985953 -0.0729156 0.8909647 -0.0863472 -0.1011010 -0.1057647 0.8965211 30 Li 0.9246285 0.0156885 0.1985953 -0.0729156 0.8909647 0.0863472 0.1011010 0.1057647 0.8965211 31 Li 0.9246285 -0.0156885 0.1985953 0.0729156 0.8909647 -0.0863472 0.1011010 -0.1057647 0.8965211 32 Li 0.9246285 -0.0156885 -0.1985953 0.0729156 0.8909647 0.0863472 -0.1011010 0.1057647 0.8965211 33 Li 0.9246285 0.0156885 -0.1985953 -0.0729156 0.8909647 -0.0863472 -0.1011010 -0.1057647 0.8965211 34 Li 0.9246285 0.0156885 0.1985953 -0.0729156 0.8909647 0.0863472 0.1011010 0.1057647 0.8965211 35 Li 0.9246285 -0.0156885 0.1985953 0.0729156 0.8909647 -0.0863472 0.1011010 -0.1057647 0.8965211 36 Li 0.9246285 -0.0156885 -0.1985953 0.0729156 0.8909647 0.0863472 -0.1011010 0.1057647 0.8965211 37 Li 0.8092068 0.0267087 0.0000000 0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 38 Li 0.8092068 0.0267087 0.0000000 0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 39 Li 0.8092068 -0.0267087 0.0000000 -0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 40 Li 0.8092068 -0.0267087 0.0000000 -0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 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: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 10:06:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:06:27]------------------------- 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 7.916978170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218276970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.500700350000001 Atomic positions (fractional): 1 Ga 0.77477524499377 0.87586523464324 0.00000000000000 69.723 2 Ga 0.22522475500623 0.12413476535676 0.00000000000000 69.723 3 Ga 0.27477524499377 0.62413476535676 0.50000000000000 69.723 4 Ga 0.72522475500623 0.37586523464324 0.50000000000000 69.723 5 Na 0.25867261165899 0.75256667962091 0.00000000000000 22.990 6 Na 0.74132738834101 0.24743332037909 0.00000000000000 22.990 7 Na 0.75867261165899 0.74743332037909 0.50000000000000 22.990 8 Na 0.24132738834101 0.25256667962091 0.50000000000000 22.990 9 Na 0.50000000000000 0.00000000000000 0.74122340420683 22.990 10 Na 0.00000000000000 0.50000000000000 0.75877659579317 22.990 11 Na 0.50000000000000 0.00000000000000 0.25877659579317 22.990 12 Na 0.00000000000000 0.50000000000000 0.24122340420683 22.990 13 O 0.56318183464190 0.77503982668556 0.00000000000000 15.999 14 O 0.43681816535810 0.22496017331444 0.00000000000000 15.999 15 O 0.06318183464190 0.72496017331444 0.50000000000000 15.999 16 O 0.93681816535810 0.27503982668556 0.50000000000000 15.999 17 O 0.80336575080348 0.98958826622845 0.75738293650579 15.999 18 O 0.19663424919652 0.01041173377155 0.75738293650579 15.999 19 O 0.30336575080348 0.51041173377155 0.74261706349421 15.999 20 O 0.69663424919652 0.48958826622845 0.74261706349421 15.999 21 O 0.19663424919652 0.01041173377155 0.24261706349421 15.999 22 O 0.80336575080348 0.98958826622845 0.24261706349421 15.999 23 O 0.69663424919652 0.48958826622845 0.25738293650579 15.999 24 O 0.30336575080348 0.51041173377155 0.25738293650579 15.999 25 O 0.95167860640660 0.72198995477902 0.00000000000000 15.999 26 O 0.04832139359340 0.27801004522098 0.00000000000000 15.999 27 O 0.45167860640660 0.77801004522098 0.50000000000000 15.999 28 O 0.54832139359340 0.22198995477902 0.50000000000000 15.999 29 Li 0.48499105550702 0.35172023934617 0.75531637341552 6.941 30 Li 0.51500894449298 0.64827976065383 0.75531637341552 6.941 31 Li 0.98499105550702 0.14827976065383 0.74468362658448 6.941 32 Li 0.01500894449298 0.85172023934617 0.74468362658448 6.941 33 Li 0.51500894449298 0.64827976065383 0.24468362658448 6.941 34 Li 0.48499105550702 0.35172023934617 0.24468362658448 6.941 35 Li 0.01500894449298 0.85172023934617 0.25531637341552 6.941 36 Li 0.98499105550702 0.14827976065383 0.25531637341552 6.941 37 Li 0.26482322025995 0.41649348882165 0.00000000000000 6.941 38 Li 0.73517677974005 0.58350651117835 0.00000000000000 6.941 39 Li 0.76482322025995 0.08350651117835 0.50000000000000 6.941 40 Li 0.23517677974005 0.91649348882165 0.50000000000000 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.916978170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218276970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.001400700000001 Atomic positions (fractional): 1 Ga 0.77477524499377 0.87586523464324 0.00000000000000 69.723 > 1 2 Ga 0.77477524499377 0.87586523464324 0.50000000000000 69.723 > 1 3 Ga 0.22522475500623 0.12413476535676 0.00000000000000 69.723 > 3 4 Ga 0.22522475500623 0.12413476535676 0.50000000000000 69.723 > 3 5 Ga 0.27477524499377 0.62413476535676 0.25000000000000 69.723 > 5 6 Ga 0.27477524499377 0.62413476535676 0.75000000000000 69.723 > 5 7 Ga 0.72522475500623 0.37586523464324 0.25000000000000 69.723 > 7 8 Ga 0.72522475500623 0.37586523464324 0.75000000000000 69.723 > 7 9 Na 0.25867261165899 0.75256667962091 0.00000000000000 22.990 > 9 10 Na 0.25867261165899 0.75256667962091 0.50000000000000 22.990 > 9 11 Na 0.74132738834101 0.24743332037909 0.00000000000000 22.990 > 11 12 Na 0.74132738834101 0.24743332037909 0.50000000000000 22.990 > 11 13 Na 0.75867261165899 0.74743332037909 0.25000000000000 22.990 > 13 14 Na 0.75867261165899 0.74743332037909 0.75000000000000 22.990 > 13 15 Na 0.24132738834101 0.25256667962091 0.25000000000000 22.990 > 15 16 Na 0.24132738834101 0.25256667962091 0.75000000000000 22.990 > 15 17 Na 0.50000000000000 0.00000000000000 0.37061170210342 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.87061170210342 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.37938829789658 22.990 > 19 20 Na 0.00000000000000 0.50000000000000 0.87938829789658 22.990 > 19 21 Na 0.50000000000000 0.00000000000000 0.12938829789658 22.990 > 21 22 Na 0.50000000000000 0.00000000000000 0.62938829789658 22.990 > 21 23 Na 0.00000000000000 0.50000000000000 0.12061170210342 22.990 > 23 24 Na 0.00000000000000 0.50000000000000 0.62061170210342 22.990 > 23 25 O 0.56318183464190 0.77503982668556 0.00000000000000 15.999 > 25 26 O 0.56318183464190 0.77503982668556 0.50000000000000 15.999 > 25 27 O 0.43681816535810 0.22496017331444 0.00000000000000 15.999 > 27 28 O 0.43681816535810 0.22496017331444 0.50000000000000 15.999 > 27 29 O 0.06318183464190 0.72496017331444 0.25000000000000 15.999 > 29 30 O 0.06318183464190 0.72496017331444 0.75000000000000 15.999 > 29 31 O 0.93681816535810 0.27503982668556 0.25000000000000 15.999 > 31 32 O 0.93681816535810 0.27503982668556 0.75000000000000 15.999 > 31 33 O 0.80336575080348 0.98958826622845 0.37869146825289 15.999 > 33 34 O 0.80336575080348 0.98958826622845 0.87869146825289 15.999 > 33 35 O 0.19663424919652 0.01041173377155 0.37869146825289 15.999 > 35 36 O 0.19663424919652 0.01041173377155 0.87869146825289 15.999 > 35 37 O 0.30336575080348 0.51041173377155 0.37130853174711 15.999 > 37 38 O 0.30336575080348 0.51041173377155 0.87130853174711 15.999 > 37 39 O 0.69663424919652 0.48958826622845 0.37130853174711 15.999 > 39 40 O 0.69663424919652 0.48958826622845 0.87130853174711 15.999 > 39 41 O 0.19663424919652 0.01041173377155 0.12130853174711 15.999 > 41 42 O 0.19663424919652 0.01041173377155 0.62130853174711 15.999 > 41 43 O 0.80336575080348 0.98958826622845 0.12130853174711 15.999 > 43 44 O 0.80336575080348 0.98958826622845 0.62130853174711 15.999 > 43 45 O 0.69663424919652 0.48958826622845 0.12869146825289 15.999 > 45 46 O 0.69663424919652 0.48958826622845 0.62869146825289 15.999 > 45 47 O 0.30336575080348 0.51041173377155 0.12869146825289 15.999 > 47 48 O 0.30336575080348 0.51041173377155 0.62869146825289 15.999 > 47 49 O 0.95167860640660 0.72198995477902 0.00000000000000 15.999 > 49 50 O 0.95167860640660 0.72198995477902 0.50000000000000 15.999 > 49 51 O 0.04832139359340 0.27801004522098 0.00000000000000 15.999 > 51 52 O 0.04832139359340 0.27801004522098 0.50000000000000 15.999 > 51 53 O 0.45167860640660 0.77801004522098 0.25000000000000 15.999 > 53 54 O 0.45167860640660 0.77801004522098 0.75000000000000 15.999 > 53 55 O 0.54832139359340 0.22198995477902 0.25000000000000 15.999 > 55 56 O 0.54832139359340 0.22198995477902 0.75000000000000 15.999 > 55 57 Li 0.48499105550702 0.35172023934617 0.37765818670776 6.941 > 57 58 Li 0.48499105550702 0.35172023934617 0.87765818670776 6.941 > 57 59 Li 0.51500894449298 0.64827976065383 0.37765818670776 6.941 > 59 60 Li 0.51500894449298 0.64827976065383 0.87765818670776 6.941 > 59 61 Li 0.98499105550702 0.14827976065383 0.37234181329224 6.941 > 61 62 Li 0.98499105550702 0.14827976065383 0.87234181329224 6.941 > 61 63 Li 0.01500894449298 0.85172023934617 0.37234181329224 6.941 > 63 64 Li 0.01500894449298 0.85172023934617 0.87234181329224 6.941 > 63 65 Li 0.51500894449298 0.64827976065383 0.12234181329224 6.941 > 65 66 Li 0.51500894449298 0.64827976065383 0.62234181329224 6.941 > 65 67 Li 0.48499105550702 0.35172023934617 0.12234181329224 6.941 > 67 68 Li 0.48499105550702 0.35172023934617 0.62234181329224 6.941 > 67 69 Li 0.01500894449298 0.85172023934617 0.12765818670776 6.941 > 69 70 Li 0.01500894449298 0.85172023934617 0.62765818670776 6.941 > 69 71 Li 0.98499105550702 0.14827976065383 0.12765818670776 6.941 > 71 72 Li 0.98499105550702 0.14827976065383 0.62765818670776 6.941 > 71 73 Li 0.26482322025995 0.41649348882165 0.00000000000000 6.941 > 73 74 Li 0.26482322025995 0.41649348882165 0.50000000000000 6.941 > 73 75 Li 0.73517677974005 0.58350651117835 0.00000000000000 6.941 > 75 76 Li 0.73517677974005 0.58350651117835 0.50000000000000 6.941 > 75 77 Li 0.76482322025995 0.08350651117835 0.25000000000000 6.941 > 77 78 Li 0.76482322025995 0.08350651117835 0.75000000000000 6.941 > 77 79 Li 0.23517677974005 0.91649348882165 0.25000000000000 6.941 > 79 80 Li 0.23517677974005 0.91649348882165 0.75000000000000 6.941 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0152022 0.0000000 0.0000000 0.0000000 3.0120780 0.0000000 0.0000000 0.0000000 3.0089531 -------------------------- Born effective charges -------------------------- 1 Ga 2.4118811 0.0706644 0.0000000 0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 2 Ga 2.4118811 0.0706644 0.0000000 0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 3 Ga 2.4118811 -0.0706644 0.0000000 -0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 4 Ga 2.4118811 -0.0706644 0.0000000 -0.1008141 2.1884722 0.0000000 0.0000000 0.0000000 2.3164611 5 Na 1.1195041 -0.0330076 0.0000000 -0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 6 Na 1.1195041 -0.0330076 0.0000000 -0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 7 Na 1.1195041 0.0330076 0.0000000 0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 8 Na 1.1195041 0.0330076 0.0000000 0.0616112 1.0736910 0.0000000 0.0000000 0.0000000 1.1168372 9 Na 1.0079881 -0.0214353 0.0000000 -0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 10 Na 1.0079881 0.0214353 0.0000000 0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 11 Na 1.0079881 -0.0214353 0.0000000 -0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 12 Na 1.0079881 0.0214353 0.0000000 0.0768024 1.0515178 0.0000000 0.0000000 0.0000000 0.9698802 13 O -2.0986844 -0.2525970 0.0000000 -0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 14 O -2.0986844 -0.2525970 0.0000000 -0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 15 O -2.0986844 0.2525970 0.0000000 0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 16 O -2.0986844 0.2525970 0.0000000 0.1814996 -1.7203592 0.0000000 0.0000000 0.0000000 -1.6055863 17 O -1.5827856 -0.0187404 0.0212645 -0.0741469 -1.7559041 0.4092111 0.0193919 0.3710626 -2.0604481 18 O -1.5827856 -0.0187404 -0.0212645 -0.0741469 -1.7559041 -0.4092111 -0.0193919 -0.3710626 -2.0604481 19 O -1.5827856 0.0187404 -0.0212645 0.0741469 -1.7559041 0.4092111 -0.0193919 0.3710626 -2.0604481 20 O -1.5827856 0.0187404 0.0212645 0.0741469 -1.7559041 -0.4092111 0.0193919 -0.3710626 -2.0604481 21 O -1.5827856 -0.0187404 0.0212645 -0.0741469 -1.7559041 0.4092111 0.0193919 0.3710626 -2.0604481 22 O -1.5827856 -0.0187404 -0.0212645 -0.0741469 -1.7559041 -0.4092111 -0.0193919 -0.3710626 -2.0604481 23 O -1.5827856 0.0187404 -0.0212645 0.0741469 -1.7559041 0.4092111 -0.0193919 0.3710626 -2.0604481 24 O -1.5827856 0.0187404 0.0212645 0.0741469 -1.7559041 -0.4092111 0.0193919 -0.3710626 -2.0604481 25 O -1.9335816 0.2638439 0.0000000 0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 26 O -1.9335816 0.2638439 0.0000000 0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 27 O -1.9335816 -0.2638439 0.0000000 -0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 28 O -1.9335816 -0.2638439 0.0000000 -0.2085330 -1.8754212 0.0000000 0.0000000 0.0000000 -1.5708589 29 Li 0.9246285 0.0156885 -0.1985953 -0.0729156 0.8909647 -0.0863472 -0.1011010 -0.1057647 0.8965211 30 Li 0.9246285 0.0156885 0.1985953 -0.0729156 0.8909647 0.0863472 0.1011010 0.1057647 0.8965211 31 Li 0.9246285 -0.0156885 0.1985953 0.0729156 0.8909647 -0.0863472 0.1011010 -0.1057647 0.8965211 32 Li 0.9246285 -0.0156885 -0.1985953 0.0729156 0.8909647 0.0863472 -0.1011010 0.1057647 0.8965211 33 Li 0.9246285 0.0156885 -0.1985953 -0.0729156 0.8909647 -0.0863472 -0.1011010 -0.1057647 0.8965211 34 Li 0.9246285 0.0156885 0.1985953 -0.0729156 0.8909647 0.0863472 0.1011010 0.1057647 0.8965211 35 Li 0.9246285 -0.0156885 0.1985953 0.0729156 0.8909647 -0.0863472 0.1011010 -0.1057647 0.8965211 36 Li 0.9246285 -0.0156885 -0.1985953 0.0729156 0.8909647 0.0863472 -0.1011010 0.1057647 0.8965211 37 Li 0.8092068 0.0267087 0.0000000 0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 38 Li 0.8092068 0.0267087 0.0000000 0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 39 Li 0.8092068 -0.0267087 0.0000000 -0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 40 Li 0.8092068 -0.0267087 0.0000000 -0.0569136 1.0119781 0.0000000 0.0000000 0.0000000 1.1011208 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 319, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 3.970 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.924 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.482 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 8.640 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 0.000) 0.000 9.149 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.782 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 10.010 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.199 ( 0.000 0.000 0.000) 0.000 10.337 ( 0.000 0.000 0.000) 0.000 10.439 ( 0.000 0.000 0.000) 0.000 10.439 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.145 ( 0.000 0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 11.927 ( 0.000 0.000 0.000) 0.000 12.150 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 12.864 ( 0.000 0.000 0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 13.396 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 13.979 ( 0.000 0.000 0.000) 0.000 14.145 ( 0.000 0.000 0.000) 0.000 14.167 ( 0.000 0.000 0.000) 0.000 14.178 ( 0.000 0.000 0.000) 0.000 14.227 ( 0.000 0.000 0.000) 0.000 14.298 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 14.878 ( 0.000 0.000 0.000) 0.000 14.897 ( 0.000 0.000 0.000) 0.000 15.153 ( 0.000 0.000 0.000) 0.000 15.504 ( 0.000 0.000 0.000) 0.000 15.516 ( 0.000 0.000 0.000) 0.000 15.538 ( 0.000 0.000 0.000) 0.000 15.611 ( 0.000 0.000 0.000) 0.000 15.680 ( 0.000 0.000 0.000) 0.000 16.038 ( 0.000 0.000 0.000) 0.000 16.203 ( 0.000 0.000 0.000) 0.000 16.328 ( 0.000 0.000 0.000) 0.000 16.388 ( 0.000 0.000 0.000) 0.000 16.539 ( 0.000 0.000 0.000) 0.000 16.589 ( 0.000 0.000 0.000) 0.000 16.629 ( 0.000 0.000 0.000) 0.000 16.744 ( 0.000 0.000 0.000) 0.000 16.788 ( 0.000 0.000 0.000) 0.000 17.119 ( 0.000 0.000 0.000) 0.000 17.404 ( 0.000 0.000 0.000) 0.000 17.720 ( 0.000 0.000 0.000) 0.000 17.725 ( 0.000 0.000 0.000) 0.000 17.769 ( 0.000 0.000 0.000) 0.000 18.898 ( 0.000 0.000 0.000) 0.000 19.156 ( 0.000 0.000 0.000) 0.000 19.591 ( 0.000 0.000 0.000) 0.000 19.640 ( 0.000 0.000 0.000) 0.000 19.644 ( 0.000 0.000 0.000) 0.000 19.720 ( 0.000 0.000 0.000) 0.000 19.976 ( 0.000 0.000 0.000) 0.000 20.081 ( 0.000 0.000 0.000) 0.000 21.223 ( 0.000 0.000 0.000) 0.000 21.318 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 37.154 0.000 0.000) 37.154 0.913 ( 42.847 0.000 0.000) 42.847 1.366 ( 63.410 0.000 0.000) 63.410 2.690 ( 4.609 0.000 0.000) 4.609 2.731 ( -2.149 0.000 0.000) 2.149 2.852 ( 2.090 0.000 0.000) 2.090 3.058 ( -9.537 0.000 0.000) 9.537 3.240 ( -2.282 0.000 0.000) 2.282 3.264 ( -0.294 0.000 0.000) 0.294 3.653 ( 3.182 0.000 0.000) 3.182 3.701 ( -7.318 0.000 0.000) 7.318 3.786 ( 5.289 0.000 0.000) 5.289 3.894 ( 1.989 0.000 0.000) 1.989 3.906 ( -6.622 0.000 0.000) 6.622 3.991 ( -3.645 0.000 0.000) 3.645 4.050 ( -1.441 0.000 0.000) 1.441 4.360 ( -6.353 0.000 0.000) 6.353 4.464 ( -5.209 0.000 0.000) 5.209 4.638 ( 1.007 0.000 0.000) 1.007 4.660 ( -10.359 0.000 0.000) 10.359 4.732 ( -3.210 0.000 0.000) 3.210 4.917 ( 1.944 0.000 0.000) 1.944 4.926 ( 3.336 0.000 0.000) 3.336 4.963 ( -0.932 0.000 0.000) 0.932 5.172 ( 0.241 0.000 0.000) 0.241 5.206 ( 4.887 0.000 0.000) 4.887 5.265 ( 2.931 0.000 0.000) 2.931 5.281 ( 11.145 0.000 0.000) 11.145 5.667 ( 2.825 0.000 0.000) 2.825 5.721 ( -4.523 0.000 0.000) 4.523 5.840 ( -1.111 0.000 0.000) 1.111 5.917 ( -0.908 0.000 0.000) 0.908 6.090 ( 0.821 0.000 0.000) 0.821 6.109 ( 8.158 0.000 0.000) 8.158 6.267 ( 1.341 0.000 0.000) 1.341 6.368 ( -9.930 0.000 0.000) 9.930 6.424 ( -1.751 0.000 0.000) 1.751 6.550 ( 3.114 0.000 0.000) 3.114 6.657 ( 5.044 0.000 0.000) 5.044 6.721 ( -15.057 0.000 0.000) 15.057 6.957 ( -0.527 0.000 0.000) 0.527 7.152 ( 2.138 0.000 0.000) 2.138 7.524 ( -4.040 0.000 0.000) 4.040 7.530 ( -9.730 0.000 0.000) 9.730 7.676 ( -4.154 0.000 0.000) 4.154 7.801 ( -20.848 0.000 0.000) 20.848 7.821 ( 7.596 0.000 0.000) 7.596 7.969 ( 7.447 0.000 0.000) 7.447 8.010 ( 4.766 0.000 0.000) 4.766 8.130 ( -4.287 0.000 0.000) 4.287 8.460 ( 4.997 0.000 0.000) 4.997 8.814 ( -7.827 0.000 0.000) 7.827 8.913 ( -5.909 0.000 0.000) 5.909 8.924 ( 11.897 0.000 0.000) 11.897 9.208 ( 7.243 0.000 0.000) 7.243 9.562 ( -4.218 0.000 0.000) 4.218 9.609 ( 2.488 0.000 0.000) 2.488 9.789 ( 0.731 0.000 0.000) 0.731 10.026 ( 0.767 0.000 0.000) 0.767 10.154 ( 3.364 0.000 0.000) 3.364 10.156 ( -2.425 0.000 0.000) 2.425 10.320 ( 6.948 0.000 0.000) 6.948 10.346 ( -7.649 0.000 0.000) 7.649 10.357 ( 0.354 0.000 0.000) 0.354 10.491 ( -0.304 0.000 0.000) 0.304 10.553 ( 10.292 0.000 0.000) 10.292 10.924 ( 4.663 0.000 0.000) 4.663 11.039 ( -9.471 0.000 0.000) 9.471 11.077 ( 1.204 0.000 0.000) 1.204 11.514 ( -0.473 0.000 0.000) 0.473 11.658 ( -19.413 0.000 0.000) 19.413 11.801 ( -5.789 0.000 0.000) 5.789 12.003 ( 6.500 0.000 0.000) 6.500 12.452 ( 0.565 0.000 0.000) 0.565 12.498 ( 6.748 0.000 0.000) 6.748 12.564 ( 9.699 0.000 0.000) 9.699 12.598 ( 3.411 0.000 0.000) 3.411 12.871 ( 0.493 0.000 0.000) 0.493 12.947 ( -4.533 0.000 0.000) 4.533 13.353 ( -3.720 0.000 0.000) 3.720 13.848 ( 3.852 0.000 0.000) 3.852 13.996 ( 1.820 0.000 0.000) 1.820 14.196 ( 1.340 0.000 0.000) 1.340 14.208 ( -1.614 0.000 0.000) 1.614 14.221 ( 4.537 0.000 0.000) 4.537 14.293 ( -0.490 0.000 0.000) 0.490 14.318 ( 0.079 0.000 0.000) 0.079 14.462 ( -4.307 0.000 0.000) 4.307 14.873 ( -2.128 0.000 0.000) 2.128 14.892 ( 1.187 0.000 0.000) 1.187 15.203 ( 4.367 0.000 0.000) 4.367 15.337 ( -9.245 0.000 0.000) 9.245 15.469 ( -3.801 0.000 0.000) 3.801 15.618 ( 0.656 0.000 0.000) 0.656 15.660 ( 3.819 0.000 0.000) 3.819 15.679 ( -0.165 0.000 0.000) 0.165 16.006 ( -0.951 0.000 0.000) 0.951 16.332 ( 0.423 0.000 0.000) 0.423 16.367 ( -2.599 0.000 0.000) 2.599 16.373 ( -9.636 0.000 0.000) 9.636 16.573 ( -7.470 0.000 0.000) 7.470 16.702 ( 13.571 0.000 0.000) 13.571 16.760 ( -0.689 0.000 0.000) 0.689 16.965 ( -2.213 0.000 0.000) 2.213 17.008 ( 11.900 0.000 0.000) 11.900 17.576 ( 13.947 0.000 0.000) 13.947 17.697 ( -2.672 0.000 0.000) 2.672 17.734 ( 2.311 0.000 0.000) 2.311 17.742 ( -2.546 0.000 0.000) 2.546 18.961 ( 5.735 0.000 0.000) 5.735 19.056 ( -9.114 0.000 0.000) 9.114 19.593 ( 0.152 0.000 0.000) 0.152 19.627 ( -0.640 0.000 0.000) 0.640 19.659 ( 0.845 0.000 0.000) 0.845 19.717 ( -0.284 0.000 0.000) 0.284 19.832 ( -8.865 0.000 0.000) 8.865 20.088 ( 3.356 0.000 0.000) 3.356 20.094 ( 1.135 0.000 0.000) 1.135 21.260 ( -1.066 0.000 0.000) 1.066 21.303 ( -1.389 0.000 0.000) 1.389 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 34.122 0.000 0.000) 34.122 1.789 ( 39.852 0.000 0.000) 39.852 2.618 ( 46.695 0.000 0.000) 46.695 2.696 ( -1.316 0.000 0.000) 1.316 2.756 ( -11.439 0.000 0.000) 11.439 2.812 ( 5.545 0.000 0.000) 5.545 2.895 ( 2.505 0.000 0.000) 2.505 3.150 ( -6.567 0.000 0.000) 6.567 3.298 ( 4.338 0.000 0.000) 4.338 3.375 ( -23.116 0.000 0.000) 23.116 3.688 ( -12.029 0.000 0.000) 12.029 3.743 ( 5.017 0.000 0.000) 5.017 3.914 ( -0.449 0.000 0.000) 0.449 3.931 ( -2.149 0.000 0.000) 2.149 3.931 ( 7.657 0.000 0.000) 7.657 3.997 ( -4.412 0.000 0.000) 4.412 4.158 ( -10.286 0.000 0.000) 10.286 4.315 ( -9.803 0.000 0.000) 9.803 4.623 ( 4.331 0.000 0.000) 4.331 4.667 ( 1.546 0.000 0.000) 1.546 4.744 ( 2.038 0.000 0.000) 2.038 4.913 ( -5.102 0.000 0.000) 5.102 4.952 ( 0.916 0.000 0.000) 0.916 5.003 ( 7.080 0.000 0.000) 7.080 5.156 ( -2.701 0.000 0.000) 2.701 5.302 ( -0.485 0.000 0.000) 0.485 5.321 ( 5.990 0.000 0.000) 5.990 5.449 ( 5.041 0.000 0.000) 5.041 5.604 ( -5.561 0.000 0.000) 5.561 5.702 ( -13.932 0.000 0.000) 13.932 5.725 ( 2.922 0.000 0.000) 2.922 5.874 ( -2.158 0.000 0.000) 2.158 6.126 ( 2.658 0.000 0.000) 2.658 6.251 ( 1.346 0.000 0.000) 1.346 6.254 ( -1.839 0.000 0.000) 1.839 6.277 ( 0.731 0.000 0.000) 0.731 6.431 ( 9.343 0.000 0.000) 9.343 6.445 ( -8.148 0.000 0.000) 8.148 6.610 ( 0.005 0.000 0.000) 0.005 6.775 ( 4.677 0.000 0.000) 4.677 6.977 ( 1.988 0.000 0.000) 1.988 7.243 ( 6.449 0.000 0.000) 6.449 7.336 ( -7.097 0.000 0.000) 7.097 7.343 ( -20.931 0.000 0.000) 20.931 7.404 ( -7.061 0.000 0.000) 7.061 7.536 ( -6.874 0.000 0.000) 6.874 7.971 ( 4.927 0.000 0.000) 4.927 8.054 ( -2.945 0.000 0.000) 2.945 8.108 ( 5.315 0.000 0.000) 5.315 8.133 ( 4.736 0.000 0.000) 4.736 8.564 ( 4.761 0.000 0.000) 4.761 8.683 ( -2.341 0.000 0.000) 2.341 8.779 ( -6.086 0.000 0.000) 6.086 8.913 ( -6.998 0.000 0.000) 6.998 9.495 ( -1.065 0.000 0.000) 1.065 9.600 ( 23.523 0.000 0.000) 23.523 9.625 ( -2.381 0.000 0.000) 2.381 9.848 ( 5.551 0.000 0.000) 5.551 10.014 ( -1.758 0.000 0.000) 1.758 10.108 ( -2.328 0.000 0.000) 2.328 10.131 ( -6.729 0.000 0.000) 6.729 10.296 ( 5.387 0.000 0.000) 5.387 10.329 ( -4.212 0.000 0.000) 4.212 10.440 ( 3.022 0.000 0.000) 3.022 10.485 ( -0.163 0.000 0.000) 0.163 10.639 ( -8.241 0.000 0.000) 8.241 10.983 ( 10.489 0.000 0.000) 10.489 11.058 ( 7.575 0.000 0.000) 7.575 11.104 ( 1.258 0.000 0.000) 1.258 11.311 ( -12.616 0.000 0.000) 12.616 11.448 ( -5.491 0.000 0.000) 5.491 11.622 ( -10.948 0.000 0.000) 10.948 12.165 ( 8.145 0.000 0.000) 8.145 12.449 ( -4.646 0.000 0.000) 4.646 12.508 ( 4.940 0.000 0.000) 4.940 12.693 ( 5.223 0.000 0.000) 5.223 12.816 ( -7.533 0.000 0.000) 7.533 12.843 ( 2.964 0.000 0.000) 2.964 12.905 ( 9.064 0.000 0.000) 9.064 13.255 ( -5.515 0.000 0.000) 5.515 13.948 ( 5.290 0.000 0.000) 5.290 14.060 ( 4.182 0.000 0.000) 4.182 14.151 ( -3.350 0.000 0.000) 3.350 14.236 ( 1.912 0.000 0.000) 1.912 14.272 ( -1.977 0.000 0.000) 1.977 14.323 ( 4.183 0.000 0.000) 4.183 14.333 ( 1.473 0.000 0.000) 1.473 14.349 ( -5.622 0.000 0.000) 5.622 14.827 ( -1.475 0.000 0.000) 1.475 14.904 ( -1.125 0.000 0.000) 1.125 15.184 ( -3.792 0.000 0.000) 3.792 15.275 ( -0.792 0.000 0.000) 0.792 15.424 ( 2.703 0.000 0.000) 2.703 15.636 ( 0.988 0.000 0.000) 0.988 15.672 ( -0.530 0.000 0.000) 0.530 15.673 ( -2.859 0.000 0.000) 2.859 16.047 ( 5.038 0.000 0.000) 5.038 16.217 ( -4.446 0.000 0.000) 4.446 16.297 ( -3.332 0.000 0.000) 3.332 16.347 ( 1.077 0.000 0.000) 1.077 16.449 ( -4.387 0.000 0.000) 4.387 16.539 ( -13.617 0.000 0.000) 13.617 17.014 ( 14.283 0.000 0.000) 14.283 17.113 ( 9.306 0.000 0.000) 9.306 17.254 ( 11.034 0.000 0.000) 11.034 17.611 ( -5.569 0.000 0.000) 5.569 17.649 ( -3.160 0.000 0.000) 3.160 17.663 ( -4.702 0.000 0.000) 4.702 18.002 ( 18.783 0.000 0.000) 18.783 18.784 ( -15.915 0.000 0.000) 15.915 19.135 ( 10.142 0.000 0.000) 10.142 19.597 ( 0.291 0.000 0.000) 0.291 19.615 ( -0.527 0.000 0.000) 0.527 19.618 ( -11.207 0.000 0.000) 11.207 19.677 ( 0.861 0.000 0.000) 0.861 19.708 ( -0.550 0.000 0.000) 0.550 20.121 ( 1.299 0.000 0.000) 1.299 20.136 ( 1.183 0.000 0.000) 1.183 21.239 ( -0.697 0.000 0.000) 0.697 21.267 ( -1.754 0.000 0.000) 1.754 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -28.674 0.000 0.000) 28.674 2.216 ( 28.674 0.000 0.000) 28.674 2.524 ( -24.533 0.000 0.000) 24.533 2.524 ( 24.533 0.000 0.000) 24.533 2.892 ( -8.598 0.000 0.000) 8.598 2.892 ( 8.598 0.000 0.000) 8.598 3.025 ( -8.505 0.000 0.000) 8.505 3.025 ( 8.505 0.000 0.000) 8.505 3.452 ( -9.842 0.000 0.000) 9.842 3.452 ( 9.842 0.000 0.000) 9.842 3.622 ( -34.419 0.000 0.000) 34.419 3.622 ( 34.419 0.000 0.000) 34.419 3.850 ( -4.763 0.000 0.000) 4.763 3.850 ( 4.763 0.000 0.000) 4.763 3.979 ( -4.793 0.000 0.000) 4.793 3.979 ( 4.793 0.000 0.000) 4.793 4.101 ( -7.736 0.000 0.000) 7.736 4.101 ( 7.736 0.000 0.000) 7.736 4.687 ( -0.370 0.000 0.000) 0.370 4.687 ( 0.370 0.000 0.000) 0.370 4.794 ( -3.826 0.000 0.000) 3.826 4.794 ( 3.826 0.000 0.000) 3.826 5.043 ( -6.895 0.000 0.000) 6.895 5.043 ( 6.895 0.000 0.000) 6.895 5.195 ( -9.387 0.000 0.000) 9.387 5.195 ( 9.387 0.000 0.000) 9.387 5.458 ( -7.603 0.000 0.000) 7.603 5.458 ( 7.603 0.000 0.000) 7.603 5.520 ( -2.697 0.000 0.000) 2.697 5.520 ( 2.697 0.000 0.000) 2.697 5.801 ( -4.163 0.000 0.000) 4.163 5.801 ( 4.163 0.000 0.000) 4.163 6.202 ( -4.393 0.000 0.000) 4.393 6.202 ( 4.393 0.000 0.000) 4.393 6.239 ( -1.318 0.000 0.000) 1.318 6.239 ( 1.318 0.000 0.000) 1.318 6.503 ( -8.705 0.000 0.000) 8.705 6.503 ( 8.705 0.000 0.000) 8.705 6.727 ( -12.354 0.000 0.000) 12.354 6.727 ( 12.354 0.000 0.000) 12.354 7.034 ( -5.557 0.000 0.000) 5.557 7.034 ( 5.557 0.000 0.000) 5.557 7.285 ( -2.627 0.000 0.000) 2.627 7.285 ( 2.627 0.000 0.000) 2.627 7.395 ( -7.039 0.000 0.000) 7.039 7.395 ( 7.039 0.000 0.000) 7.039 8.016 ( -0.792 0.000 0.000) 0.792 8.016 ( 0.792 0.000 0.000) 0.792 8.176 ( -0.788 0.000 0.000) 0.788 8.176 ( 0.788 0.000 0.000) 0.788 8.664 ( -4.943 0.000 0.000) 4.943 8.664 ( 4.943 0.000 0.000) 4.943 8.747 ( -7.169 0.000 0.000) 7.169 8.747 ( 7.169 0.000 0.000) 7.169 9.535 ( -4.423 0.000 0.000) 4.423 9.535 ( 4.423 0.000 0.000) 4.423 9.967 ( -3.690 0.000 0.000) 3.690 9.967 ( 3.690 0.000 0.000) 3.690 10.056 ( -0.861 0.000 0.000) 0.861 10.056 ( 0.861 0.000 0.000) 0.861 10.074 ( -19.747 0.000 0.000) 19.747 10.074 ( 19.747 0.000 0.000) 19.747 10.418 ( -4.645 0.000 0.000) 4.645 10.418 ( 4.645 0.000 0.000) 4.645 10.499 ( -2.384 0.000 0.000) 2.384 10.499 ( 2.384 0.000 0.000) 2.384 11.146 ( -3.681 0.000 0.000) 3.681 11.146 ( 3.681 0.000 0.000) 3.681 11.190 ( -0.417 0.000 0.000) 0.417 11.190 ( 0.417 0.000 0.000) 0.417 11.387 ( -6.806 0.000 0.000) 6.806 11.387 ( 6.806 0.000 0.000) 6.806 12.326 ( -6.923 0.000 0.000) 6.923 12.326 ( 6.923 0.000 0.000) 6.923 12.649 ( -7.884 0.000 0.000) 7.884 12.649 ( 7.884 0.000 0.000) 7.884 12.797 ( -4.196 0.000 0.000) 4.196 12.797 ( 4.196 0.000 0.000) 4.196 13.115 ( -8.161 0.000 0.000) 8.161 13.115 ( 8.161 0.000 0.000) 8.161 14.056 ( -4.722 0.000 0.000) 4.722 14.056 ( 4.722 0.000 0.000) 4.722 14.178 ( -5.850 0.000 0.000) 5.850 14.178 ( 5.850 0.000 0.000) 5.850 14.275 ( -1.945 0.000 0.000) 1.945 14.275 ( 1.945 0.000 0.000) 1.945 14.363 ( -0.479 0.000 0.000) 0.479 14.363 ( 0.479 0.000 0.000) 0.479 14.843 ( -3.046 0.000 0.000) 3.046 14.843 ( 3.046 0.000 0.000) 3.046 15.198 ( -3.865 0.000 0.000) 3.865 15.198 ( 3.865 0.000 0.000) 3.865 15.556 ( -7.284 0.000 0.000) 7.284 15.556 ( 7.284 0.000 0.000) 7.284 15.657 ( -0.899 0.000 0.000) 0.899 15.657 ( 0.899 0.000 0.000) 0.899 16.168 ( -2.921 0.000 0.000) 2.921 16.168 ( 2.921 0.000 0.000) 2.921 16.294 ( -6.771 0.000 0.000) 6.771 16.294 ( 6.771 0.000 0.000) 6.771 16.381 ( -2.263 0.000 0.000) 2.263 16.381 ( 2.263 0.000 0.000) 2.263 17.217 ( -2.368 0.000 0.000) 2.368 17.217 ( 2.368 0.000 0.000) 2.368 17.462 ( -8.571 0.000 0.000) 8.571 17.462 ( 8.571 0.000 0.000) 8.571 17.590 ( -0.204 0.000 0.000) 0.204 17.590 ( 0.204 0.000 0.000) 0.204 18.408 ( -19.140 0.000 0.000) 19.140 18.408 ( 19.140 0.000 0.000) 19.140 19.371 ( -11.887 0.000 0.000) 11.887 19.371 ( 11.887 0.000 0.000) 11.887 19.605 ( -0.413 0.000 0.000) 0.413 19.605 ( 0.413 0.000 0.000) 0.413 19.694 ( -0.758 0.000 0.000) 0.758 19.694 ( 0.758 0.000 0.000) 0.758 20.142 ( -0.476 0.000 0.000) 0.476 20.142 ( 0.476 0.000 0.000) 0.476 21.239 ( -0.768 0.000 0.000) 0.768 21.239 ( 0.768 0.000 0.000) 0.768 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.000 36.343 0.000) 36.343 0.785 ( 0.000 38.251 0.000) 38.251 1.321 ( 0.000 63.828 0.000) 63.828 2.640 ( 0.000 0.190 0.000) 0.190 2.669 ( 0.000 -8.453 0.000) 8.453 2.816 ( 0.000 -1.527 0.000) 1.527 3.269 ( 0.000 0.363 0.000) 0.363 3.316 ( 0.000 4.986 0.000) 4.986 3.319 ( 0.000 4.334 0.000) 4.334 3.493 ( 0.000 -4.591 0.000) 4.591 3.666 ( 0.000 5.037 0.000) 5.037 3.752 ( 0.000 -0.548 0.000) 0.548 3.926 ( 0.000 -4.252 0.000) 4.252 4.030 ( 0.000 6.147 0.000) 6.147 4.129 ( 0.000 6.491 0.000) 6.491 4.371 ( 0.000 -2.709 0.000) 2.709 4.501 ( 0.000 -2.449 0.000) 2.449 4.675 ( 0.000 4.250 0.000) 4.250 4.733 ( 0.000 4.668 0.000) 4.668 4.829 ( 0.000 -4.288 0.000) 4.288 4.858 ( 0.000 1.485 0.000) 1.485 4.921 ( 0.000 -1.840 0.000) 1.840 4.980 ( 0.000 -3.098 0.000) 3.098 4.995 ( 0.000 1.504 0.000) 1.504 5.053 ( 0.000 -2.752 0.000) 2.752 5.085 ( 0.000 7.024 0.000) 7.024 5.145 ( 0.000 -6.711 0.000) 6.711 5.186 ( 0.000 1.394 0.000) 1.394 5.484 ( 0.000 -10.863 0.000) 10.863 5.721 ( 0.000 -4.166 0.000) 4.166 5.894 ( 0.000 -1.398 0.000) 1.398 6.037 ( 0.000 1.008 0.000) 1.008 6.054 ( 0.000 -0.889 0.000) 0.889 6.098 ( 0.000 2.266 0.000) 2.266 6.302 ( 0.000 5.984 0.000) 5.984 6.346 ( 0.000 -6.017 0.000) 6.017 6.513 ( 0.000 -0.900 0.000) 0.900 6.520 ( 0.000 3.395 0.000) 3.395 6.685 ( 0.000 3.829 0.000) 3.829 6.987 ( 0.000 1.067 0.000) 1.067 6.998 ( 0.000 2.310 0.000) 2.310 7.134 ( 0.000 -0.351 0.000) 0.351 7.393 ( 0.000 -6.687 0.000) 6.687 7.539 ( 0.000 -13.467 0.000) 13.467 7.618 ( 0.000 3.848 0.000) 3.848 7.739 ( 0.000 5.747 0.000) 5.747 7.895 ( 0.000 4.164 0.000) 4.164 8.103 ( 0.000 2.976 0.000) 2.976 8.323 ( 0.000 -6.034 0.000) 6.034 8.387 ( 0.000 11.105 0.000) 11.105 8.624 ( 0.000 -2.367 0.000) 2.367 8.656 ( 0.000 -5.350 0.000) 5.350 8.871 ( 0.000 -5.882 0.000) 5.882 8.917 ( 0.000 0.664 0.000) 0.664 9.135 ( 0.000 1.774 0.000) 1.774 9.187 ( 0.000 0.581 0.000) 0.581 9.541 ( 0.000 -3.473 0.000) 3.473 9.694 ( 0.000 -3.956 0.000) 3.956 9.918 ( 0.000 5.321 0.000) 5.321 9.998 ( 0.000 -2.244 0.000) 2.244 10.154 ( 0.000 -3.550 0.000) 3.550 10.175 ( 0.000 -13.751 0.000) 13.751 10.438 ( 0.000 0.035 0.000) 0.035 10.469 ( 0.000 2.607 0.000) 2.607 10.555 ( 0.000 4.262 0.000) 4.262 10.671 ( 0.000 -3.503 0.000) 3.503 10.739 ( 0.000 -7.505 0.000) 7.505 11.083 ( 0.000 0.039 0.000) 0.039 11.141 ( 0.000 -0.456 0.000) 0.456 11.360 ( 0.000 13.929 0.000) 13.929 11.383 ( 0.000 -9.974 0.000) 9.974 11.916 ( 0.000 3.442 0.000) 3.442 12.154 ( 0.000 -0.018 0.000) 0.018 12.344 ( 0.000 -5.506 0.000) 5.506 12.392 ( 0.000 8.023 0.000) 8.023 12.474 ( 0.000 1.883 0.000) 1.883 12.624 ( 0.000 4.258 0.000) 4.258 12.862 ( 0.000 -0.133 0.000) 0.133 12.912 ( 0.000 -7.400 0.000) 7.400 13.332 ( 0.000 -6.108 0.000) 6.108 13.847 ( 0.000 3.753 0.000) 3.753 14.004 ( 0.000 2.286 0.000) 2.286 14.175 ( 0.000 2.611 0.000) 2.611 14.185 ( 0.000 0.546 0.000) 0.546 14.204 ( 0.000 -2.049 0.000) 2.049 14.230 ( 0.000 0.951 0.000) 0.951 14.314 ( 0.000 1.425 0.000) 1.425 14.495 ( 0.000 -1.462 0.000) 1.462 14.911 ( 0.000 3.044 0.000) 3.044 14.915 ( 0.000 1.729 0.000) 1.729 15.431 ( 0.000 -3.991 0.000) 3.991 15.489 ( 0.000 -4.507 0.000) 4.507 15.609 ( 0.000 6.186 0.000) 6.186 15.615 ( 0.000 0.404 0.000) 0.404 15.676 ( 0.000 -0.391 0.000) 0.391 15.978 ( 0.000 -3.187 0.000) 3.187 16.209 ( 0.000 -6.437 0.000) 6.437 16.320 ( 0.000 -4.721 0.000) 4.721 16.355 ( 0.000 2.739 0.000) 2.739 16.362 ( 0.000 12.494 0.000) 12.494 16.658 ( 0.000 6.345 0.000) 6.345 16.747 ( 0.000 8.567 0.000) 8.567 16.756 ( 0.000 -3.122 0.000) 3.122 16.821 ( 0.000 7.311 0.000) 7.311 17.046 ( 0.000 -5.117 0.000) 5.117 17.372 ( 0.000 -3.199 0.000) 3.199 17.395 ( 0.000 1.486 0.000) 1.486 17.667 ( 0.000 -5.597 0.000) 5.597 17.685 ( 0.000 -2.786 0.000) 2.786 17.750 ( 0.000 -1.737 0.000) 1.737 19.171 ( 0.000 1.470 0.000) 1.470 19.591 ( 0.000 0.098 0.000) 0.098 19.636 ( 0.000 -0.385 0.000) 0.385 19.650 ( 0.000 -10.419 0.000) 10.419 19.652 ( 0.000 0.787 0.000) 0.787 19.717 ( 0.000 -0.350 0.000) 0.350 20.189 ( 0.000 14.071 0.000) 14.071 21.144 ( 0.000 0.401 0.000) 0.401 21.196 ( 0.000 -3.385 0.000) 3.385 21.275 ( 0.000 -3.477 0.000) 3.477 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 32.079 22.129 0.000) 38.971 1.245 ( 29.175 29.182 0.000) 41.264 1.800 ( 42.491 41.396 0.000) 59.322 2.665 ( 0.459 -5.679 0.000) 5.698 2.694 ( 4.281 -0.337 0.000) 4.294 2.846 ( 2.464 -1.037 0.000) 2.674 3.226 ( -6.667 12.472 0.000) 14.142 3.266 ( -3.510 3.190 0.000) 4.743 3.315 ( -1.188 4.147 0.000) 4.314 3.505 ( 3.119 -14.996 0.000) 15.317 3.692 ( -7.148 -0.950 0.000) 7.211 3.702 ( 3.187 4.831 0.000) 5.788 3.870 ( -5.798 -3.566 0.000) 6.807 4.027 ( -0.397 3.883 0.000) 3.904 4.109 ( -1.370 5.759 0.000) 5.920 4.301 ( -10.107 4.594 0.000) 11.102 4.345 ( -13.062 4.880 0.000) 13.944 4.517 ( -5.583 7.114 0.000) 9.044 4.657 ( -3.419 2.429 0.000) 4.195 4.718 ( -6.633 4.126 0.000) 7.812 4.769 ( -2.511 3.155 0.000) 4.032 4.890 ( 2.827 -3.673 0.000) 4.635 4.953 ( 0.995 1.667 0.000) 1.942 4.971 ( -0.945 1.234 0.000) 1.554 5.137 ( 6.005 -6.634 0.000) 8.948 5.167 ( 1.720 -7.929 0.000) 8.114 5.169 ( 0.091 -0.263 0.000) 0.279 5.317 ( 9.966 3.364 0.000) 10.518 5.534 ( 2.666 -11.604 0.000) 11.907 5.686 ( -3.305 -3.087 0.000) 4.523 5.911 ( -0.209 0.076 0.000) 0.223 5.931 ( -4.194 4.233 0.000) 5.959 6.080 ( 1.454 -0.696 0.000) 1.612 6.151 ( 7.618 3.981 0.000) 8.596 6.323 ( -0.022 4.460 0.000) 4.460 6.359 ( 0.451 -4.945 0.000) 4.965 6.399 ( -9.560 2.593 0.000) 9.906 6.548 ( 3.640 0.474 0.000) 3.670 6.691 ( 1.116 1.089 0.000) 1.560 6.786 ( -14.341 5.570 0.000) 15.384 6.994 ( 0.299 3.318 0.000) 3.331 7.143 ( 1.818 -1.178 0.000) 2.166 7.393 ( -3.603 -7.354 0.000) 8.189 7.547 ( -3.110 -12.888 0.000) 13.258 7.568 ( -3.824 4.298 0.000) 5.753 7.798 ( -4.806 4.647 0.000) 6.685 7.953 ( 5.277 1.283 0.000) 5.431 8.026 ( -5.796 7.884 0.000) 9.786 8.099 ( -3.259 4.007 0.000) 5.164 8.181 ( -7.229 5.847 0.000) 9.297 8.521 ( -0.311 2.542 0.000) 2.561 8.721 ( -3.092 -6.208 0.000) 6.935 8.804 ( -6.203 -9.355 0.000) 11.225 8.958 ( 1.025 -0.554 0.000) 1.165 9.256 ( 12.243 5.510 0.000) 13.426 9.396 ( 3.437 -11.866 0.000) 12.354 9.580 ( 2.916 -3.869 0.000) 4.844 9.707 ( 1.395 -5.008 0.000) 5.199 9.840 ( -0.787 -4.475 0.000) 4.544 10.145 ( 7.144 3.124 0.000) 7.797 10.206 ( 3.195 -1.745 0.000) 3.641 10.248 ( 4.584 -11.350 0.000) 12.241 10.371 ( -7.455 2.665 0.000) 7.917 10.443 ( 0.540 -0.912 0.000) 1.060 10.560 ( -4.140 9.098 0.000) 9.996 10.595 ( 3.639 1.561 0.000) 3.960 10.779 ( 3.953 -5.993 0.000) 7.179 11.066 ( 0.676 -1.102 0.000) 1.293 11.219 ( -7.576 6.552 0.000) 10.016 11.279 ( 0.903 -15.745 0.000) 15.771 11.442 ( 0.467 -2.417 0.000) 2.462 11.843 ( -6.866 2.430 0.000) 7.283 12.219 ( -2.692 6.016 0.000) 6.591 12.432 ( 8.253 -7.270 0.000) 10.999 12.463 ( 7.682 1.432 0.000) 7.815 12.479 ( 1.118 2.507 0.000) 2.745 12.685 ( 6.707 4.770 0.000) 8.230 12.870 ( 0.809 0.199 0.000) 0.833 12.893 ( -2.103 -4.934 0.000) 5.364 13.319 ( -1.630 -4.023 0.000) 4.340 13.842 ( 0.253 0.406 0.000) 0.478 14.049 ( 3.672 3.877 0.000) 5.340 14.176 ( -2.323 -2.813 0.000) 3.648 14.203 ( 1.195 0.570 0.000) 1.324 14.234 ( 4.446 1.527 0.000) 4.701 14.281 ( 3.190 -0.652 0.000) 3.256 14.306 ( -0.731 1.209 0.000) 1.413 14.458 ( -3.283 -0.524 0.000) 3.324 14.890 ( -1.765 1.401 0.000) 2.253 14.925 ( 0.589 2.997 0.000) 3.054 15.344 ( -7.260 0.843 0.000) 7.309 15.411 ( -3.122 -1.079 0.000) 3.304 15.606 ( -14.578 17.156 0.000) 22.514 15.621 ( 0.547 0.289 0.000) 0.618 15.669 ( -1.004 3.317 0.000) 3.466 15.675 ( -0.146 -0.369 0.000) 0.397 15.978 ( -0.057 -1.668 0.000) 1.669 16.245 ( -1.745 -7.748 0.000) 7.942 16.362 ( 0.631 2.935 0.000) 3.002 16.476 ( -7.946 5.844 0.000) 9.863 16.607 ( -6.912 2.596 0.000) 7.383 16.715 ( 9.110 3.044 0.000) 9.605 16.809 ( -2.755 3.050 0.000) 4.110 17.014 ( 10.936 1.174 0.000) 10.999 17.014 ( 2.068 3.849 0.000) 4.370 17.518 ( 13.458 -5.507 0.000) 14.542 17.621 ( 0.828 -8.474 0.000) 8.514 17.643 ( -2.360 -5.258 0.000) 5.763 17.756 ( 3.413 -0.431 0.000) 3.440 18.268 ( 35.189 -28.536 0.000) 45.305 19.071 ( -9.174 1.489 0.000) 9.294 19.593 ( 0.193 0.131 0.000) 0.233 19.598 ( -5.112 -11.488 0.000) 12.574 19.629 ( -0.491 0.072 0.000) 0.497 19.661 ( 0.637 0.275 0.000) 0.694 19.714 ( -0.283 -0.350 0.000) 0.450 20.211 ( 1.913 13.371 0.000) 13.507 20.721 ( -20.382 19.673 0.000) 28.328 21.237 ( -0.852 -2.101 0.000) 2.267 21.265 ( -1.116 -3.933 0.000) 4.088 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 29.297 25.334 0.000) 38.732 1.909 ( 35.553 10.905 0.000) 37.188 2.683 ( 1.107 -1.759 0.000) 2.079 2.801 ( 42.208 18.359 0.000) 46.028 2.809 ( 4.932 -0.223 0.000) 4.937 2.897 ( 2.617 -0.056 0.000) 2.617 2.958 ( -13.014 18.503 0.000) 22.622 3.163 ( -6.908 1.598 0.000) 7.091 3.300 ( -1.209 1.352 0.000) 1.814 3.413 ( -16.306 2.467 0.000) 16.491 3.631 ( 7.440 -15.863 0.000) 17.521 3.673 ( -11.264 -1.649 0.000) 11.384 3.784 ( 3.898 3.597 0.000) 5.304 3.984 ( -3.963 -0.115 0.000) 3.964 4.045 ( -7.145 5.410 0.000) 8.962 4.112 ( -5.408 1.084 0.000) 5.515 4.163 ( -3.423 8.938 0.000) 9.571 4.386 ( -8.328 5.743 0.000) 10.116 4.625 ( 3.010 0.826 0.000) 3.121 4.698 ( 0.692 2.151 0.000) 2.260 4.775 ( 1.664 2.677 0.000) 3.152 4.924 ( -2.748 1.368 0.000) 3.070 4.951 ( 0.014 0.082 0.000) 0.084 4.992 ( 5.037 -2.291 0.000) 5.534 5.140 ( -3.587 -1.574 0.000) 3.917 5.195 ( 0.220 -8.487 0.000) 8.490 5.274 ( 6.921 -6.236 0.000) 9.316 5.472 ( 4.835 2.293 0.000) 5.352 5.566 ( -1.125 -10.589 0.000) 10.649 5.603 ( -3.735 -0.013 0.000) 3.735 5.802 ( -8.455 5.385 0.000) 10.024 5.870 ( -3.916 0.015 0.000) 3.916 6.119 ( 2.790 -0.529 0.000) 2.840 6.261 ( -0.783 0.722 0.000) 1.065 6.288 ( -2.266 -0.064 0.000) 2.267 6.293 ( -1.861 2.848 0.000) 3.402 6.432 ( 13.226 1.100 0.000) 13.272 6.528 ( -6.932 7.277 0.000) 10.050 6.631 ( 1.147 2.518 0.000) 2.767 6.757 ( 4.484 -1.581 0.000) 4.755 7.009 ( 0.425 2.539 0.000) 2.574 7.205 ( 2.930 -4.753 0.000) 5.583 7.290 ( -3.152 -2.021 0.000) 3.744 7.301 ( -17.134 -3.628 0.000) 17.514 7.462 ( -6.120 4.627 0.000) 7.672 7.585 ( -9.282 4.168 0.000) 10.175 8.015 ( 2.699 4.147 0.000) 4.948 8.094 ( -2.227 3.739 0.000) 4.352 8.099 ( 6.393 -0.590 0.000) 6.420 8.164 ( 3.726 2.355 0.000) 4.408 8.534 ( 0.928 -4.703 0.000) 4.794 8.627 ( -2.285 -4.801 0.000) 5.318 8.665 ( -6.100 -10.482 0.000) 12.128 8.857 ( -7.993 -5.435 0.000) 9.666 9.401 ( 0.288 -6.736 0.000) 6.742 9.561 ( -4.373 -4.838 0.000) 6.522 9.659 ( 21.722 5.379 0.000) 22.378 9.762 ( 3.659 -5.416 0.000) 6.537 9.874 ( 1.382 -7.862 0.000) 7.983 10.172 ( -2.993 3.184 0.000) 4.370 10.244 ( -1.653 7.465 0.000) 7.646 10.277 ( -2.861 -5.345 0.000) 6.063 10.327 ( 5.853 0.812 0.000) 5.909 10.461 ( 1.158 -0.998 0.000) 1.529 10.515 ( -1.682 5.495 0.000) 5.747 10.614 ( -4.271 -2.333 0.000) 4.867 10.944 ( 11.851 -2.509 0.000) 12.113 11.087 ( 1.250 -1.601 0.000) 2.031 11.122 ( -0.105 3.259 0.000) 3.261 11.210 ( -4.992 -6.628 0.000) 8.298 11.398 ( -3.897 -2.644 0.000) 4.709 11.638 ( -12.093 0.513 0.000) 12.104 12.234 ( 3.491 4.575 0.000) 5.755 12.415 ( -3.167 -2.772 0.000) 4.209 12.544 ( 5.054 3.320 0.000) 6.047 12.663 ( 6.774 -2.079 0.000) 7.086 12.813 ( -5.487 -0.475 0.000) 5.508 12.830 ( 0.847 -1.381 0.000) 1.621 12.953 ( 9.844 4.326 0.000) 10.753 13.262 ( -3.834 0.169 0.000) 3.838 13.880 ( 3.403 -3.789 0.000) 5.093 14.088 ( -4.191 -4.163 0.000) 5.907 14.149 ( 3.925 4.538 0.000) 6.000 14.237 ( 1.891 0.282 0.000) 1.912 14.284 ( -1.336 1.129 0.000) 1.749 14.330 ( 3.453 0.569 0.000) 3.500 14.336 ( 2.613 0.621 0.000) 2.685 14.371 ( -4.589 1.541 0.000) 4.841 14.847 ( -1.409 1.792 0.000) 2.280 14.926 ( -1.436 1.913 0.000) 2.392 15.213 ( -3.094 2.799 0.000) 4.172 15.379 ( -7.792 6.407 0.000) 10.088 15.430 ( 4.092 2.038 0.000) 4.571 15.636 ( 0.870 0.049 0.000) 0.871 15.652 ( -3.009 -1.769 0.000) 3.490 15.669 ( -0.493 -0.305 0.000) 0.580 16.029 ( 5.061 -0.854 0.000) 5.132 16.196 ( -2.143 -2.515 0.000) 3.304 16.337 ( -4.723 4.066 0.000) 6.232 16.383 ( 1.369 3.391 0.000) 3.657 16.491 ( -4.256 3.653 0.000) 5.609 16.541 ( -13.049 0.065 0.000) 13.049 17.012 ( 12.508 0.939 0.000) 12.543 17.167 ( 7.723 3.879 0.000) 8.642 17.240 ( 10.155 -1.063 0.000) 10.211 17.566 ( -5.002 -4.303 0.000) 6.598 17.569 ( -1.889 -5.454 0.000) 5.771 17.662 ( -1.870 -2.031 0.000) 2.761 18.001 ( 18.326 0.223 0.000) 18.327 18.746 ( -2.604 -10.826 0.000) 11.135 18.866 ( 5.827 -10.308 0.000) 11.841 19.432 ( -10.435 -12.972 0.000) 16.648 19.599 ( 0.356 0.216 0.000) 0.417 19.619 ( -0.515 0.296 0.000) 0.594 19.676 ( 0.750 -0.088 0.000) 0.755 19.705 ( -0.536 -0.336 0.000) 0.632 20.260 ( 2.599 12.733 0.000) 12.996 20.436 ( -8.072 17.650 0.000) 19.408 21.213 ( -0.941 -2.487 0.000) 2.659 21.234 ( -1.603 -3.493 0.000) 3.844 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -26.350 20.999 0.000) 33.694 2.455 ( 26.350 20.999 0.000) 33.694 2.567 ( -21.129 3.695 0.000) 21.450 2.567 ( 21.129 3.695 0.000) 21.450 2.875 ( -6.713 -1.511 0.000) 6.881 2.875 ( 6.713 -1.511 0.000) 6.881 3.068 ( -7.144 4.316 0.000) 8.346 3.068 ( 7.144 4.316 0.000) 8.346 3.453 ( -8.911 -0.205 0.000) 8.913 3.453 ( 8.911 -0.205 0.000) 8.913 3.655 ( -23.970 1.639 0.000) 24.026 3.655 ( 23.970 1.639 0.000) 24.026 3.814 ( -6.307 -2.664 0.000) 6.847 3.814 ( 6.307 -2.664 0.000) 6.847 3.975 ( -4.349 3.038 0.000) 5.305 3.975 ( 4.349 3.038 0.000) 5.305 4.211 ( -5.702 7.909 0.000) 9.750 4.211 ( 5.702 7.909 0.000) 9.750 4.693 ( -1.877 0.522 0.000) 1.949 4.693 ( 1.877 0.522 0.000) 1.949 4.826 ( -3.992 2.583 0.000) 4.755 4.826 ( 3.992 2.583 0.000) 4.755 5.020 ( -6.314 -2.028 0.000) 6.632 5.020 ( 6.314 -2.028 0.000) 6.632 5.134 ( -6.291 -5.886 0.000) 8.615 5.134 ( 6.291 -5.886 0.000) 8.615 5.427 ( -8.080 -4.274 0.000) 9.141 5.427 ( 8.080 -4.274 0.000) 9.141 5.542 ( -2.456 2.100 0.000) 3.231 5.542 ( 2.456 2.100 0.000) 3.231 5.773 ( -4.189 -0.533 0.000) 4.223 5.773 ( 4.189 -0.533 0.000) 4.223 6.198 ( -4.539 -0.554 0.000) 4.572 6.198 ( 4.539 -0.554 0.000) 4.572 6.265 ( -0.929 1.622 0.000) 1.870 6.265 ( 0.929 1.622 0.000) 1.870 6.555 ( -6.636 4.908 0.000) 8.254 6.555 ( 6.636 4.908 0.000) 8.254 6.740 ( -11.069 1.252 0.000) 11.140 6.740 ( 11.069 1.252 0.000) 11.140 7.023 ( -4.372 -0.678 0.000) 4.424 7.023 ( 4.372 -0.678 0.000) 4.424 7.249 ( -3.317 -3.558 0.000) 4.864 7.249 ( 3.317 -3.558 0.000) 4.864 7.437 ( -4.977 4.302 0.000) 6.579 7.437 ( 4.977 4.302 0.000) 6.579 8.058 ( -1.733 3.801 0.000) 4.177 8.058 ( 1.733 3.801 0.000) 4.177 8.189 ( -1.707 1.017 0.000) 1.987 8.189 ( 1.707 1.017 0.000) 1.987 8.569 ( -2.866 -9.793 0.000) 10.204 8.569 ( 2.866 -9.793 0.000) 10.204 8.685 ( -7.012 -5.722 0.000) 9.050 8.685 ( 7.012 -5.722 0.000) 9.050 9.454 ( -4.628 -5.217 0.000) 6.974 9.454 ( 4.628 -5.217 0.000) 6.974 9.840 ( -3.509 -7.072 0.000) 7.894 9.840 ( 3.509 -7.072 0.000) 7.894 10.078 ( -16.253 0.384 0.000) 16.258 10.078 ( 16.253 0.384 0.000) 16.258 10.188 ( -3.287 6.270 0.000) 7.079 10.188 ( 3.287 6.270 0.000) 7.079 10.446 ( -4.865 2.737 0.000) 5.582 10.446 ( 4.865 2.737 0.000) 5.582 10.504 ( -3.611 0.332 0.000) 3.627 10.504 ( 3.611 0.332 0.000) 3.627 11.126 ( -2.729 -1.676 0.000) 3.202 11.126 ( 2.729 -1.676 0.000) 3.202 11.147 ( -2.865 -3.687 0.000) 4.670 11.147 ( 2.865 -3.687 0.000) 4.670 11.390 ( -7.942 0.152 0.000) 7.944 11.390 ( 7.942 0.152 0.000) 7.944 12.328 ( -4.771 0.123 0.000) 4.773 12.328 ( 4.771 0.123 0.000) 4.773 12.676 ( -6.976 2.476 0.000) 7.403 12.676 ( 6.976 2.476 0.000) 7.403 12.781 ( -4.362 -1.619 0.000) 4.653 12.781 ( 4.362 -1.619 0.000) 4.653 13.147 ( -7.351 2.902 0.000) 7.903 13.147 ( 7.351 2.902 0.000) 7.903 13.977 ( -5.471 -5.407 0.000) 7.692 13.977 ( 5.471 -5.407 0.000) 7.692 14.238 ( -3.505 3.178 0.000) 4.731 14.238 ( 3.505 3.178 0.000) 4.732 14.285 ( -3.001 1.312 0.000) 3.275 14.285 ( 3.001 1.312 0.000) 3.275 14.369 ( -0.560 0.521 0.000) 0.764 14.369 ( 0.560 0.521 0.000) 0.764 14.864 ( -2.999 1.879 0.000) 3.539 14.864 ( 2.999 1.879 0.000) 3.539 15.242 ( -4.838 3.948 0.000) 6.245 15.242 ( 4.838 3.948 0.000) 6.245 15.548 ( -6.138 -0.994 0.000) 6.218 15.548 ( 6.138 -0.994 0.000) 6.218 15.655 ( -0.823 -0.169 0.000) 0.841 15.655 ( 0.823 -0.169 0.000) 0.841 16.151 ( -3.976 -0.814 0.000) 4.059 16.151 ( 3.976 -0.814 0.000) 4.059 16.320 ( -5.354 1.902 0.000) 5.681 16.320 ( 5.354 1.902 0.000) 5.681 16.422 ( -2.440 3.765 0.000) 4.487 16.422 ( 2.440 3.765 0.000) 4.487 17.213 ( -4.883 -0.321 0.000) 4.894 17.213 ( 4.883 -0.321 0.000) 4.894 17.431 ( -7.820 -2.870 0.000) 8.330 17.431 ( 7.820 -2.870 0.000) 8.330 17.582 ( -3.887 -0.775 0.000) 3.964 17.582 ( 3.887 -0.775 0.000) 3.964 18.406 ( -19.195 0.025 0.000) 19.195 18.406 ( 19.195 0.025 0.000) 19.195 19.171 ( -14.132 -15.340 0.000) 20.857 19.171 ( 14.132 -15.340 0.000) 20.857 19.608 ( -0.466 0.301 0.000) 0.555 19.608 ( 0.466 0.301 0.000) 0.555 19.692 ( -0.708 -0.267 0.000) 0.756 19.692 ( 0.708 -0.267 0.000) 0.756 20.322 ( -3.622 13.828 0.000) 14.295 20.322 ( 3.622 13.828 0.000) 14.295 21.208 ( -0.585 -3.053 0.000) 3.109 21.208 ( 0.585 -3.053 0.000) 3.109 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.000 31.677 0.000) 31.677 1.542 ( 0.000 36.221 0.000) 36.221 2.425 ( 0.000 -15.713 0.000) 15.713 2.549 ( 0.000 53.128 0.000) 53.128 2.654 ( 0.000 1.342 0.000) 1.342 2.765 ( 0.000 -3.267 0.000) 3.267 2.885 ( 0.000 -22.747 0.000) 22.747 3.429 ( 0.000 5.825 0.000) 5.825 3.434 ( 0.000 5.946 0.000) 5.946 3.725 ( 0.000 -2.105 0.000) 2.105 3.787 ( 0.000 6.235 0.000) 6.235 3.810 ( 0.000 -6.532 0.000) 6.532 3.816 ( 0.000 20.296 0.000) 20.296 4.086 ( 0.000 1.933 0.000) 1.933 4.276 ( 0.000 3.667 0.000) 3.667 4.347 ( 0.000 1.125 0.000) 1.125 4.453 ( 0.000 -5.704 0.000) 5.704 4.490 ( 0.000 -21.753 0.000) 21.753 4.770 ( 0.000 4.364 0.000) 4.364 4.817 ( 0.000 1.180 0.000) 1.180 4.881 ( 0.000 -1.930 0.000) 1.930 4.910 ( 0.000 3.896 0.000) 3.896 4.929 ( 0.000 -5.904 0.000) 5.904 4.983 ( 0.000 -2.581 0.000) 2.581 5.029 ( 0.000 -3.687 0.000) 3.687 5.045 ( 0.000 3.356 0.000) 3.356 5.173 ( 0.000 -0.857 0.000) 0.857 5.214 ( 0.000 -13.386 0.000) 13.386 5.304 ( 0.000 11.294 0.000) 11.294 5.629 ( 0.000 -4.688 0.000) 4.688 5.885 ( 0.000 0.979 0.000) 0.979 6.010 ( 0.000 -3.369 0.000) 3.369 6.052 ( 0.000 1.234 0.000) 1.234 6.202 ( 0.000 7.937 0.000) 7.937 6.225 ( 0.000 -5.918 0.000) 5.918 6.410 ( 0.000 3.579 0.000) 3.579 6.489 ( 0.000 -1.393 0.000) 1.393 6.649 ( 0.000 -8.119 0.000) 8.119 6.662 ( 0.000 10.859 0.000) 10.859 7.022 ( 0.000 1.282 0.000) 1.282 7.064 ( 0.000 4.117 0.000) 4.117 7.099 ( 0.000 -2.750 0.000) 2.750 7.255 ( 0.000 -6.527 0.000) 6.527 7.299 ( 0.000 -9.020 0.000) 9.020 7.738 ( 0.000 7.694 0.000) 7.694 7.863 ( 0.000 5.690 0.000) 5.690 7.996 ( 0.000 5.191 0.000) 5.191 8.178 ( 0.000 -7.502 0.000) 7.502 8.190 ( 0.000 6.196 0.000) 6.196 8.523 ( 0.000 -7.388 0.000) 7.388 8.524 ( 0.000 -6.347 0.000) 6.347 8.623 ( 0.000 11.157 0.000) 11.157 8.666 ( 0.000 -11.855 0.000) 11.855 8.921 ( 0.000 -1.894 0.000) 1.894 9.237 ( 0.000 6.558 0.000) 6.558 9.255 ( 0.000 7.610 0.000) 7.610 9.456 ( 0.000 -4.592 0.000) 4.592 9.648 ( 0.000 -0.009 0.000) 0.009 9.843 ( 0.000 -17.719 0.000) 17.719 9.880 ( 0.000 -8.599 0.000) 8.599 10.008 ( 0.000 3.610 0.000) 3.610 10.103 ( 0.000 -1.579 0.000) 1.579 10.446 ( 0.000 0.897 0.000) 0.897 10.528 ( 0.000 2.786 0.000) 2.786 10.562 ( 0.000 -4.377 0.000) 4.377 10.609 ( 0.000 -2.278 0.000) 2.278 10.725 ( 0.000 6.984 0.000) 6.984 11.087 ( 0.000 0.397 0.000) 0.397 11.124 ( 0.000 -1.126 0.000) 1.126 11.152 ( 0.000 -12.099 0.000) 12.099 11.637 ( 0.000 12.685 0.000) 12.685 11.947 ( 0.000 -1.189 0.000) 1.189 12.152 ( 0.000 0.088 0.000) 0.088 12.238 ( 0.000 -4.498 0.000) 4.498 12.525 ( 0.000 3.074 0.000) 3.074 12.598 ( 0.000 10.889 0.000) 10.889 12.702 ( 0.000 3.199 0.000) 3.199 12.743 ( 0.000 -8.234 0.000) 8.234 12.862 ( 0.000 0.555 0.000) 0.555 13.163 ( 0.000 -10.067 0.000) 10.067 13.934 ( 0.000 4.427 0.000) 4.427 14.050 ( 0.000 1.192 0.000) 1.192 14.161 ( 0.000 -1.366 0.000) 1.366 14.191 ( 0.000 -0.184 0.000) 0.184 14.232 ( 0.000 2.462 0.000) 2.462 14.253 ( 0.000 1.049 0.000) 1.049 14.351 ( 0.000 2.166 0.000) 2.166 14.454 ( 0.000 -2.506 0.000) 2.506 14.965 ( 0.000 2.962 0.000) 2.962 14.983 ( 0.000 3.362 0.000) 3.362 15.354 ( 0.000 -3.385 0.000) 3.385 15.381 ( 0.000 -5.363 0.000) 5.363 15.627 ( 0.000 0.826 0.000) 0.826 15.665 ( 0.000 -0.771 0.000) 0.771 15.762 ( 0.000 8.578 0.000) 8.578 15.948 ( 0.000 0.770 0.000) 0.770 16.061 ( 0.000 -7.270 0.000) 7.270 16.199 ( 0.000 -7.610 0.000) 7.610 16.436 ( 0.000 5.025 0.000) 5.025 16.637 ( 0.000 13.053 0.000) 13.053 16.668 ( 0.000 -5.326 0.000) 5.326 16.828 ( 0.000 10.247 0.000) 10.247 16.905 ( 0.000 3.533 0.000) 3.533 16.972 ( 0.000 0.742 0.000) 0.742 17.020 ( 0.000 11.711 0.000) 11.711 17.279 ( 0.000 -5.670 0.000) 5.670 17.338 ( 0.000 -7.554 0.000) 7.554 17.505 ( 0.000 -10.131 0.000) 10.131 17.649 ( 0.000 -0.152 0.000) 0.152 17.707 ( 0.000 -2.282 0.000) 2.282 19.218 ( 0.000 3.302 0.000) 3.302 19.455 ( 0.000 -8.551 0.000) 8.551 19.597 ( 0.000 0.492 0.000) 0.492 19.625 ( 0.000 -0.679 0.000) 0.679 19.671 ( 0.000 0.992 0.000) 0.992 19.706 ( 0.000 -0.651 0.000) 0.651 20.491 ( 0.000 15.360 0.000) 15.360 21.051 ( 0.000 -10.494 0.000) 10.494 21.158 ( 0.000 0.997 0.000) 0.997 21.220 ( 0.000 -1.994 0.000) 1.994 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 19.470 25.291 0.000) 31.917 1.831 ( 23.443 29.159 0.000) 37.414 2.477 ( 4.708 -12.699 0.000) 13.544 2.705 ( 4.482 1.220 0.000) 4.645 2.775 ( 20.325 42.775 0.000) 47.358 2.804 ( 3.427 -2.830 0.000) 4.444 3.000 ( 10.691 -16.153 0.000) 19.371 3.364 ( -5.127 5.833 0.000) 7.766 3.410 ( -2.713 4.603 0.000) 5.343 3.660 ( -6.452 -1.958 0.000) 6.743 3.731 ( -9.078 22.717 0.000) 24.464 3.766 ( -4.626 -6.336 0.000) 7.846 3.822 ( 2.782 6.284 0.000) 6.872 4.062 ( -0.862 -1.110 0.000) 1.405 4.145 ( -8.604 -0.525 0.000) 8.620 4.367 ( -4.413 1.348 0.000) 4.614 4.408 ( -2.287 5.146 0.000) 5.631 4.593 ( 9.009 -24.938 0.000) 26.515 4.667 ( -9.517 3.228 0.000) 10.049 4.722 ( -4.240 3.416 0.000) 5.445 4.780 ( -5.239 1.373 0.000) 5.416 4.845 ( -3.055 1.805 0.000) 3.549 4.939 ( -1.815 -8.667 0.000) 8.855 4.963 ( 0.310 -2.126 0.000) 2.148 5.030 ( -1.999 4.356 0.000) 4.793 5.092 ( 4.461 -0.550 0.000) 4.494 5.158 ( -1.349 -1.065 0.000) 1.719 5.280 ( 4.652 -10.629 0.000) 11.602 5.413 ( 7.153 5.907 0.000) 9.277 5.615 ( -1.000 -3.643 0.000) 3.778 5.906 ( 1.204 0.310 0.000) 1.243 5.971 ( -2.625 -0.637 0.000) 2.701 6.079 ( 1.654 1.075 0.000) 1.973 6.250 ( 1.466 -5.421 0.000) 5.615 6.269 ( 7.169 7.357 0.000) 10.272 6.390 ( -2.977 2.005 0.000) 3.589 6.438 ( -5.896 0.095 0.000) 5.896 6.638 ( 0.646 9.262 0.000) 9.284 6.639 ( 0.253 -6.637 0.000) 6.641 6.921 ( -8.475 6.309 0.000) 10.566 7.073 ( 0.564 4.296 0.000) 4.333 7.079 ( -0.752 -4.507 0.000) 4.570 7.269 ( -0.587 -5.381 0.000) 5.413 7.319 ( 0.051 -9.105 0.000) 9.105 7.697 ( -3.719 8.120 0.000) 8.931 7.857 ( -3.396 2.199 0.000) 4.045 7.985 ( -0.545 0.737 0.000) 0.917 8.151 ( 1.220 0.742 0.000) 1.428 8.158 ( -2.639 6.605 0.000) 7.113 8.330 ( -10.480 5.587 0.000) 11.876 8.424 ( -6.218 -9.013 0.000) 10.950 8.607 ( -6.347 -9.989 0.000) 11.835 8.615 ( -3.499 -2.410 0.000) 4.249 8.872 ( -6.185 -7.148 0.000) 9.453 9.292 ( 3.070 2.050 0.000) 3.691 9.428 ( 15.521 10.753 0.000) 18.882 9.484 ( 2.063 -4.773 0.000) 5.200 9.651 ( 0.637 -0.953 0.000) 1.147 9.767 ( -4.535 -4.265 0.000) 6.225 9.967 ( 9.455 -14.883 0.000) 17.632 10.164 ( 6.360 -1.097 0.000) 6.454 10.178 ( 7.134 -0.556 0.000) 7.156 10.446 ( -5.564 4.508 0.000) 7.161 10.447 ( 0.193 1.022 0.000) 1.040 10.566 ( 0.232 -3.983 0.000) 3.989 10.605 ( -0.992 -2.267 0.000) 2.474 10.770 ( 4.455 4.938 0.000) 6.650 11.059 ( -1.159 1.043 0.000) 1.560 11.130 ( 0.142 -2.622 0.000) 2.626 11.130 ( -1.834 -9.993 0.000) 10.160 11.574 ( -5.639 10.364 0.000) 11.799 11.853 ( -8.464 -1.922 0.000) 8.679 12.230 ( 4.058 -1.089 0.000) 4.201 12.307 ( 5.245 -4.966 0.000) 7.223 12.548 ( 2.472 4.143 0.000) 4.825 12.593 ( 0.622 8.060 0.000) 8.084 12.755 ( 3.531 1.265 0.000) 3.750 12.771 ( 1.874 -6.551 0.000) 6.813 12.898 ( 4.389 3.510 0.000) 5.620 13.195 ( 2.563 -7.817 0.000) 8.227 13.881 ( -3.276 3.334 0.000) 4.674 14.065 ( -1.580 -3.834 0.000) 4.147 14.158 ( 1.836 2.385 0.000) 3.009 14.213 ( 1.428 0.162 0.000) 1.437 14.275 ( 3.573 1.962 0.000) 4.076 14.290 ( 2.990 0.911 0.000) 3.125 14.341 ( -0.842 2.243 0.000) 2.396 14.436 ( -1.593 -1.691 0.000) 2.323 14.931 ( -2.160 2.638 0.000) 3.410 14.985 ( -0.593 2.094 0.000) 2.177 15.341 ( -3.244 -1.365 0.000) 3.519 15.354 ( 0.469 -2.701 0.000) 2.742 15.631 ( 0.309 0.693 0.000) 0.759 15.664 ( -0.076 -0.722 0.000) 0.726 15.714 ( -4.115 4.894 0.000) 6.394 15.870 ( -16.117 4.089 0.000) 16.628 15.973 ( -1.095 0.917 0.000) 1.428 16.091 ( 2.231 -6.204 0.000) 6.593 16.446 ( 0.910 5.062 0.000) 5.143 16.598 ( -7.496 6.181 0.000) 9.715 16.627 ( -3.090 -1.521 0.000) 3.444 16.777 ( -8.623 -0.083 0.000) 8.623 16.900 ( 5.822 8.128 0.000) 9.998 17.093 ( 5.991 7.153 0.000) 9.330 17.100 ( 7.060 4.255 0.000) 8.243 17.386 ( 7.860 -6.751 0.000) 10.361 17.439 ( 7.500 -8.610 0.000) 11.419 17.492 ( -1.297 -9.304 0.000) 9.394 17.753 ( 8.090 0.965 0.000) 8.147 17.945 ( 21.097 -8.742 0.000) 22.836 19.121 ( -8.977 3.587 0.000) 9.667 19.383 ( -6.764 -9.463 0.000) 11.632 19.600 ( 0.235 0.498 0.000) 0.551 19.625 ( -0.037 -0.483 0.000) 0.484 19.672 ( 0.087 0.754 0.000) 0.759 19.703 ( -0.270 -0.637 0.000) 0.691 20.504 ( 1.197 14.841 0.000) 14.890 20.917 ( -10.115 1.581 0.000) 10.238 21.150 ( -0.903 -4.876 0.000) 4.959 21.194 ( -2.300 -2.795 0.000) 3.620 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 25.839 14.068 0.000) 29.421 2.378 ( 26.773 23.738 0.000) 35.782 2.607 ( 6.968 -5.970 0.000) 9.175 2.811 ( 3.840 0.582 0.000) 3.884 2.878 ( 2.584 -1.841 0.000) 3.173 3.219 ( 16.592 -12.634 0.000) 20.854 3.233 ( -6.761 5.217 0.000) 8.540 3.336 ( 4.930 26.965 0.000) 27.412 3.350 ( -1.980 2.500 0.000) 3.189 3.450 ( -12.431 1.311 0.000) 12.500 3.477 ( 2.449 22.747 0.000) 22.879 3.611 ( -9.196 -4.531 0.000) 10.252 3.844 ( -5.614 0.109 0.000) 5.615 3.984 ( -0.842 1.509 0.000) 1.728 4.073 ( 0.078 1.617 0.000) 1.619 4.204 ( -7.913 5.465 0.000) 9.617 4.350 ( -3.030 8.579 0.000) 9.099 4.501 ( -7.084 3.797 0.000) 8.038 4.662 ( 0.228 2.537 0.000) 2.547 4.728 ( -0.931 0.457 0.000) 1.037 4.774 ( 2.882 -14.191 0.000) 14.481 4.813 ( 1.521 -13.535 0.000) 13.620 4.929 ( 2.424 -2.283 0.000) 3.330 4.968 ( -2.615 1.847 0.000) 3.202 5.001 ( 3.375 -2.257 0.000) 4.060 5.091 ( -5.319 -3.118 0.000) 6.166 5.179 ( 3.945 -1.488 0.000) 4.216 5.356 ( 1.355 -8.277 0.000) 8.387 5.536 ( 4.201 3.556 0.000) 5.505 5.606 ( 0.094 0.176 0.000) 0.200 5.881 ( -3.653 1.293 0.000) 3.875 5.898 ( -5.787 2.663 0.000) 6.370 6.115 ( 2.121 0.500 0.000) 2.179 6.242 ( -2.428 -4.044 0.000) 4.717 6.281 ( -3.592 1.474 0.000) 3.882 6.333 ( -3.261 0.610 0.000) 3.318 6.502 ( 13.951 5.267 0.000) 14.912 6.670 ( -0.515 6.491 0.000) 6.511 6.708 ( 5.967 -3.451 0.000) 6.893 6.756 ( -4.529 9.008 0.000) 10.082 7.063 ( -2.129 2.834 0.000) 3.544 7.075 ( 0.865 -6.479 0.000) 6.537 7.219 ( -9.921 -4.242 0.000) 10.790 7.231 ( -2.553 -5.179 0.000) 5.774 7.597 ( -4.698 8.889 0.000) 10.054 7.694 ( -7.994 6.448 0.000) 10.270 8.067 ( 5.692 -3.316 0.000) 6.587 8.123 ( 0.237 6.000 0.000) 6.005 8.189 ( -3.121 4.885 0.000) 5.797 8.212 ( 3.208 0.989 0.000) 3.357 8.300 ( -5.155 -15.069 0.000) 15.926 8.447 ( -7.589 -9.697 0.000) 12.313 8.527 ( -3.121 -3.981 0.000) 5.058 8.704 ( -8.676 -9.037 0.000) 12.528 9.343 ( 2.348 1.818 0.000) 2.969 9.485 ( -2.504 -2.549 0.000) 3.573 9.671 ( 1.034 -3.385 0.000) 3.540 9.729 ( -0.254 -6.589 0.000) 6.594 9.797 ( 17.462 7.795 0.000) 19.123 10.135 ( 4.354 -8.031 0.000) 9.135 10.229 ( 0.932 2.283 0.000) 2.466 10.293 ( 1.431 -1.065 0.000) 1.784 10.408 ( 3.702 6.001 0.000) 7.051 10.459 ( 1.120 0.696 0.000) 1.319 10.557 ( -1.537 -3.084 0.000) 3.446 10.572 ( -2.115 -0.473 0.000) 2.167 10.914 ( 8.866 0.367 0.000) 8.873 11.061 ( 1.095 -0.117 0.000) 1.102 11.094 ( -1.101 -5.474 0.000) 5.584 11.122 ( -0.976 -2.505 0.000) 2.688 11.430 ( -6.730 5.218 0.000) 8.516 11.620 ( -12.702 -2.372 0.000) 12.922 12.292 ( 2.139 1.227 0.000) 2.466 12.359 ( -0.272 -2.561 0.000) 2.576 12.629 ( 4.897 4.735 0.000) 6.812 12.651 ( 4.311 1.447 0.000) 4.548 12.785 ( -0.686 -3.067 0.000) 3.143 12.788 ( -0.779 -2.198 0.000) 2.332 13.059 ( 9.059 5.733 0.000) 10.721 13.243 ( 1.123 -2.284 0.000) 2.545 13.838 ( -0.232 0.024 0.000) 0.233 13.981 ( -5.205 -5.597 0.000) 7.643 14.226 ( 3.409 2.293 0.000) 4.109 14.245 ( 1.668 0.399 0.000) 1.715 14.321 ( -0.875 2.515 0.000) 2.663 14.346 ( 2.478 1.053 0.000) 2.692 14.357 ( 2.921 1.009 0.000) 3.090 14.390 ( -2.693 0.064 0.000) 2.693 14.892 ( -1.029 2.511 0.000) 2.714 14.958 ( -1.962 0.612 0.000) 2.056 15.283 ( -0.898 3.600 0.000) 3.710 15.389 ( 2.439 -1.589 0.000) 2.911 15.550 ( -10.940 4.711 0.000) 11.911 15.620 ( -5.673 -1.042 0.000) 5.768 15.640 ( 0.527 0.327 0.000) 0.620 15.660 ( -0.310 -0.522 0.000) 0.607 16.036 ( 5.521 1.634 0.000) 5.758 16.140 ( 2.283 -2.606 0.000) 3.465 16.431 ( -7.139 4.481 0.000) 8.429 16.472 ( 1.595 4.977 0.000) 5.226 16.535 ( -11.921 -0.761 0.000) 11.946 16.563 ( -2.786 2.401 0.000) 3.677 17.067 ( 8.193 4.370 0.000) 9.285 17.223 ( 3.273 0.604 0.000) 3.328 17.234 ( 6.722 1.208 0.000) 6.830 17.447 ( -3.054 -6.979 0.000) 7.618 17.470 ( 3.698 -2.976 0.000) 4.747 17.584 ( 2.427 -5.201 0.000) 5.740 18.033 ( 17.735 3.519 0.000) 18.081 18.401 ( 19.118 -15.321 0.000) 24.500 18.866 ( -13.696 3.616 0.000) 14.166 19.176 ( -12.612 -11.554 0.000) 17.104 19.607 ( 0.398 0.489 0.000) 0.630 19.622 ( -0.231 -0.005 0.000) 0.231 19.676 ( 0.315 0.169 0.000) 0.358 19.695 ( -0.466 -0.562 0.000) 0.730 20.539 ( 2.156 13.736 0.000) 13.905 20.719 ( -7.653 9.735 0.000) 12.383 21.126 ( -1.059 -6.379 0.000) 6.466 21.142 ( -2.144 -4.448 0.000) 4.938 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -12.429 3.178 0.000) 12.829 2.643 ( 12.429 3.178 0.000) 12.829 2.838 ( -4.357 -1.935 0.000) 4.767 2.838 ( 4.357 -1.935 0.000) 4.767 2.925 ( -24.669 22.178 0.000) 33.173 2.925 ( 24.669 22.178 0.000) 33.173 3.194 ( -6.400 7.547 0.000) 9.895 3.194 ( 6.400 7.547 0.000) 9.895 3.429 ( -6.896 -2.510 0.000) 7.339 3.429 ( 6.896 -2.510 0.000) 7.339 3.547 ( -13.796 -10.258 0.000) 17.192 3.547 ( 13.796 -10.258 0.000) 17.192 3.943 ( -13.405 14.294 0.000) 19.596 3.943 ( 13.405 14.294 0.000) 19.596 4.075 ( -4.252 5.441 0.000) 6.905 4.075 ( 4.252 5.441 0.000) 6.905 4.356 ( -4.988 5.458 0.000) 7.393 4.356 ( 4.988 5.458 0.000) 7.393 4.702 ( -2.108 0.237 0.000) 2.121 4.702 ( 2.108 0.237 0.000) 2.121 4.802 ( -2.362 -10.579 0.000) 10.840 4.802 ( 2.362 -10.579 0.000) 10.840 4.976 ( -3.924 -1.907 0.000) 4.363 4.976 ( 3.924 -1.907 0.000) 4.363 5.017 ( -3.500 -0.770 0.000) 3.584 5.017 ( 3.500 -0.770 0.000) 3.584 5.296 ( -6.442 -6.834 0.000) 9.391 5.296 ( 6.442 -6.834 0.000) 9.391 5.595 ( -1.547 2.701 0.000) 3.113 5.595 ( 1.547 2.701 0.000) 3.113 5.813 ( -0.698 3.409 0.000) 3.480 5.813 ( 0.698 3.409 0.000) 3.480 6.174 ( -3.385 -1.650 0.000) 3.766 6.174 ( 3.385 -1.650 0.000) 3.766 6.280 ( -1.866 -0.147 0.000) 1.872 6.280 ( 1.866 -0.147 0.000) 1.872 6.681 ( -3.266 6.679 0.000) 7.435 6.681 ( 3.266 6.679 0.000) 7.435 6.769 ( -6.329 1.234 0.000) 6.449 6.769 ( 6.329 1.234 0.000) 6.449 7.020 ( -2.579 0.425 0.000) 2.614 7.020 ( 2.579 0.425 0.000) 2.614 7.146 ( -5.107 -6.079 0.000) 7.939 7.146 ( 5.107 -6.079 0.000) 7.939 7.574 ( -2.985 9.072 0.000) 9.551 7.574 ( 2.985 9.072 0.000) 9.551 8.150 ( -1.608 4.657 0.000) 4.927 8.150 ( 1.608 4.657 0.000) 4.927 8.178 ( -4.795 -5.775 0.000) 7.506 8.178 ( 4.795 -5.775 0.000) 7.506 8.314 ( -4.880 -10.069 0.000) 11.189 8.314 ( 4.880 -10.069 0.000) 11.189 8.546 ( -5.194 -7.015 0.000) 8.729 8.546 ( 5.194 -7.015 0.000) 8.729 9.409 ( -3.874 0.819 0.000) 3.959 9.409 ( 3.874 0.819 0.000) 3.959 9.704 ( -1.906 -6.127 0.000) 6.417 9.704 ( 1.906 -6.127 0.000) 6.417 10.091 ( -8.862 0.853 0.000) 8.903 10.091 ( 8.862 0.853 0.000) 8.903 10.268 ( -2.555 2.096 0.000) 3.304 10.268 ( 2.555 2.096 0.000) 3.304 10.502 ( -2.932 -0.632 0.000) 2.999 10.502 ( 2.932 -0.632 0.000) 2.999 10.508 ( -4.176 2.543 0.000) 4.889 10.508 ( 4.176 2.543 0.000) 4.889 11.071 ( -3.302 -3.065 0.000) 4.505 11.071 ( 3.302 -3.065 0.000) 4.505 11.093 ( -1.646 -1.303 0.000) 2.099 11.093 ( 1.646 -1.303 0.000) 2.099 11.391 ( -5.877 -0.006 0.000) 5.877 11.391 ( 5.877 -0.006 0.000) 5.877 12.332 ( -1.767 0.257 0.000) 1.785 12.332 ( 1.767 0.257 0.000) 1.785 12.732 ( -4.276 2.500 0.000) 4.954 12.732 ( 4.276 2.500 0.000) 4.954 12.739 ( -3.503 -2.117 0.000) 4.093 12.739 ( 3.503 -2.117 0.000) 4.093 13.211 ( -4.522 2.754 0.000) 5.295 13.211 ( 4.522 2.754 0.000) 5.295 13.879 ( -3.865 -3.817 0.000) 5.432 13.879 ( 3.865 -3.817 0.000) 5.432 14.269 ( -0.605 0.523 0.000) 0.799 14.269 ( 0.605 0.523 0.000) 0.799 14.331 ( -2.461 2.238 0.000) 3.327 14.331 ( 2.461 2.238 0.000) 3.327 14.381 ( -0.669 0.578 0.000) 0.884 14.381 ( 0.669 0.578 0.000) 0.884 14.907 ( -2.267 2.000 0.000) 3.024 14.907 ( 2.267 2.000 0.000) 3.024 15.334 ( -5.552 4.644 0.000) 7.238 15.334 ( 5.552 4.644 0.000) 7.238 15.507 ( -4.705 -2.996 0.000) 5.577 15.507 ( 4.705 -2.996 0.000) 5.577 15.651 ( -0.519 -0.138 0.000) 0.537 15.651 ( 0.519 -0.138 0.000) 0.537 16.156 ( -3.035 1.130 0.000) 3.238 16.156 ( 3.035 1.130 0.000) 3.238 16.353 ( -2.381 1.156 0.000) 2.647 16.353 ( 2.381 1.156 0.000) 2.647 16.511 ( -2.124 4.299 0.000) 4.795 16.511 ( 2.124 4.299 0.000) 4.795 17.207 ( -4.377 -0.168 0.000) 4.381 17.207 ( 4.377 -0.168 0.000) 4.381 17.361 ( -5.156 -3.443 0.000) 6.200 17.361 ( 5.156 -3.443 0.000) 6.200 17.560 ( -3.757 -1.280 0.000) 3.969 17.560 ( 3.757 -1.280 0.000) 3.969 18.421 ( -16.980 1.613 0.000) 17.057 18.421 ( 16.980 1.613 0.000) 17.057 18.874 ( -14.891 -12.323 0.000) 19.329 18.874 ( 14.891 -12.323 0.000) 19.329 19.616 ( -0.408 0.365 0.000) 0.547 19.616 ( 0.408 0.365 0.000) 0.547 19.685 ( -0.497 -0.331 0.000) 0.597 19.685 ( 0.497 -0.331 0.000) 0.597 20.601 ( -3.914 12.411 0.000) 13.013 20.601 ( 3.914 12.411 0.000) 13.013 21.116 ( -0.267 -5.819 0.000) 5.825 21.116 ( 0.267 -5.819 0.000) 5.825 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 0.000 -24.128 0.000) 24.128 2.022 ( 0.000 24.128 0.000) 24.128 2.244 ( 0.000 -32.635 0.000) 32.635 2.244 ( 0.000 32.635 0.000) 32.635 2.698 ( 0.000 -2.931 0.000) 2.931 2.698 ( 0.000 2.931 0.000) 2.931 3.510 ( 0.000 -0.320 0.000) 0.320 3.510 ( 0.000 0.320 0.000) 0.320 3.643 ( 0.000 -45.487 0.000) 45.487 3.643 ( 0.000 45.487 0.000) 45.487 3.705 ( 0.000 -2.125 0.000) 2.125 3.705 ( 0.000 2.125 0.000) 2.125 3.917 ( 0.000 -3.360 0.000) 3.360 3.917 ( 0.000 3.360 0.000) 3.360 4.309 ( 0.000 -8.046 0.000) 8.046 4.309 ( 0.000 8.046 0.000) 8.046 4.437 ( 0.000 -7.939 0.000) 7.939 4.437 ( 0.000 7.939 0.000) 7.939 4.765 ( 0.000 -0.168 0.000) 0.168 4.765 ( 0.000 0.168 0.000) 0.168 4.839 ( 0.000 -2.500 0.000) 2.500 4.839 ( 0.000 2.500 0.000) 2.500 4.989 ( 0.000 -1.605 0.000) 1.605 4.989 ( 0.000 1.605 0.000) 1.605 5.022 ( 0.000 -6.698 0.000) 6.698 5.022 ( 0.000 6.698 0.000) 6.698 5.121 ( 0.000 -3.686 0.000) 3.686 5.121 ( 0.000 3.686 0.000) 3.686 5.511 ( 0.000 -7.861 0.000) 7.861 5.511 ( 0.000 7.861 0.000) 7.861 5.934 ( 0.000 -3.560 0.000) 3.560 5.934 ( 0.000 3.560 0.000) 3.560 6.112 ( 0.000 -4.730 0.000) 4.730 6.112 ( 0.000 4.730 0.000) 4.730 6.415 ( 0.000 -12.548 0.000) 12.548 6.415 ( 0.000 12.548 0.000) 12.548 6.458 ( 0.000 -1.688 0.000) 1.688 6.458 ( 0.000 1.688 0.000) 1.688 6.904 ( 0.000 -11.072 0.000) 11.072 6.904 ( 0.000 11.072 0.000) 11.072 7.137 ( 0.000 -4.906 0.000) 4.906 7.137 ( 0.000 4.906 0.000) 4.906 7.161 ( 0.000 -5.410 0.000) 5.410 7.161 ( 0.000 5.410 0.000) 5.410 7.890 ( 0.000 -5.071 0.000) 5.071 7.890 ( 0.000 5.071 0.000) 5.071 8.071 ( 0.000 -2.353 0.000) 2.353 8.071 ( 0.000 2.353 0.000) 2.353 8.350 ( 0.000 -8.927 0.000) 8.927 8.350 ( 0.000 8.927 0.000) 8.927 8.482 ( 0.000 -4.118 0.000) 4.118 8.482 ( 0.000 4.118 0.000) 4.118 8.818 ( 0.000 -7.761 0.000) 7.761 8.818 ( 0.000 7.761 0.000) 7.761 9.359 ( 0.000 -5.190 0.000) 5.190 9.359 ( 0.000 5.190 0.000) 5.190 9.498 ( 0.000 -15.418 0.000) 15.418 9.498 ( 0.000 15.418 0.000) 15.418 9.713 ( 0.000 -6.469 0.000) 6.469 9.713 ( 0.000 6.469 0.000) 6.469 10.067 ( 0.000 -2.221 0.000) 2.221 10.067 ( 0.000 2.221 0.000) 2.221 10.483 ( 0.000 -2.883 0.000) 2.883 10.483 ( 0.000 2.883 0.000) 2.883 10.573 ( 0.000 -1.702 0.000) 1.702 10.573 ( 0.000 1.702 0.000) 1.702 10.914 ( 0.000 -10.957 0.000) 10.957 10.914 ( 0.000 10.957 0.000) 10.957 11.101 ( 0.000 -1.013 0.000) 1.013 11.101 ( 0.000 1.013 0.000) 1.013 11.852 ( 0.000 -8.034 0.000) 8.034 11.852 ( 0.000 8.034 0.000) 8.034 12.171 ( 0.000 -2.057 0.000) 2.057 12.171 ( 0.000 2.057 0.000) 2.057 12.605 ( 0.000 -5.170 0.000) 5.170 12.605 ( 0.000 5.170 0.000) 5.170 12.736 ( 0.000 -0.998 0.000) 0.998 12.736 ( 0.000 0.998 0.000) 0.998 12.951 ( 0.000 -9.390 0.000) 9.390 12.951 ( 0.000 9.390 0.000) 9.390 14.018 ( 0.000 -3.590 0.000) 3.590 14.018 ( 0.000 3.590 0.000) 3.590 14.172 ( 0.000 -1.539 0.000) 1.539 14.172 ( 0.000 1.539 0.000) 1.539 14.262 ( 0.000 -0.414 0.000) 0.414 14.262 ( 0.000 0.414 0.000) 0.414 14.400 ( 0.000 -2.639 0.000) 2.639 14.400 ( 0.000 2.639 0.000) 2.639 15.014 ( 0.000 -0.923 0.000) 0.923 15.014 ( 0.000 0.923 0.000) 0.923 15.314 ( 0.000 -0.365 0.000) 0.365 15.314 ( 0.000 0.365 0.000) 0.365 15.646 ( 0.000 -0.979 0.000) 0.979 15.646 ( 0.000 0.979 0.000) 0.979 15.924 ( 0.000 -6.732 0.000) 6.732 15.924 ( 0.000 6.732 0.000) 6.732 16.032 ( 0.000 -7.521 0.000) 7.521 16.032 ( 0.000 7.521 0.000) 7.521 16.550 ( 0.000 -6.010 0.000) 6.010 16.550 ( 0.000 6.010 0.000) 6.010 16.838 ( 0.000 -6.596 0.000) 6.596 16.838 ( 0.000 6.596 0.000) 6.596 17.037 ( 0.000 -5.016 0.000) 5.016 17.037 ( 0.000 5.016 0.000) 5.016 17.181 ( 0.000 -0.499 0.000) 0.499 17.181 ( 0.000 0.499 0.000) 0.499 17.271 ( 0.000 -12.489 0.000) 12.489 17.271 ( 0.000 12.489 0.000) 12.489 17.667 ( 0.000 -1.531 0.000) 1.531 17.667 ( 0.000 1.531 0.000) 1.531 19.309 ( 0.000 -5.789 0.000) 5.789 19.309 ( 0.000 5.789 0.000) 5.789 19.610 ( 0.000 -0.744 0.000) 0.744 19.610 ( 0.000 0.744 0.000) 0.744 19.691 ( 0.000 -0.882 0.000) 0.882 19.691 ( 0.000 0.882 0.000) 0.882 20.795 ( 0.000 -14.236 0.000) 14.236 20.795 ( 0.000 14.236 0.000) 14.236 21.184 ( 0.000 -1.574 0.000) 1.574 21.184 ( 0.000 1.574 0.000) 1.574 ======================= Grid point 23 (14/80) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 10.934 -20.080 0.000) 22.864 2.145 ( 10.934 20.080 0.000) 22.864 2.420 ( 15.507 -28.436 0.000) 32.389 2.420 ( 15.507 28.436 0.000) 32.389 2.745 ( 4.106 -2.683 0.000) 4.905 2.745 ( 4.106 2.683 0.000) 4.905 3.457 ( -4.751 -1.544 0.000) 4.996 3.457 ( -4.751 1.544 0.000) 4.996 3.654 ( -4.874 -3.027 0.000) 5.737 3.654 ( -4.874 3.027 0.000) 5.737 3.774 ( 10.812 -38.696 0.000) 40.179 3.774 ( 10.812 38.696 0.000) 40.179 3.955 ( 2.560 -2.682 0.000) 3.708 3.955 ( 2.560 2.682 0.000) 3.708 4.136 ( -10.819 -7.372 0.000) 13.092 4.136 ( -10.819 7.372 0.000) 13.092 4.487 ( 0.966 -9.186 0.000) 9.237 4.487 ( 0.966 9.186 0.000) 9.237 4.672 ( -7.749 -4.500 0.000) 8.961 4.672 ( -7.749 4.500 0.000) 8.961 4.776 ( -4.244 -1.585 0.000) 4.530 4.776 ( -4.244 1.585 0.000) 4.530 4.930 ( -0.894 -2.407 0.000) 2.568 4.930 ( -0.894 2.407 0.000) 2.568 5.115 ( -2.217 -3.350 0.000) 4.017 5.115 ( -2.217 3.350 0.000) 4.017 5.139 ( 6.102 -4.559 0.000) 7.617 5.139 ( 6.102 4.559 0.000) 7.617 5.531 ( 2.260 -5.018 0.000) 5.504 5.531 ( 2.260 5.018 0.000) 5.504 5.933 ( -0.216 -2.172 0.000) 2.183 5.933 ( -0.216 2.172 0.000) 2.183 6.139 ( 1.743 -4.784 0.000) 5.092 6.139 ( 1.743 4.784 0.000) 5.092 6.421 ( -3.845 -1.278 0.000) 4.052 6.421 ( -3.845 1.278 0.000) 4.052 6.453 ( 4.403 -10.199 0.000) 11.109 6.453 ( 4.403 10.199 0.000) 11.109 6.855 ( -2.620 -10.232 0.000) 10.562 6.855 ( -2.620 10.232 0.000) 10.562 7.138 ( -1.576 -7.543 0.000) 7.706 7.138 ( -1.576 7.543 0.000) 7.706 7.173 ( 0.348 -5.745 0.000) 5.755 7.173 ( 0.348 5.745 0.000) 5.755 7.851 ( -3.140 -4.763 0.000) 5.705 7.851 ( -3.140 4.763 0.000) 5.705 8.045 ( -1.821 -7.479 0.000) 7.698 8.045 ( -1.821 7.479 0.000) 7.698 8.301 ( -4.052 -6.512 0.000) 7.670 8.301 ( -4.052 6.512 0.000) 7.670 8.415 ( -5.697 -7.344 0.000) 9.295 8.415 ( -5.697 7.344 0.000) 9.295 8.700 ( -8.461 -8.695 0.000) 12.133 8.700 ( -8.461 8.695 0.000) 12.133 9.385 ( 2.101 -5.254 0.000) 5.658 9.385 ( 2.101 5.254 0.000) 5.658 9.675 ( 13.702 -13.477 0.000) 19.219 9.675 ( 13.702 13.477 0.000) 19.219 9.676 ( -2.281 -3.561 0.000) 4.229 9.676 ( -2.281 3.561 0.000) 4.229 10.160 ( 6.590 -0.722 0.000) 6.629 10.160 ( 6.590 0.722 0.000) 6.629 10.488 ( 0.432 -3.115 0.000) 3.145 10.488 ( 0.432 3.115 0.000) 3.145 10.537 ( -2.463 -4.098 0.000) 4.781 10.537 ( -2.463 4.098 0.000) 4.781 10.925 ( 1.160 -9.496 0.000) 9.566 10.925 ( 1.160 9.496 0.000) 9.566 11.091 ( -0.642 -1.729 0.000) 1.844 11.091 ( -0.642 1.729 0.000) 1.844 11.759 ( -8.260 -7.227 0.000) 10.976 11.759 ( -8.260 7.227 0.000) 10.976 12.236 ( 4.747 -1.929 0.000) 5.124 12.236 ( 4.747 1.929 0.000) 5.124 12.646 ( 3.391 -5.540 0.000) 6.496 12.646 ( 3.391 5.540 0.000) 6.496 12.723 ( -0.947 -4.226 0.000) 4.330 12.723 ( -0.947 4.226 0.000) 4.330 13.025 ( 6.291 -8.203 0.000) 10.337 13.025 ( 6.291 8.203 0.000) 10.337 13.968 ( -3.987 -4.945 0.000) 6.352 13.968 ( -3.987 4.945 0.000) 6.352 14.201 ( 2.181 -1.380 0.000) 2.581 14.201 ( 2.181 1.380 0.000) 2.581 14.299 ( 3.116 -0.312 0.000) 3.132 14.299 ( 3.116 0.312 0.000) 3.132 14.392 ( -0.755 -2.567 0.000) 2.675 14.392 ( -0.755 2.567 0.000) 2.675 14.985 ( -2.289 -2.007 0.000) 3.044 14.985 ( -2.289 2.007 0.000) 3.044 15.322 ( 0.680 -0.539 0.000) 0.868 15.322 ( 0.680 0.539 0.000) 0.868 15.647 ( 0.076 -0.884 0.000) 0.887 15.647 ( 0.076 0.884 0.000) 0.887 15.831 ( -10.075 -5.733 0.000) 11.592 15.831 ( -10.075 5.733 0.000) 11.592 16.008 ( 1.593 -2.999 0.000) 3.396 16.008 ( 1.593 2.999 0.000) 3.396 16.553 ( 0.243 -5.079 0.000) 5.085 16.553 ( 0.243 5.079 0.000) 5.085 16.717 ( -9.364 -4.962 0.000) 10.597 16.717 ( -9.364 4.962 0.000) 10.597 17.094 ( 3.778 -7.890 0.000) 8.747 17.094 ( 3.778 7.890 0.000) 8.747 17.284 ( 1.066 -10.635 0.000) 10.689 17.284 ( 1.066 10.635 0.000) 10.689 17.311 ( 9.667 -2.850 0.000) 10.078 17.311 ( 9.667 2.850 0.000) 10.078 17.813 ( 12.972 -4.830 0.000) 13.842 17.813 ( 12.972 4.830 0.000) 13.842 19.221 ( -8.181 -6.446 0.000) 10.415 19.221 ( -8.181 6.446 0.000) 10.415 19.612 ( 0.188 -0.690 0.000) 0.715 19.612 ( 0.188 0.690 0.000) 0.715 19.688 ( -0.191 -0.811 0.000) 0.833 19.688 ( -0.191 0.811 0.000) 0.833 20.787 ( -0.772 -12.114 0.000) 12.138 20.787 ( -0.772 12.114 0.000) 12.138 21.138 ( -3.804 -2.371 0.000) 4.483 21.138 ( -3.804 2.371 0.000) 4.483 ======================= Grid point 25 (15/80) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 15.319 -10.873 0.000) 18.785 2.436 ( 15.319 10.873 0.000) 18.785 2.828 ( 21.801 -21.077 0.000) 30.324 2.828 ( 21.801 21.077 0.000) 30.324 2.836 ( 2.954 -1.892 0.000) 3.508 2.836 ( 2.954 1.892 0.000) 3.508 3.340 ( -4.897 -3.933 0.000) 6.280 3.340 ( -4.897 3.933 0.000) 6.280 3.507 ( -8.488 -4.749 0.000) 9.726 3.507 ( -8.488 4.749 0.000) 9.726 3.721 ( -17.369 -9.821 0.000) 19.954 3.721 ( -17.369 9.821 0.000) 19.954 4.038 ( 6.816 -7.331 0.000) 10.010 4.038 ( 6.816 7.331 0.000) 10.010 4.160 ( 9.247 -27.138 0.000) 28.670 4.160 ( 9.247 27.138 0.000) 28.670 4.469 ( -2.351 -12.988 0.000) 13.199 4.469 ( -2.351 12.988 0.000) 13.199 4.516 ( -4.089 -5.843 0.000) 7.132 4.516 ( -4.089 5.843 0.000) 7.132 4.712 ( -1.427 -1.933 0.000) 2.403 4.712 ( -1.427 1.933 0.000) 2.403 4.965 ( 4.007 -2.890 0.000) 4.940 4.965 ( 4.007 2.890 0.000) 4.940 5.023 ( -5.248 -3.316 0.000) 6.208 5.023 ( -5.248 3.316 0.000) 6.208 5.228 ( 1.506 -5.007 0.000) 5.228 5.228 ( 1.506 5.007 0.000) 5.228 5.594 ( 2.907 -1.742 0.000) 3.389 5.594 ( 2.907 1.742 0.000) 3.389 5.908 ( -2.670 -1.112 0.000) 2.892 5.908 ( -2.670 1.112 0.000) 2.892 6.156 ( -0.080 -3.628 0.000) 3.629 6.156 ( -0.080 3.628 0.000) 3.629 6.318 ( -4.419 -1.730 0.000) 4.746 6.318 ( -4.419 1.730 0.000) 4.746 6.616 ( 10.271 -5.447 0.000) 11.626 6.616 ( 10.271 5.447 0.000) 11.626 6.811 ( -2.411 -5.739 0.000) 6.225 6.811 ( -2.411 5.739 0.000) 6.225 7.079 ( -2.416 -8.003 0.000) 8.360 7.079 ( -2.416 8.003 0.000) 8.360 7.133 ( -4.803 -4.054 0.000) 6.285 7.133 ( -4.803 4.054 0.000) 6.285 7.776 ( -3.359 -3.779 0.000) 5.056 7.776 ( -3.359 3.779 0.000) 5.056 8.012 ( -1.546 -4.223 0.000) 4.497 8.012 ( -1.546 4.223 0.000) 4.497 8.225 ( -2.127 -2.680 0.000) 3.422 8.225 ( -2.127 2.680 0.000) 3.422 8.298 ( -3.965 -4.794 0.000) 6.222 8.298 ( -3.965 4.794 0.000) 6.222 8.535 ( -6.542 -5.845 0.000) 8.772 8.535 ( -6.542 5.845 0.000) 8.772 9.424 ( 1.239 -4.336 0.000) 4.509 9.424 ( 1.239 4.336 0.000) 4.509 9.640 ( -1.213 -1.137 0.000) 1.663 9.640 ( -1.213 1.137 0.000) 1.663 9.965 ( 11.853 -8.522 0.000) 14.598 9.965 ( 11.853 8.522 0.000) 14.598 10.265 ( 2.676 -1.488 0.000) 3.062 10.265 ( 2.676 1.488 0.000) 3.062 10.494 ( -0.008 -2.765 0.000) 2.765 10.494 ( -0.008 2.765 0.000) 2.765 10.516 ( 0.780 -4.417 0.000) 4.486 10.516 ( 0.780 4.417 0.000) 4.486 10.973 ( 3.639 -5.186 0.000) 6.335 10.973 ( 3.639 5.186 0.000) 6.335 11.081 ( -0.245 -1.670 0.000) 1.688 11.081 ( -0.245 1.670 0.000) 1.688 11.543 ( -11.009 -5.061 0.000) 12.117 11.543 ( -11.009 5.061 0.000) 12.117 12.315 ( 2.250 -1.597 0.000) 2.759 12.315 ( 2.250 1.597 0.000) 2.759 12.711 ( -0.020 -3.859 0.000) 3.859 12.711 ( -0.020 3.859 0.000) 3.859 12.722 ( 3.246 -4.152 0.000) 5.270 12.722 ( 3.246 4.152 0.000) 5.270 13.169 ( 6.189 -4.773 0.000) 7.816 13.169 ( 6.189 4.773 0.000) 7.816 13.881 ( -3.676 -3.884 0.000) 5.348 13.881 ( -3.676 3.884 0.000) 5.348 14.248 ( 2.007 -0.290 0.000) 2.028 14.248 ( 2.007 0.290 0.000) 2.028 14.364 ( 2.358 -0.442 0.000) 2.399 14.364 ( 2.358 0.442 0.000) 2.399 14.371 ( -1.129 -1.937 0.000) 2.242 14.371 ( -1.129 1.937 0.000) 2.242 14.942 ( -1.365 -2.020 0.000) 2.438 14.942 ( -1.365 2.020 0.000) 2.438 15.347 ( 1.951 -2.602 0.000) 3.252 15.347 ( 1.951 2.602 0.000) 3.252 15.602 ( -10.106 -1.257 0.000) 10.184 15.602 ( -10.106 1.257 0.000) 10.184 15.649 ( 0.069 -0.544 0.000) 0.548 15.649 ( 0.069 0.544 0.000) 0.548 16.086 ( 5.115 -2.814 0.000) 5.838 16.086 ( 5.115 2.814 0.000) 5.838 16.504 ( -9.881 -2.544 0.000) 10.203 16.504 ( -9.881 2.544 0.000) 10.203 16.559 ( 0.253 -2.798 0.000) 2.809 16.559 ( 0.253 2.798 0.000) 2.809 17.171 ( 3.102 -4.980 0.000) 5.867 17.171 ( 3.102 4.980 0.000) 5.867 17.308 ( 1.037 -5.945 0.000) 6.035 17.308 ( 1.037 5.945 0.000) 6.035 17.483 ( 5.717 -3.761 0.000) 6.844 17.483 ( 5.717 3.761 0.000) 6.844 18.157 ( 18.190 -8.900 0.000) 20.251 18.157 ( 18.190 8.900 0.000) 20.251 18.980 ( -14.092 -7.649 0.000) 16.034 18.980 ( -14.092 7.649 0.000) 16.034 19.617 ( 0.221 -0.469 0.000) 0.519 19.617 ( 0.221 0.469 0.000) 0.519 19.684 ( -0.223 -0.541 0.000) 0.585 19.684 ( -0.223 0.541 0.000) 0.585 20.769 ( -0.773 -6.609 0.000) 6.654 20.769 ( -0.773 6.609 0.000) 6.654 21.058 ( -3.069 -2.050 0.000) 3.690 21.058 ( -3.069 2.050 0.000) 3.690 ======================= Grid point 27 (16/80) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 -0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.323 ( -0.000 -0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.336 ( -0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.346 ( -0.000 -0.000 0.000) 0.000 3.346 ( 0.000 -0.000 0.000) 0.000 4.128 ( 0.000 -0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 -0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 -0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.518 ( -0.000 -0.000 0.000) 0.000 4.518 ( -0.000 0.000 0.000) 0.000 4.704 ( -0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 -0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.274 ( -0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 6.782 ( -0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 7.028 ( -0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 -0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.737 ( 0.000 -0.000 0.000) 0.000 7.737 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.211 ( -0.000 0.000 0.000) 0.000 8.211 ( 0.000 0.000 0.000) 0.000 8.262 ( -0.000 -0.000 0.000) 0.000 8.262 ( -0.000 0.000 0.000) 0.000 8.457 ( -0.000 -0.000 0.000) 0.000 8.457 ( 0.000 0.000 0.000) 0.000 9.436 ( 0.000 -0.000 0.000) 0.000 9.436 ( 0.000 0.000 0.000) 0.000 9.626 ( 0.000 0.000 0.000) 0.000 9.626 ( 0.000 0.000 0.000) 0.000 10.103 ( -0.000 -0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 -0.000 0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 -0.000 0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 11.079 ( 0.000 0.000 0.000) 0.000 11.079 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 12.714 ( 0.000 -0.000 0.000) 0.000 12.714 ( 0.000 0.000 0.000) 0.000 12.760 ( 0.000 0.000 0.000) 0.000 12.760 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 14.273 ( 0.000 0.000 0.000) 0.000 14.273 ( 0.000 0.000 0.000) 0.000 14.355 ( -0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 -0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 14.930 ( 0.000 0.000 0.000) 0.000 14.930 ( -0.000 0.000 0.000) 0.000 15.406 ( -0.000 0.000 0.000) 0.000 15.406 ( 0.000 0.000 0.000) 0.000 15.451 ( -0.000 -0.000 0.000) 0.000 15.451 ( 0.000 -0.000 0.000) 0.000 15.650 ( 0.000 0.000 0.000) 0.000 15.650 ( 0.000 0.000 0.000) 0.000 16.173 ( 0.000 0.000 0.000) 0.000 16.173 ( 0.000 0.000 0.000) 0.000 16.365 ( 0.000 0.000 0.000) 0.000 16.365 ( 0.000 -0.000 0.000) 0.000 16.562 ( 0.000 0.000 0.000) 0.000 16.562 ( 0.000 0.000 0.000) 0.000 17.206 ( 0.000 0.000 0.000) 0.000 17.206 ( 0.000 0.000 0.000) 0.000 17.320 ( 0.000 0.000 0.000) 0.000 17.320 ( 0.000 0.000 0.000) 0.000 17.543 ( 0.000 -0.000 0.000) 0.000 17.543 ( 0.000 0.000 0.000) 0.000 18.451 ( -0.000 -0.000 0.000) 0.000 18.451 ( -0.000 0.000 0.000) 0.000 18.731 ( 0.000 0.000 0.000) 0.000 18.731 ( 0.000 0.000 0.000) 0.000 19.620 ( -0.000 0.000 0.000) 0.000 19.620 ( 0.000 0.000 0.000) 0.000 19.681 ( 0.000 0.000 0.000) 0.000 19.681 ( 0.000 0.000 0.000) 0.000 20.760 ( 0.000 -0.000 0.000) 0.000 20.760 ( 0.000 0.000 0.000) 0.000 21.024 ( 0.000 0.000 0.000) 0.000 21.024 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 49 (17/80) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 0.000 35.950) 35.950 0.839 ( 0.000 0.000 43.457) 43.457 1.313 ( 0.000 0.000 66.511) 66.511 2.896 ( 0.000 0.000 6.309) 6.309 2.970 ( 0.000 0.000 19.303) 19.303 3.180 ( 0.000 0.000 2.806) 2.806 3.321 ( 0.000 0.000 3.292) 3.292 3.350 ( 0.000 0.000 6.755) 6.755 3.593 ( 0.000 0.000 5.915) 5.915 3.646 ( 0.000 0.000 3.359) 3.359 3.752 ( 0.000 0.000 -0.100) 0.100 3.763 ( 0.000 0.000 3.452) 3.452 3.908 ( 0.000 0.000 2.663) 2.663 3.952 ( 0.000 0.000 -1.921) 1.921 4.078 ( 0.000 0.000 2.326) 2.326 4.094 ( 0.000 0.000 6.814) 6.814 4.432 ( 0.000 0.000 2.639) 2.639 4.451 ( 0.000 0.000 -6.637) 6.637 4.630 ( 0.000 0.000 1.907) 1.907 4.818 ( 0.000 0.000 -1.998) 1.998 4.847 ( 0.000 0.000 0.180) 0.180 4.850 ( 0.000 0.000 -1.418) 1.418 4.965 ( 0.000 0.000 -0.246) 0.246 5.024 ( 0.000 0.000 4.031) 4.031 5.028 ( 0.000 0.000 0.167) 0.167 5.065 ( 0.000 0.000 6.294) 6.294 5.231 ( 0.000 0.000 1.153) 1.153 5.441 ( 0.000 0.000 5.832) 5.832 5.580 ( 0.000 0.000 -2.299) 2.299 5.620 ( 0.000 0.000 -14.666) 14.666 5.726 ( 0.000 0.000 -3.475) 3.475 5.819 ( 0.000 0.000 -8.465) 8.465 6.154 ( 0.000 0.000 -6.179) 6.179 6.271 ( 0.000 0.000 14.899) 14.899 6.293 ( 0.000 0.000 -0.556) 0.556 6.405 ( 0.000 0.000 -3.663) 3.663 6.534 ( 0.000 0.000 1.284) 1.284 6.564 ( 0.000 0.000 6.159) 6.159 6.733 ( 0.000 0.000 11.135) 11.135 6.879 ( 0.000 0.000 -0.684) 0.684 7.048 ( 0.000 0.000 5.216) 5.216 7.175 ( 0.000 0.000 4.414) 4.414 7.429 ( 0.000 0.000 -4.193) 4.193 7.593 ( 0.000 0.000 1.551) 1.551 7.641 ( 0.000 0.000 -2.369) 2.369 7.795 ( 0.000 0.000 6.860) 6.860 7.810 ( 0.000 0.000 -3.909) 3.909 7.949 ( 0.000 0.000 -4.262) 4.262 8.055 ( 0.000 0.000 -0.200) 0.200 8.364 ( 0.000 0.000 -2.852) 2.852 8.386 ( 0.000 0.000 12.726) 12.726 8.679 ( 0.000 0.000 -2.517) 2.517 8.882 ( 0.000 0.000 -2.081) 2.081 8.962 ( 0.000 0.000 4.465) 4.465 9.123 ( 0.000 0.000 -2.177) 2.177 9.540 ( 0.000 0.000 -3.891) 3.891 9.670 ( 0.000 0.000 -9.769) 9.769 9.711 ( 0.000 0.000 1.558) 1.558 9.802 ( 0.000 0.000 -1.094) 1.094 10.036 ( 0.000 0.000 2.081) 2.081 10.085 ( 0.000 0.000 -3.057) 3.057 10.223 ( 0.000 0.000 2.740) 2.740 10.352 ( 0.000 0.000 0.785) 0.785 10.416 ( 0.000 0.000 -1.978) 1.978 10.437 ( 0.000 0.000 -0.211) 0.211 10.464 ( 0.000 0.000 -4.486) 4.486 10.795 ( 0.000 0.000 -5.776) 5.776 11.065 ( 0.000 0.000 -0.695) 0.695 11.184 ( 0.000 0.000 3.141) 3.141 11.251 ( 0.000 0.000 8.554) 8.554 11.465 ( 0.000 0.000 -3.124) 3.124 11.871 ( 0.000 0.000 -5.437) 5.437 11.955 ( 0.000 0.000 -8.496) 8.496 12.145 ( 0.000 0.000 -1.170) 1.170 12.343 ( 0.000 0.000 -7.547) 7.547 12.424 ( 0.000 0.000 -3.456) 3.456 12.567 ( 0.000 0.000 0.705) 0.705 12.859 ( 0.000 0.000 -0.548) 0.548 13.270 ( 0.000 0.000 -11.577) 11.577 13.373 ( 0.000 0.000 -6.273) 6.273 13.859 ( 0.000 0.000 5.351) 5.351 13.978 ( 0.000 0.000 0.770) 0.770 14.165 ( 0.000 0.000 -0.168) 0.168 14.178 ( 0.000 0.000 1.286) 1.286 14.287 ( 0.000 0.000 6.580) 6.580 14.324 ( 0.000 0.000 2.050) 2.050 14.353 ( 0.000 0.000 -1.243) 1.243 14.500 ( 0.000 0.000 -0.936) 0.936 14.890 ( 0.000 0.000 1.206) 1.206 14.907 ( 0.000 0.000 0.818) 0.818 15.217 ( 0.000 0.000 6.484) 6.484 15.505 ( 0.000 0.000 -0.482) 0.482 15.506 ( 0.000 0.000 0.356) 0.356 15.564 ( 0.000 0.000 2.346) 2.346 15.748 ( 0.000 0.000 6.025) 6.025 16.065 ( 0.000 0.000 2.804) 2.804 16.194 ( 0.000 0.000 -1.021) 1.021 16.295 ( 0.000 0.000 -2.568) 2.568 16.348 ( 0.000 0.000 -5.012) 5.012 16.503 ( 0.000 0.000 -2.151) 2.151 16.541 ( 0.000 0.000 -5.419) 5.419 16.576 ( 0.000 0.000 -1.208) 1.208 16.730 ( 0.000 0.000 2.744) 2.744 16.742 ( 0.000 0.000 -0.597) 0.597 16.756 ( 0.000 0.000 -3.079) 3.079 17.126 ( 0.000 0.000 1.112) 1.112 17.266 ( 0.000 0.000 -12.592) 12.592 17.728 ( 0.000 0.000 0.826) 0.826 17.768 ( 0.000 0.000 2.987) 2.987 17.773 ( 0.000 0.000 0.317) 0.317 18.739 ( 0.000 0.000 -16.894) 16.894 18.883 ( 0.000 0.000 -21.681) 21.681 19.480 ( 0.000 0.000 -4.766) 4.766 19.612 ( 0.000 0.000 1.901) 1.901 19.847 ( 0.000 0.000 14.682) 14.682 20.028 ( 0.000 0.000 5.152) 5.152 20.441 ( 0.000 0.000 25.663) 25.663 21.263 ( 0.000 0.000 4.005) 4.005 21.401 ( 0.000 0.000 8.188) 8.188 22.631 ( 0.000 0.000 -3.620) 3.620 ======================= Grid point 50 (18/80) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 27.244 0.000 22.775) 35.509 1.124 ( 28.973 0.000 24.755) 38.108 1.941 ( 45.589 0.000 46.293) 64.973 2.920 ( 2.060 0.000 5.628) 5.993 2.944 ( -1.969 0.000 19.548) 19.647 3.081 ( -9.402 0.000 7.547) 12.056 3.134 ( -16.704 0.000 21.827) 27.486 3.317 ( -3.117 0.000 5.538) 6.355 3.332 ( 0.298 0.000 6.557) 6.563 3.697 ( 2.876 0.000 3.843) 4.799 3.733 ( -5.816 0.000 3.015) 6.551 3.809 ( 4.513 0.000 2.423) 5.122 3.886 ( 0.849 0.000 -1.106) 1.394 3.896 ( -7.329 0.000 -1.206) 7.428 4.025 ( -4.343 0.000 3.821) 5.784 4.072 ( -1.919 0.000 3.737) 4.201 4.344 ( -7.562 0.000 -0.678) 7.592 4.393 ( -3.680 0.000 -4.941) 6.161 4.646 ( -0.946 0.000 0.948) 1.339 4.697 ( -9.091 0.000 1.165) 9.166 4.740 ( -0.804 0.000 1.754) 1.929 4.865 ( 2.621 0.000 -3.175) 4.117 4.940 ( 2.689 0.000 1.362) 3.014 5.012 ( -0.782 0.000 4.854) 4.917 5.170 ( 5.725 0.000 0.400) 5.739 5.207 ( 3.840 0.000 -3.249) 5.030 5.309 ( -2.986 0.000 6.861) 7.483 5.358 ( 9.645 0.000 5.402) 11.055 5.650 ( 2.267 0.000 -1.991) 3.017 5.663 ( 3.732 0.000 -12.136) 12.697 5.710 ( -0.984 0.000 -0.059) 0.986 5.818 ( -0.199 0.000 -7.926) 7.929 6.158 ( -2.438 0.000 1.334) 2.780 6.251 ( 4.461 0.000 0.734) 4.521 6.304 ( 0.722 0.000 10.665) 10.689 6.324 ( -6.204 0.000 -2.543) 6.705 6.456 ( -3.787 0.000 -4.020) 5.523 6.483 ( -6.835 0.000 3.394) 7.631 6.756 ( -8.569 0.000 5.973) 10.446 6.809 ( 5.031 0.000 10.032) 11.223 7.024 ( -0.299 0.000 6.303) 6.310 7.186 ( 1.581 0.000 3.855) 4.167 7.433 ( -5.355 0.000 -7.202) 8.975 7.539 ( -4.074 0.000 1.823) 4.463 7.670 ( -3.124 0.000 -0.650) 3.191 7.807 ( -11.354 0.000 -1.525) 11.456 7.858 ( 5.231 0.000 1.654) 5.486 7.952 ( -0.329 0.000 0.722) 0.794 7.970 ( 5.708 0.000 -2.026) 6.057 8.259 ( -4.345 0.000 11.400) 12.200 8.426 ( 4.255 0.000 -3.490) 5.503 8.821 ( 0.649 0.000 -6.378) 6.411 8.859 ( -7.628 0.000 4.239) 8.726 8.864 ( 4.521 0.000 -6.092) 7.586 9.287 ( 8.900 0.000 5.013) 10.215 9.566 ( -4.620 0.000 1.084) 4.745 9.575 ( 3.065 0.000 -3.440) 4.607 9.681 ( 0.653 0.000 -9.459) 9.481 10.040 ( 1.982 0.000 -3.271) 3.825 10.053 ( 3.930 0.000 -5.646) 6.879 10.121 ( 3.247 0.000 -3.215) 4.569 10.270 ( 4.372 0.000 0.276) 4.381 10.296 ( -8.107 0.000 -3.233) 8.728 10.384 ( 0.619 0.000 0.696) 0.931 10.478 ( 1.299 0.000 -2.710) 3.005 10.562 ( 10.641 0.000 0.467) 10.651 10.895 ( 5.573 0.000 -4.442) 7.127 11.056 ( -3.988 0.000 -2.075) 4.496 11.115 ( -6.859 0.000 6.355) 9.350 11.375 ( 3.740 0.000 -13.149) 13.670 11.507 ( 0.985 0.000 0.161) 0.999 11.798 ( -11.475 0.000 -4.447) 12.306 11.947 ( 6.515 0.000 -5.443) 8.489 12.224 ( 9.447 0.000 -13.296) 16.311 12.416 ( -0.049 0.000 -4.185) 4.185 12.426 ( 4.805 0.000 -6.988) 8.480 12.602 ( 3.273 0.000 0.547) 3.318 12.863 ( 0.216 0.000 -0.622) 0.658 13.184 ( -10.449 0.000 4.634) 11.431 13.240 ( -2.640 0.000 -10.450) 10.778 13.893 ( 2.987 0.000 4.189) 5.145 13.992 ( 1.358 0.000 -0.326) 1.396 14.155 ( -1.337 0.000 -0.873) 1.597 14.164 ( -0.121 0.000 -2.858) 2.860 14.245 ( -0.813 0.000 4.352) 4.427 14.361 ( 3.223 0.000 3.966) 5.110 14.400 ( 1.345 0.000 3.710) 3.946 14.463 ( -3.356 0.000 0.133) 3.358 14.881 ( -2.192 0.000 0.778) 2.326 14.898 ( 0.732 0.000 0.810) 1.092 15.249 ( 2.615 0.000 4.600) 5.292 15.300 ( -8.579 0.000 -0.092) 8.580 15.470 ( -2.829 0.000 0.473) 2.868 15.618 ( -0.791 0.000 0.516) 0.945 15.755 ( 0.692 0.000 6.846) 6.880 15.898 ( -3.559 0.000 14.430) 14.863 16.017 ( -2.025 0.000 1.128) 2.318 16.310 ( 0.905 0.000 -1.821) 2.033 16.335 ( -2.392 0.000 -3.680) 4.389 16.388 ( -9.706 0.000 1.319) 9.795 16.516 ( -2.077 0.000 -2.862) 3.536 16.735 ( -2.499 0.000 -2.732) 3.703 16.751 ( 9.542 0.000 2.847) 9.958 16.921 ( 1.250 0.000 -4.925) 5.081 16.949 ( 11.051 0.000 -5.712) 12.440 17.471 ( 14.660 0.000 -9.853) 17.663 17.622 ( 5.015 0.000 -14.699) 15.531 17.680 ( 6.864 0.000 -8.992) 11.313 17.739 ( -3.137 0.000 -0.467) 3.171 18.085 ( 34.857 0.000 -30.790) 46.508 18.773 ( 1.568 0.000 -19.522) 19.585 18.820 ( -4.670 0.000 -19.035) 19.599 19.497 ( 1.582 0.000 -3.463) 3.808 19.612 ( 0.034 0.000 1.803) 1.804 19.828 ( -1.561 0.000 13.793) 13.881 20.011 ( -1.803 0.000 5.567) 5.852 20.458 ( 1.616 0.000 25.952) 26.002 21.220 ( -5.624 0.000 8.925) 10.549 21.385 ( -1.430 0.000 8.141) 8.266 21.764 ( -43.742 0.000 45.050) 62.792 ======================= Grid point 51 (19/80) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 30.350 0.000 12.184) 32.704 1.864 ( 37.736 0.000 8.176) 38.612 2.748 ( -9.636 0.000 5.170) 10.935 2.903 ( -2.272 0.000 18.543) 18.682 2.929 ( 3.189 0.000 15.105) 15.438 2.964 ( 19.666 0.000 15.317) 24.927 3.064 ( 17.993 0.000 20.556) 27.319 3.220 ( -6.492 0.000 2.675) 7.021 3.353 ( 2.134 0.000 6.253) 6.608 3.409 ( -23.903 0.000 6.719) 24.830 3.652 ( -11.629 0.000 -3.473) 12.137 3.777 ( 4.570 0.000 3.017) 5.477 3.935 ( 6.739 0.000 0.369) 6.749 3.937 ( 1.568 0.000 1.687) 2.303 3.946 ( -2.648 0.000 1.638) 3.114 4.019 ( -3.521 0.000 2.952) 4.595 4.149 ( -9.063 0.000 -0.028) 9.063 4.318 ( -6.008 0.000 1.094) 6.107 4.625 ( 1.459 0.000 -1.039) 1.791 4.638 ( 0.867 0.000 -1.963) 2.146 4.768 ( 1.498 0.000 1.963) 2.469 4.933 ( -4.151 0.000 2.060) 4.634 4.957 ( 6.178 0.000 -3.205) 6.960 5.006 ( 0.874 0.000 4.464) 4.549 5.206 ( -1.516 0.000 2.424) 2.859 5.255 ( -0.020 0.000 -3.414) 3.414 5.347 ( 4.509 0.000 3.639) 5.794 5.493 ( 1.746 0.000 4.067) 4.426 5.633 ( -2.188 0.000 1.964) 2.940 5.676 ( -5.121 0.000 -1.809) 5.431 5.725 ( 1.857 0.000 1.115) 2.166 5.815 ( -0.115 0.000 -5.100) 5.102 6.136 ( 0.133 0.000 -0.025) 0.135 6.179 ( 0.447 0.000 -4.995) 5.015 6.265 ( -2.736 0.000 1.785) 3.267 6.275 ( -7.965 0.000 -6.434) 10.239 6.364 ( -1.559 0.000 7.049) 7.220 6.471 ( 2.462 0.000 -9.324) 9.643 6.713 ( 5.795 0.000 15.959) 16.978 6.892 ( 2.353 0.000 6.717) 7.117 7.032 ( 0.356 0.000 5.390) 5.402 7.213 ( -3.569 0.000 0.003) 3.569 7.304 ( -2.315 0.000 -0.006) 2.315 7.417 ( -6.896 0.000 1.412) 7.039 7.491 ( -11.488 0.000 9.385) 14.834 7.557 ( -5.209 0.000 2.195) 5.652 7.968 ( 3.573 0.000 -2.136) 4.162 8.001 ( 1.313 0.000 -4.170) 4.372 8.121 ( 6.143 0.000 0.440) 6.159 8.207 ( -1.003 0.000 8.763) 8.821 8.501 ( 2.950 0.000 -5.061) 5.858 8.699 ( -6.268 0.000 -6.401) 8.959 8.752 ( -0.662 0.000 5.503) 5.542 8.929 ( -2.749 0.000 -0.891) 2.889 9.462 ( 1.544 0.000 -0.712) 1.700 9.595 ( -2.671 0.000 -3.236) 4.196 9.600 ( 12.543 0.000 -0.883) 12.575 9.739 ( 5.387 0.000 -9.305) 10.752 10.053 ( -0.004 0.000 -0.339) 0.339 10.079 ( 0.867 0.000 -1.395) 1.643 10.085 ( -7.749 0.000 -3.668) 8.573 10.227 ( 3.482 0.000 -5.005) 6.097 10.359 ( 2.978 0.000 -3.193) 4.366 10.395 ( 0.560 0.000 2.895) 2.948 10.510 ( 1.007 0.000 -0.411) 1.087 10.706 ( -7.831 0.000 5.550) 9.598 10.937 ( 7.683 0.000 -4.339) 8.823 11.014 ( 5.420 0.000 -5.074) 7.424 11.094 ( 0.052 0.000 -0.807) 0.809 11.277 ( -7.024 0.000 -1.919) 7.282 11.464 ( -4.591 0.000 1.983) 5.001 11.572 ( -10.645 0.000 -4.825) 11.687 12.107 ( 7.801 0.000 -5.701) 9.662 12.327 ( -0.762 0.000 -11.934) 11.958 12.452 ( 3.657 0.000 -6.209) 7.206 12.553 ( 4.820 0.000 -13.685) 14.509 12.693 ( 4.990 0.000 0.109) 4.992 12.853 ( -1.538 0.000 -0.580) 1.644 13.044 ( -2.264 0.000 4.063) 4.651 13.168 ( -4.021 0.000 -7.914) 8.877 13.970 ( 4.036 0.000 1.195) 4.209 14.040 ( 3.119 0.000 -2.667) 4.104 14.119 ( -2.227 0.000 -2.347) 3.236 14.156 ( -0.867 0.000 -4.961) 5.037 14.247 ( 0.818 0.000 4.822) 4.891 14.371 ( -4.930 0.000 2.471) 5.515 14.425 ( 1.547 0.000 5.254) 5.477 14.435 ( 3.011 0.000 5.264) 6.065 14.834 ( -1.601 0.000 0.785) 1.783 14.899 ( -1.439 0.000 -0.034) 1.440 15.183 ( -2.162 0.000 0.608) 2.246 15.280 ( -1.449 0.000 0.860) 1.685 15.438 ( 1.546 0.000 1.422) 2.100 15.579 ( -2.397 0.000 -1.683) 2.929 15.777 ( 1.478 0.000 9.610) 9.723 15.870 ( -1.404 0.000 13.387) 13.461 16.034 ( 3.670 0.000 -1.326) 3.902 16.209 ( -5.934 0.000 -0.528) 5.957 16.275 ( -2.199 0.000 -1.737) 2.802 16.344 ( 1.630 0.000 0.068) 1.632 16.451 ( -3.158 0.000 0.477) 3.194 16.521 ( -12.118 0.000 -2.171) 12.311 17.009 ( 11.945 0.000 -1.209) 12.006 17.089 ( 9.069 0.000 -2.426) 9.388 17.196 ( 12.045 0.000 -5.202) 13.120 17.508 ( -4.473 0.000 -7.092) 8.385 17.646 ( -3.503 0.000 -3.896) 5.239 17.646 ( -4.536 0.000 -2.845) 5.355 17.931 ( 16.674 0.000 -6.993) 18.081 18.605 ( -12.606 0.000 -16.343) 20.641 18.659 ( 16.776 0.000 -42.901) 46.064 18.858 ( 2.673 0.000 -23.665) 23.815 19.547 ( 3.035 0.000 -0.264) 3.047 19.613 ( -0.062 0.000 1.685) 1.686 19.802 ( -0.300 0.000 11.822) 11.826 19.945 ( -4.499 0.000 7.503) 8.749 20.512 ( 3.739 0.000 27.618) 27.869 20.909 ( -18.198 0.000 38.547) 42.627 21.344 ( -4.051 0.000 12.972) 13.590 21.348 ( -1.802 0.000 8.052) 8.251 ======================= Grid point 52 (20/80) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -25.416 0.000 6.076) 26.132 2.274 ( 25.416 0.000 6.076) 26.132 2.637 ( -30.062 0.000 8.019) 31.113 2.637 ( 30.062 0.000 8.019) 31.113 2.967 ( -4.954 0.000 6.237) 7.965 2.967 ( 4.954 0.000 6.237) 7.965 3.128 ( -5.940 0.000 11.558) 12.995 3.128 ( 5.940 0.000 11.558) 12.995 3.446 ( -7.519 0.000 0.734) 7.555 3.446 ( 7.519 0.000 0.734) 7.555 3.788 ( -24.885 0.000 14.959) 29.035 3.788 ( 24.885 0.000 14.959) 29.035 3.875 ( -4.354 0.000 1.868) 4.738 3.875 ( 4.354 0.000 1.868) 4.738 3.984 ( -3.602 0.000 1.279) 3.822 3.984 ( 3.602 0.000 1.279) 3.822 4.114 ( -8.934 0.000 1.990) 9.153 4.114 ( 8.934 0.000 1.990) 9.153 4.659 ( -0.012 0.000 -2.693) 2.693 4.659 ( 0.012 0.000 -2.693) 2.693 4.816 ( -4.314 0.000 2.390) 4.932 4.816 ( 4.314 0.000 2.390) 4.932 5.053 ( -0.879 0.000 -1.245) 1.524 5.053 ( 0.879 0.000 -1.245) 1.524 5.183 ( -3.412 0.000 -0.027) 3.412 5.183 ( 3.412 0.000 -0.027) 3.412 5.443 ( -4.127 0.000 2.189) 4.672 5.443 ( 4.127 0.000 2.189) 4.672 5.610 ( -0.389 0.000 6.121) 6.133 5.610 ( 0.389 0.000 6.121) 6.133 5.777 ( -2.818 0.000 -1.869) 3.382 5.777 ( 2.818 0.000 -1.869) 3.382 6.157 ( -2.491 0.000 -4.388) 5.046 6.157 ( 2.491 0.000 -4.388) 5.046 6.237 ( -0.223 0.000 -1.905) 1.918 6.237 ( 0.223 0.000 -1.905) 1.918 6.410 ( -6.946 0.000 -2.934) 7.540 6.410 ( 6.946 0.000 -2.934) 7.540 6.892 ( -5.605 0.000 10.447) 11.856 6.892 ( 5.605 0.000 10.447) 11.856 7.048 ( -4.727 0.000 2.848) 5.519 7.048 ( 4.727 0.000 2.848) 5.519 7.306 ( -2.562 0.000 2.045) 3.278 7.306 ( 2.562 0.000 2.045) 3.278 7.460 ( -4.082 0.000 6.342) 7.543 7.460 ( 4.082 0.000 6.342) 7.543 8.002 ( -0.541 0.000 -2.899) 2.949 8.002 ( 0.541 0.000 -2.899) 2.949 8.194 ( -1.203 0.000 3.297) 3.510 8.194 ( 1.203 0.000 3.297) 3.510 8.581 ( -4.872 0.000 -5.998) 7.727 8.581 ( 4.872 0.000 -5.998) 7.727 8.822 ( -5.762 0.000 4.836) 7.522 8.822 ( 5.762 0.000 4.836) 7.522 9.509 ( -4.049 0.000 -2.567) 4.794 9.509 ( 4.049 0.000 -2.567) 4.794 9.796 ( -2.878 0.000 -10.053) 10.456 9.796 ( 2.878 0.000 -10.053) 10.456 10.009 ( -1.497 0.000 -3.490) 3.798 10.009 ( 1.497 0.000 -3.490) 3.798 10.208 ( -7.648 0.000 1.829) 7.863 10.208 ( 7.648 0.000 1.829) 7.863 10.398 ( -1.052 0.000 2.792) 2.984 10.398 ( 1.052 0.000 2.792) 2.984 10.517 ( -2.471 0.000 0.217) 2.481 10.517 ( 2.471 0.000 0.217) 2.481 11.084 ( -0.991 0.000 -5.063) 5.159 11.084 ( 0.991 0.000 -5.063) 5.159 11.170 ( -7.313 0.000 -3.204) 7.984 11.170 ( 7.313 0.000 -3.204) 7.984 11.394 ( -2.045 0.000 1.370) 2.461 11.394 ( 2.045 0.000 1.370) 2.461 12.252 ( -5.639 0.000 -7.272) 9.203 12.252 ( 5.639 0.000 -7.272) 9.203 12.546 ( -4.130 0.000 -10.141) 10.950 12.546 ( 4.130 0.000 -10.141) 10.950 12.793 ( -4.070 0.000 -0.374) 4.087 12.793 ( 4.070 0.000 -0.374) 4.087 13.079 ( -4.057 0.000 -3.341) 5.256 13.079 ( 4.057 0.000 -3.341) 5.256 14.051 ( -3.323 0.000 -2.932) 4.432 14.051 ( 3.323 0.000 -2.932) 4.432 14.118 ( -2.805 0.000 -3.037) 4.135 14.118 ( 2.805 0.000 -3.037) 4.135 14.283 ( -2.889 0.000 4.409) 5.271 14.283 ( 2.889 0.000 4.409) 5.271 14.458 ( -0.890 0.000 5.235) 5.310 14.458 ( 0.890 0.000 5.235) 5.310 14.843 ( -2.538 0.000 0.433) 2.574 14.843 ( 2.538 0.000 0.433) 2.574 15.208 ( -3.615 0.000 1.071) 3.770 15.208 ( 3.615 0.000 1.071) 3.770 15.512 ( -3.998 0.000 -1.760) 4.368 15.512 ( 3.998 0.000 -1.760) 4.368 15.821 ( -2.634 0.000 12.955) 13.220 15.821 ( 2.634 0.000 12.955) 13.220 16.127 ( -3.433 0.000 -3.499) 4.902 16.127 ( 3.433 0.000 -3.499) 4.902 16.300 ( -6.134 0.000 0.530) 6.157 16.300 ( 6.134 0.000 0.530) 6.157 16.394 ( -2.152 0.000 1.018) 2.381 16.394 ( 2.152 0.000 1.018) 2.381 17.181 ( -2.647 0.000 -3.826) 4.652 17.181 ( 2.647 0.000 -3.826) 4.652 17.411 ( -6.397 0.000 -4.624) 7.893 17.411 ( 6.397 0.000 -4.624) 7.893 17.565 ( -0.702 0.000 -3.069) 3.148 17.565 ( 0.702 0.000 -3.069) 3.148 18.292 ( -16.652 0.000 -11.256) 20.100 18.292 ( 16.652 0.000 -11.256) 20.100 18.858 ( -3.634 0.000 -32.870) 33.070 18.858 ( 3.634 0.000 -32.870) 33.070 19.601 ( -1.466 0.000 1.530) 2.119 19.601 ( 1.466 0.000 1.530) 2.119 19.842 ( -4.229 0.000 10.204) 11.046 19.842 ( 4.229 0.000 10.204) 11.046 20.633 ( -8.492 0.000 32.669) 33.754 20.633 ( 8.492 0.000 32.669) 33.754 21.320 ( -0.561 0.000 8.314) 8.333 21.320 ( 0.561 0.000 8.314) 8.333 ======================= Grid point 56 (21/80) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 29.571 25.189) 38.845 1.140 ( 0.000 25.430 31.089) 40.165 1.790 ( 0.000 42.000 44.944) 61.514 2.857 ( 0.000 -5.316 11.712) 12.862 2.909 ( 0.000 -4.321 14.154) 14.799 2.986 ( 0.000 -17.363 23.855) 29.505 3.286 ( 0.000 4.342 2.661) 5.092 3.380 ( 0.000 5.294 4.420) 6.897 3.387 ( 0.000 -3.824 5.057) 6.340 3.517 ( 0.000 -2.073 1.133) 2.362 3.684 ( 0.000 3.143 1.006) 3.300 3.876 ( 0.000 4.237 12.859) 13.539 3.932 ( 0.000 -2.006 0.808) 2.162 4.058 ( 0.000 5.262 3.512) 6.327 4.134 ( 0.000 5.645 1.297) 5.792 4.377 ( 0.000 -4.184 0.752) 4.251 4.426 ( 0.000 -2.213 -6.234) 6.615 4.512 ( 0.000 13.249 -15.726) 20.563 4.659 ( 0.000 1.062 0.235) 1.087 4.808 ( 0.000 -2.299 -2.212) 3.190 4.815 ( 0.000 -1.993 -2.505) 3.201 4.911 ( 0.000 2.544 -2.517) 3.579 4.972 ( 0.000 -3.718 0.340) 3.733 5.001 ( 0.000 2.503 2.684) 3.670 5.072 ( 0.000 5.958 0.616) 5.990 5.091 ( 0.000 1.489 5.118) 5.331 5.178 ( 0.000 -3.945 4.681) 6.122 5.381 ( 0.000 -2.548 10.060) 10.377 5.456 ( 0.000 -11.303 -3.077) 11.714 5.699 ( 0.000 -1.739 -1.272) 2.154 5.723 ( 0.000 5.383 -15.542) 16.448 5.849 ( 0.000 0.888 -4.932) 5.011 6.156 ( 0.000 -3.258 7.397) 8.083 6.194 ( 0.000 3.949 -8.161) 9.066 6.365 ( 0.000 0.813 10.436) 10.468 6.406 ( 0.000 -0.139 0.105) 0.174 6.493 ( 0.000 -3.468 2.831) 4.477 6.504 ( 0.000 -1.690 -0.177) 1.699 6.788 ( 0.000 2.040 7.463) 7.737 6.908 ( 0.000 2.334 -1.347) 2.695 7.105 ( 0.000 2.702 5.688) 6.297 7.173 ( 0.000 -0.625 4.464) 4.508 7.345 ( 0.000 -6.292 -3.233) 7.074 7.617 ( 0.000 -12.093 6.408) 13.686 7.628 ( 0.000 3.588 1.137) 3.764 7.712 ( 0.000 5.323 -2.778) 6.004 7.837 ( 0.000 3.551 -5.391) 6.456 8.158 ( 0.000 4.931 4.669) 6.791 8.242 ( 0.000 12.534 -19.793) 23.427 8.265 ( 0.000 -5.001 -3.755) 6.254 8.512 ( 0.000 8.485 10.870) 13.790 8.641 ( 0.000 -3.436 -0.539) 3.478 8.841 ( 0.000 -6.295 -3.254) 7.086 9.005 ( 0.000 3.546 3.478) 4.967 9.108 ( 0.000 1.412 -2.351) 2.742 9.418 ( 0.000 -11.836 11.547) 16.536 9.521 ( 0.000 -3.433 -0.719) 3.507 9.620 ( 0.000 -3.004 -6.738) 7.378 9.866 ( 0.000 3.763 -3.354) 5.040 9.973 ( 0.000 -3.076 -2.035) 3.688 10.189 ( 0.000 -2.552 3.756) 4.541 10.210 ( 0.000 -10.419 1.349) 10.506 10.418 ( 0.000 2.344 -5.458) 5.940 10.432 ( 0.000 1.672 -3.207) 3.617 10.482 ( 0.000 9.370 -8.446) 12.614 10.551 ( 0.000 5.369 -1.103) 5.481 10.729 ( 0.000 -5.247 -1.669) 5.506 11.052 ( 0.000 -1.391 -2.753) 3.084 11.108 ( 0.000 -2.277 -1.162) 2.557 11.359 ( 0.000 -9.205 -1.926) 9.404 11.424 ( 0.000 10.762 5.533) 12.101 11.750 ( 0.000 0.273 -9.296) 9.300 12.042 ( 0.000 1.411 -8.914) 9.025 12.272 ( 0.000 -5.510 -7.100) 8.987 12.317 ( 0.000 10.747 -5.326) 11.995 12.439 ( 0.000 1.335 -4.038) 4.253 12.619 ( 0.000 3.926 -0.140) 3.928 12.831 ( 0.000 -2.897 -0.795) 3.004 13.095 ( 0.000 -14.005 4.560) 14.729 13.218 ( 0.000 -4.871 -10.350) 11.439 13.906 ( 0.000 3.082 5.136) 5.990 13.998 ( 0.000 1.830 0.329) 1.859 14.175 ( 0.000 -0.719 0.314) 0.785 14.214 ( 0.000 -2.410 -0.806) 2.541 14.265 ( 0.000 2.727 3.905) 4.763 14.292 ( 0.000 0.987 6.776) 6.848 14.349 ( 0.000 2.130 3.286) 3.916 14.540 ( 0.000 -0.672 3.943) 4.000 14.900 ( 0.000 2.318 -0.767) 2.442 14.925 ( 0.000 1.734 0.945) 1.974 15.314 ( 0.000 2.003 -5.906) 6.236 15.422 ( 0.000 -3.903 -0.559) 3.943 15.604 ( 0.000 5.413 0.563) 5.442 15.680 ( 0.000 4.923 2.617) 5.576 15.754 ( 0.000 1.040 6.582) 6.663 16.005 ( 0.000 -3.585 2.746) 4.516 16.198 ( 0.000 -8.263 -2.694) 8.692 16.314 ( 0.000 1.457 -4.079) 4.331 16.327 ( 0.000 10.298 -3.549) 10.892 16.402 ( 0.000 -4.199 5.417) 6.854 16.650 ( 0.000 6.488 -0.798) 6.536 16.731 ( 0.000 -1.925 -2.343) 3.033 16.751 ( 0.000 8.019 -0.566) 8.039 16.800 ( 0.000 6.598 -2.044) 6.908 16.989 ( 0.000 7.692 -12.279) 14.489 17.114 ( 0.000 5.707 -7.223) 9.205 17.244 ( 0.000 -2.246 -11.493) 11.710 17.686 ( 0.000 -3.727 0.481) 3.758 17.707 ( 0.000 -5.755 2.509) 6.278 17.749 ( 0.000 -2.351 0.005) 2.351 18.828 ( 0.000 4.950 -30.278) 30.680 18.882 ( 0.000 -0.043 -22.452) 22.452 19.542 ( 0.000 4.689 -4.082) 6.217 19.612 ( 0.000 0.079 1.912) 1.913 19.876 ( 0.000 2.698 15.973) 16.199 20.046 ( 0.000 1.341 8.595) 8.699 20.492 ( 0.000 5.219 22.276) 22.879 21.240 ( 0.000 -2.597 4.175) 4.917 21.351 ( 0.000 -4.362 7.774) 8.914 21.925 ( 0.000 -38.096 33.337) 50.623 ======================= Grid point 57 (22/80) ======================= q-point: ( 0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 24.120 20.286 18.594) 36.593 1.452 ( 21.675 29.269 18.093) 40.668 2.228 ( 36.143 27.967 38.418) 59.703 2.871 ( 1.198 -5.563 15.208) 16.238 2.909 ( -0.246 -3.413 11.559) 12.055 2.942 ( -1.401 -7.973 17.276) 19.079 3.231 ( -6.522 10.902 2.916) 13.035 3.369 ( -2.482 2.806 5.986) 7.061 3.379 ( -0.731 4.266 5.469) 6.975 3.535 ( 3.553 -12.656 2.167) 13.323 3.710 ( 1.615 1.371 -0.219) 2.130 3.787 ( -8.284 2.394 10.071) 13.258 3.893 ( -5.757 -0.268 3.524) 6.755 4.028 ( -1.399 4.199 0.107) 4.427 4.122 ( -1.532 6.250 1.547) 6.619 4.269 ( -10.692 6.217 -2.796) 12.680 4.306 ( -6.802 -0.027 -1.902) 7.063 4.434 ( -3.719 5.936 -6.751) 9.728 4.657 ( -2.587 1.383 0.265) 2.945 4.713 ( -2.888 -1.113 0.847) 3.209 4.785 ( -6.160 4.264 0.178) 7.494 4.864 ( 2.684 0.463 -2.279) 3.551 4.958 ( 2.202 0.970 0.921) 2.577 5.010 ( 0.490 -1.083 3.669) 3.856 5.110 ( 2.344 -4.451 -1.405) 5.223 5.172 ( 3.212 -2.701 1.568) 4.480 5.277 ( -1.569 -3.416 6.140) 7.199 5.360 ( 9.090 1.548 4.423) 10.227 5.523 ( 2.826 -10.283 -0.720) 10.688 5.696 ( -0.862 -1.507 1.297) 2.167 5.738 ( 2.422 5.533 -11.666) 13.137 5.861 ( 0.334 1.990 -4.864) 5.266 6.139 ( -1.208 -1.246 3.430) 3.844 6.268 ( 4.624 2.544 -3.817) 6.514 6.329 ( -1.169 0.840 2.897) 3.235 6.372 ( -3.816 3.962 4.285) 6.973 6.410 ( -4.598 -3.154 0.892) 5.647 6.475 ( -3.404 -1.087 -1.165) 3.759 6.769 ( -2.200 0.059 5.507) 5.931 6.845 ( -3.717 4.201 6.829) 8.837 7.072 ( 0.160 3.528 6.963) 7.808 7.175 ( 0.800 -1.716 3.625) 4.090 7.350 ( -2.219 -5.258 -3.356) 6.620 7.574 ( -3.199 2.072 1.892) 4.255 7.619 ( -4.214 -9.958 5.155) 11.979 7.759 ( -3.791 4.416 -3.677) 6.884 7.879 ( 4.580 0.410 -5.380) 7.078 8.004 ( -4.887 6.484 -6.257) 10.251 8.120 ( -1.595 6.517 4.764) 8.229 8.280 ( -6.451 3.322 8.603) 11.255 8.425 ( 2.481 -1.541 -7.096) 7.673 8.744 ( -5.491 -6.778 -1.120) 8.795 8.776 ( -3.350 -5.732 1.285) 6.763 8.945 ( 1.590 4.955 -2.856) 5.936 9.305 ( 10.365 2.819 3.577) 11.322 9.425 ( -0.045 -11.683 3.724) 12.262 9.549 ( 3.020 -3.559 -3.089) 5.597 9.641 ( 1.979 -1.745 -5.929) 6.489 9.831 ( 0.066 -5.028 -0.432) 5.047 10.088 ( 5.848 1.591 -5.011) 7.864 10.218 ( 1.740 -3.783 0.976) 4.276 10.288 ( 3.625 -4.639 2.439) 6.373 10.336 ( -5.943 1.511 -3.223) 6.927 10.424 ( 1.541 2.688 -5.880) 6.646 10.455 ( -1.235 6.081 -3.206) 6.985 10.626 ( 5.730 4.209 0.468) 7.125 10.770 ( 2.860 -7.517 -1.238) 8.138 11.054 ( 0.294 -1.681 -2.861) 3.331 11.129 ( -3.078 -4.382 -5.413) 7.614 11.286 ( -2.914 -3.401 0.589) 4.518 11.459 ( 0.096 -0.249 2.190) 2.206 11.758 ( -3.434 1.330 -7.275) 8.154 12.096 ( 3.812 3.883 -11.808) 13.002 12.242 ( 3.230 1.079 -9.729) 10.308 12.392 ( 3.394 0.303 -6.541) 7.376 12.448 ( 1.922 2.491 -4.697) 5.653 12.654 ( 2.981 3.566 -0.970) 4.748 12.838 ( 0.439 -2.585 -0.846) 2.755 13.055 ( -2.376 -7.514 4.600) 9.125 13.214 ( -0.894 -3.279 -9.380) 9.977 13.898 ( -0.162 0.621 5.082) 5.123 14.023 ( 2.077 2.685 -1.887) 3.884 14.142 ( -2.017 -1.410 -0.157) 2.466 14.188 ( -0.783 -0.337 -0.954) 1.280 14.259 ( -0.430 2.645 1.998) 3.343 14.356 ( 3.486 0.204 5.045) 6.136 14.387 ( 2.595 1.250 4.415) 5.272 14.499 ( -3.161 0.842 4.512) 5.573 14.899 ( -1.547 1.270 0.861) 2.178 14.913 ( 0.218 2.207 -0.636) 2.307 15.285 ( -3.273 1.109 -2.716) 4.395 15.389 ( -1.158 1.181 -0.041) 1.654 15.509 ( -6.264 6.925 -0.446) 9.349 15.675 ( -2.860 4.688 0.748) 5.543 15.754 ( 0.330 0.109 7.497) 7.505 15.919 ( -6.808 2.391 13.753) 15.531 15.992 ( -1.769 -1.466 1.670) 2.841 16.212 ( -2.085 -7.555 -2.936) 8.369 16.329 ( 0.647 1.864 -3.038) 3.623 16.485 ( -5.949 5.150 0.698) 7.900 16.577 ( -5.970 5.089 -2.016) 8.099 16.742 ( 7.230 1.017 1.355) 7.426 16.775 ( -2.468 1.891 -3.960) 5.035 16.921 ( 7.115 1.925 -6.399) 9.761 17.026 ( 5.631 4.883 -1.312) 7.567 17.408 ( 15.506 -5.467 -10.915) 19.734 17.528 ( 8.040 -6.912 -12.100) 16.088 17.603 ( -1.606 -5.186 -2.572) 6.008 17.772 ( 2.445 0.434 -0.964) 2.663 17.985 ( 26.235 -6.714 -13.952) 30.464 18.806 ( -5.562 0.773 -23.008) 23.683 18.853 ( 0.363 2.316 -28.122) 28.220 19.555 ( 1.164 4.301 -3.054) 5.402 19.613 ( 0.159 0.196 1.848) 1.865 19.854 ( -1.783 2.459 15.023) 15.327 20.028 ( -1.848 1.228 9.139) 9.404 20.507 ( 1.450 5.047 22.284) 22.894 21.179 ( -7.595 -4.194 10.986) 13.999 21.333 ( -1.675 -4.348 8.052) 9.303 21.559 ( -21.662 -13.783 33.901) 42.526 ======================= Grid point 58 (23/80) ======================= q-point: ( 0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 27.639 18.513 10.390) 34.851 1.996 ( 32.456 17.522 7.771) 37.693 2.875 ( 2.371 -0.203 14.625) 14.818 2.893 ( -1.808 2.484 7.553) 8.154 2.917 ( -4.198 2.859 7.465) 9.029 3.023 ( -1.027 4.129 9.194) 10.131 3.133 ( 32.294 12.995 24.582) 42.615 3.261 ( -6.636 4.094 3.637) 8.604 3.360 ( -3.937 2.084 8.566) 9.655 3.470 ( -16.385 4.186 8.233) 18.809 3.623 ( -6.180 -4.202 -2.956) 8.037 3.691 ( 4.359 -11.288 3.953) 12.730 3.831 ( 3.219 5.040 3.982) 7.185 3.986 ( -3.999 0.059 0.792) 4.077 4.061 ( -4.059 5.357 1.801) 6.958 4.109 ( -7.665 -0.960 -0.352) 7.733 4.174 ( -1.338 9.693 1.831) 9.954 4.365 ( -4.037 3.967 -1.211) 5.788 4.613 ( 0.603 0.169 -1.723) 1.833 4.675 ( -1.221 0.936 -1.636) 2.246 4.776 ( 2.333 0.888 0.144) 2.501 4.917 ( 0.787 -0.202 -1.025) 1.307 4.964 ( -1.581 0.266 -0.029) 1.603 5.024 ( 1.898 1.040 4.049) 4.591 5.102 ( -1.811 -8.837 -3.202) 9.572 5.224 ( 0.474 -2.661 1.841) 3.270 5.328 ( 5.072 -3.320 5.760) 8.363 5.491 ( 1.751 -0.206 2.689) 3.215 5.585 ( 3.134 -6.612 1.665) 7.504 5.644 ( -3.190 -0.434 3.791) 4.973 5.767 ( -2.368 4.733 -2.630) 5.910 5.837 ( -2.518 1.810 -2.800) 4.178 6.132 ( 0.819 -0.168 0.204) 0.861 6.216 ( -1.314 2.488 -3.818) 4.743 6.266 ( -5.453 -0.547 -4.583) 7.144 6.296 ( -4.123 1.588 -0.503) 4.447 6.399 ( 0.995 3.462 5.681) 6.727 6.490 ( 3.367 1.968 -8.852) 9.673 6.744 ( 4.492 3.171 14.038) 15.077 6.870 ( 2.946 -1.192 6.924) 7.618 7.076 ( -1.060 2.785 6.093) 6.782 7.178 ( -2.224 -3.497 -0.086) 4.145 7.299 ( -0.662 -0.751 1.388) 1.711 7.400 ( -12.095 -4.697 6.333) 14.438 7.480 ( -5.200 3.803 2.386) 6.870 7.598 ( -7.347 2.791 2.133) 8.143 7.969 ( 3.431 0.416 -4.906) 6.001 8.030 ( 2.648 2.580 -4.802) 6.061 8.161 ( 3.014 3.344 1.085) 4.631 8.210 ( -0.852 0.594 8.029) 8.095 8.447 ( 0.400 -6.092 -6.787) 9.129 8.593 ( -6.814 -8.194 -4.512) 11.573 8.707 ( -0.573 -5.463 5.004) 7.431 8.911 ( -5.359 -2.132 3.195) 6.593 9.383 ( 0.481 -6.355 -0.222) 6.377 9.536 ( -3.633 -4.119 -2.374) 5.983 9.630 ( 13.777 3.328 -2.891) 14.465 9.716 ( 4.274 -1.428 -4.544) 6.400 9.889 ( 4.770 -8.308 0.859) 9.619 10.136 ( -4.143 2.717 -3.498) 6.065 10.160 ( -0.426 5.233 -6.351) 8.240 10.288 ( -0.877 -4.346 -2.902) 5.299 10.348 ( 3.100 3.802 2.722) 5.611 10.447 ( 0.322 3.526 -0.812) 3.632 10.486 ( 2.427 -0.424 -1.495) 2.882 10.680 ( -4.809 -2.398 4.987) 7.331 10.897 ( 11.126 -2.451 -4.503) 12.250 11.033 ( -1.106 -0.616 -8.223) 8.320 11.073 ( -0.052 -2.024 -1.116) 2.312 11.221 ( -3.390 -3.386 0.600) 4.829 11.412 ( -3.732 -2.585 1.494) 4.779 11.592 ( -10.670 0.778 -4.014) 11.426 12.169 ( 4.040 4.163 -6.520) 8.727 12.307 ( -0.090 -1.730 -10.545) 10.686 12.468 ( 4.399 1.258 -8.110) 9.312 12.546 ( 5.258 0.549 -11.371) 12.539 12.716 ( 2.232 1.100 -1.858) 3.106 12.832 ( -1.413 -2.100 -0.950) 2.704 13.040 ( 1.561 0.405 2.691) 3.137 13.177 ( -2.551 0.452 -7.431) 7.869 13.918 ( 2.204 -3.127 3.156) 4.959 14.058 ( -1.231 -1.650 -5.044) 5.448 14.101 ( 0.538 0.602 -0.651) 1.037 14.190 ( -0.323 2.642 -3.274) 4.219 14.259 ( 1.085 1.060 2.916) 3.287 14.379 ( -2.591 0.556 1.489) 3.039 14.433 ( 2.189 1.101 6.529) 6.974 14.470 ( 1.117 2.685 7.251) 7.813 14.854 ( -1.627 1.743 0.783) 2.510 14.913 ( -1.324 1.262 -0.661) 1.945 15.214 ( -1.463 2.850 0.656) 3.270 15.368 ( -5.585 6.987 -0.369) 8.952 15.430 ( 2.936 -0.723 0.815) 3.131 15.598 ( -3.649 1.651 -0.556) 4.044 15.772 ( 1.237 -0.582 9.670) 9.766 15.854 ( -1.976 -1.367 13.548) 13.759 16.022 ( 4.252 -0.704 -0.949) 4.413 16.166 ( -1.701 -3.064 -2.407) 4.251 16.295 ( -3.708 1.807 -2.708) 4.935 16.415 ( -0.861 4.625 2.011) 5.116 16.447 ( -6.322 1.033 -2.848) 7.010 16.570 ( -7.850 4.023 1.125) 8.893 17.009 ( 11.289 0.595 -0.633) 11.322 17.098 ( 8.175 0.230 -6.741) 10.598 17.217 ( 9.634 1.955 -2.254) 10.085 17.470 ( -3.642 -3.681 -6.805) 8.551 17.537 ( -1.979 -6.498 -4.941) 8.400 17.656 ( -1.226 -2.519 -2.748) 3.924 17.942 ( 15.144 1.331 -5.649) 16.218 18.492 ( 15.687 -11.339 -24.887) 31.529 18.619 ( -9.441 0.346 -17.912) 20.250 18.859 ( -0.947 -1.824 -29.359) 29.431 19.589 ( 1.834 2.934 -0.176) 3.465 19.618 ( 0.249 0.590 1.852) 1.960 19.824 ( -0.390 1.996 12.851) 13.011 19.962 ( -4.443 1.074 10.681) 11.618 20.555 ( 3.282 4.441 23.011) 23.664 20.890 ( -14.838 -1.102 29.737) 33.252 21.294 ( -1.352 -3.443 8.265) 9.055 21.332 ( -3.619 -2.940 11.147) 12.083 ======================= Grid point 59 (24/80) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -21.314 18.117 4.328) 28.306 2.493 ( 21.314 18.117 4.328) 28.306 2.691 ( -24.443 5.786 8.967) 26.671 2.691 ( 24.443 5.786 8.967) 26.671 2.950 ( -4.576 -1.365 5.596) 7.356 2.950 ( 4.576 -1.365 5.596) 7.356 3.158 ( -4.753 3.168 10.380) 11.848 3.158 ( 4.753 3.168 10.380) 11.848 3.456 ( -6.213 0.651 1.608) 6.450 3.456 ( 6.213 0.651 1.608) 6.450 3.778 ( -11.571 -2.792 10.627) 15.957 3.778 ( 11.571 -2.792 10.627) 15.957 3.891 ( -10.343 1.015 7.864) 13.033 3.891 ( 10.343 1.015 7.864) 13.033 3.963 ( -4.937 2.711 -0.628) 5.667 3.963 ( 4.937 2.711 -0.628) 5.667 4.228 ( -6.069 8.067 2.205) 10.333 4.228 ( 6.069 8.067 2.205) 10.333 4.653 ( -1.642 -0.942 -3.768) 4.217 4.653 ( 1.642 -0.942 -3.768) 4.217 4.846 ( -4.735 2.782 1.948) 5.827 4.846 ( 4.735 2.782 1.948) 5.827 4.989 ( -3.737 -5.594 -3.149) 7.428 4.989 ( 3.737 -5.594 -3.149) 7.428 5.163 ( -5.698 -2.039 1.988) 6.370 5.163 ( 5.698 -2.039 1.988) 6.370 5.430 ( -4.588 -2.103 3.270) 6.014 5.430 ( 4.588 -2.103 3.270) 6.014 5.621 ( -0.746 0.211 5.721) 5.773 5.621 ( 0.746 0.211 5.721) 5.773 5.760 ( -3.450 0.646 -0.963) 3.640 5.760 ( 3.450 0.646 -0.963) 3.640 6.167 ( -2.802 0.662 -3.503) 4.535 6.167 ( 2.802 0.662 -3.503) 4.535 6.251 ( -1.290 0.691 -2.531) 2.924 6.251 ( 1.290 0.691 -2.531) 2.924 6.460 ( -5.260 4.650 -2.855) 7.579 6.460 ( 5.260 4.650 -2.855) 7.579 6.895 ( -4.108 0.534 9.056) 9.959 6.895 ( 4.108 0.534 9.056) 9.959 7.064 ( -4.056 1.132 4.662) 6.282 7.064 ( 4.056 1.132 4.662) 6.282 7.278 ( -2.453 -3.746 2.934) 5.353 7.278 ( 2.453 -3.746 2.934) 5.353 7.475 ( -4.394 2.932 4.291) 6.805 7.475 ( 4.394 2.932 4.291) 6.805 8.028 ( -2.133 2.287 -4.126) 5.177 8.028 ( 2.133 2.287 -4.126) 5.177 8.204 ( -1.108 0.569 2.412) 2.714 8.204 ( 1.108 0.569 2.412) 2.714 8.483 ( -3.439 -8.719 -5.970) 11.113 8.483 ( 3.439 -8.719 -5.970) 11.113 8.775 ( -6.165 -5.111 6.457) 10.287 8.775 ( 6.165 -5.111 6.457) 10.287 9.437 ( -4.500 -4.582 -1.399) 6.573 9.437 ( 4.500 -4.582 -1.399) 6.573 9.768 ( -1.697 -2.541 -5.938) 6.678 9.768 ( 1.697 -2.541 -5.938) 6.678 10.041 ( -7.560 1.528 -3.403) 8.430 10.041 ( 7.560 1.528 -3.403) 8.430 10.207 ( -5.591 0.519 -2.007) 5.963 10.207 ( 5.591 0.519 -2.007) 5.963 10.430 ( -3.211 2.467 2.056) 4.541 10.430 ( 3.211 2.467 2.056) 4.541 10.537 ( -4.787 1.680 1.290) 5.235 10.537 ( 4.787 1.680 1.290) 5.235 11.057 ( -1.844 -2.342 -5.524) 6.277 11.057 ( 1.844 -2.342 -5.524) 6.277 11.129 ( -7.763 -3.455 -3.087) 9.040 11.129 ( 7.763 -3.455 -3.087) 9.040 11.393 ( -5.043 -0.160 0.949) 5.134 11.393 ( 5.043 -0.160 0.949) 5.134 12.258 ( -3.846 0.439 -6.921) 7.930 12.258 ( 3.846 0.439 -6.921) 7.930 12.563 ( -3.462 1.499 -11.146) 11.767 12.563 ( 3.462 1.499 -11.146) 11.767 12.775 ( -3.583 -1.683 -0.663) 4.014 12.775 ( 3.583 -1.683 -0.663) 4.014 13.108 ( -3.892 2.618 -3.507) 5.857 13.108 ( 3.892 2.618 -3.507) 5.857 13.985 ( -3.908 -4.789 -0.147) 6.183 13.985 ( 3.908 -4.789 -0.147) 6.183 14.153 ( -2.689 2.725 -4.281) 5.743 14.153 ( 2.689 2.725 -4.281) 5.743 14.310 ( -3.222 1.545 2.861) 4.578 14.310 ( 3.222 1.545 2.861) 4.578 14.474 ( -1.270 1.639 6.728) 7.041 14.474 ( 1.270 1.639 6.728) 7.041 14.862 ( -2.346 1.628 0.178) 2.861 14.862 ( 2.346 1.628 0.178) 2.861 15.252 ( -4.462 3.919 1.165) 6.052 15.252 ( 4.462 3.919 1.165) 6.052 15.516 ( -4.272 0.108 -1.207) 4.440 15.516 ( 4.272 0.108 -1.207) 4.440 15.807 ( -2.131 -1.269 12.265) 12.513 15.807 ( 2.131 -1.269 12.265) 12.513 16.128 ( -3.635 0.231 -2.359) 4.340 16.128 ( 3.635 0.231 -2.359) 4.340 16.277 ( -4.504 -0.959 -2.421) 5.203 16.277 ( 4.504 -0.959 -2.421) 5.203 16.465 ( -3.121 5.561 2.794) 6.962 16.465 ( 3.121 5.561 2.794) 6.962 17.175 ( -3.044 -0.479 -4.108) 5.136 17.175 ( 3.044 -0.479 -4.108) 5.136 17.372 ( -5.747 -3.506 -5.147) 8.475 17.372 ( 5.747 -3.506 -5.147) 8.475 17.562 ( -5.387 -0.582 -2.699) 6.054 17.562 ( 5.387 -0.582 -2.699) 6.054 18.292 ( -16.398 0.245 -11.134) 19.822 18.292 ( 16.398 0.245 -11.134) 19.822 18.778 ( -7.476 -7.007 -27.757) 29.588 18.778 ( 7.476 -7.007 -27.757) 29.588 19.617 ( -0.620 1.300 1.897) 2.382 19.617 ( 0.620 1.300 1.897) 2.382 19.862 ( -4.031 1.506 11.715) 12.480 19.862 ( 4.031 1.506 11.715) 12.480 20.660 ( -7.267 2.933 26.017) 27.172 20.660 ( 7.267 2.933 26.017) 27.172 21.289 ( -0.895 -3.050 8.213) 8.806 21.289 ( 0.895 -3.050 8.213) 8.806 ======================= Grid point 63 (25/80) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 28.494 21.866) 35.917 1.730 ( 0.000 30.720 18.515) 35.868 2.648 ( 0.000 -14.462 19.594) 24.354 2.754 ( 0.000 46.854 21.570) 51.580 2.803 ( 0.000 -4.837 13.424) 14.269 2.842 ( 0.000 -2.801 8.173) 8.639 2.955 ( 0.000 -21.527 7.596) 22.828 3.490 ( 0.000 7.931 4.104) 8.930 3.508 ( 0.000 6.475 5.907) 8.765 3.673 ( 0.000 5.818 -2.814) 6.463 3.718 ( 0.000 -1.450 -4.874) 5.085 3.906 ( 0.000 1.085 7.106) 7.188 4.029 ( 0.000 10.585 19.631) 22.303 4.092 ( 0.000 0.694 0.569) 0.897 4.269 ( 0.000 3.367 -0.017) 3.367 4.325 ( 0.000 0.334 -1.990) 2.018 4.383 ( 0.000 -0.707 -6.682) 6.719 4.463 ( 0.000 -20.517 -0.126) 20.518 4.650 ( 0.000 1.150 -12.347) 12.400 4.766 ( 0.000 -1.143 0.339) 1.193 4.806 ( 0.000 1.629 -4.911) 5.175 4.926 ( 0.000 -2.630 -0.190) 2.636 4.940 ( 0.000 1.171 -1.398) 1.824 5.033 ( 0.000 1.198 6.703) 6.810 5.068 ( 0.000 -4.739 3.254) 5.749 5.151 ( 0.000 -1.178 7.429) 7.522 5.197 ( 0.000 -7.819 -0.100) 7.820 5.273 ( 0.000 11.566 -0.238) 11.569 5.330 ( 0.000 -2.252 9.043) 9.319 5.646 ( 0.000 -4.007 1.540) 4.293 5.808 ( 0.000 2.910 -11.993) 12.341 5.842 ( 0.000 -0.612 -3.600) 3.651 6.128 ( 0.000 0.260 5.681) 5.687 6.232 ( 0.000 -2.151 -1.988) 2.929 6.370 ( 0.000 0.972 8.797) 8.851 6.411 ( 0.000 0.904 2.558) 2.713 6.475 ( 0.000 -1.141 -1.465) 1.857 6.523 ( 0.000 5.261 -7.835) 9.437 6.761 ( 0.000 -2.453 5.088) 5.648 6.974 ( 0.000 3.953 -0.622) 4.002 7.107 ( 0.000 -5.560 1.949) 5.892 7.170 ( 0.000 3.168 6.915) 7.606 7.214 ( 0.000 -6.411 -1.803) 6.659 7.398 ( 0.000 -8.775 7.231) 11.371 7.737 ( 0.000 6.789 -0.194) 6.792 7.824 ( 0.000 5.037 -4.031) 6.451 7.926 ( 0.000 4.496 -6.591) 7.978 8.120 ( 0.000 -6.569 -3.406) 7.400 8.278 ( 0.000 5.267 6.087) 8.050 8.353 ( 0.000 1.279 -12.326) 12.392 8.554 ( 0.000 -5.209 2.076) 5.607 8.634 ( 0.000 -11.642 -3.067) 12.040 8.716 ( 0.000 10.609 9.508) 14.246 9.055 ( 0.000 -1.583 8.390) 8.538 9.205 ( 0.000 6.669 -3.302) 7.442 9.289 ( 0.000 1.426 4.357) 4.585 9.445 ( 0.000 -4.112 -0.854) 4.199 9.573 ( 0.000 -1.914 -5.353) 5.685 9.841 ( 0.000 -8.556 -0.686) 8.584 9.860 ( 0.000 -7.449 -1.728) 7.647 10.061 ( 0.000 -0.711 3.621) 3.691 10.143 ( 0.000 -1.991 3.987) 4.457 10.424 ( 0.000 0.149 -2.878) 2.882 10.457 ( 0.000 0.208 -4.952) 4.956 10.570 ( 0.000 1.026 -3.292) 3.448 10.611 ( 0.000 -2.125 2.775) 3.495 10.694 ( 0.000 5.641 -3.311) 6.541 10.995 ( 0.000 -4.980 -7.931) 9.365 11.088 ( 0.000 -0.168 -3.054) 3.059 11.178 ( 0.000 -7.034 1.678) 7.231 11.638 ( 0.000 9.840 0.293) 9.844 11.814 ( 0.000 3.112 -11.414) 11.831 12.049 ( 0.000 -0.115 -8.465) 8.465 12.159 ( 0.000 -5.229 -7.778) 9.372 12.472 ( 0.000 1.885 -5.821) 6.118 12.488 ( 0.000 5.450 -9.418) 10.881 12.694 ( 0.000 3.098 -0.544) 3.146 12.748 ( 0.000 -3.622 0.375) 3.642 12.935 ( 0.000 -2.819 3.796) 4.728 13.088 ( 0.000 -7.452 -6.719) 10.034 13.977 ( 0.000 3.823 4.115) 5.617 14.043 ( 0.000 2.345 -0.330) 2.368 14.138 ( 0.000 -2.695 0.281) 2.709 14.152 ( 0.000 -2.542 -1.632) 3.021 14.334 ( 0.000 2.892 6.867) 7.451 14.347 ( 0.000 3.429 5.673) 6.628 14.395 ( 0.000 2.045 4.123) 4.602 14.496 ( 0.000 -3.088 4.733) 5.651 14.961 ( 0.000 2.996 -1.678) 3.434 14.969 ( 0.000 2.234 0.546) 2.300 15.318 ( 0.000 -0.755 -2.913) 3.009 15.351 ( 0.000 -2.995 -0.035) 2.995 15.689 ( 0.000 1.990 2.203) 2.969 15.715 ( 0.000 -0.104 5.542) 5.543 15.829 ( 0.000 6.792 6.449) 9.366 15.960 ( 0.000 -0.080 1.232) 1.235 16.048 ( 0.000 -6.388 -1.288) 6.516 16.259 ( 0.000 -8.410 4.286) 9.439 16.385 ( 0.000 3.811 -4.407) 5.826 16.517 ( 0.000 4.488 -8.749) 9.833 16.694 ( 0.000 2.503 -0.451) 2.544 16.838 ( 0.000 10.182 0.613) 10.200 16.884 ( 0.000 3.172 -1.949) 3.723 16.923 ( 0.000 2.537 -3.066) 3.979 17.051 ( 0.000 9.505 0.907) 9.548 17.176 ( 0.000 -4.322 -8.824) 9.825 17.232 ( 0.000 -0.755 -9.815) 9.844 17.541 ( 0.000 -10.326 2.236) 10.565 17.618 ( 0.000 -1.612 -2.131) 2.672 17.689 ( 0.000 -3.251 -1.763) 3.699 18.880 ( 0.000 0.763 -32.518) 32.527 18.882 ( 0.000 0.012 -24.772) 24.772 19.614 ( 0.000 1.915 -1.131) 2.224 19.618 ( 0.000 0.497 1.872) 1.937 19.946 ( 0.000 3.848 18.843) 19.232 20.059 ( 0.000 -0.562 16.313) 16.323 20.655 ( 0.000 10.560 14.695) 18.096 21.123 ( 0.000 -9.314 6.683) 11.464 21.277 ( 0.000 -1.935 5.829) 6.142 21.428 ( 0.000 -13.483 20.913) 24.882 ======================= Grid point 64 (26/80) ======================= q-point: ( 0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 14.559 25.372 14.442) 32.623 2.029 ( 20.552 26.549 17.006) 37.636 2.683 ( 3.494 -12.372 17.035) 21.342 2.821 ( 1.750 -2.559 11.526) 11.935 2.862 ( 1.983 -2.942 6.881) 7.742 2.972 ( 18.707 32.928 19.983) 42.819 3.079 ( 11.218 -13.451 7.943) 19.232 3.451 ( -3.457 8.954 6.224) 11.440 3.482 ( -2.603 5.370 6.467) 8.799 3.617 ( -5.617 6.019 -2.200) 8.522 3.694 ( -2.827 -2.911 -4.765) 6.258 3.910 ( 0.534 4.739 7.123) 8.572 3.928 ( -10.154 11.640 16.397) 22.527 4.070 ( -0.932 -0.965 1.359) 1.910 4.161 ( -7.512 -0.786 2.126) 7.846 4.288 ( -6.208 -1.402 -7.354) 9.726 4.366 ( -0.245 6.604 -3.397) 7.431 4.537 ( 4.301 -13.795 -2.534) 14.670 4.583 ( -4.755 -1.722 -6.177) 7.983 4.684 ( -5.342 -1.515 -2.367) 6.036 4.776 ( -0.545 -0.464 -2.564) 2.662 4.915 ( -3.355 -5.391 2.786) 6.934 4.946 ( -2.838 3.613 3.191) 5.594 4.984 ( 2.189 1.403 1.768) 3.144 5.056 ( -1.397 -1.751 2.284) 3.199 5.164 ( 2.360 -0.805 4.587) 5.221 5.179 ( -1.112 -2.144 1.717) 2.963 5.337 ( 2.632 -5.932 6.749) 9.363 5.425 ( 7.937 4.785 1.374) 9.369 5.641 ( -0.433 -3.924 2.308) 4.573 5.836 ( 2.400 3.454 -8.900) 9.844 5.876 ( 2.245 -0.049 -2.623) 3.453 6.129 ( 0.053 0.626 4.050) 4.098 6.262 ( 1.435 -3.945 -0.597) 4.240 6.355 ( -2.279 1.038 -0.672) 2.593 6.394 ( -2.783 2.707 1.553) 4.182 6.428 ( -1.819 -0.865 2.535) 3.238 6.502 ( -0.447 5.264 -5.999) 7.993 6.753 ( 1.186 -0.231 6.004) 6.125 6.956 ( -3.909 5.700 4.099) 8.035 7.084 ( -0.784 -6.203 0.838) 6.308 7.148 ( -0.565 3.723 6.698) 7.684 7.255 ( 1.242 -4.966 -0.541) 5.148 7.395 ( -0.828 -9.056 6.590) 11.231 7.692 ( -3.950 6.916 -0.374) 7.974 7.817 ( -3.715 1.850 -4.099) 5.833 7.911 ( -0.141 1.959 -6.233) 6.535 8.079 ( -1.322 -0.044 -6.013) 6.157 8.239 ( -1.918 5.682 6.319) 8.712 8.314 ( -3.271 -3.889 -7.561) 9.110 8.399 ( -9.200 3.050 4.030) 10.497 8.574 ( -5.249 -11.109 -2.303) 12.500 8.673 ( -5.584 0.077 6.061) 8.241 8.992 ( -6.947 -4.739 8.944) 12.277 9.261 ( 2.529 0.262 -1.717) 3.068 9.423 ( 12.792 6.471 -0.953) 14.367 9.471 ( 3.598 -1.987 -1.081) 4.250 9.625 ( 3.374 -0.018 -2.423) 4.154 9.758 ( -3.481 -3.522 0.178) 4.955 9.969 ( 7.062 -12.848 -1.148) 14.706 10.160 ( 5.459 0.182 -0.432) 5.479 10.220 ( 6.369 -2.009 3.935) 7.752 10.389 ( -4.934 2.980 -4.692) 7.433 10.429 ( 0.688 0.102 -2.518) 2.612 10.559 ( -1.518 1.927 -2.622) 3.590 10.612 ( 0.718 -4.556 1.915) 4.993 10.735 ( 3.893 3.882 -3.486) 6.510 10.994 ( -0.077 -5.005 -7.617) 9.115 11.057 ( -1.990 -0.318 -2.569) 3.266 11.175 ( -0.503 -5.776 1.532) 5.997 11.573 ( -5.828 8.026 0.056) 9.919 11.779 ( -5.902 -0.494 -7.068) 9.221 12.115 ( 6.216 0.104 -10.946) 12.588 12.200 ( 3.419 -3.663 -8.748) 10.081 12.468 ( 0.561 4.478 -8.205) 9.364 12.516 ( 2.194 3.764 -7.835) 8.964 12.699 ( 0.738 0.161 -1.985) 2.124 12.772 ( 1.159 -2.890 -0.533) 3.159 12.972 ( 3.658 -0.536 3.151) 4.858 13.121 ( 2.732 -5.414 -6.316) 8.756 13.931 ( -3.143 2.742 4.734) 6.309 14.076 ( -1.114 0.691 -3.849) 4.066 14.092 ( -0.376 -1.765 2.113) 2.779 14.163 ( 1.471 -1.564 -1.700) 2.738 14.325 ( -0.985 3.282 1.565) 3.767 14.389 ( 2.281 1.666 5.910) 6.550 14.420 ( 1.942 1.882 5.322) 5.970 14.494 ( 0.359 -1.021 7.396) 7.475 14.935 ( -1.915 2.154 0.360) 2.904 14.963 ( -0.885 1.936 -1.394) 2.545 15.302 ( -1.377 0.605 -1.653) 2.235 15.356 ( 0.890 -2.356 0.398) 2.549 15.637 ( -4.593 4.484 0.298) 6.426 15.717 ( -0.714 -0.641 4.192) 4.300 15.791 ( -3.009 3.934 6.892) 8.488 15.947 ( -2.509 0.372 3.202) 4.085 16.006 ( -10.609 0.022 6.290) 12.333 16.067 ( 1.470 -5.466 -2.243) 6.089 16.394 ( 0.584 4.542 -5.101) 6.855 16.586 ( -6.070 2.635 -1.204) 6.726 16.613 ( -1.337 -0.073 -2.193) 2.569 16.767 ( -6.724 -0.771 -0.824) 6.818 16.868 ( 4.619 9.100 -3.198) 10.694 17.011 ( 4.993 6.333 -4.343) 9.160 17.131 ( 5.938 6.061 -0.206) 8.488 17.300 ( 9.620 -5.012 -8.221) 13.610 17.378 ( 6.496 -8.119 -5.755) 11.885 17.469 ( -1.399 -7.884 -2.622) 8.426 17.762 ( 7.299 -0.470 0.145) 7.315 17.865 ( 18.274 -4.974 -6.425) 19.999 18.819 ( -5.730 0.736 -23.771) 24.463 18.863 ( -2.027 -0.861 -30.369) 30.449 19.617 ( 0.311 1.287 0.722) 1.508 19.624 ( 0.572 1.002 0.815) 1.412 19.918 ( -2.312 3.614 17.963) 18.468 20.035 ( -2.286 -0.931 16.693) 16.874 20.663 ( 0.795 9.953 14.311) 17.450 21.058 ( -6.434 -7.228 9.903) 13.846 21.254 ( -1.858 -2.783 6.365) 7.191 21.334 ( -6.356 -8.190 17.378) 20.235 ======================= Grid point 65 (27/80) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 23.827 15.226 7.532) 29.262 2.509 ( 23.783 23.350 11.240) 35.173 2.788 ( 5.970 -6.078 13.850) 16.261 2.867 ( 1.858 -1.096 6.939) 7.266 2.907 ( 1.270 -2.746 2.698) 4.053 3.290 ( -3.888 10.878 6.230) 13.124 3.315 ( 9.007 -8.768 8.177) 14.995 3.402 ( -3.793 0.463 2.602) 4.623 3.455 ( -5.519 4.305 5.866) 9.133 3.498 ( 5.787 14.988 12.687) 20.471 3.598 ( -10.899 -0.151 0.718) 10.924 3.641 ( 1.214 17.558 14.150) 22.583 3.931 ( -5.319 1.297 8.799) 10.363 3.978 ( -1.584 1.265 -0.497) 2.087 4.073 ( -0.650 2.144 0.392) 2.274 4.175 ( -4.373 2.177 -2.336) 5.415 4.344 ( -0.962 7.609 -0.414) 7.680 4.455 ( -4.607 2.830 -3.727) 6.567 4.582 ( -1.360 -7.829 -3.325) 8.613 4.610 ( -2.001 -7.295 -5.926) 9.609 4.803 ( 2.562 0.589 -2.273) 3.475 4.876 ( -0.649 -9.291 -1.023) 9.370 4.924 ( -0.551 0.645 2.315) 2.465 4.991 ( -1.573 1.823 2.577) 3.527 5.040 ( 1.766 0.365 4.658) 4.995 5.165 ( -0.572 -4.041 4.313) 5.938 5.231 ( 3.923 -2.993 5.647) 7.499 5.387 ( 0.989 -6.979 4.826) 8.543 5.566 ( 5.160 2.837 2.429) 6.370 5.640 ( 0.420 -0.200 3.246) 3.280 5.863 ( -1.319 3.446 -2.116) 4.253 5.880 ( -2.826 2.152 -0.637) 3.609 6.136 ( 1.051 0.749 1.158) 1.734 6.234 ( -3.247 -2.569 -2.130) 4.656 6.253 ( -3.809 1.439 -2.690) 4.879 6.313 ( -3.603 -0.190 -2.097) 4.173 6.483 ( 4.440 4.382 1.671) 6.458 6.556 ( 3.967 3.743 -6.388) 8.399 6.818 ( 4.459 2.669 8.364) 9.847 6.888 ( 0.299 4.723 8.603) 9.819 7.064 ( -0.654 -5.666 0.466) 5.722 7.135 ( -1.709 1.934 5.734) 6.288 7.238 ( -2.707 -5.912 1.252) 6.621 7.296 ( -9.097 -5.010 6.357) 12.177 7.602 ( -3.713 7.511 0.770) 8.414 7.679 ( -5.702 5.154 -0.943) 7.743 7.969 ( 3.811 -0.964 -7.724) 8.667 8.082 ( 2.023 0.736 -5.744) 6.134 8.223 ( -4.951 -4.671 -1.335) 6.936 8.236 ( -4.021 3.090 0.779) 5.131 8.262 ( 1.112 -3.196 2.045) 3.954 8.451 ( -6.105 -6.251 1.610) 8.885 8.558 ( -2.523 -5.708 3.304) 7.061 8.804 ( -9.804 -8.907 8.819) 15.913 9.319 ( 3.134 1.568 -1.703) 3.896 9.474 ( -1.881 -2.384 -0.873) 3.160 9.681 ( 1.561 -0.930 0.767) 1.972 9.697 ( 2.272 -0.976 -2.981) 3.873 9.797 ( 13.503 2.118 -0.263) 13.671 10.100 ( 3.801 -8.325 -3.949) 9.967 10.197 ( -0.897 2.831 -3.382) 4.500 10.277 ( -1.534 0.358 -3.258) 3.619 10.397 ( 5.143 3.147 1.516) 6.217 10.471 ( 3.343 0.435 0.190) 3.376 10.530 ( -1.069 1.731 -1.478) 2.515 10.617 ( -0.893 -3.698 2.681) 4.655 10.866 ( 8.599 -0.199 -4.452) 9.685 10.984 ( -0.326 -3.729 -8.695) 9.466 11.036 ( -0.224 -0.099 -2.239) 2.252 11.149 ( -2.221 -3.995 0.565) 4.605 11.428 ( -6.507 3.670 0.073) 7.470 11.580 ( -11.397 -2.043 -3.556) 12.112 12.222 ( 3.197 1.051 -7.148) 7.901 12.268 ( 1.749 -1.886 -8.795) 9.163 12.515 ( 3.907 3.487 -10.680) 11.895 12.578 ( 3.082 1.906 -10.106) 10.736 12.716 ( 0.565 -0.910 -2.842) 3.037 12.773 ( -1.027 -3.433 -1.665) 3.951 13.076 ( 5.410 2.904 0.135) 6.142 13.174 ( 1.563 -0.930 -5.740) 6.021 13.878 ( -1.206 -0.426 3.571) 3.793 13.981 ( -4.971 -4.414 -0.136) 6.649 14.146 ( 3.198 2.664 -3.592) 5.497 14.222 ( 3.321 -0.183 -1.396) 3.607 14.294 ( -1.793 2.693 0.605) 3.291 14.379 ( -2.259 -0.709 0.641) 2.453 14.477 ( 2.553 2.842 8.845) 9.634 14.518 ( 1.160 1.600 9.196) 9.406 14.895 ( -1.368 2.105 0.450) 2.551 14.937 ( -1.576 0.720 -1.319) 2.178 15.283 ( 0.449 3.535 0.619) 3.617 15.396 ( 2.547 -2.001 1.034) 3.400 15.507 ( -6.772 5.507 -0.924) 8.778 15.626 ( -6.528 0.333 1.093) 6.627 15.759 ( 0.191 -0.173 9.619) 9.623 15.821 ( -3.363 -1.902 12.246) 12.841 16.025 ( 5.079 1.221 -1.149) 5.349 16.109 ( 2.587 -2.349 -2.717) 4.426 16.347 ( -5.054 3.108 -5.162) 7.865 16.435 ( -9.598 -0.367 -5.138) 10.893 16.548 ( 0.102 5.823 3.705) 6.902 16.652 ( -4.007 2.776 4.519) 6.647 17.041 ( 8.867 2.859 -3.475) 9.943 17.117 ( 4.713 2.462 -6.855) 8.676 17.242 ( 3.008 -0.788 -2.270) 3.850 17.367 ( -2.939 -6.282 -6.109) 9.243 17.426 ( 4.648 -2.800 -4.922) 7.326 17.563 ( 3.045 -5.896 -3.320) 7.420 17.992 ( 14.513 3.701 -4.189) 15.553 18.269 ( 17.226 -9.919 -12.024) 23.231 18.641 ( -10.584 1.932 -18.825) 21.683 18.787 ( -5.550 -4.513 -26.324) 27.278 19.628 ( 0.707 1.033 2.298) 2.616 19.639 ( 0.667 1.039 1.787) 2.172 19.871 ( -1.481 2.473 15.704) 15.967 19.963 ( -4.264 -1.142 16.644) 17.219 20.691 ( 1.940 8.389 13.695) 16.177 20.886 ( -8.170 0.407 13.996) 16.211 21.215 ( -1.523 -4.097 7.352) 8.553 21.237 ( -2.890 -5.679 10.942) 12.662 ======================= Grid point 66 (28/80) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -17.468 4.835 4.625) 18.706 2.721 ( 17.468 4.835 4.625) 18.706 2.867 ( -4.767 -0.087 6.117) 7.756 2.867 ( 4.767 -0.087 6.117) 7.756 3.055 ( -19.609 19.569 7.500) 28.700 3.055 ( 19.609 19.569 7.500) 28.700 3.253 ( -2.619 5.720 6.927) 9.357 3.253 ( 2.619 5.720 6.927) 9.357 3.455 ( -3.569 -1.124 4.120) 5.566 3.455 ( 3.569 -1.124 4.120) 5.566 3.647 ( -13.485 -8.783 9.760) 18.821 3.647 ( 13.485 -8.783 9.760) 18.821 3.991 ( -8.038 8.885 4.418) 12.769 3.991 ( 8.038 8.885 4.418) 12.769 4.070 ( -4.381 6.116 0.728) 7.559 4.070 ( 4.381 6.116 0.728) 7.559 4.370 ( -3.669 4.733 1.612) 6.202 4.370 ( 3.669 4.733 1.612) 6.202 4.573 ( -0.999 -8.673 -7.726) 11.658 4.573 ( 0.999 -8.673 -7.726) 11.658 4.876 ( -0.999 -2.421 -4.471) 5.182 4.876 ( 0.999 -2.421 -4.471) 5.182 4.911 ( -3.813 1.374 4.782) 6.269 4.911 ( 3.813 1.374 4.782) 6.269 5.119 ( -4.440 -1.060 5.101) 6.846 5.119 ( 4.440 -1.060 5.101) 6.846 5.337 ( -5.286 -6.148 5.488) 9.791 5.337 ( 5.286 -6.148 5.488) 9.791 5.639 ( -1.423 1.979 3.740) 4.464 5.639 ( 1.423 1.979 3.740) 4.464 5.821 ( -0.755 3.863 0.827) 4.022 5.821 ( 0.755 3.863 0.827) 4.022 6.174 ( -2.345 -0.055 -0.897) 2.512 6.174 ( 2.345 -0.055 -0.897) 2.512 6.249 ( -2.188 -0.803 -3.161) 3.927 6.249 ( 2.188 -0.803 -3.161) 3.927 6.568 ( -3.058 5.057 -3.409) 6.823 6.568 ( 3.058 5.057 -3.409) 6.823 6.922 ( -1.950 2.339 7.622) 8.208 6.922 ( 1.950 2.339 7.622) 8.208 7.080 ( -4.151 0.209 5.167) 6.631 7.080 ( 4.151 0.209 5.167) 6.631 7.159 ( -2.848 -6.796 2.360) 7.737 7.159 ( 2.848 -6.796 2.360) 7.737 7.589 ( -2.619 7.273 1.851) 7.949 7.589 ( 2.619 7.273 1.851) 7.949 8.069 ( -5.156 0.162 -6.665) 8.428 8.069 ( 5.156 0.162 -6.665) 8.428 8.169 ( -2.528 -5.153 -2.013) 6.082 8.169 ( 2.528 -5.153 -2.013) 6.082 8.331 ( -4.639 -2.130 2.167) 5.546 8.331 ( 4.639 -2.130 2.167) 5.546 8.616 ( -7.075 -9.463 6.656) 13.561 8.616 ( 7.075 -9.463 6.656) 13.561 9.399 ( -4.289 0.835 -0.653) 4.418 9.399 ( 4.289 0.835 -0.653) 4.418 9.702 ( -0.756 -3.668 -0.246) 3.754 9.702 ( 0.756 -3.668 -0.246) 3.754 10.054 ( -8.165 0.253 -3.867) 9.038 10.054 ( 8.165 0.253 -3.867) 9.038 10.226 ( -2.946 0.791 -4.868) 5.745 10.226 ( 2.946 0.791 -4.868) 5.745 10.480 ( -2.751 2.315 0.853) 3.696 10.480 ( 2.751 2.315 0.853) 3.696 10.564 ( -3.657 0.456 2.573) 4.495 10.564 ( 3.657 0.456 2.573) 4.495 11.010 ( -2.196 -1.614 -6.052) 6.638 11.010 ( 2.196 -1.614 -6.052) 6.638 11.058 ( -7.244 -3.111 -3.491) 8.622 11.058 ( 7.244 -3.111 -3.491) 8.622 11.386 ( -4.360 -0.458 0.075) 4.385 11.386 ( 4.360 -0.458 0.075) 4.385 12.267 ( -1.297 0.414 -6.446) 6.588 12.267 ( 1.297 0.414 -6.446) 6.588 12.594 ( -2.316 1.189 -12.595) 12.861 12.594 ( 2.316 1.189 -12.595) 12.861 12.737 ( -1.892 -1.597 -1.273) 2.785 12.737 ( 1.892 -1.597 -1.273) 2.785 13.166 ( -2.521 2.550 -3.820) 5.240 13.166 ( 2.521 2.550 -3.820) 5.240 13.895 ( -2.722 -3.609 1.358) 4.720 13.895 ( 2.722 -3.609 1.358) 4.720 14.216 ( -3.172 3.234 -3.334) 5.624 14.216 ( 3.172 3.234 -3.334) 5.624 14.319 ( -3.301 -0.691 1.214) 3.584 14.319 ( 3.301 -0.691 1.214) 3.584 14.517 ( -1.238 2.093 8.878) 9.205 14.517 ( 1.238 2.093 8.878) 9.205 14.898 ( -1.599 1.673 -0.432) 2.355 14.898 ( 1.599 1.673 -0.432) 2.355 15.344 ( -5.160 4.557 1.369) 7.019 15.344 ( 5.160 4.557 1.369) 7.019 15.505 ( -4.851 -1.395 0.578) 5.080 15.505 ( 4.851 -1.395 0.578) 5.080 15.776 ( -1.367 -1.472 10.616) 10.805 15.776 ( 1.367 -1.472 10.616) 10.805 16.142 ( -2.708 1.091 -1.436) 3.253 16.142 ( 2.708 1.091 -1.436) 3.253 16.272 ( -1.975 0.170 -5.584) 5.926 16.272 ( 1.975 0.170 -5.584) 5.926 16.584 ( -2.581 5.421 4.968) 7.793 16.584 ( 2.581 5.421 4.968) 7.793 17.169 ( -1.804 0.117 -4.508) 4.857 17.169 ( 1.804 0.117 -4.508) 4.857 17.286 ( -3.595 -4.520 -6.187) 8.463 17.286 ( 3.595 -4.520 -6.187) 8.463 17.538 ( -4.452 -1.586 -2.863) 5.525 17.538 ( 4.452 -1.586 -2.863) 5.525 18.315 ( -14.219 2.213 -10.417) 17.765 18.315 ( 14.219 2.213 -10.417) 17.765 18.619 ( -10.098 -7.673 -20.083) 23.752 18.619 ( 10.098 -7.673 -20.083) 23.752 19.642 ( -0.436 1.042 3.071) 3.272 19.642 ( 0.436 1.042 3.071) 3.272 19.882 ( -2.675 0.295 15.067) 15.306 19.882 ( 2.675 0.295 15.067) 15.306 20.754 ( -4.356 5.746 13.733) 15.511 20.754 ( 4.356 5.746 13.733) 15.511 21.202 ( -0.472 -5.096 8.576) 9.987 21.202 ( 0.472 -5.096 8.576) 9.987 ======================= Grid point 70 (29/80) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.000 -10.808 16.268) 19.531 2.209 ( 0.000 10.808 16.268) 19.531 2.407 ( 0.000 -17.445 15.818) 23.548 2.407 ( 0.000 17.445 15.818) 23.548 2.801 ( 0.000 -0.819 10.477) 10.509 2.801 ( 0.000 0.819 10.477) 10.509 3.535 ( 0.000 -12.351 0.046) 12.351 3.535 ( 0.000 12.351 0.046) 12.351 3.674 ( 0.000 -0.680 3.545) 3.610 3.674 ( 0.000 0.680 3.545) 3.610 3.787 ( 0.000 -29.561 8.998) 30.900 3.787 ( 0.000 29.561 8.998) 30.900 3.983 ( 0.000 -4.389 5.484) 7.024 3.983 ( 0.000 4.389 5.484) 7.024 4.307 ( 0.000 -4.746 0.115) 4.748 4.307 ( 0.000 4.746 0.115) 4.748 4.417 ( 0.000 -5.287 -0.284) 5.294 4.417 ( 0.000 5.287 -0.284) 5.294 4.645 ( 0.000 -4.767 -6.670) 8.198 4.645 ( 0.000 4.767 -6.670) 8.198 4.849 ( 0.000 -2.244 -2.818) 3.602 4.849 ( 0.000 2.244 -2.818) 3.602 4.980 ( 0.000 -2.776 -0.923) 2.925 4.980 ( 0.000 2.776 -0.923) 2.925 5.069 ( 0.000 -2.510 5.858) 6.373 5.069 ( 0.000 2.510 5.858) 6.373 5.244 ( 0.000 -4.303 9.634) 10.551 5.244 ( 0.000 4.303 9.634) 10.551 5.516 ( 0.000 -9.354 0.379) 9.362 5.516 ( 0.000 9.354 0.379) 9.362 5.838 ( 0.000 -0.295 -7.205) 7.211 5.838 ( 0.000 0.295 -7.205) 7.211 6.165 ( 0.000 -3.156 3.823) 4.957 6.165 ( 0.000 3.156 3.823) 4.957 6.417 ( 0.000 -1.309 0.042) 1.310 6.417 ( 0.000 1.309 0.042) 1.310 6.487 ( 0.000 -4.483 0.695) 4.537 6.487 ( 0.000 4.483 0.695) 4.537 6.896 ( 0.000 -11.960 0.684) 11.980 6.896 ( 0.000 11.960 0.684) 11.980 7.090 ( 0.000 -5.515 -1.845) 5.815 7.090 ( 0.000 5.515 -1.845) 5.815 7.258 ( 0.000 -5.407 6.896) 8.763 7.258 ( 0.000 5.407 6.896) 8.763 7.862 ( 0.000 -3.201 -3.208) 4.532 7.862 ( 0.000 3.201 -3.208) 4.532 8.000 ( 0.000 -3.820 -5.592) 6.772 8.000 ( 0.000 3.820 -5.592) 6.772 8.394 ( 0.000 -1.313 0.945) 1.617 8.394 ( 0.000 1.313 0.945) 1.617 8.448 ( 0.000 -1.039 -0.668) 1.235 8.448 ( 0.000 1.039 -0.668) 1.235 8.924 ( 0.000 -9.260 10.040) 13.658 8.924 ( 0.000 9.260 10.040) 13.658 9.335 ( 0.000 -5.270 -2.567) 5.862 9.335 ( 0.000 5.270 -2.567) 5.862 9.462 ( 0.000 -9.825 -2.175) 10.063 9.462 ( 0.000 9.825 -2.175) 10.063 9.736 ( 0.000 -2.419 1.310) 2.751 9.736 ( 0.000 2.419 1.310) 2.751 10.098 ( 0.000 -2.508 3.048) 3.947 10.098 ( 0.000 2.508 3.048) 3.947 10.439 ( 0.000 -1.322 -4.260) 4.460 10.439 ( 0.000 1.322 -4.260) 4.460 10.583 ( 0.000 -0.624 0.603) 0.868 10.583 ( 0.000 0.624 0.603) 0.868 10.847 ( 0.000 -8.410 -6.446) 10.596 10.847 ( 0.000 8.410 -6.446) 10.596 11.099 ( 0.000 -1.547 -0.248) 1.567 11.099 ( 0.000 1.547 -0.248) 1.567 11.799 ( 0.000 -5.085 -5.132) 7.225 11.799 ( 0.000 5.085 -5.132) 7.225 12.073 ( 0.000 -2.945 -9.109) 9.573 12.073 ( 0.000 2.945 -9.109) 9.573 12.512 ( 0.000 -1.720 -9.124) 9.285 12.512 ( 0.000 1.720 -9.124) 9.285 12.730 ( 0.000 -0.119 -0.324) 0.345 12.730 ( 0.000 0.119 -0.324) 0.345 12.952 ( 0.000 -4.602 -0.414) 4.620 12.952 ( 0.000 4.602 -0.414) 4.620 14.052 ( 0.000 -2.987 3.266) 4.426 14.052 ( 0.000 2.987 3.266) 4.426 14.109 ( 0.000 -1.464 -2.786) 3.147 14.109 ( 0.000 1.464 -2.786) 3.147 14.382 ( 0.000 -0.573 8.008) 8.028 14.382 ( 0.000 0.573 8.008) 8.028 14.433 ( 0.000 -2.484 3.175) 4.031 14.433 ( 0.000 2.484 3.175) 4.031 14.996 ( 0.000 -0.053 -1.104) 1.105 14.996 ( 0.000 0.053 -1.104) 1.105 15.311 ( 0.000 -0.681 0.116) 0.690 15.311 ( 0.000 0.681 0.116) 0.690 15.707 ( 0.000 -0.436 4.882) 4.902 15.707 ( 0.000 0.436 4.882) 4.902 15.944 ( 0.000 -4.091 1.519) 4.364 15.944 ( 0.000 4.091 1.519) 4.364 16.063 ( 0.000 -9.642 3.402) 10.225 16.063 ( 0.000 9.642 3.402) 10.225 16.479 ( 0.000 -4.729 -7.038) 8.479 16.479 ( 0.000 4.729 -7.038) 8.479 16.819 ( 0.000 -6.172 -1.905) 6.459 16.819 ( 0.000 6.172 -1.905) 6.459 17.013 ( 0.000 -0.608 -1.875) 1.971 17.013 ( 0.000 0.608 -1.875) 1.971 17.112 ( 0.000 -3.518 -6.249) 7.171 17.112 ( 0.000 3.518 -6.249) 7.171 17.305 ( 0.000 -12.370 2.313) 12.585 17.305 ( 0.000 12.370 2.313) 12.585 17.630 ( 0.000 -2.190 -3.519) 4.145 17.630 ( 0.000 2.190 -3.519) 4.145 18.883 ( 0.000 -0.108 -28.520) 28.520 18.883 ( 0.000 0.108 -28.520) 28.520 19.627 ( 0.000 -0.235 1.222) 1.244 19.627 ( 0.000 0.235 1.222) 1.244 20.020 ( 0.000 -3.089 20.283) 20.517 20.020 ( 0.000 3.089 20.283) 20.517 20.895 ( 0.000 -12.318 9.363) 15.473 20.895 ( 0.000 12.318 9.363) 15.473 21.280 ( 0.000 -2.731 8.869) 9.280 21.280 ( 0.000 2.731 8.869) 9.280 ======================= Grid point 72 (30/80) ======================= q-point: ( 0.17 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 8.577 -18.223 13.337) 24.156 2.297 ( 8.577 18.223 13.337) 24.156 2.580 ( 14.704 -20.585 15.221) 29.523 2.580 ( 14.704 20.585 15.221) 29.523 2.828 ( 2.446 -1.116 8.626) 9.035 2.828 ( 2.446 1.116 8.626) 9.035 3.533 ( -1.310 -5.611 2.868) 6.436 3.533 ( -1.310 5.611 2.868) 6.436 3.615 ( -5.146 -2.820 0.686) 5.908 3.615 ( -5.146 2.820 0.686) 5.908 3.874 ( 7.323 -29.193 8.881) 31.380 3.874 ( 7.323 29.193 8.881) 31.380 4.014 ( 2.301 -6.075 3.976) 7.616 4.014 ( 2.301 6.075 3.976) 7.616 4.175 ( -8.963 -7.114 6.241) 13.034 4.175 ( -8.963 7.114 6.241) 13.034 4.415 ( -2.280 -10.070 -5.243) 11.580 4.415 ( -2.280 10.070 -5.243) 11.580 4.572 ( -5.217 -1.755 -6.268) 8.342 4.572 ( -5.217 1.755 -6.268) 8.342 4.800 ( -2.493 -2.278 -1.162) 3.571 4.800 ( -2.493 2.278 -1.162) 3.571 5.005 ( -0.558 -1.585 6.420) 6.636 5.005 ( -0.558 1.585 6.420) 6.636 5.076 ( 1.567 -3.961 -1.161) 4.415 5.076 ( 1.567 3.961 -1.161) 4.415 5.249 ( 0.026 -3.884 8.370) 9.227 5.249 ( 0.026 3.884 8.370) 9.227 5.541 ( 2.954 -5.816 0.748) 6.566 5.541 ( 2.954 5.816 0.748) 6.566 5.872 ( 2.487 -0.488 -4.637) 5.284 5.872 ( 2.487 0.488 -4.637) 5.284 6.174 ( 0.560 -3.771 2.832) 4.749 6.174 ( 0.560 3.771 2.832) 4.749 6.385 ( -3.409 -1.795 -3.177) 4.994 6.385 ( -3.409 1.795 -3.177) 4.994 6.490 ( 1.329 -4.988 1.758) 5.454 6.490 ( 1.329 4.988 1.758) 5.454 6.876 ( -0.304 -10.217 2.835) 10.607 6.876 ( -0.304 10.217 2.835) 10.607 7.124 ( 0.338 -7.379 -0.617) 7.412 7.124 ( 0.338 7.379 -0.617) 7.412 7.246 ( -0.834 -5.919 6.367) 8.733 7.246 ( -0.834 5.919 6.367) 8.733 7.818 ( -3.490 -3.304 -3.362) 5.865 7.818 ( -3.490 3.304 -3.362) 5.865 7.977 ( -1.790 -6.094 -5.471) 8.383 7.977 ( -1.790 6.094 -5.471) 8.383 8.346 ( -3.286 -3.715 -0.177) 4.963 8.346 ( -3.286 3.715 -0.177) 4.963 8.380 ( -5.931 -2.964 0.568) 6.655 8.380 ( -5.931 2.964 0.568) 6.655 8.803 ( -9.046 -10.417 9.845) 16.949 8.803 ( -9.046 10.417 9.845) 16.949 9.358 ( 1.989 -5.857 -2.606) 6.712 9.358 ( 1.989 5.857 -2.606) 6.712 9.619 ( 9.996 -4.429 -2.382) 11.190 9.619 ( 9.996 4.429 -2.382) 11.190 9.728 ( 1.585 -5.753 1.961) 6.281 9.728 ( 1.585 5.753 1.961) 6.281 10.181 ( 5.849 -1.698 1.808) 6.354 10.181 ( 5.849 1.698 1.808) 6.354 10.429 ( -0.510 -0.733 -4.685) 4.769 10.429 ( -0.510 0.733 -4.685) 4.769 10.563 ( -1.101 -0.214 1.320) 1.732 10.563 ( -1.101 0.214 1.320) 1.732 10.855 ( 0.956 -7.397 -6.593) 9.955 10.855 ( 0.956 7.397 -6.593) 9.955 11.091 ( -0.565 -2.858 -0.088) 2.914 11.091 ( -0.565 2.858 -0.088) 2.914 11.717 ( -7.601 -5.503 -3.969) 10.189 11.717 ( -7.601 5.503 -3.969) 10.189 12.137 ( 5.216 -2.243 -9.409) 10.989 12.137 ( 5.216 2.243 -9.409) 10.989 12.538 ( 2.146 -2.121 -10.172) 10.610 12.538 ( 2.146 2.121 -10.172) 10.610 12.718 ( -0.784 -2.698 -0.586) 2.870 12.718 ( -0.784 2.698 -0.586) 2.870 13.017 ( 5.414 -4.301 -1.016) 6.989 13.017 ( 5.414 4.301 -1.016) 6.989 14.003 ( -4.409 -4.107 3.143) 6.795 14.003 ( -4.409 4.107 3.143) 6.795 14.128 ( 2.275 -1.943 -2.850) 4.132 14.128 ( 2.275 1.943 -2.850) 4.132 14.382 ( -0.733 -2.010 2.312) 3.150 14.382 ( -0.733 2.010 2.312) 3.150 14.464 ( 2.902 -1.959 8.408) 9.108 14.464 ( 2.902 1.959 8.408) 9.108 14.973 ( -1.991 -1.015 -0.723) 2.349 14.973 ( -1.991 1.015 -0.723) 2.349 15.318 ( 0.693 -1.214 0.120) 1.403 15.318 ( 0.693 1.214 0.120) 1.403 15.693 ( -1.800 -1.584 3.422) 4.178 15.693 ( -1.800 1.584 3.422) 4.178 15.896 ( -6.994 -5.729 5.993) 10.847 15.896 ( -6.994 5.729 5.993) 10.847 16.002 ( 0.068 -2.843 -0.169) 2.849 16.002 ( 0.068 2.843 -0.169) 2.849 16.502 ( 0.061 -5.690 -5.287) 7.768 16.502 ( 0.061 5.690 -5.287) 7.768 16.708 ( -6.376 -4.604 -0.659) 7.892 16.708 ( -6.376 4.604 -0.659) 7.892 17.062 ( 2.781 -6.521 -2.987) 7.692 17.062 ( 2.781 6.521 -2.987) 7.692 17.230 ( 5.230 -4.549 -5.102) 8.607 17.230 ( 5.230 4.549 -5.102) 8.607 17.298 ( 3.549 -8.122 -1.576) 9.002 17.298 ( 3.549 8.122 -1.576) 9.002 17.784 ( 12.704 -2.795 -2.826) 13.312 17.784 ( 12.704 2.795 -2.826) 13.312 18.839 ( -4.290 -1.231 -26.845) 27.214 18.839 ( -4.290 1.231 -26.845) 27.214 19.631 ( 0.402 -0.353 1.567) 1.656 19.631 ( 0.402 0.353 1.567) 1.656 19.991 ( -2.632 -3.206 19.885) 20.313 19.991 ( -2.632 3.206 19.885) 20.313 20.880 ( -1.308 -10.438 8.883) 13.768 20.880 ( -1.308 10.438 8.883) 13.768 21.236 ( -3.602 -1.518 9.159) 9.958 21.236 ( -3.602 1.518 9.159) 9.958 ======================= Grid point 74 (31/80) ======================= q-point: ( 0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 13.805 -12.753 9.065) 20.866 2.546 ( 13.805 12.753 9.065) 20.866 2.863 ( 3.042 -0.498 4.649) 5.578 2.863 ( 3.042 0.498 4.649) 5.578 2.982 ( 19.257 -18.115 13.080) 29.497 2.982 ( 19.257 18.115 13.080) 29.497 3.450 ( -7.628 -4.262 7.269) 11.367 3.450 ( -7.628 4.262 7.269) 11.367 3.482 ( -4.964 -4.641 0.387) 6.807 3.482 ( -4.964 4.641 0.387) 6.807 3.826 ( -16.009 -8.769 9.216) 20.448 3.826 ( -16.009 8.769 9.216) 20.448 4.046 ( 5.067 -5.645 1.149) 7.672 4.046 ( 5.067 5.645 1.149) 7.672 4.187 ( 6.849 -23.298 3.156) 24.489 4.187 ( 6.849 23.298 3.156) 24.489 4.344 ( -3.472 -15.005 -7.408) 17.091 4.344 ( -3.472 15.005 -7.408) 17.091 4.471 ( -3.460 -3.711 -2.198) 5.529 4.471 ( -3.460 3.711 -2.198) 5.529 4.798 ( 2.697 -0.632 0.795) 2.882 4.798 ( 2.697 0.632 0.795) 2.882 4.984 ( -2.705 -3.416 5.083) 6.695 4.984 ( -2.705 3.416 5.083) 6.695 5.069 ( 0.842 -3.603 2.813) 4.648 5.069 ( 0.842 3.603 2.813) 4.648 5.270 ( 0.769 -4.741 4.886) 6.852 5.270 ( 0.769 4.741 4.886) 6.852 5.621 ( 3.755 -1.979 2.500) 4.927 5.621 ( 3.755 1.979 2.500) 4.927 5.899 ( -0.775 -0.569 -0.501) 1.084 5.899 ( -0.775 0.569 -0.501) 1.084 6.173 ( -0.502 -2.865 0.917) 3.050 6.173 ( -0.502 2.865 0.917) 3.050 6.289 ( -4.449 -1.884 -3.198) 5.794 6.289 ( -4.449 1.884 -3.198) 5.794 6.566 ( 4.928 -3.002 -1.858) 6.063 6.566 ( 4.928 3.002 -1.858) 6.063 6.904 ( 2.927 -5.944 6.516) 9.292 6.904 ( 2.927 5.944 6.516) 9.292 7.072 ( -3.380 -8.737 0.165) 9.369 7.072 ( -3.380 8.737 0.165) 9.369 7.201 ( -4.636 -4.236 6.155) 8.793 7.201 ( -4.636 4.236 6.155) 8.793 7.737 ( -3.670 -2.944 -3.863) 6.088 7.737 ( -3.670 2.944 -3.863) 6.088 7.969 ( 1.725 -4.517 -3.250) 5.826 7.969 ( 1.725 4.517 -3.250) 5.826 8.218 ( -7.087 -3.832 -3.437) 8.759 8.218 ( -7.087 3.832 -3.437) 8.759 8.327 ( 0.684 -4.917 4.763) 6.880 8.327 ( 0.684 4.917 4.763) 6.880 8.604 ( -9.065 -8.703 7.068) 14.417 8.604 ( -9.065 8.703 7.068) 14.417 9.403 ( 1.784 -4.885 -1.885) 5.532 9.403 ( 1.784 4.885 -1.885) 5.532 9.665 ( -0.884 -0.357 2.617) 2.785 9.665 ( -0.884 0.357 2.617) 2.785 9.926 ( 10.849 -8.227 -4.178) 14.243 9.926 ( 10.849 8.227 -4.178) 14.243 10.249 ( -0.044 -2.272 -2.337) 3.260 10.249 ( -0.044 2.272 -2.337) 3.260 10.464 ( 3.743 -1.995 -0.867) 4.330 10.464 ( 3.743 1.995 -0.867) 4.330 10.553 ( 0.047 -1.753 1.777) 2.497 10.553 ( 0.047 1.753 1.777) 2.497 10.901 ( 3.775 -3.540 -6.912) 8.635 10.901 ( 3.775 3.540 -6.912) 8.635 11.075 ( -1.321 -3.114 -0.928) 3.507 11.075 ( -1.321 3.114 -0.928) 3.507 11.515 ( -10.211 -4.154 -2.417) 11.286 11.515 ( -10.211 4.154 -2.417) 11.286 12.237 ( 3.424 -1.008 -7.678) 8.467 12.237 ( 3.424 1.008 -7.678) 8.467 12.584 ( 1.802 -2.203 -12.011) 12.344 12.584 ( 1.802 2.203 -12.011) 12.344 12.713 ( 0.426 -1.676 -1.310) 2.169 12.713 ( 0.426 1.676 -1.310) 2.169 13.137 ( 4.990 -2.650 -2.866) 6.335 13.137 ( 4.990 2.650 -2.866) 6.335 13.904 ( -4.174 -2.794 2.181) 5.476 13.904 ( -4.174 2.794 2.181) 5.476 14.195 ( 3.809 -2.086 -2.306) 4.917 14.195 ( 3.809 2.086 -2.306) 4.917 14.349 ( -2.366 -2.283 0.309) 3.302 14.349 ( -2.366 2.283 0.309) 3.302 14.523 ( 1.963 -1.217 9.801) 10.069 14.523 ( 1.963 1.217 9.801) 10.069 14.931 ( -1.461 -1.260 -0.578) 2.014 14.931 ( -1.461 1.260 -0.578) 2.014 15.347 ( 2.380 -2.785 0.694) 3.728 15.347 ( 2.380 2.785 0.694) 3.728 15.595 ( -7.232 -3.150 1.113) 7.966 15.595 ( -7.232 3.150 1.113) 7.966 15.779 ( -2.401 -1.915 9.999) 10.460 15.779 ( -2.401 1.915 9.999) 10.460 16.064 ( 4.781 -2.255 -1.988) 5.647 16.064 ( 4.781 2.255 -1.988) 5.647 16.407 ( -7.927 -2.439 -6.063) 10.274 16.407 ( -7.927 2.439 -6.063) 10.274 16.645 ( -0.220 -3.195 4.954) 5.899 16.645 ( -0.220 3.195 4.954) 5.899 17.132 ( 3.510 -4.661 -4.394) 7.304 17.132 ( 3.510 4.661 -4.394) 7.304 17.239 ( -0.783 -5.004 -5.814) 7.711 17.239 ( -0.783 5.004 -5.814) 7.711 17.451 ( 6.155 -4.302 -3.659) 8.353 17.451 ( 6.155 4.302 -3.659) 8.353 18.098 ( 15.829 -6.876 -5.827) 18.215 18.098 ( 15.829 6.876 -5.827) 18.215 18.699 ( -8.919 -3.763 -21.871) 23.918 18.699 ( -8.919 3.763 -21.871) 23.918 19.644 ( 0.712 -0.446 2.713) 2.840 19.644 ( 0.712 0.446 2.713) 2.840 19.923 ( -3.253 -2.527 18.043) 18.507 19.923 ( -3.253 2.527 18.043) 18.507 20.849 ( -1.316 -5.526 7.868) 9.704 20.849 ( -1.316 5.526 7.868) 9.704 21.162 ( -2.817 -0.454 9.733) 10.142 21.162 ( -2.817 0.454 9.733) 10.142 ======================= Grid point 76 (32/80) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -0.000 0.000 8.770) 8.770 2.782 ( 0.000 0.000 8.770) 8.770 2.835 ( 0.000 -0.000 0.891) 0.891 2.835 ( 0.000 0.000 0.891) 0.891 3.332 ( 0.000 0.000 0.486) 0.486 3.332 ( 0.000 0.000 0.486) 0.486 3.411 ( -0.000 -0.000 10.873) 10.873 3.411 ( 0.000 0.000 10.873) 10.873 3.411 ( 0.000 -0.000 13.111) 13.111 3.411 ( 0.000 0.000 13.111) 13.111 3.453 ( -0.000 -0.000 7.597) 7.597 3.453 ( -0.000 0.000 7.597) 7.597 4.114 ( 0.000 -0.000 -1.191) 1.191 4.114 ( 0.000 0.000 -1.191) 1.191 4.254 ( 0.000 -0.000 2.894) 2.894 4.254 ( 0.000 0.000 2.894) 2.894 4.302 ( -0.000 -0.000 -11.304) 11.304 4.302 ( 0.000 0.000 -11.304) 11.304 4.442 ( 0.000 -0.000 0.625) 0.625 4.442 ( 0.000 0.000 0.625) 0.625 4.874 ( -0.000 0.000 -5.279) 5.279 4.874 ( 0.000 0.000 -5.279) 5.279 4.904 ( -0.000 0.000 9.533) 9.533 4.904 ( 0.000 0.000 9.533) 9.533 5.136 ( -0.000 0.000 5.645) 5.645 5.136 ( 0.000 0.000 5.645) 5.645 5.247 ( -0.000 -0.000 5.438) 5.438 5.247 ( 0.000 0.000 5.438) 5.438 5.668 ( 0.000 -0.000 3.665) 3.665 5.668 ( 0.000 0.000 3.665) 3.665 5.868 ( 0.000 0.000 0.865) 0.865 5.868 ( 0.000 0.000 0.865) 0.865 6.171 ( 0.000 0.000 1.113) 1.113 6.171 ( 0.000 0.000 1.113) 1.113 6.236 ( -0.000 0.000 -3.708) 3.708 6.236 ( 0.000 0.000 -3.708) 3.708 6.627 ( 0.000 0.000 -3.637) 3.637 6.627 ( 0.000 0.000 -3.637) 3.637 6.983 ( -0.000 0.000 10.271) 10.271 6.983 ( 0.000 0.000 10.271) 10.271 7.026 ( 0.000 -0.000 -2.383) 2.383 7.026 ( 0.000 0.000 -2.383) 2.383 7.101 ( 0.000 0.000 5.646) 5.646 7.101 ( 0.000 0.000 5.646) 5.646 7.693 ( 0.000 -0.000 -3.897) 3.897 7.693 ( 0.000 0.000 -3.897) 3.897 8.005 ( 0.000 0.000 1.958) 1.958 8.005 ( 0.000 0.000 1.958) 1.958 8.132 ( -0.000 0.000 -6.602) 6.602 8.132 ( 0.000 0.000 -6.602) 6.602 8.358 ( -0.000 0.000 7.791) 7.791 8.358 ( 0.000 0.000 7.791) 7.791 8.477 ( 0.000 0.000 2.553) 2.553 8.477 ( 0.000 -0.000 2.553) 2.553 9.422 ( 0.000 -0.000 -1.070) 1.070 9.422 ( 0.000 0.000 -1.070) 1.070 9.653 ( 0.000 0.000 2.616) 2.616 9.653 ( 0.000 0.000 2.616) 2.616 10.058 ( -0.000 -0.000 -4.982) 4.982 10.058 ( 0.000 0.000 -4.982) 4.982 10.233 ( 0.000 0.000 -4.951) 4.951 10.233 ( 0.000 0.000 -4.951) 4.951 10.511 ( 0.000 -0.000 1.383) 1.383 10.511 ( 0.000 0.000 1.383) 1.383 10.559 ( 0.000 0.000 2.300) 2.300 10.559 ( 0.000 0.000 2.300) 2.300 11.009 ( -0.000 -0.000 -2.389) 2.389 11.009 ( 0.000 -0.000 -2.389) 2.389 11.009 ( -0.000 0.000 -7.630) 7.630 11.009 ( 0.000 0.000 -7.630) 7.630 11.380 ( 0.000 0.000 -0.391) 0.391 11.380 ( 0.000 0.000 -0.391) 0.391 12.272 ( 0.000 0.000 -6.316) 6.316 12.272 ( 0.000 0.000 -6.316) 6.316 12.604 ( 0.000 0.000 -12.529) 12.529 12.604 ( 0.000 0.000 -12.529) 12.529 12.722 ( 0.000 0.000 -2.159) 2.159 12.722 ( 0.000 0.000 -2.159) 2.159 13.194 ( 0.000 0.000 -3.963) 3.963 13.194 ( 0.000 0.000 -3.963) 3.963 13.856 ( 0.000 0.000 1.808) 1.808 13.856 ( 0.000 0.000 1.808) 1.808 14.264 ( 0.000 0.000 -3.558) 3.558 14.264 ( 0.000 0.000 -3.558) 3.558 14.297 ( -0.000 0.000 1.738) 1.738 14.297 ( 0.000 -0.000 1.738) 1.738 14.541 ( 0.000 0.000 9.624) 9.624 14.541 ( 0.000 0.000 9.624) 9.624 14.917 ( 0.000 0.000 -0.804) 0.804 14.917 ( -0.000 0.000 -0.804) 0.804 15.407 ( -0.000 0.000 0.882) 0.882 15.407 ( 0.000 0.000 0.882) 0.882 15.474 ( -0.000 0.000 2.437) 2.437 15.474 ( 0.000 0.000 2.437) 2.437 15.760 ( 0.000 0.000 9.587) 9.587 15.760 ( 0.000 0.000 9.587) 9.587 16.158 ( -0.000 0.000 -1.549) 1.549 16.158 ( 0.000 0.000 -1.549) 1.549 16.275 ( -0.000 0.000 -6.525) 6.525 16.275 ( 0.000 0.000 -6.525) 6.525 16.647 ( 0.000 -0.000 6.196) 6.196 16.647 ( 0.000 0.000 6.196) 6.196 17.183 ( 0.000 -0.000 -2.565) 2.565 17.183 ( 0.000 0.000 -2.565) 2.565 17.221 ( 0.000 -0.000 -9.061) 9.061 17.221 ( -0.000 0.000 -9.061) 9.061 17.517 ( 0.000 -0.000 -3.228) 3.228 17.517 ( 0.000 0.000 -3.228) 3.228 18.356 ( -0.000 -0.000 -9.397) 9.397 18.356 ( -0.000 0.000 -9.397) 9.397 18.519 ( 0.000 0.000 -17.473) 17.473 18.519 ( 0.000 0.000 -17.473) 17.473 19.654 ( 0.000 0.000 3.715) 3.715 19.654 ( 0.000 0.000 3.715) 3.715 19.882 ( 0.000 0.000 16.328) 16.328 19.882 ( 0.000 0.000 16.328) 16.328 20.834 ( 0.000 -0.000 7.374) 7.374 20.834 ( 0.000 0.000 7.374) 7.374 21.131 ( 0.000 0.000 10.019) 10.019 21.131 ( 0.000 0.000 10.019) 10.019 ======================= Grid point 98 (33/80) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 0.000 34.722) 34.722 1.665 ( 0.000 0.000 42.101) 42.101 2.512 ( 0.000 0.000 56.319) 56.319 3.033 ( 0.000 0.000 7.437) 7.437 3.262 ( 0.000 0.000 5.743) 5.743 3.307 ( 0.000 0.000 -6.603) 6.603 3.353 ( 0.000 0.000 16.142) 16.142 3.425 ( 0.000 0.000 0.490) 0.490 3.712 ( 0.000 0.000 3.308) 3.308 3.745 ( 0.000 0.000 -1.803) 1.803 3.747 ( 0.000 0.000 10.064) 10.064 3.861 ( 0.000 0.000 6.821) 6.821 3.900 ( 0.000 0.000 -3.295) 3.295 3.926 ( 0.000 0.000 -0.020) 0.020 4.179 ( 0.000 0.000 8.528) 8.528 4.302 ( 0.000 0.000 9.955) 9.955 4.325 ( 0.000 0.000 -5.305) 5.305 4.511 ( 0.000 0.000 5.551) 5.551 4.669 ( 0.000 0.000 -3.663) 3.663 4.797 ( 0.000 0.000 -3.454) 3.454 4.852 ( 0.000 0.000 10.193) 10.193 4.856 ( 0.000 0.000 0.987) 0.987 4.959 ( 0.000 0.000 1.736) 1.736 5.002 ( 0.000 0.000 -2.239) 2.239 5.137 ( 0.000 0.000 1.187) 1.187 5.171 ( 0.000 0.000 10.248) 10.248 5.285 ( 0.000 0.000 2.046) 2.046 5.383 ( 0.000 0.000 -8.172) 8.172 5.497 ( 0.000 0.000 -6.130) 6.130 5.571 ( 0.000 0.000 6.645) 6.645 5.650 ( 0.000 0.000 -6.937) 6.937 5.709 ( 0.000 0.000 2.513) 2.513 6.031 ( 0.000 0.000 -6.189) 6.189 6.256 ( 0.000 0.000 -3.818) 3.818 6.283 ( 0.000 0.000 -9.315) 9.315 6.410 ( 0.000 0.000 -2.215) 2.215 6.583 ( 0.000 0.000 4.171) 4.171 6.682 ( 0.000 0.000 5.583) 5.583 6.953 ( 0.000 0.000 10.807) 10.807 7.001 ( 0.000 0.000 11.356) 11.356 7.194 ( 0.000 0.000 13.052) 13.052 7.305 ( 0.000 0.000 8.956) 8.956 7.362 ( 0.000 0.000 -2.312) 2.312 7.572 ( 0.000 0.000 -4.637) 4.637 7.644 ( 0.000 0.000 3.766) 3.766 7.708 ( 0.000 0.000 -6.341) 6.341 7.838 ( 0.000 0.000 -6.879) 6.879 7.971 ( 0.000 0.000 10.605) 10.605 8.030 ( 0.000 0.000 -2.707) 2.707 8.273 ( 0.000 0.000 -7.018) 7.018 8.603 ( 0.000 0.000 -5.302) 5.302 8.660 ( 0.000 0.000 9.840) 9.840 8.833 ( 0.000 0.000 0.691) 0.691 9.063 ( 0.000 0.000 5.398) 5.398 9.103 ( 0.000 0.000 1.523) 1.523 9.437 ( 0.000 0.000 -6.471) 6.471 9.500 ( 0.000 0.000 -5.518) 5.518 9.761 ( 0.000 0.000 3.110) 3.110 9.776 ( 0.000 0.000 -1.727) 1.727 10.008 ( 0.000 0.000 -4.516) 4.516 10.068 ( 0.000 0.000 1.161) 1.161 10.278 ( 0.000 0.000 -13.754) 13.754 10.309 ( 0.000 0.000 5.901) 5.901 10.358 ( 0.000 0.000 0.167) 0.167 10.372 ( 0.000 0.000 -2.615) 2.615 10.423 ( 0.000 0.000 -1.747) 1.747 10.730 ( 0.000 0.000 -1.027) 1.027 10.975 ( 0.000 0.000 -9.352) 9.352 11.250 ( 0.000 0.000 3.764) 3.764 11.444 ( 0.000 0.000 10.485) 10.485 11.447 ( 0.000 0.000 2.521) 2.521 11.741 ( 0.000 0.000 -7.574) 7.574 11.757 ( 0.000 0.000 -10.939) 10.939 12.098 ( 0.000 0.000 -3.701) 3.701 12.160 ( 0.000 0.000 -10.877) 10.877 12.298 ( 0.000 0.000 -10.195) 10.195 12.593 ( 0.000 0.000 2.276) 2.276 12.842 ( 0.000 0.000 -1.193) 1.193 13.033 ( 0.000 0.000 -10.980) 10.980 13.212 ( 0.000 0.000 -9.909) 9.909 13.988 ( 0.000 0.000 7.357) 7.357 14.020 ( 0.000 0.000 3.416) 3.416 14.163 ( 0.000 0.000 0.022) 0.022 14.188 ( 0.000 0.000 0.131) 0.131 14.325 ( 0.000 0.000 -1.396) 1.396 14.353 ( 0.000 0.000 0.609) 0.609 14.426 ( 0.000 0.000 6.328) 6.328 14.481 ( 0.000 0.000 -0.846) 0.846 14.920 ( 0.000 0.000 1.694) 1.694 14.920 ( 0.000 0.000 0.425) 0.425 15.390 ( 0.000 0.000 11.056) 11.056 15.517 ( 0.000 0.000 1.939) 1.939 15.532 ( 0.000 0.000 2.837) 2.837 15.611 ( 0.000 0.000 2.128) 2.128 15.879 ( 0.000 0.000 7.047) 7.047 16.139 ( 0.000 0.000 4.571) 4.571 16.164 ( 0.000 0.000 -1.884) 1.884 16.199 ( 0.000 0.000 -9.227) 9.227 16.243 ( 0.000 0.000 -2.438) 2.438 16.438 ( 0.000 0.000 -5.236) 5.236 16.481 ( 0.000 0.000 -0.748) 0.748 16.553 ( 0.000 0.000 -1.124) 1.124 16.685 ( 0.000 0.000 -4.007) 4.007 16.711 ( 0.000 0.000 -2.587) 2.587 16.737 ( 0.000 0.000 -2.167) 2.167 16.974 ( 0.000 0.000 -16.662) 16.662 17.186 ( 0.000 0.000 5.748) 5.748 17.749 ( 0.000 0.000 1.266) 1.266 17.777 ( 0.000 0.000 0.063) 0.063 17.808 ( 0.000 0.000 1.006) 1.006 18.343 ( 0.000 0.000 -20.951) 20.951 18.437 ( 0.000 0.000 -23.540) 23.540 19.504 ( 0.000 0.000 4.819) 4.819 19.652 ( 0.000 0.000 2.002) 2.002 20.107 ( 0.000 0.000 11.606) 11.606 20.154 ( 0.000 0.000 7.214) 7.214 20.910 ( 0.000 0.000 21.847) 21.847 21.361 ( 0.000 0.000 5.492) 5.492 21.610 ( 0.000 0.000 12.894) 12.894 22.527 ( 0.000 0.000 -7.142) 7.142 ======================= Grid point 99 (34/80) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 16.276 0.000 29.186) 33.418 1.740 ( 10.176 0.000 36.038) 37.448 2.834 ( 21.354 0.000 38.281) 43.835 3.034 ( 2.330 0.000 8.514) 8.827 3.187 ( -4.760 0.000 3.384) 5.841 3.297 ( -4.737 0.000 9.151) 10.305 3.334 ( 0.822 0.000 3.931) 4.016 3.401 ( -2.728 0.000 6.439) 6.993 3.631 ( -6.152 0.000 20.823) 21.713 3.746 ( 2.540 0.000 1.107) 2.771 3.748 ( -4.298 0.000 -4.011) 5.879 3.842 ( -1.835 0.000 -3.251) 3.733 3.880 ( 2.287 0.000 5.050) 5.544 3.886 ( -4.149 0.000 1.574) 4.437 4.142 ( -3.378 0.000 9.006) 9.619 4.195 ( -7.924 0.000 4.237) 8.986 4.353 ( 1.943 0.000 2.544) 3.201 4.365 ( -9.688 0.000 2.590) 10.028 4.639 ( -2.233 0.000 -1.713) 2.815 4.672 ( -8.298 0.000 -2.644) 8.709 4.788 ( -0.404 0.000 -0.523) 0.660 4.914 ( 2.146 0.000 11.947) 12.139 4.951 ( 0.388 0.000 -0.754) 0.848 5.113 ( -1.487 0.000 2.356) 2.786 5.152 ( 6.117 0.000 -2.876) 6.760 5.184 ( 2.206 0.000 3.977) 4.548 5.391 ( -2.659 0.000 0.334) 2.680 5.460 ( 11.359 0.000 2.840) 11.709 5.500 ( 8.959 0.000 -2.939) 9.428 5.618 ( 1.833 0.000 0.705) 1.964 5.669 ( 1.241 0.000 -4.641) 4.804 5.764 ( 3.468 0.000 5.213) 6.261 6.079 ( 3.743 0.000 -6.062) 7.125 6.216 ( -5.302 0.000 -8.818) 10.289 6.249 ( 0.330 0.000 -3.886) 3.900 6.353 ( -7.171 0.000 -3.262) 7.878 6.479 ( -7.762 0.000 6.100) 9.872 6.614 ( -4.864 0.000 7.685) 9.095 6.956 ( -2.027 0.000 11.264) 11.445 6.980 ( 1.172 0.000 7.193) 7.288 7.206 ( 0.790 0.000 14.239) 14.260 7.307 ( -0.730 0.000 6.556) 6.596 7.331 ( -1.344 0.000 -0.740) 1.535 7.592 ( -4.878 0.000 2.066) 5.297 7.656 ( 2.233 0.000 0.533) 2.296 7.724 ( -0.245 0.000 -6.092) 6.097 7.769 ( -0.158 0.000 -7.998) 8.000 7.997 ( -4.400 0.000 2.535) 5.078 8.047 ( 5.650 0.000 7.366) 9.283 8.323 ( 3.397 0.000 -7.383) 8.127 8.459 ( -4.885 0.000 3.735) 6.149 8.693 ( -3.463 0.000 -7.476) 8.239 8.797 ( 1.513 0.000 4.730) 4.966 8.959 ( -7.024 0.000 5.908) 9.178 9.325 ( 13.854 0.000 -0.475) 13.862 9.478 ( 3.779 0.000 -6.236) 7.292 9.518 ( 0.514 0.000 -5.568) 5.592 9.633 ( -6.047 0.000 5.100) 7.910 9.884 ( 4.213 0.000 -6.360) 7.629 10.042 ( 2.907 0.000 -4.648) 5.483 10.050 ( -1.596 0.000 -0.240) 1.614 10.225 ( -9.877 0.000 -4.251) 10.753 10.290 ( 1.673 0.000 -6.766) 6.970 10.381 ( 1.169 0.000 -0.791) 1.412 10.392 ( 5.892 0.000 1.085) 5.991 10.558 ( 9.908 0.000 -0.982) 9.956 10.791 ( 4.595 0.000 -4.279) 6.279 10.935 ( -4.373 0.000 -10.168) 11.068 11.279 ( -7.560 0.000 9.754) 12.340 11.289 ( 2.024 0.000 1.272) 2.391 11.557 ( 2.316 0.000 5.289) 5.774 11.657 ( -8.764 0.000 -8.668) 12.326 11.815 ( 6.407 0.000 -7.803) 10.097 12.033 ( -0.417 0.000 -8.592) 8.602 12.259 ( 4.342 0.000 -9.682) 10.611 12.268 ( -2.014 0.000 -11.656) 11.829 12.624 ( 2.801 0.000 1.880) 3.373 12.845 ( 0.141 0.000 -1.251) 1.259 13.025 ( -0.730 0.000 -10.059) 10.085 13.141 ( -5.415 0.000 -6.617) 8.550 13.982 ( -0.779 0.000 4.336) 4.406 14.005 ( -1.066 0.000 1.742) 2.042 14.137 ( -1.172 0.000 0.076) 1.174 14.151 ( -2.712 0.000 0.086) 2.714 14.321 ( 0.784 0.000 2.480) 2.601 14.414 ( 4.492 0.000 1.409) 4.708 14.467 ( 2.339 0.000 3.847) 4.502 14.470 ( -1.077 0.000 0.604) 1.235 14.897 ( -1.945 0.000 0.740) 2.081 14.923 ( 0.225 0.000 1.570) 1.586 15.337 ( -9.414 0.000 3.404) 10.011 15.371 ( -1.773 0.000 7.764) 7.964 15.499 ( -1.470 0.000 2.600) 2.986 15.636 ( -2.207 0.000 1.344) 2.584 15.888 ( 1.395 0.000 5.434) 5.610 16.053 ( -3.069 0.000 3.246) 4.467 16.087 ( -1.870 0.000 5.424) 5.737 16.251 ( 0.873 0.000 -3.591) 3.695 16.281 ( 3.047 0.000 -0.875) 3.170 16.410 ( -7.127 0.000 0.387) 7.138 16.492 ( -0.105 0.000 -0.364) 0.379 16.635 ( -8.324 0.000 -8.427) 11.845 16.774 ( 14.253 0.000 -8.650) 16.672 16.776 ( 7.297 0.000 -1.136) 7.385 16.818 ( 10.517 0.000 -6.443) 12.334 17.176 ( 17.037 0.000 -14.147) 22.145 17.353 ( 10.977 0.000 -5.148) 12.124 17.607 ( -5.424 0.000 -2.384) 5.925 17.715 ( -5.372 0.000 -2.370) 5.871 17.967 ( 9.185 0.000 0.716) 9.213 18.363 ( -0.619 0.000 -20.134) 20.144 18.406 ( -1.235 0.000 -22.216) 22.251 19.535 ( 2.889 0.000 5.105) 5.866 19.655 ( 0.309 0.000 2.393) 2.413 20.079 ( -2.387 0.000 11.453) 11.699 20.141 ( -1.288 0.000 7.234) 7.348 20.929 ( 1.893 0.000 21.750) 21.832 21.351 ( -1.019 0.000 6.269) 6.351 21.592 ( -1.626 0.000 12.634) 12.739 22.206 ( -24.843 0.000 7.608) 25.982 ======================= Grid point 100 (35/80) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 22.490 0.000 19.664) 29.874 2.127 ( 25.012 0.000 18.936) 31.371 2.844 ( -12.049 0.000 4.674) 12.923 3.127 ( -1.695 0.000 5.689) 5.936 3.151 ( 1.719 0.000 7.216) 7.418 3.170 ( -8.277 0.000 -0.460) 8.289 3.267 ( -11.442 0.000 10.110) 15.269 3.508 ( 6.086 0.000 8.819) 10.715 3.532 ( -15.557 0.000 -4.699) 16.252 3.647 ( -7.026 0.000 9.117) 11.510 3.733 ( 21.325 0.000 35.396) 41.323 3.827 ( 5.032 0.000 2.733) 5.726 3.949 ( 3.864 0.000 -0.886) 3.964 3.952 ( 5.526 0.000 3.303) 6.438 4.021 ( -5.714 0.000 7.571) 9.485 4.097 ( -2.483 0.000 3.925) 4.645 4.187 ( -6.419 0.000 3.580) 7.350 4.396 ( 0.348 0.000 7.127) 7.136 4.558 ( -1.649 0.000 -5.493) 5.735 4.614 ( -0.012 0.000 -0.392) 0.393 4.809 ( 1.407 0.000 1.659) 2.175 4.938 ( 1.660 0.000 2.419) 2.934 4.943 ( -0.857 0.000 -2.498) 2.640 5.076 ( -1.877 0.000 3.179) 3.692 5.193 ( -0.555 0.000 -2.386) 2.449 5.245 ( 0.505 0.000 2.969) 3.012 5.440 ( 4.949 0.000 3.833) 6.260 5.611 ( -1.062 0.000 7.326) 7.402 5.668 ( 3.021 0.000 2.540) 3.947 5.669 ( 6.426 0.000 1.280) 6.553 5.724 ( 5.247 0.000 -2.083) 5.646 5.803 ( -0.078 0.000 6.314) 6.315 6.105 ( -1.676 0.000 -2.715) 3.190 6.110 ( -3.193 0.000 -3.922) 5.057 6.143 ( -8.779 0.000 -5.238) 10.223 6.257 ( -3.977 0.000 -5.616) 6.881 6.386 ( 2.786 0.000 3.593) 4.547 6.506 ( -4.816 0.000 6.705) 8.256 6.967 ( -1.882 0.000 1.462) 2.383 6.986 ( 3.622 0.000 9.208) 9.894 7.177 ( -3.128 0.000 10.118) 10.591 7.260 ( -1.133 0.000 2.845) 3.062 7.350 ( 0.266 0.000 5.826) 5.832 7.464 ( -5.721 0.000 3.891) 6.919 7.628 ( -1.343 0.000 5.598) 5.756 7.660 ( -4.270 0.000 6.848) 8.070 7.863 ( 3.957 0.000 -7.232) 8.243 7.919 ( -1.726 0.000 -3.038) 3.494 8.173 ( 5.909 0.000 3.435) 6.835 8.386 ( 2.735 0.000 -6.992) 7.507 8.390 ( -3.433 0.000 7.059) 7.850 8.556 ( -6.527 0.000 -8.469) 10.693 8.874 ( -0.094 0.000 7.286) 7.287 8.888 ( 4.047 0.000 0.299) 4.058 9.484 ( -2.275 0.000 -7.325) 7.671 9.503 ( -4.102 0.000 3.409) 5.334 9.562 ( 6.064 0.000 -2.697) 6.637 9.596 ( 5.276 0.000 -4.425) 6.886 9.977 ( 2.441 0.000 -5.853) 6.342 10.006 ( -8.320 0.000 -4.469) 9.444 10.014 ( 1.180 0.000 -4.216) 4.378 10.116 ( 2.415 0.000 -6.213) 6.666 10.348 ( 4.018 0.000 -4.832) 6.284 10.411 ( 1.930 0.000 -1.442) 2.409 10.492 ( 2.397 0.000 2.697) 3.608 10.743 ( -5.893 0.000 -4.032) 7.140 10.828 ( 7.202 0.000 -5.976) 9.359 10.888 ( 4.826 0.000 -6.151) 7.818 11.145 ( -5.429 0.000 7.805) 9.507 11.265 ( -5.092 0.000 -0.140) 5.094 11.478 ( -5.753 0.000 -2.987) 6.483 11.534 ( -3.760 0.000 5.370) 6.556 11.966 ( 6.872 0.000 -8.449) 10.891 12.072 ( 2.248 0.000 -13.025) 13.218 12.254 ( 0.992 0.000 -14.422) 14.456 12.312 ( 0.664 0.000 -12.223) 12.241 12.701 ( 4.209 0.000 0.864) 4.297 12.836 ( -1.288 0.000 -1.109) 1.699 13.007 ( -0.817 0.000 -7.593) 7.637 13.039 ( -3.522 0.000 -3.617) 5.048 13.959 ( -0.886 0.000 -1.730) 1.943 13.981 ( -1.258 0.000 -2.550) 2.844 14.110 ( -0.751 0.000 0.884) 1.160 14.128 ( -0.155 0.000 1.163) 1.173 14.357 ( 2.180 0.000 5.224) 5.660 14.437 ( -1.740 0.000 4.040) 4.399 14.502 ( 3.065 0.000 1.802) 3.555 14.505 ( 1.382 0.000 3.251) 3.532 14.858 ( -1.101 0.000 1.735) 2.055 14.916 ( -1.392 0.000 1.714) 2.208 15.214 ( -2.123 0.000 2.430) 3.227 15.313 ( -3.702 0.000 2.367) 4.394 15.476 ( -0.216 0.000 2.394) 2.403 15.563 ( -3.723 0.000 -0.081) 3.724 15.953 ( 4.716 0.000 3.803) 6.058 16.037 ( 1.095 0.000 5.658) 5.763 16.078 ( 0.094 0.000 5.657) 5.658 16.239 ( -8.000 0.000 5.348) 9.623 16.257 ( 0.574 0.000 0.437) 0.722 16.354 ( 3.112 0.000 0.211) 3.120 16.450 ( -8.252 0.000 -4.309) 9.309 16.470 ( -1.815 0.000 1.378) 2.279 16.933 ( 7.559 0.000 -6.904) 10.237 17.017 ( 8.696 0.000 -5.349) 10.209 17.099 ( 13.622 0.000 -4.188) 14.252 17.373 ( -5.339 0.000 -6.724) 8.586 17.427 ( 5.064 0.000 -15.384) 16.196 17.575 ( -7.378 0.000 -5.652) 9.294 17.749 ( 13.862 0.000 -10.485) 17.381 18.180 ( 10.428 0.000 -9.820) 14.324 18.246 ( -8.514 0.000 -19.222) 21.023 18.419 ( -0.217 0.000 -19.338) 19.339 19.613 ( 3.877 0.000 5.302) 6.568 19.665 ( 0.585 0.000 3.464) 3.513 20.029 ( -1.633 0.000 10.804) 10.927 20.097 ( -2.816 0.000 7.754) 8.250 20.997 ( 4.872 0.000 21.447) 21.994 21.302 ( -4.508 0.000 10.276) 11.221 21.552 ( -1.805 0.000 12.230) 12.362 21.721 ( -17.259 0.000 18.335) 25.180 ======================= Grid point 101 (36/80) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -17.861 0.000 11.281) 21.126 2.444 ( 17.861 0.000 11.281) 21.126 2.750 ( -25.369 0.000 4.769) 25.813 2.750 ( 25.369 0.000 4.769) 25.813 3.120 ( -2.439 0.000 7.700) 8.077 3.120 ( 2.439 0.000 7.700) 8.077 3.274 ( -8.914 0.000 0.901) 8.959 3.274 ( 8.914 0.000 0.901) 8.959 3.567 ( -2.155 0.000 9.742) 9.978 3.567 ( 2.155 0.000 9.742) 9.978 3.918 ( -4.546 0.000 3.837) 5.948 3.918 ( 4.546 0.000 3.837) 5.948 3.967 ( -2.482 0.000 -0.189) 2.489 3.967 ( 2.482 0.000 -0.189) 2.489 4.082 ( -1.331 0.000 7.265) 7.386 4.082 ( 1.331 0.000 7.265) 7.386 4.271 ( -12.957 0.000 15.269) 20.025 4.271 ( 12.957 0.000 15.269) 20.025 4.598 ( -2.658 0.000 -2.964) 3.981 4.598 ( 2.658 0.000 -2.964) 3.981 4.890 ( -5.603 0.000 4.763) 7.354 4.890 ( 5.603 0.000 4.763) 7.354 5.006 ( -4.853 0.000 -0.903) 4.936 5.006 ( 4.853 0.000 -0.903) 4.936 5.181 ( -1.381 0.000 0.219) 1.398 5.181 ( 1.381 0.000 0.219) 1.398 5.550 ( -4.523 0.000 5.652) 7.239 5.550 ( 4.523 0.000 5.652) 7.239 5.720 ( -1.417 0.000 5.106) 5.299 5.720 ( 1.417 0.000 5.106) 5.299 5.776 ( -1.917 0.000 3.420) 3.921 5.776 ( 1.917 0.000 3.420) 3.921 6.066 ( -0.446 0.000 -4.292) 4.315 6.066 ( 0.446 0.000 -4.292) 4.315 6.152 ( -5.070 0.000 -4.211) 6.591 6.152 ( 5.070 0.000 -4.211) 6.591 6.441 ( -1.512 0.000 3.605) 3.909 6.441 ( 1.512 0.000 3.605) 3.909 6.977 ( -3.338 0.000 -0.083) 3.339 6.977 ( 3.338 0.000 -0.083) 3.339 7.210 ( -5.347 0.000 11.004) 12.234 7.210 ( 5.347 0.000 11.004) 12.234 7.362 ( -3.473 0.000 3.777) 5.131 7.362 ( 3.473 0.000 3.777) 5.131 7.619 ( -0.178 0.000 9.823) 9.825 7.619 ( 0.178 0.000 9.823) 9.825 7.901 ( -0.591 0.000 -6.395) 6.422 7.901 ( 0.591 0.000 -6.395) 6.422 8.294 ( -5.444 0.000 4.933) 7.347 8.294 ( 5.444 0.000 4.933) 7.347 8.451 ( -3.709 0.000 -7.572) 8.432 8.451 ( 3.709 0.000 -7.572) 8.432 8.913 ( -1.711 0.000 5.366) 5.632 8.913 ( 1.711 0.000 5.366) 5.632 9.446 ( -0.137 0.000 -3.566) 3.569 9.446 ( 0.137 0.000 -3.566) 3.569 9.645 ( -1.331 0.000 -5.338) 5.502 9.645 ( 1.331 0.000 -5.338) 5.502 9.931 ( -1.544 0.000 -3.987) 4.276 9.931 ( 1.544 0.000 -3.987) 4.276 10.121 ( -3.021 0.000 -7.179) 7.789 10.121 ( 3.021 0.000 -7.179) 7.789 10.453 ( -0.480 0.000 -6.179) 6.198 10.453 ( 0.480 0.000 -6.179) 6.198 10.522 ( -7.402 0.000 4.049) 8.437 10.522 ( 7.402 0.000 4.049) 8.437 10.999 ( -3.321 0.000 -3.622) 4.914 10.999 ( 3.321 0.000 -3.622) 4.914 11.091 ( -8.206 0.000 -1.819) 8.405 11.091 ( 8.206 0.000 -1.819) 8.405 11.454 ( -2.529 0.000 4.859) 5.478 11.454 ( 2.529 0.000 4.859) 5.478 12.072 ( -2.700 0.000 -10.862) 11.193 12.072 ( 2.700 0.000 -10.862) 11.193 12.293 ( -2.022 0.000 -15.126) 15.260 12.293 ( 2.022 0.000 -15.126) 15.260 12.786 ( -3.440 0.000 -0.340) 3.456 12.786 ( 3.440 0.000 -0.340) 3.456 13.000 ( -0.446 0.000 -4.589) 4.610 13.000 ( 0.446 0.000 -4.589) 4.610 13.957 ( -0.712 0.000 -4.393) 4.450 13.957 ( 0.712 0.000 -4.393) 4.450 14.117 ( -0.873 0.000 1.139) 1.435 14.117 ( 0.873 0.000 1.139) 1.435 14.400 ( -1.822 0.000 6.528) 6.778 14.400 ( 1.822 0.000 6.528) 6.778 14.528 ( -0.467 0.000 2.050) 2.102 14.528 ( 0.467 0.000 2.050) 2.102 14.870 ( -2.114 0.000 2.385) 3.187 14.870 ( 2.114 0.000 2.385) 3.187 15.233 ( -3.159 0.000 1.208) 3.382 15.233 ( 3.159 0.000 1.208) 3.382 15.498 ( -2.239 0.000 0.204) 2.248 15.498 ( 2.239 0.000 0.204) 2.248 16.064 ( -2.620 0.000 -1.176) 2.872 16.064 ( 2.620 0.000 -1.176) 2.872 16.084 ( -5.613 0.000 11.681) 12.959 16.084 ( 5.613 0.000 11.681) 12.959 16.305 ( -4.540 0.000 -0.182) 4.544 16.305 ( 4.540 0.000 -0.182) 4.544 16.421 ( -2.721 0.000 2.377) 3.613 16.421 ( 2.721 0.000 2.377) 3.613 17.071 ( -4.161 0.000 -7.333) 8.431 17.071 ( 4.161 0.000 -7.333) 8.431 17.306 ( -3.843 0.000 -6.105) 7.214 17.306 ( 3.843 0.000 -6.105) 7.214 17.451 ( -1.945 0.000 -8.780) 8.993 17.451 ( 1.945 0.000 -8.780) 8.993 18.026 ( -12.118 0.000 -14.809) 19.135 18.026 ( 12.118 0.000 -14.809) 19.135 18.359 ( -5.771 0.000 -17.717) 18.633 18.359 ( 5.771 0.000 -17.717) 18.633 19.667 ( -0.928 0.000 4.647) 4.739 19.667 ( 0.928 0.000 4.647) 4.739 20.036 ( -2.286 0.000 9.311) 9.587 20.036 ( 2.286 0.000 9.311) 9.587 21.143 ( -8.786 0.000 19.267) 21.176 21.143 ( 8.786 0.000 19.267) 21.176 21.541 ( -1.852 0.000 13.480) 13.607 21.541 ( 1.852 0.000 13.480) 13.607 ======================= Grid point 105 (37/80) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 21.549 27.606) 35.021 1.819 ( 0.000 14.347 37.413) 40.070 2.749 ( 0.000 21.564 48.144) 52.753 3.014 ( 0.000 -1.934 7.892) 8.125 3.280 ( 0.000 -4.428 14.635) 15.291 3.308 ( 0.000 -1.096 7.094) 7.178 3.389 ( 0.000 4.768 -3.897) 6.158 3.440 ( 0.000 -6.017 13.376) 14.667 3.482 ( 0.000 -3.240 6.794) 7.527 3.521 ( 0.000 -8.937 1.054) 8.999 3.697 ( 0.000 -1.150 1.810) 2.144 3.931 ( 0.000 2.603 -1.802) 3.166 4.012 ( 0.000 8.023 -1.105) 8.098 4.201 ( 0.000 13.081 1.642) 13.184 4.215 ( 0.000 3.478 7.213) 8.008 4.295 ( 0.000 -2.583 -7.018) 7.479 4.384 ( 0.000 0.838 5.254) 5.320 4.422 ( 0.000 -1.157 7.868) 7.952 4.745 ( 0.000 1.823 -4.031) 4.424 4.771 ( 0.000 -3.306 10.476) 10.985 4.775 ( 0.000 -5.327 -1.764) 5.611 4.879 ( 0.000 5.137 -2.064) 5.536 4.968 ( 0.000 1.721 -0.779) 1.889 4.979 ( 0.000 -2.013 1.041) 2.267 5.133 ( 0.000 -0.353 0.365) 0.508 5.193 ( 0.000 2.024 8.724) 8.955 5.313 ( 0.000 2.231 5.951) 6.355 5.372 ( 0.000 -10.883 -4.351) 11.721 5.486 ( 0.000 7.964 -5.665) 9.773 5.566 ( 0.000 -0.880 6.603) 6.662 5.704 ( 0.000 2.617 -3.580) 4.435 5.722 ( 0.000 2.158 -1.429) 2.588 6.042 ( 0.000 1.558 -6.874) 7.049 6.231 ( 0.000 -1.609 -0.944) 1.865 6.299 ( 0.000 1.600 -9.078) 9.218 6.417 ( 0.000 0.098 -3.806) 3.807 6.543 ( 0.000 -3.183 3.913) 5.044 6.633 ( 0.000 -4.422 7.949) 9.097 6.928 ( 0.000 -2.944 7.190) 7.770 7.003 ( 0.000 0.319 9.796) 9.801 7.219 ( 0.000 1.036 6.342) 6.426 7.298 ( 0.000 -4.742 -1.540) 4.985 7.336 ( 0.000 1.493 13.721) 13.802 7.629 ( 0.000 3.885 -5.438) 6.683 7.654 ( 0.000 1.327 0.186) 1.340 7.726 ( 0.000 2.583 -4.182) 4.915 7.747 ( 0.000 -11.310 5.714) 12.671 7.957 ( 0.000 8.961 -11.589) 14.649 8.175 ( 0.000 -4.447 -5.747) 7.267 8.250 ( 0.000 7.565 4.160) 8.633 8.604 ( 0.000 -0.107 -3.288) 3.289 8.725 ( 0.000 -0.550 -2.955) 3.006 8.802 ( 0.000 2.336 11.817) 12.046 9.078 ( 0.000 -0.926 0.804) 1.226 9.081 ( 0.000 2.141 4.342) 4.841 9.412 ( 0.000 -2.401 -5.378) 5.890 9.507 ( 0.000 0.449 -3.018) 3.051 9.650 ( 0.000 -7.465 8.103) 11.017 9.816 ( 0.000 3.113 -2.031) 3.717 9.942 ( 0.000 -3.890 -0.907) 3.995 10.163 ( 0.000 -6.872 -7.017) 9.821 10.237 ( 0.000 8.186 -8.553) 11.839 10.286 ( 0.000 -2.100 5.475) 5.864 10.371 ( 0.000 -0.043 -2.626) 2.626 10.442 ( 0.000 2.436 -1.121) 2.681 10.477 ( 0.000 6.852 -6.110) 9.181 10.699 ( 0.000 -2.746 -0.628) 2.817 10.932 ( 0.000 -4.433 -9.929) 10.873 11.139 ( 0.000 -6.591 4.050) 7.736 11.357 ( 0.000 -7.237 2.021) 7.514 11.548 ( 0.000 6.506 7.089) 9.622 11.607 ( 0.000 -4.596 -5.982) 7.544 11.839 ( 0.000 2.682 -11.123) 11.441 12.092 ( 0.000 -5.704 -11.070) 12.453 12.195 ( 0.000 6.253 -7.164) 9.509 12.299 ( 0.000 -0.113 -10.883) 10.884 12.629 ( 0.000 2.922 1.257) 3.181 12.814 ( 0.000 -2.763 -1.000) 2.939 13.011 ( 0.000 -2.078 -9.406) 9.633 13.074 ( 0.000 -8.859 -4.870) 10.109 14.024 ( 0.000 2.289 6.598) 6.984 14.029 ( 0.000 0.783 2.629) 2.743 14.185 ( 0.000 -0.377 0.663) 0.763 14.190 ( 0.000 -1.690 -1.429) 2.213 14.306 ( 0.000 3.946 0.923) 4.053 14.378 ( 0.000 2.330 1.873) 2.989 14.449 ( 0.000 2.059 6.102) 6.440 14.599 ( 0.000 5.938 1.614) 6.153 14.904 ( 0.000 -0.335 1.268) 1.311 14.943 ( 0.000 2.007 0.599) 2.094 15.343 ( 0.000 -2.071 7.451) 7.734 15.428 ( 0.000 -3.866 1.668) 4.211 15.642 ( 0.000 5.796 3.476) 6.758 15.715 ( 0.000 6.062 0.821) 6.117 15.893 ( 0.000 1.758 7.149) 7.361 16.078 ( 0.000 -4.197 4.622) 6.243 16.114 ( 0.000 -5.630 -5.697) 8.010 16.218 ( 0.000 -1.766 -5.084) 5.382 16.238 ( 0.000 5.516 -5.273) 7.631 16.460 ( 0.000 -0.907 0.108) 0.913 16.620 ( 0.000 3.277 -2.985) 4.433 16.635 ( 0.000 12.353 -9.082) 15.333 16.680 ( 0.000 2.627 -2.444) 3.588 16.766 ( 0.000 5.533 -3.149) 6.366 16.794 ( 0.000 5.049 -4.277) 6.617 16.988 ( 0.000 1.063 -13.615) 13.656 17.153 ( 0.000 -2.191 6.587) 6.942 17.701 ( 0.000 -4.489 0.952) 4.589 17.728 ( 0.000 -5.088 -0.091) 5.089 17.755 ( 0.000 -4.690 0.268) 4.698 18.339 ( 0.000 -0.280 -22.070) 22.072 18.427 ( 0.000 -0.939 -23.722) 23.740 19.554 ( 0.000 4.201 3.857) 5.703 19.655 ( 0.000 0.381 2.370) 2.400 20.158 ( 0.000 4.704 12.533) 13.387 20.204 ( 0.000 4.598 8.043) 9.264 20.917 ( 0.000 0.983 20.380) 20.403 21.337 ( 0.000 -2.244 5.376) 5.826 21.552 ( 0.000 -5.328 12.362) 13.462 22.230 ( 0.000 -24.141 3.909) 24.456 ======================= Grid point 106 (38/80) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 14.175 17.646 24.364) 33.255 1.931 ( 10.961 18.100 30.698) 37.284 2.953 ( 5.559 5.382 17.101) 18.770 3.053 ( 11.675 6.198 22.490) 26.087 3.209 ( -4.506 -2.642 5.632) 7.681 3.265 ( -3.704 -1.130 10.941) 11.606 3.397 ( 1.198 5.423 16.617) 17.521 3.434 ( -4.039 3.225 2.105) 5.581 3.488 ( 3.304 -2.298 8.658) 9.548 3.589 ( 6.605 -11.860 4.001) 14.153 3.685 ( -2.033 -3.083 -0.409) 3.715 3.890 ( -2.133 5.108 0.123) 5.537 4.008 ( -4.835 7.315 -3.394) 9.402 4.051 ( -8.314 6.210 5.997) 11.986 4.188 ( -2.896 4.648 7.896) 9.609 4.267 ( -5.615 1.640 -0.368) 5.862 4.325 ( -3.267 -0.032 -1.920) 3.790 4.343 ( -2.902 0.626 8.448) 8.954 4.675 ( -4.914 1.847 0.761) 5.304 4.750 ( -5.399 5.120 -3.045) 8.040 4.786 ( 0.042 1.368 -0.802) 1.586 4.844 ( 1.711 -6.065 8.405) 10.505 4.955 ( 0.722 0.298 -1.976) 2.125 5.057 ( 2.426 -4.581 0.895) 5.261 5.120 ( -0.557 -0.068 2.252) 2.321 5.221 ( 2.279 1.824 3.684) 4.700 5.333 ( 0.210 -6.151 -0.535) 6.178 5.463 ( 9.627 0.080 5.511) 11.093 5.544 ( 2.661 -0.993 1.318) 3.131 5.599 ( 7.225 4.231 0.535) 8.390 5.715 ( -0.619 2.450 -3.349) 4.196 5.789 ( 4.081 2.079 2.360) 5.152 6.083 ( 2.875 0.760 -6.378) 7.037 6.223 ( -3.981 0.563 -8.171) 9.106 6.237 ( -0.380 -0.696 -3.890) 3.970 6.367 ( -6.307 0.665 -3.308) 7.153 6.462 ( -5.746 -1.099 5.563) 8.072 6.605 ( -2.527 -1.243 8.103) 8.579 6.923 ( 0.624 -3.320 8.010) 8.693 6.993 ( -1.541 2.263 8.177) 8.623 7.220 ( 1.197 -0.640 7.348) 7.472 7.267 ( -2.860 -3.367 0.624) 4.461 7.357 ( 1.564 1.812 11.299) 11.550 7.628 ( -3.138 2.601 3.337) 5.267 7.647 ( -4.103 -0.295 -4.329) 5.972 7.724 ( 1.759 -1.564 -1.207) 2.645 7.792 ( 3.216 -7.112 -0.940) 7.861 7.844 ( -3.690 4.808 -8.576) 10.502 8.219 ( -2.224 7.312 3.793) 8.532 8.260 ( 3.385 -4.745 -6.934) 9.059 8.464 ( -5.580 0.470 4.367) 7.101 8.674 ( -6.953 -3.247 -4.154) 8.726 8.876 ( 4.193 6.090 6.875) 10.096 8.901 ( -6.752 -2.560 2.341) 7.591 9.326 ( 12.906 1.226 -0.266) 12.967 9.466 ( 4.528 -3.751 -4.876) 7.638 9.527 ( 0.891 1.555 -3.133) 3.610 9.564 ( -5.644 -5.651 7.073) 10.669 9.825 ( 0.879 -2.049 -0.637) 2.319 9.993 ( 2.936 -0.445 -3.778) 4.805 10.178 ( -0.441 -3.346 -6.417) 7.251 10.232 ( -3.973 4.905 -6.186) 8.838 10.287 ( -1.554 1.907 -6.376) 6.834 10.362 ( 6.002 -2.335 3.817) 7.486 10.420 ( 0.249 3.273 -2.182) 3.942 10.595 ( 8.008 2.992 -2.825) 9.003 10.732 ( 2.528 -5.060 -2.160) 6.055 10.899 ( -3.278 -3.353 -10.780) 11.756 11.142 ( -0.482 -7.271 4.469) 8.549 11.316 ( -3.257 -3.744 2.852) 5.724 11.528 ( -2.668 1.064 4.011) 4.933 11.627 ( -0.671 -1.158 -4.698) 4.885 11.867 ( 4.239 2.410 -11.008) 12.040 12.061 ( -0.865 0.041 -9.972) 10.010 12.224 ( 1.042 -0.383 -10.849) 10.906 12.292 ( 0.254 1.135 -11.168) 11.229 12.652 ( 2.020 2.005 0.776) 2.950 12.817 ( -0.033 -2.787 -1.525) 3.177 13.008 ( -0.044 -1.867 -7.564) 7.791 13.066 ( -0.760 -4.411 -4.926) 6.656 14.002 ( -2.360 1.183 2.337) 3.525 14.016 ( -0.675 1.034 3.796) 3.991 14.153 ( -2.788 -0.085 0.565) 2.846 14.176 ( -0.401 1.386 0.320) 1.478 14.284 ( -0.119 0.009 0.353) 0.373 14.438 ( 0.967 0.610 1.515) 1.898 14.463 ( 3.397 3.255 5.469) 7.214 14.586 ( -0.721 5.774 3.405) 6.742 14.915 ( 0.197 -0.076 1.030) 1.051 14.924 ( -1.126 2.195 1.294) 2.785 15.313 ( -3.278 -0.347 4.832) 5.849 15.410 ( -0.843 -0.220 2.553) 2.698 15.536 ( -5.841 5.246 2.857) 8.355 15.694 ( -3.545 4.478 0.968) 5.793 15.900 ( 1.247 1.224 5.561) 5.829 16.021 ( -2.423 -2.687 3.046) 4.729 16.091 ( -1.379 -0.774 2.777) 3.196 16.176 ( -2.148 -3.445 0.202) 4.065 16.270 ( 2.659 -1.124 -2.183) 3.619 16.496 ( -2.625 4.992 0.240) 5.645 16.534 ( -6.037 2.382 -3.671) 7.456 16.641 ( -1.105 1.939 -8.486) 8.775 16.731 ( 6.681 0.685 -2.698) 7.238 16.823 ( 5.216 4.259 -3.367) 7.529 16.946 ( 10.018 7.399 -7.839) 14.716 17.145 ( 14.814 -2.616 -11.352) 18.846 17.336 ( 10.471 -1.538 -4.795) 11.619 17.554 ( -5.552 -5.081 -2.279) 7.864 17.709 ( -1.520 -0.526 -3.929) 4.245 17.916 ( 9.452 -4.695 0.475) 10.565 18.353 ( -0.424 -0.902 -20.719) 20.743 18.397 ( -1.732 -0.862 -22.574) 22.657 19.580 ( 2.453 3.800 4.255) 6.209 19.660 ( 0.495 0.556 2.770) 2.869 20.126 ( -2.717 4.365 12.259) 13.294 20.191 ( -1.344 4.539 8.085) 9.369 20.931 ( 1.421 0.520 20.196) 20.252 21.322 ( -1.560 -2.800 6.329) 7.094 21.535 ( -1.535 -5.218 12.218) 13.374 22.002 ( -18.088 -17.057 11.529) 27.405 ======================= Grid point 107 (39/80) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 24.781 13.318 13.738) 31.308 2.254 ( 18.421 17.005 19.354) 31.672 2.927 ( -5.555 3.771 1.653) 6.915 3.106 ( -2.542 -2.438 7.388) 8.184 3.142 ( -8.006 2.023 2.867) 8.741 3.166 ( -3.759 0.897 8.554) 9.387 3.307 ( -7.772 3.509 5.884) 10.360 3.520 ( -5.774 -0.077 -5.042) 7.666 3.547 ( -3.000 1.651 6.609) 7.444 3.645 ( -1.359 2.617 13.649) 13.964 3.775 ( 8.199 -5.119 9.414) 13.493 3.825 ( 14.455 3.816 24.325) 28.553 3.895 ( 2.339 4.997 3.669) 6.626 4.034 ( -0.935 3.401 0.242) 3.536 4.083 ( -5.406 4.605 5.682) 9.095 4.167 ( -5.178 -1.571 6.249) 8.266 4.231 ( 0.228 9.705 3.713) 10.394 4.381 ( 2.868 -1.552 2.858) 4.336 4.582 ( -3.837 1.318 -0.237) 4.064 4.644 ( -3.676 2.774 -1.928) 4.993 4.798 ( 1.447 -1.315 0.943) 2.171 4.886 ( 2.022 -3.651 0.635) 4.221 4.956 ( -0.558 0.963 -1.774) 2.094 5.032 ( -3.979 -6.066 -0.072) 7.255 5.118 ( 1.504 -1.701 2.569) 3.428 5.265 ( 0.354 -0.090 2.931) 2.953 5.439 ( 7.061 -1.229 4.044) 8.230 5.601 ( 0.898 -0.155 8.134) 8.185 5.642 ( 5.420 -3.018 4.177) 7.479 5.691 ( 1.065 0.862 0.231) 1.389 5.755 ( 4.219 2.871 2.170) 5.545 5.815 ( -1.179 2.641 2.248) 3.663 6.104 ( -0.412 0.329 -3.331) 3.373 6.137 ( -2.996 1.217 -5.987) 6.804 6.169 ( -8.005 2.536 -1.814) 8.591 6.249 ( -3.286 -0.726 -5.929) 6.817 6.415 ( 3.429 2.888 2.641) 5.203 6.539 ( -3.322 2.643 6.820) 8.033 6.944 ( 1.146 -1.125 4.545) 4.820 7.006 ( 2.530 1.355 7.618) 8.140 7.188 ( -3.940 -1.279 3.172) 5.217 7.228 ( -0.684 -1.878 4.972) 5.359 7.378 ( -0.868 1.747 7.753) 7.994 7.469 ( -7.735 -1.801 2.251) 8.255 7.580 ( -1.209 -0.168 7.854) 7.948 7.687 ( -3.890 0.821 5.031) 6.413 7.849 ( 3.187 -2.743 -6.168) 7.465 7.900 ( 3.191 0.025 -7.613) 8.254 8.189 ( 0.611 1.467 0.712) 1.741 8.294 ( -0.636 -7.349 -7.627) 10.610 8.392 ( -1.682 -0.805 7.119) 7.359 8.508 ( -7.486 -2.167 -3.189) 8.421 8.822 ( 1.119 -5.687 7.092) 9.159 8.954 ( 1.163 4.909 3.098) 5.920 9.432 ( -4.191 -6.735 4.109) 8.933 9.485 ( -2.753 0.149 -2.146) 3.494 9.556 ( 7.707 1.050 -4.286) 8.881 9.619 ( 4.747 1.488 -4.906) 6.987 9.888 ( 5.463 -5.696 -0.755) 7.928 10.025 ( 0.354 2.873 -6.607) 7.214 10.053 ( -6.807 3.465 -4.767) 9.004 10.166 ( -2.017 -0.834 -8.175) 8.461 10.365 ( 5.704 2.702 -6.199) 8.846 10.436 ( 1.347 2.413 -1.422) 3.109 10.475 ( 3.248 -1.408 3.191) 4.766 10.724 ( -6.576 -3.264 -3.230) 8.021 10.800 ( 10.556 -0.808 -4.707) 11.586 10.850 ( 2.869 -3.621 -8.245) 9.452 11.099 ( -3.770 -4.439 4.926) 7.628 11.228 ( -5.566 -2.924 0.597) 6.315 11.446 ( -3.391 -1.316 1.789) 4.053 11.546 ( -5.748 0.042 1.270) 5.886 11.997 ( 6.097 1.999 -10.820) 12.580 12.078 ( 1.660 0.459 -11.697) 11.823 12.245 ( 1.620 -0.703 -14.773) 14.878 12.306 ( 0.256 0.036 -13.367) 13.369 12.702 ( 2.510 -0.435 -0.105) 2.550 12.802 ( -1.502 -3.097 -2.095) 4.030 13.015 ( 0.698 0.803 -4.666) 4.786 13.048 ( -0.817 1.164 -4.691) 4.901 13.955 ( -1.376 -0.330 -0.689) 1.574 13.995 ( -1.669 0.427 -0.151) 1.729 14.105 ( -0.679 0.268 1.008) 1.245 14.167 ( -1.166 2.952 0.574) 3.225 14.310 ( 2.327 -2.313 1.763) 3.725 14.415 ( -1.918 -1.434 1.906) 3.061 14.553 ( 3.565 4.101 5.354) 7.628 14.584 ( 0.586 5.420 4.979) 7.383 14.880 ( -1.510 1.716 1.796) 2.907 14.921 ( -1.085 0.554 1.602) 2.012 15.249 ( -1.071 3.207 2.796) 4.388 15.378 ( -3.590 5.768 1.348) 6.926 15.467 ( 0.084 -0.723 2.970) 3.058 15.596 ( -4.804 2.888 0.206) 5.609 15.962 ( 4.568 0.814 4.610) 6.541 16.007 ( 1.044 -2.303 3.924) 4.668 16.080 ( -0.546 -0.179 7.113) 7.136 16.140 ( -1.182 -5.127 1.256) 5.409 16.276 ( -2.670 -1.042 1.544) 3.255 16.377 ( -7.244 -1.801 -3.652) 8.310 16.463 ( 0.561 6.793 2.585) 7.290 16.569 ( -3.135 6.595 -1.074) 7.381 16.937 ( 7.256 -0.617 -8.811) 11.431 16.975 ( 9.451 -1.044 -3.683) 10.196 17.151 ( 8.277 2.586 -4.750) 9.887 17.341 ( -4.220 -3.389 -7.656) 9.376 17.363 ( 4.173 -4.441 -10.645) 12.266 17.548 ( -1.649 -3.332 -7.401) 8.282 17.789 ( 10.418 3.683 -9.619) 14.650 18.128 ( 8.799 -3.931 -10.528) 14.272 18.257 ( -5.946 0.295 -17.979) 18.939 18.396 ( -0.551 -2.105 -19.254) 19.377 19.646 ( 3.236 2.812 4.885) 6.499 19.677 ( 0.978 1.112 3.852) 4.127 20.069 ( -1.879 3.715 11.499) 12.229 20.144 ( -3.131 4.077 8.473) 9.911 20.983 ( 3.800 -0.956 19.713) 20.099 21.255 ( -5.573 -4.565 10.976) 13.129 21.499 ( -1.393 -4.666 12.056) 13.003 21.645 ( -12.596 -6.707 16.415) 21.750 ======================= Grid point 108 (40/80) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -9.457 13.502 8.374) 18.490 2.619 ( 9.457 13.502 8.374) 18.490 2.806 ( -17.720 7.174 3.939) 19.518 2.806 ( 17.720 7.174 3.939) 19.518 3.093 ( -2.070 -2.319 8.047) 8.626 3.093 ( 2.070 -2.319 8.047) 8.626 3.296 ( -7.294 2.263 1.786) 7.843 3.296 ( 7.294 2.263 1.786) 7.843 3.578 ( -1.925 0.747 8.309) 8.561 3.578 ( 1.925 0.747 8.309) 8.561 3.930 ( -3.861 -2.061 1.787) 4.727 3.930 ( 3.861 -2.061 1.787) 4.727 3.988 ( -1.580 5.401 6.453) 8.562 3.988 ( 1.580 5.401 6.453) 8.562 4.088 ( -3.887 0.712 8.483) 9.358 4.088 ( 3.887 0.712 8.483) 9.358 4.352 ( -7.617 6.347 11.778) 15.396 4.352 ( 7.617 6.347 11.778) 15.396 4.570 ( -3.221 -2.822 -4.060) 5.901 4.570 ( 3.221 -2.822 -4.060) 5.901 4.899 ( -6.444 -0.112 3.567) 7.367 4.899 ( 6.444 -0.112 3.567) 7.367 4.939 ( -2.669 -4.351 -0.786) 5.164 4.939 ( 2.669 -4.351 -0.786) 5.164 5.185 ( -5.601 0.348 1.620) 5.841 5.185 ( 5.601 0.348 1.620) 5.841 5.559 ( -3.352 -0.128 6.712) 7.504 5.559 ( 3.352 -0.128 6.712) 7.504 5.720 ( -1.768 -2.482 5.286) 6.101 5.720 ( 1.768 -2.482 5.286) 6.101 5.769 ( -1.106 2.965 2.479) 4.020 5.769 ( 1.106 2.965 2.479) 4.020 6.091 ( -0.286 2.072 -3.674) 4.228 6.091 ( 0.286 2.072 -3.674) 4.228 6.164 ( -4.146 0.895 -4.111) 5.906 6.164 ( 4.146 0.895 -4.111) 5.906 6.485 ( -2.124 3.981 3.098) 5.473 6.485 ( 2.124 3.981 3.098) 5.473 6.991 ( -3.851 1.194 1.614) 4.343 6.991 ( 3.851 1.194 1.614) 4.343 7.193 ( -3.928 -1.387 6.884) 8.046 7.193 ( 3.928 -1.387 6.884) 8.046 7.356 ( -2.498 -2.348 5.005) 6.066 7.356 ( 2.498 -2.348 5.005) 6.066 7.612 ( -3.134 0.775 9.296) 9.841 7.612 ( 3.134 0.775 9.296) 9.841 7.907 ( -1.965 0.347 -7.179) 7.451 7.907 ( 1.965 0.347 -7.179) 7.451 8.241 ( -3.488 -5.540 -1.739) 6.774 8.241 ( 3.488 -5.540 -1.739) 6.774 8.400 ( -2.548 -2.432 -0.487) 3.555 8.400 ( 2.548 -2.432 -0.487) 3.555 8.906 ( -4.924 -2.296 7.424) 9.199 8.906 ( 4.924 -2.296 7.424) 9.199 9.414 ( -2.511 -2.189 -0.905) 3.452 9.414 ( 2.511 -2.189 -0.905) 3.452 9.653 ( -1.356 1.041 -5.306) 5.575 9.653 ( 1.356 1.041 -5.306) 5.575 9.968 ( -2.541 2.482 -3.584) 5.046 9.968 ( 2.541 2.482 -3.584) 5.046 10.091 ( -5.241 -2.016 -8.058) 9.821 10.091 ( 5.241 -2.016 -8.058) 9.821 10.467 ( -0.651 1.147 -3.767) 3.991 10.467 ( 0.651 1.147 -3.767) 3.991 10.537 ( -8.172 1.363 0.300) 8.291 10.537 ( 8.172 1.363 0.300) 8.291 10.952 ( -4.673 -4.343 -5.399) 8.358 10.952 ( 4.673 -4.343 -5.399) 8.358 11.067 ( -8.027 -2.023 -0.037) 8.279 11.067 ( 8.027 -2.023 -0.037) 8.279 11.443 ( -3.026 -1.090 4.273) 5.348 11.443 ( 3.026 -1.090 4.273) 5.348 12.083 ( -1.861 0.977 -10.674) 10.879 12.083 ( 1.861 0.977 -10.674) 10.879 12.288 ( -1.876 -0.374 -16.244) 16.356 12.288 ( 1.876 -0.374 -16.244) 16.356 12.756 ( -2.588 -2.549 -1.192) 3.823 12.756 ( 2.588 -2.549 -1.192) 3.823 13.032 ( -0.773 2.748 -4.116) 5.010 13.032 ( 0.773 2.748 -4.116) 5.010 13.956 ( -1.373 -0.721 -2.100) 2.610 13.956 ( 1.373 -0.721 -2.100) 2.610 14.127 ( -2.106 1.569 0.830) 2.754 14.127 ( 2.106 1.569 0.830) 2.754 14.367 ( -2.678 -1.923 2.360) 4.054 14.367 ( 2.678 -1.923 2.360) 4.054 14.594 ( -0.427 4.781 5.597) 7.374 14.594 ( 0.427 4.781 5.597) 7.374 14.881 ( -1.710 0.971 1.883) 2.723 14.881 ( 1.710 0.971 1.883) 2.723 15.286 ( -3.975 4.793 2.194) 6.602 15.286 ( 3.975 4.793 2.194) 6.602 15.510 ( -3.288 1.016 0.429) 3.468 15.510 ( 3.288 1.016 0.429) 3.468 16.042 ( -1.943 -2.571 7.750) 8.393 16.042 ( 1.943 -2.571 7.750) 8.393 16.084 ( -4.742 0.706 0.981) 4.894 16.084 ( 4.742 0.706 0.981) 4.894 16.259 ( -3.110 -3.231 1.116) 4.621 16.259 ( 3.110 -3.231 1.116) 4.621 16.507 ( -2.792 6.910 1.651) 7.633 16.507 ( 2.792 6.910 1.651) 7.633 17.057 ( -3.190 -1.215 -7.711) 8.433 17.057 ( 3.190 -1.215 -7.711) 8.433 17.259 ( -4.626 -3.950 -6.517) 8.915 17.259 ( 4.626 -3.950 -6.517) 8.915 17.459 ( -5.962 0.017 -7.935) 9.925 17.459 ( 5.962 0.017 -7.935) 9.925 18.030 ( -11.030 0.730 -14.375) 18.134 18.030 ( 11.030 0.730 -14.375) 18.134 18.333 ( -5.702 -2.474 -16.770) 17.885 18.333 ( 5.702 -2.474 -16.770) 17.885 19.688 ( -0.450 1.872 4.831) 5.201 19.688 ( 0.450 1.872 4.831) 5.201 20.075 ( -2.516 3.511 9.922) 10.821 20.075 ( 2.516 3.511 9.922) 10.821 21.101 ( -7.365 -3.561 17.950) 19.726 21.101 ( 7.365 -3.561 17.950) 19.726 21.502 ( -2.364 -3.608 12.780) 13.488 21.502 ( 2.364 -3.608 12.780) 13.488 ======================= Grid point 112 (41/80) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.000 25.998 20.129) 32.879 2.195 ( 0.000 21.325 28.138) 35.305 2.943 ( 0.000 -6.636 10.144) 12.121 3.068 ( 0.000 -16.287 12.948) 20.807 3.139 ( 0.000 -7.749 19.420) 20.909 3.157 ( 0.000 -0.244 15.008) 15.010 3.326 ( 0.000 12.566 26.167) 29.028 3.494 ( 0.000 3.782 -9.157) 9.907 3.571 ( 0.000 11.424 6.236) 13.015 3.642 ( 0.000 11.150 2.939) 11.531 3.697 ( 0.000 2.104 4.309) 4.795 3.980 ( 0.000 1.746 -1.348) 2.206 4.094 ( 0.000 -1.529 -1.062) 1.862 4.231 ( 0.000 -4.050 -7.864) 8.845 4.258 ( 0.000 -3.281 -3.467) 4.774 4.310 ( 0.000 5.428 2.734) 6.077 4.422 ( 0.000 6.815 -5.209) 8.578 4.533 ( 0.000 4.978 22.883) 23.418 4.537 ( 0.000 -13.734 6.580) 15.229 4.722 ( 0.000 1.442 -2.876) 3.217 4.843 ( 0.000 -0.433 8.379) 8.390 4.930 ( 0.000 0.972 0.666) 1.178 4.932 ( 0.000 -2.598 1.951) 3.249 5.077 ( 0.000 6.320 -3.745) 7.346 5.094 ( 0.000 -13.587 -1.378) 13.657 5.137 ( 0.000 0.156 -1.509) 1.517 5.290 ( 0.000 9.289 4.978) 10.539 5.366 ( 0.000 2.817 10.395) 10.770 5.522 ( 0.000 -3.225 8.734) 9.310 5.638 ( 0.000 6.193 -4.404) 7.599 5.692 ( 0.000 -2.936 3.420) 4.508 5.772 ( 0.000 -0.113 -3.519) 3.520 6.113 ( 0.000 4.835 -8.551) 9.824 6.207 ( 0.000 -0.819 0.139) 0.831 6.357 ( 0.000 4.077 -9.430) 10.273 6.411 ( 0.000 -0.223 -4.925) 4.930 6.479 ( 0.000 -2.663 4.122) 4.908 6.540 ( 0.000 -3.584 8.866) 9.563 6.835 ( 0.000 -4.364 2.434) 4.997 7.022 ( 0.000 1.345 4.269) 4.476 7.167 ( 0.000 -7.444 3.474) 8.215 7.199 ( 0.000 -4.913 0.315) 4.923 7.352 ( 0.000 1.440 12.618) 12.700 7.540 ( 0.000 -7.967 7.006) 10.609 7.705 ( 0.000 3.229 -5.058) 6.001 7.714 ( 0.000 3.251 -7.166) 7.869 7.804 ( 0.000 4.813 -3.199) 5.780 8.047 ( 0.000 -6.505 -4.409) 7.858 8.136 ( 0.000 8.645 -9.092) 12.546 8.393 ( 0.000 5.285 5.100) 7.344 8.563 ( 0.000 -10.486 -3.505) 11.056 8.583 ( 0.000 -2.347 0.623) 2.428 8.976 ( 0.000 9.891 16.460) 19.203 9.118 ( 0.000 5.547 -5.257) 7.642 9.152 ( 0.000 3.564 2.332) 4.260 9.361 ( 0.000 -1.082 -0.968) 1.452 9.501 ( 0.000 -7.645 9.400) 12.116 9.512 ( 0.000 -0.290 0.113) 0.311 9.826 ( 0.000 -4.017 -0.383) 4.035 9.835 ( 0.000 -6.120 -0.304) 6.127 10.080 ( 0.000 0.877 -2.592) 2.736 10.233 ( 0.000 -3.048 3.989) 5.020 10.318 ( 0.000 1.155 -7.105) 7.198 10.360 ( 0.000 -1.121 -4.776) 4.906 10.516 ( 0.000 3.600 -2.353) 4.301 10.589 ( 0.000 3.128 -7.477) 8.105 10.645 ( 0.000 -1.284 0.261) 1.311 10.809 ( 0.000 -6.696 -10.735) 12.652 11.059 ( 0.000 -0.759 1.397) 1.590 11.216 ( 0.000 -6.373 2.284) 6.769 11.599 ( 0.000 3.262 -9.927) 10.449 11.656 ( 0.000 3.756 1.659) 4.106 11.871 ( 0.000 0.495 -9.203) 9.216 11.966 ( 0.000 -6.083 -11.701) 13.188 12.276 ( 0.000 1.541 -11.902) 12.001 12.292 ( 0.000 -0.484 -12.579) 12.588 12.690 ( 0.000 2.741 0.219) 2.750 12.753 ( 0.000 -2.227 0.019) 2.227 12.955 ( 0.000 -3.095 -1.358) 3.379 12.960 ( 0.000 -2.520 -5.553) 6.098 14.049 ( 0.000 1.227 0.789) 1.459 14.071 ( 0.000 2.365 4.872) 5.416 14.132 ( 0.000 -2.619 -0.427) 2.654 14.168 ( 0.000 -1.373 2.387) 2.754 14.416 ( 0.000 4.815 1.611) 5.077 14.440 ( 0.000 3.468 3.025) 4.601 14.494 ( 0.000 2.120 6.493) 6.830 14.627 ( 0.000 -2.483 7.609) 8.004 14.943 ( 0.000 3.327 0.046) 3.327 14.985 ( 0.000 1.707 0.991) 1.974 15.327 ( 0.000 0.143 4.170) 4.172 15.368 ( 0.000 -2.127 2.283) 3.121 15.742 ( 0.000 3.577 3.219) 4.812 15.791 ( 0.000 1.508 2.096) 2.582 15.972 ( 0.000 6.383 6.825) 9.344 15.999 ( 0.000 -2.998 3.371) 4.511 16.014 ( 0.000 -3.857 -2.099) 4.391 16.195 ( 0.000 -0.488 -9.380) 9.392 16.324 ( 0.000 1.332 -11.163) 11.242 16.384 ( 0.000 -6.019 2.150) 6.391 16.657 ( 0.000 4.075 -2.888) 4.995 16.815 ( 0.000 3.203 -5.449) 6.321 16.830 ( 0.000 8.660 -2.208) 8.937 16.892 ( 0.000 5.076 -1.126) 5.199 16.924 ( 0.000 6.873 -10.996) 12.967 17.003 ( 0.000 0.115 -7.428) 7.428 17.170 ( 0.000 5.319 4.410) 6.909 17.569 ( 0.000 -10.020 0.891) 10.060 17.592 ( 0.000 -5.137 -0.590) 5.171 17.643 ( 0.000 -5.885 -2.793) 6.514 18.340 ( 0.000 0.574 -23.904) 23.911 18.400 ( 0.000 -1.678 -24.216) 24.274 19.637 ( 0.000 3.245 3.182) 4.545 19.667 ( 0.000 0.691 3.103) 3.179 20.274 ( 0.000 5.863 14.499) 15.639 20.310 ( 0.000 4.827 10.882) 11.904 20.968 ( 0.000 4.565 16.203) 16.834 21.263 ( 0.000 -5.708 6.928) 8.977 21.437 ( 0.000 -3.986 10.234) 10.983 21.751 ( 0.000 -20.121 10.988) 22.926 ======================= Grid point 113 (42/80) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 7.882 21.115 20.581) 30.521 2.387 ( 14.129 24.103 20.288) 34.528 2.899 ( -1.586 -7.895 7.533) 11.027 3.069 ( -1.728 -6.690 11.974) 13.825 3.136 ( -0.769 -5.281 16.624) 17.460 3.284 ( 10.302 -11.543 11.715) 19.407 3.392 ( 3.185 7.361 10.585) 13.280 3.499 ( -0.510 1.619 -5.281) 5.547 3.575 ( 0.634 8.251 2.876) 8.761 3.636 ( -0.760 9.458 7.926) 12.363 3.706 ( 4.303 12.538 15.579) 20.455 3.977 ( -0.274 2.675 -1.545) 3.102 4.085 ( -1.285 -1.634 1.968) 2.863 4.107 ( -9.781 0.851 -7.450) 12.325 4.207 ( -4.006 -0.889 -0.675) 4.158 4.313 ( -0.648 6.100 3.931) 7.286 4.373 ( -7.105 3.782 15.041) 17.059 4.425 ( -1.581 3.083 -4.226) 5.465 4.646 ( 3.081 -11.951 9.382) 15.502 4.692 ( -4.847 -0.595 3.124) 5.797 4.734 ( -1.525 -1.812 1.378) 2.740 4.914 ( -2.153 -3.534 -0.465) 4.164 4.956 ( -5.866 4.509 -2.879) 7.939 5.029 ( 3.339 1.753 3.130) 4.901 5.110 ( -0.846 -0.033 2.151) 2.312 5.177 ( 4.510 -5.752 0.413) 7.321 5.291 ( -0.073 5.582 5.659) 7.950 5.468 ( 5.993 0.119 6.177) 8.607 5.508 ( 3.049 -0.842 7.324) 7.977 5.694 ( 0.823 -3.178 3.165) 4.561 5.731 ( 5.031 4.959 -1.206) 7.167 5.831 ( 4.809 0.905 -1.265) 5.054 6.129 ( 0.426 3.546 -5.888) 6.886 6.218 ( 0.806 -1.005 -3.129) 3.384 6.245 ( -5.983 1.396 -8.799) 10.731 6.358 ( -6.288 -1.820 -2.629) 7.054 6.476 ( -0.324 3.220 3.612) 4.850 6.565 ( 1.838 -2.105 7.606) 8.103 6.858 ( 2.441 -2.227 3.857) 5.079 7.043 ( -0.229 1.419 3.389) 3.681 7.129 ( -1.577 -6.143 3.992) 7.494 7.229 ( 0.692 -2.432 0.104) 2.531 7.353 ( 0.761 -0.855 11.771) 11.826 7.531 ( -1.387 -8.400 6.670) 10.815 7.675 ( -3.225 2.496 -3.108) 5.128 7.720 ( -0.635 1.619 -4.633) 4.949 7.786 ( -0.746 3.288 -5.052) 6.073 7.947 ( -4.835 2.137 -7.329) 9.036 8.160 ( -0.204 -1.331 -7.020) 7.148 8.336 ( -5.059 2.832 2.518) 6.321 8.464 ( -5.219 -1.244 2.003) 5.727 8.570 ( -1.777 -6.802 2.792) 7.564 8.851 ( -10.488 3.980 10.867) 15.618 9.090 ( 0.037 9.496 2.018) 9.708 9.293 ( 1.759 -9.320 2.536) 9.817 9.410 ( 8.007 3.360 -0.224) 8.686 9.451 ( 0.699 -2.665 1.518) 3.146 9.589 ( 4.194 2.751 -0.128) 5.017 9.790 ( -1.317 -2.264 2.804) 3.837 9.921 ( 4.737 -8.343 -2.803) 9.995 10.121 ( 2.259 1.160 -4.757) 5.392 10.261 ( -3.066 -1.871 -3.004) 4.683 10.324 ( 3.951 -0.150 -0.484) 3.983 10.337 ( 1.218 1.272 -5.435) 5.713 10.508 ( -0.291 4.437 -2.800) 5.255 10.609 ( 0.533 -3.128 -3.504) 4.727 10.659 ( 3.115 0.008 -3.243) 4.496 10.807 ( -0.779 -5.546 -10.800) 12.166 11.049 ( -0.627 -0.651 2.595) 2.747 11.207 ( -1.087 -5.737 1.979) 6.165 11.585 ( -6.140 3.185 1.221) 7.024 11.627 ( -0.529 0.911 -7.273) 7.349 11.892 ( 3.713 0.569 -10.740) 11.378 12.000 ( 2.994 -4.508 -11.896) 13.069 12.256 ( -0.598 2.186 -13.218) 13.411 12.309 ( 0.564 0.207 -12.800) 12.815 12.679 ( -0.440 0.671 -0.447) 0.919 12.753 ( -0.573 -2.857 -1.355) 3.214 12.972 ( 2.845 -0.543 -2.681) 3.947 13.015 ( 3.254 -1.564 -3.827) 5.262 14.025 ( -3.486 1.183 1.427) 3.949 14.045 ( -1.347 1.447 3.096) 3.673 14.132 ( -1.510 -1.397 1.327) 2.448 14.166 ( 1.891 -1.300 2.225) 3.196 14.343 ( -3.012 3.810 0.259) 4.864 14.440 ( -2.624 -0.595 0.973) 2.862 14.551 ( 4.954 4.630 6.908) 9.680 14.653 ( 1.603 0.710 7.584) 7.784 14.935 ( -0.695 2.123 0.142) 2.238 14.970 ( -1.359 1.693 1.787) 2.812 15.322 ( -0.501 1.023 3.889) 4.053 15.382 ( 1.576 -1.767 2.761) 3.637 15.661 ( -6.294 5.837 1.930) 8.798 15.765 ( -3.384 1.609 1.267) 3.955 15.947 ( -0.479 3.503 3.935) 5.290 15.969 ( -1.381 -1.558 4.032) 4.538 16.027 ( 0.825 -3.995 -1.005) 4.202 16.139 ( -5.863 -2.375 3.238) 7.107 16.278 ( 1.109 2.377 -5.038) 5.680 16.477 ( -1.052 -5.563 -9.390) 10.965 16.599 ( -0.507 5.599 0.640) 5.658 16.751 ( -3.026 0.557 -1.093) 3.266 16.800 ( 0.277 9.773 -3.183) 10.282 16.941 ( 2.724 6.826 -3.837) 8.291 17.060 ( 6.765 2.676 -9.768) 12.180 17.104 ( 10.109 -0.415 -7.905) 12.840 17.287 ( 5.319 -3.242 -1.605) 6.433 17.417 ( -4.784 -7.749 -2.098) 9.345 17.701 ( 6.729 -0.081 -5.412) 8.636 17.803 ( 10.894 -5.653 -0.633) 12.290 18.337 ( -0.939 -0.316 -22.410) 22.432 18.373 ( -2.120 -1.402 -23.103) 23.242 19.655 ( 1.708 2.891 3.716) 5.008 19.677 ( 0.921 0.925 3.553) 3.785 20.236 ( -3.234 5.794 14.133) 15.613 20.292 ( -1.922 4.279 10.890) 11.857 20.969 ( 0.154 3.669 15.805) 16.225 21.232 ( -3.003 -6.301 7.981) 10.603 21.423 ( -1.168 -4.022 10.450) 11.258 21.651 ( -8.075 -15.210 12.625) 21.353 ======================= Grid point 114 (43/80) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 16.573 13.368 12.456) 24.668 2.727 ( 16.818 23.305 11.131) 30.820 2.898 ( 0.883 -4.782 1.949) 5.239 3.028 ( -1.630 -4.162 9.053) 10.096 3.095 ( -2.609 -2.214 9.812) 10.391 3.350 ( -5.309 5.621 0.279) 7.737 3.413 ( -3.349 4.876 1.198) 6.035 3.519 ( -2.088 4.262 1.672) 5.032 3.566 ( 3.561 -4.664 7.596) 9.598 3.641 ( 4.880 -1.155 10.113) 11.288 3.742 ( -13.032 6.408 3.617) 14.966 3.965 ( -0.445 1.417 0.706) 1.645 3.993 ( 7.983 7.715 15.096) 18.739 4.091 ( -1.449 -3.614 3.415) 5.179 4.147 ( 0.553 7.971 5.106) 9.483 4.203 ( -5.571 4.795 11.794) 13.897 4.344 ( 1.834 0.779 0.077) 1.994 4.411 ( 1.175 4.973 2.249) 5.583 4.550 ( -5.276 -5.520 2.747) 8.115 4.640 ( -5.741 -5.459 7.671) 11.028 4.759 ( 2.568 -1.310 0.147) 2.887 4.839 ( -1.589 -5.909 -1.512) 6.303 4.903 ( -0.430 5.087 -3.180) 6.015 5.054 ( -1.665 4.737 2.345) 5.542 5.102 ( 1.371 -0.780 2.316) 2.802 5.249 ( 1.381 -2.095 4.247) 4.933 5.372 ( 7.040 -3.229 7.421) 10.726 5.532 ( 0.809 -6.468 7.855) 10.207 5.633 ( 5.589 2.394 5.672) 8.316 5.707 ( 1.555 0.350 3.364) 3.722 5.841 ( 2.317 4.783 0.479) 5.337 5.882 ( -0.370 2.852 0.923) 3.020 6.115 ( -0.044 0.883 -4.238) 4.329 6.161 ( -1.674 1.535 -3.558) 4.221 6.207 ( -6.106 0.004 -1.576) 6.306 6.228 ( -1.772 -1.009 -5.859) 6.204 6.506 ( 3.865 5.971 1.940) 7.373 6.592 ( 0.713 2.331 6.861) 7.282 6.931 ( 4.104 -0.407 3.205) 5.223 7.019 ( -0.455 -1.164 3.924) 4.118 7.115 ( 0.641 -2.900 4.421) 5.326 7.205 ( -3.266 -2.123 0.105) 3.897 7.335 ( -3.664 -4.212 8.657) 10.301 7.406 ( -9.174 -3.185 4.339) 10.636 7.634 ( -0.906 0.561 2.052) 2.313 7.684 ( -1.910 0.235 1.100) 2.217 7.805 ( 3.573 0.814 -7.731) 8.556 7.928 ( 1.979 1.770 -9.818) 10.171 8.130 ( -1.823 -5.269 -4.664) 7.269 8.215 ( -5.868 -0.985 -1.751) 6.202 8.385 ( -1.680 0.908 6.701) 6.968 8.532 ( -4.385 2.684 6.320) 8.147 8.671 ( -2.021 -5.633 9.023) 10.827 8.989 ( -9.202 -4.536 9.632) 14.072 9.312 ( 2.918 -1.519 1.369) 3.563 9.463 ( -0.177 -3.076 -0.024) 3.081 9.627 ( 4.554 5.923 -3.685) 8.331 9.670 ( 4.600 3.780 -2.489) 6.453 9.805 ( 4.761 -2.987 1.540) 5.828 9.996 ( 2.050 -7.498 -5.701) 9.639 10.111 ( -2.892 2.750 -5.526) 6.817 10.163 ( -3.534 1.940 -7.247) 8.293 10.424 ( 5.925 2.475 -6.082) 8.844 10.452 ( 5.230 -0.386 2.075) 5.640 10.503 ( 0.016 3.615 -1.698) 3.994 10.625 ( 0.179 -4.959 -2.859) 5.727 10.760 ( 4.366 -4.102 -8.178) 10.137 10.791 ( 2.475 -2.232 -8.695) 9.312 11.024 ( -2.320 -0.865 2.919) 3.828 11.156 ( -4.204 -4.133 1.287) 6.034 11.447 ( -5.239 1.199 2.144) 5.786 11.527 ( -6.973 -1.762 -0.648) 7.221 12.024 ( 6.569 0.868 -12.638) 14.269 12.070 ( 3.055 -1.327 -11.013) 11.506 12.257 ( 0.564 1.917 -15.420) 15.549 12.310 ( -0.501 0.044 -15.745) 15.753 12.681 ( 0.591 -1.127 -1.439) 1.921 12.730 ( -1.358 -3.463 -2.595) 4.535 13.046 ( 3.308 1.947 -2.873) 4.795 13.074 ( 2.043 0.992 -4.067) 4.659 13.945 ( -2.997 -0.298 2.452) 3.884 13.985 ( -3.894 -1.477 1.239) 4.345 14.129 ( 1.681 2.323 1.277) 3.139 14.214 ( 1.130 0.382 0.416) 1.263 14.300 ( -0.518 1.614 -0.233) 1.711 14.386 ( -2.356 -1.551 -0.221) 2.829 14.643 ( 3.301 4.255 7.664) 9.367 14.678 ( 0.877 3.244 7.177) 7.925 14.911 ( -1.420 1.284 0.854) 2.096 14.935 ( -1.814 0.591 1.611) 2.497 15.325 ( 1.490 3.758 3.847) 5.581 15.436 ( 3.277 -1.516 3.074) 4.742 15.524 ( -6.136 6.850 2.236) 9.464 15.654 ( -6.211 1.884 1.540) 6.671 15.955 ( 0.445 -1.464 8.360) 8.499 15.990 ( 3.571 0.802 -0.679) 3.722 16.035 ( -1.492 -3.817 6.007) 7.272 16.074 ( 1.696 -1.513 1.734) 2.859 16.260 ( -3.151 0.300 -3.589) 4.785 16.340 ( -8.722 -1.876 -4.125) 9.829 16.611 ( 1.710 6.929 2.861) 7.689 16.713 ( -2.053 5.871 1.569) 6.415 16.910 ( 7.575 0.395 -8.148) 11.132 17.011 ( 3.736 3.547 -5.539) 7.565 17.143 ( 0.321 -4.056 -7.110) 8.192 17.236 ( -1.730 -5.910 -9.171) 11.047 17.313 ( 5.786 -0.281 -4.552) 7.367 17.451 ( 2.741 -5.547 -7.438) 9.675 17.875 ( 9.218 4.455 -7.661) 12.787 18.047 ( 10.876 -3.962 -8.811) 14.547 18.259 ( -5.660 0.341 -18.874) 19.707 18.341 ( -1.840 -3.019 -19.379) 19.698 19.700 ( 2.077 1.955 4.807) 5.589 19.709 ( 2.035 1.795 4.834) 5.544 20.162 ( -2.947 4.873 13.301) 14.469 20.228 ( -3.992 3.146 11.055) 12.167 20.982 ( 1.309 1.306 14.898) 15.013 21.139 ( -5.481 -5.966 11.172) 13.800 21.400 ( -0.579 -3.997 10.994) 11.712 21.490 ( -5.900 -7.582 13.158) 16.292 ======================= Grid point 115 (44/80) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -12.004 4.386 2.829) 13.090 2.784 ( 12.004 4.386 2.829) 13.090 2.993 ( -3.790 -1.835 4.039) 5.835 2.993 ( 3.790 -1.835 4.039) 5.835 3.175 ( -12.593 18.349 6.820) 23.276 3.175 ( 12.593 18.349 6.820) 23.276 3.369 ( -4.806 5.549 4.056) 8.387 3.369 ( 4.806 5.549 4.056) 8.387 3.588 ( -0.524 0.172 5.843) 5.869 3.588 ( 0.524 0.172 5.843) 5.869 3.859 ( -9.737 -5.190 9.103) 14.304 3.859 ( 9.737 -5.190 9.103) 14.304 4.069 ( -2.437 -1.313 2.979) 4.066 4.069 ( 2.437 -1.313 2.979) 4.066 4.160 ( -0.614 8.228 7.395) 11.080 4.160 ( 0.614 8.228 7.395) 11.080 4.422 ( -5.204 -2.912 3.141) 6.740 4.422 ( 5.204 -2.912 3.141) 6.740 4.513 ( -4.928 -0.224 4.583) 6.733 4.513 ( 4.928 -0.224 4.583) 6.733 4.817 ( -1.814 -3.338 0.127) 3.801 4.817 ( 1.814 -3.338 0.127) 3.801 4.957 ( -5.600 2.302 -0.209) 6.058 4.957 ( 5.600 2.302 -0.209) 6.058 5.202 ( -5.910 1.595 4.456) 7.572 5.202 ( 5.910 1.595 4.456) 7.572 5.498 ( -4.143 -5.137 8.858) 11.046 5.498 ( 4.143 -5.137 8.858) 11.046 5.714 ( -2.534 2.166 4.241) 5.394 5.714 ( 2.534 2.166 4.241) 5.394 5.847 ( -2.255 3.568 1.908) 4.632 5.847 ( 2.255 3.568 1.908) 4.632 6.133 ( -1.153 1.616 -3.357) 3.901 6.133 ( 1.153 1.616 -3.357) 3.901 6.176 ( -2.301 0.213 -2.236) 3.216 6.176 ( 2.301 0.213 -2.236) 3.216 6.585 ( -2.134 5.403 3.243) 6.653 6.585 ( 2.134 5.403 3.243) 6.653 7.005 ( -2.473 -0.972 1.642) 3.124 7.005 ( 2.473 -0.972 1.642) 3.124 7.156 ( -1.064 -2.025 3.037) 3.802 7.156 ( 1.064 -2.025 3.037) 3.802 7.262 ( -1.557 -4.667 6.045) 7.794 7.262 ( 1.557 -4.667 6.045) 7.794 7.640 ( -1.585 -0.304 2.318) 2.825 7.640 ( 1.585 -0.304 2.318) 2.825 7.917 ( -4.449 1.700 -8.508) 9.751 7.917 ( 4.449 1.700 -8.508) 9.751 8.123 ( -2.050 -4.704 -1.912) 5.476 8.123 ( 2.050 -4.704 -1.912) 5.476 8.410 ( -4.194 3.736 6.310) 8.448 8.410 ( 4.194 3.736 6.310) 8.448 8.779 ( -9.207 -9.678 10.037) 16.709 8.779 ( 9.207 -9.678 10.037) 16.709 9.400 ( -4.628 0.794 1.047) 4.811 9.400 ( 4.628 0.794 1.047) 4.811 9.686 ( -1.749 1.886 -1.815) 3.148 9.686 ( 1.749 1.886 -1.815) 3.148 9.958 ( -6.211 -3.067 -5.320) 8.734 9.958 ( 6.211 -3.067 -5.320) 8.734 10.100 ( -2.372 2.301 -7.164) 7.889 10.100 ( 2.372 2.301 -7.164) 7.889 10.497 ( -0.707 1.743 -0.988) 2.125 10.497 ( 0.707 1.743 -0.988) 2.125 10.564 ( -5.400 1.035 -3.795) 6.680 10.564 ( 5.400 1.035 -3.795) 6.680 10.846 ( -4.023 -5.250 -10.180) 12.140 10.846 ( 4.023 -5.250 -10.180) 12.140 11.027 ( -6.278 -1.634 2.813) 7.070 11.027 ( 6.278 -1.634 2.813) 7.070 11.416 ( -2.427 -1.257 3.353) 4.325 11.416 ( 2.427 -1.257 3.353) 4.325 12.103 ( -0.583 0.814 -10.023) 10.073 12.103 ( 0.583 0.814 -10.023) 10.073 12.284 ( -1.822 -0.018 -18.363) 18.453 12.284 ( 1.822 -0.018 -18.363) 18.453 12.701 ( -1.269 -2.392 -2.254) 3.523 12.701 ( 1.269 -2.392 -2.254) 3.523 13.090 ( -0.674 2.495 -3.733) 4.540 13.090 ( 0.674 2.495 -3.733) 4.540 13.924 ( -1.175 -1.856 1.662) 2.755 13.924 ( 1.175 -1.856 1.662) 2.755 14.182 ( -2.862 3.252 -0.338) 4.345 14.182 ( 2.862 3.252 -0.338) 4.345 14.335 ( -2.585 -1.353 0.125) 2.920 14.335 ( 2.585 -1.353 0.125) 2.920 14.684 ( -0.724 3.598 7.931) 8.739 14.684 ( 0.724 3.598 7.931) 8.739 14.902 ( -0.900 0.870 0.800) 1.485 14.902 ( 0.900 0.870 0.800) 1.485 15.396 ( -4.922 4.972 3.950) 8.034 15.396 ( 4.922 4.972 3.950) 8.034 15.532 ( -5.043 1.051 2.061) 5.548 15.532 ( 5.043 1.051 2.061) 5.548 15.981 ( -1.769 -2.917 8.412) 9.078 15.981 ( 1.769 -2.917 8.412) 9.078 16.104 ( -3.021 1.005 -1.915) 3.715 16.104 ( 3.021 1.005 -1.915) 3.715 16.200 ( -1.434 -2.282 -0.691) 2.782 16.200 ( 1.434 -2.282 -0.691) 2.782 16.662 ( -2.642 7.474 2.789) 8.403 16.662 ( 2.642 7.474 2.789) 8.403 17.031 ( -3.356 -1.044 -8.620) 9.309 17.031 ( 3.356 -1.044 -8.620) 9.309 17.166 ( -3.739 -4.802 -6.537) 8.931 17.166 ( 3.739 -4.802 -6.537) 8.931 17.436 ( -4.074 -1.952 -7.610) 8.850 17.436 ( 4.074 -1.952 -7.610) 8.850 18.071 ( -8.436 3.297 -13.245) 16.046 18.071 ( 8.436 3.297 -13.245) 16.046 18.263 ( -5.733 -4.245 -15.109) 16.708 18.263 ( 5.733 -4.245 -15.109) 16.708 19.731 ( -0.461 2.015 5.565) 5.936 19.731 ( 0.461 2.015 5.565) 5.936 20.151 ( -2.232 3.159 12.004) 12.612 20.151 ( 2.232 3.159 12.004) 12.612 21.034 ( -3.844 -2.245 13.710) 14.414 21.034 ( 3.844 -2.245 13.710) 14.414 21.411 ( -1.881 -4.630 11.897) 12.904 21.411 ( 1.881 -4.630 11.897) 12.904 ======================= Grid point 119 (45/80) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.000 -2.767 20.026) 20.217 2.567 ( 0.000 2.767 20.026) 20.217 2.724 ( 0.000 -3.384 14.630) 15.016 2.724 ( 0.000 3.384 14.630) 15.016 3.078 ( 0.000 -1.573 16.511) 16.585 3.078 ( 0.000 1.573 16.511) 16.585 3.506 ( 0.000 -2.598 -2.722) 3.763 3.506 ( 0.000 2.598 -2.722) 3.763 3.742 ( 0.000 -1.174 3.234) 3.440 3.742 ( 0.000 1.174 3.234) 3.440 4.005 ( 0.000 -4.775 0.343) 4.787 4.005 ( 0.000 4.775 0.343) 4.787 4.027 ( 0.000 -12.583 7.982) 14.901 4.027 ( 0.000 12.583 7.982) 14.901 4.295 ( 0.000 -6.197 0.615) 6.227 4.295 ( 0.000 6.197 0.615) 6.227 4.416 ( 0.000 -4.317 -3.559) 5.595 4.416 ( 0.000 4.317 -3.559) 5.595 4.720 ( 0.000 -12.033 15.624) 19.720 4.720 ( 0.000 12.033 15.624) 19.720 4.795 ( 0.000 -4.996 0.455) 5.017 4.795 ( 0.000 4.996 0.455) 5.017 4.959 ( 0.000 -2.039 -0.943) 2.247 4.959 ( 0.000 2.039 -0.943) 2.247 5.145 ( 0.000 -0.830 0.512) 0.976 5.145 ( 0.000 0.830 0.512) 0.976 5.432 ( 0.000 -3.330 9.082) 9.673 5.432 ( 0.000 3.330 9.082) 9.673 5.549 ( 0.000 -10.981 4.194) 11.755 5.549 ( 0.000 10.981 4.194) 11.755 5.731 ( 0.000 -3.201 -2.952) 4.354 5.731 ( 0.000 3.201 -2.952) 4.354 6.184 ( 0.000 -1.952 -3.435) 3.951 6.184 ( 0.000 1.952 -3.435) 3.951 6.411 ( 0.000 -0.853 -5.765) 5.828 6.411 ( 0.000 0.853 -5.765) 5.828 6.474 ( 0.000 -3.066 4.499) 5.444 6.474 ( 0.000 3.066 4.499) 5.444 6.906 ( 0.000 -11.303 -1.524) 11.405 6.906 ( 0.000 11.303 -1.524) 11.405 7.108 ( 0.000 -3.523 4.088) 5.397 7.108 ( 0.000 3.523 4.088) 5.397 7.414 ( 0.000 -4.587 9.163) 10.247 7.414 ( 0.000 4.587 9.163) 10.247 7.748 ( 0.000 -0.290 -8.360) 8.365 7.748 ( 0.000 0.290 -8.360) 8.365 7.917 ( 0.000 -6.219 -2.846) 6.839 7.917 ( 0.000 6.219 -2.846) 6.839 8.326 ( 0.000 -10.157 -3.891) 10.876 8.326 ( 0.000 10.157 -3.891) 10.876 8.510 ( 0.000 -4.319 3.752) 5.721 8.510 ( 0.000 4.319 3.752) 5.721 9.130 ( 0.000 -5.172 6.297) 8.148 9.130 ( 0.000 5.172 6.297) 8.148 9.299 ( 0.000 -10.285 2.775) 10.653 9.299 ( 0.000 10.285 2.775) 10.653 9.453 ( 0.000 -5.844 1.803) 6.116 9.453 ( 0.000 5.844 1.803) 6.116 9.752 ( 0.000 -0.287 0.841) 0.888 9.752 ( 0.000 0.287 0.841) 0.888 10.156 ( 0.000 -4.591 1.767) 4.919 10.156 ( 0.000 4.591 1.767) 4.919 10.335 ( 0.000 -1.016 -5.910) 5.997 10.335 ( 0.000 1.016 -5.910) 5.997 10.574 ( 0.000 -2.296 -2.442) 3.352 10.574 ( 0.000 2.296 -2.442) 3.352 10.694 ( 0.000 -4.355 -8.322) 9.393 10.694 ( 0.000 4.355 -8.322) 9.393 11.103 ( 0.000 -4.453 1.246) 4.624 11.103 ( 0.000 4.453 1.246) 4.624 11.677 ( 0.000 -2.378 -7.258) 7.637 11.677 ( 0.000 2.378 -7.258) 7.637 11.880 ( 0.000 -1.630 -9.403) 9.543 11.880 ( 0.000 1.630 -9.403) 9.543 12.285 ( 0.000 -0.113 -13.611) 13.612 12.285 ( 0.000 0.113 -13.611) 13.612 12.728 ( 0.000 -0.997 0.079) 1.000 12.728 ( 0.000 0.997 0.079) 1.000 12.928 ( 0.000 -0.256 -1.910) 1.927 12.928 ( 0.000 0.256 -1.910) 1.927 14.079 ( 0.000 -1.670 -0.678) 1.802 14.079 ( 0.000 1.670 -0.678) 1.802 14.130 ( 0.000 -2.213 4.312) 4.847 14.130 ( 0.000 2.213 4.312) 4.847 14.476 ( 0.000 -0.840 1.638) 1.841 14.476 ( 0.000 0.840 1.638) 1.841 14.552 ( 0.000 -3.962 8.544) 9.418 14.552 ( 0.000 3.962 8.544) 9.418 14.994 ( 0.000 -1.144 0.990) 1.513 14.994 ( 0.000 1.144 0.990) 1.513 15.338 ( 0.000 -0.950 3.160) 3.299 15.338 ( 0.000 0.950 3.160) 3.299 15.790 ( 0.000 -1.323 3.224) 3.485 15.790 ( 0.000 1.323 3.224) 3.485 15.969 ( 0.000 -0.336 1.261) 1.305 15.969 ( 0.000 0.336 1.261) 1.305 16.130 ( 0.000 -7.406 0.885) 7.459 16.130 ( 0.000 7.406 0.885) 7.459 16.309 ( 0.000 -0.538 -8.692) 8.708 16.309 ( 0.000 0.538 -8.692) 8.708 16.774 ( 0.000 -5.575 -2.296) 6.030 16.774 ( 0.000 5.575 -2.296) 6.030 16.952 ( 0.000 -0.880 -9.488) 9.529 16.952 ( 0.000 0.880 -9.488) 9.529 16.993 ( 0.000 -0.390 -0.095) 0.401 16.993 ( 0.000 0.390 -0.095) 0.401 17.348 ( 0.000 -10.943 2.341) 11.191 17.348 ( 0.000 10.943 2.341) 11.191 17.551 ( 0.000 -1.958 -4.048) 4.496 17.551 ( 0.000 1.958 -4.048) 4.496 18.364 ( 0.000 -1.676 -24.591) 24.648 18.364 ( 0.000 1.676 -24.591) 24.648 19.673 ( 0.000 -0.460 3.414) 3.445 19.673 ( 0.000 0.460 3.414) 3.445 20.355 ( 0.000 -1.149 14.435) 14.481 20.355 ( 0.000 1.149 14.435) 14.481 21.106 ( 0.000 -8.461 11.310) 14.125 21.106 ( 0.000 8.461 11.310) 14.125 21.467 ( 0.000 -7.593 9.189) 11.920 21.467 ( 0.000 7.593 9.189) 11.920 ======================= Grid point 121 (46/80) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 3.469 -17.422 16.078) 23.960 2.589 ( 3.469 17.422 16.078) 23.960 2.866 ( 10.633 -17.457 12.558) 23.990 2.866 ( 10.633 17.457 12.558) 23.990 3.079 ( 0.910 -2.203 15.739) 15.919 3.079 ( 0.910 2.203 15.739) 15.919 3.486 ( -1.882 -2.169 -3.971) 4.901 3.486 ( -1.882 2.169 -3.971) 4.901 3.714 ( -1.968 -1.111 5.437) 5.888 3.714 ( -1.968 1.111 5.437) 5.888 4.007 ( -0.538 -0.883 -2.312) 2.533 4.007 ( -0.538 0.883 -2.312) 2.533 4.051 ( -0.171 -8.155 2.588) 8.557 4.051 ( -0.171 8.155 2.588) 8.557 4.298 ( 1.825 -10.326 4.805) 11.535 4.298 ( 1.825 10.326 4.805) 11.535 4.419 ( -0.212 -3.922 0.634) 3.979 4.419 ( -0.212 3.922 0.634) 3.979 4.585 ( -9.308 -8.763 16.070) 20.534 4.585 ( -9.308 8.763 16.070) 20.534 4.765 ( -1.226 -4.547 -1.540) 4.955 4.765 ( -1.226 4.547 -1.540) 4.955 5.032 ( 3.489 -1.269 -0.122) 3.715 5.032 ( 3.489 1.269 -0.122) 3.715 5.131 ( -0.656 -1.433 2.878) 3.281 5.131 ( -0.656 1.433 2.878) 3.281 5.425 ( -2.618 -4.854 8.842) 10.421 5.425 ( -2.618 4.854 8.842) 10.421 5.568 ( 4.699 -6.801 2.974) 8.785 5.568 ( 4.699 6.801 2.974) 8.785 5.814 ( 5.787 -2.482 -0.718) 6.337 5.814 ( 5.787 2.482 -0.718) 6.337 6.189 ( 0.288 -1.968 -3.053) 3.644 6.189 ( 0.288 1.968 -3.053) 3.644 6.297 ( -6.869 -3.592 -5.323) 9.403 6.297 ( -6.869 3.592 -5.323) 9.403 6.537 ( 3.120 -1.242 4.294) 5.451 6.537 ( 3.120 1.242 4.294) 5.451 6.916 ( 1.175 -8.624 -0.417) 8.714 6.916 ( 1.175 8.624 -0.417) 8.714 7.143 ( 1.379 -4.501 2.878) 5.518 7.143 ( 1.379 4.501 2.878) 5.518 7.395 ( -1.329 -4.769 8.509) 9.844 7.395 ( -1.329 4.769 8.509) 9.844 7.721 ( -2.849 -1.458 -6.583) 7.320 7.721 ( -2.849 1.458 -6.583) 7.320 7.883 ( -2.115 -5.553 -3.958) 7.140 7.883 ( -2.115 5.553 -3.958) 7.140 8.265 ( -5.058 -8.333 -3.775) 10.453 8.265 ( -5.058 8.333 -3.775) 10.453 8.470 ( -2.645 -3.054 5.369) 6.719 8.470 ( -2.645 3.054 5.369) 6.719 9.028 ( -9.199 -11.171 11.041) 18.202 9.028 ( -9.199 11.171 11.041) 18.202 9.309 ( 1.893 -7.376 -0.855) 7.663 9.309 ( 1.893 7.376 -0.855) 7.663 9.580 ( 9.957 -6.303 -1.727) 11.910 9.580 ( 9.957 6.303 -1.727) 11.910 9.767 ( 0.554 -2.826 2.760) 3.989 9.767 ( 0.554 2.826 2.760) 3.989 10.189 ( 1.262 -4.256 -2.496) 5.092 10.189 ( 1.262 4.256 -2.496) 5.092 10.339 ( 2.177 -0.845 -3.922) 4.565 10.339 ( 2.177 0.845 -3.922) 4.565 10.564 ( -0.587 -1.380 -1.661) 2.238 10.564 ( -0.587 1.380 -1.661) 2.238 10.698 ( 0.565 -4.281 -8.919) 9.909 10.698 ( 0.565 4.281 -8.919) 9.909 11.099 ( -0.458 -4.534 1.623) 4.838 11.099 ( -0.458 4.534 1.623) 4.838 11.632 ( -5.241 -1.083 -4.214) 6.812 11.632 ( -5.241 1.083 -4.214) 6.812 11.921 ( 4.605 -2.762 -11.907) 13.062 11.921 ( 4.605 2.762 -11.907) 13.062 12.294 ( 0.619 -1.498 -14.181) 14.273 12.294 ( 0.619 1.498 -14.181) 14.273 12.703 ( -1.647 -1.979 -0.826) 2.704 12.703 ( -1.647 1.979 -0.826) 2.704 12.985 ( 4.455 -1.325 -2.086) 5.094 12.985 ( 4.455 1.325 -2.086) 5.094 14.050 ( -3.641 -1.008 0.983) 3.904 14.050 ( -3.641 1.008 0.983) 3.904 14.133 ( 1.455 -1.523 3.193) 3.825 14.133 ( 1.455 1.523 3.193) 3.825 14.409 ( -3.555 -2.494 0.601) 4.384 14.409 ( -3.555 2.494 0.601) 4.384 14.629 ( 4.388 -2.719 7.930) 9.463 14.629 ( 4.388 2.719 7.930) 9.463 14.976 ( -1.641 -1.195 1.204) 2.360 14.976 ( -1.641 1.195 1.204) 2.360 15.348 ( 1.086 -1.496 3.436) 3.901 15.348 ( 1.086 1.496 3.436) 3.901 15.751 ( -3.877 -2.751 2.401) 5.325 15.751 ( -3.877 2.751 2.401) 5.325 15.963 ( -0.010 -1.571 0.094) 1.574 15.963 ( -0.010 1.571 0.094) 1.574 16.053 ( -4.213 -5.490 4.673) 8.351 16.053 ( -4.213 5.490 4.673) 8.351 16.360 ( 1.095 -5.384 -8.552) 10.165 16.360 ( 1.095 5.384 -8.552) 10.165 16.708 ( -2.194 -4.330 0.911) 4.939 16.708 ( -2.194 4.330 0.911) 4.939 16.983 ( 1.234 -6.423 -5.854) 8.777 16.983 ( 1.234 6.423 -5.854) 8.777 17.091 ( 5.463 -4.032 -7.838) 10.370 17.091 ( 5.463 4.032 -7.838) 10.370 17.278 ( -1.466 -4.517 -0.138) 4.751 17.278 ( -1.466 4.517 -0.138) 4.751 17.719 ( 11.621 -2.289 -3.439) 12.333 17.719 ( 11.621 2.289 -3.439) 12.333 18.346 ( -1.814 -1.085 -23.376) 23.472 18.346 ( -1.814 1.085 -23.376) 23.472 19.686 ( 1.277 -0.302 3.942) 4.155 19.686 ( 1.277 0.302 3.942) 4.155 20.322 ( -2.989 -1.748 14.260) 14.674 20.322 ( -2.989 1.748 14.260) 14.674 21.083 ( -1.941 -7.278 11.077) 13.395 21.083 ( -1.941 7.278 11.077) 13.395 21.433 ( -2.700 -5.679 10.048) 11.854 21.433 ( -2.700 5.679 10.048) 11.854 ======================= Grid point 123 (47/80) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 7.792 -11.834 8.167) 16.354 2.716 ( 7.792 11.834 8.167) 16.354 2.981 ( -0.666 -1.357 7.108) 7.266 2.981 ( -0.666 1.357 7.108) 7.266 3.244 ( 14.008 -15.883 9.728) 23.305 3.244 ( 14.008 15.883 9.728) 23.305 3.436 ( -1.981 -4.090 0.934) 4.639 3.436 ( -1.981 4.090 0.934) 4.639 3.659 ( -3.382 -2.015 8.978) 9.804 3.659 ( -3.382 2.015 8.978) 9.804 3.926 ( -8.650 -8.918 -0.952) 12.460 3.926 ( -8.650 8.918 -0.952) 12.460 4.023 ( -0.506 -2.100 -3.945) 4.497 4.023 ( -0.506 2.100 -3.945) 4.497 4.326 ( -1.043 -5.858 1.754) 6.203 4.326 ( -1.043 5.858 1.754) 6.203 4.356 ( -3.687 -9.140 12.964) 16.285 4.356 ( -3.687 9.140 12.964) 16.285 4.505 ( 1.009 -4.472 11.127) 12.034 4.505 ( 1.009 4.472 11.127) 12.034 4.766 ( 1.472 -1.768 -1.657) 2.836 4.766 ( 1.472 1.768 -1.657) 2.836 5.033 ( -3.248 -5.554 0.390) 6.446 5.033 ( -3.248 5.554 0.390) 6.446 5.162 ( 4.135 -4.787 5.216) 8.200 5.162 ( 4.135 4.787 5.216) 8.200 5.403 ( 1.233 -5.334 7.581) 9.351 5.403 ( 1.233 5.334 7.581) 9.351 5.686 ( 5.088 -2.328 4.584) 7.233 5.686 ( 5.088 2.328 4.584) 7.233 5.905 ( 1.371 -0.991 1.303) 2.136 5.905 ( 1.371 0.991 1.303) 2.136 6.155 ( -2.864 -2.868 -3.759) 5.528 6.155 ( -2.864 2.868 -3.759) 5.528 6.206 ( -1.439 -1.624 -3.513) 4.129 6.206 ( -1.439 1.624 -3.513) 4.129 6.608 ( 3.780 -2.181 5.501) 7.022 6.608 ( 3.780 2.181 5.501) 7.022 6.949 ( 1.416 -3.512 -1.887) 4.231 6.949 ( 1.416 3.512 -1.887) 4.231 7.128 ( -1.399 -3.381 4.513) 5.809 7.128 ( -1.399 3.381 4.513) 5.809 7.333 ( -5.810 -3.206 6.534) 9.312 7.333 ( -5.810 3.206 6.534) 9.313 7.645 ( -3.083 -2.438 -5.062) 6.408 7.645 ( -3.083 2.438 -5.062) 6.408 7.894 ( 3.585 -5.021 -5.455) 8.235 7.894 ( 3.585 5.021 -5.455) 8.235 8.145 ( -5.833 -4.844 -2.135) 7.877 8.145 ( -5.833 4.844 -2.135) 7.877 8.450 ( 1.576 -5.590 7.752) 9.686 8.450 ( 1.576 5.590 7.752) 9.686 8.791 ( -12.013 -11.700 11.597) 20.389 8.791 ( -12.013 11.700 11.597) 20.389 9.373 ( 3.356 -5.053 -0.576) 6.093 9.373 ( 3.356 5.053 -0.576) 6.093 9.731 ( -0.321 -2.973 3.569) 4.656 9.731 ( -0.321 2.973 3.569) 4.656 9.814 ( 7.464 -8.554 -6.534) 13.099 9.814 ( 7.464 8.554 -6.534) 13.099 10.164 ( -2.493 -1.865 -5.907) 6.677 10.164 ( -2.493 1.865 -5.907) 6.677 10.455 ( 6.584 -0.528 -1.720) 6.825 10.455 ( 6.584 0.528 -1.720) 6.825 10.558 ( 0.204 -1.888 -1.595) 2.480 10.558 ( 0.204 1.888 -1.595) 2.480 10.728 ( 2.498 -1.885 -10.622) 11.073 10.728 ( 2.498 1.885 -10.622) 11.073 11.069 ( -2.808 -4.050 1.863) 5.268 11.069 ( -2.808 4.050 1.863) 5.268 11.484 ( -7.048 -2.230 0.067) 7.393 11.484 ( -7.048 2.230 0.067) 7.393 12.043 ( 5.662 -1.128 -12.043) 13.355 12.043 ( 5.662 1.128 -12.043) 13.355 12.297 ( -0.538 -1.503 -16.378) 16.455 12.297 ( -0.538 1.503 -16.378) 16.455 12.679 ( -0.557 -1.252 -2.070) 2.482 12.679 ( -0.557 1.252 -2.070) 2.482 13.077 ( 3.608 -0.802 -3.075) 4.808 13.077 ( 3.608 0.802 -3.075) 4.808 13.954 ( -4.359 -1.153 2.726) 5.269 13.954 ( -4.359 1.153 2.726) 5.269 14.184 ( 2.858 -2.584 0.794) 3.934 14.184 ( 2.858 2.584 0.794) 3.934 14.348 ( -2.361 -2.297 -0.635) 3.355 14.348 ( -2.361 2.297 -0.635) 3.355 14.701 ( 2.241 -1.038 8.201) 8.565 14.701 ( 2.241 1.038 8.201) 8.565 14.934 ( -1.950 -0.788 0.864) 2.274 14.934 ( -1.950 0.788 0.864) 2.274 15.391 ( 3.076 -2.750 4.046) 5.778 15.391 ( 3.076 2.750 4.046) 5.778 15.638 ( -6.043 -3.651 3.055) 7.693 15.638 ( -6.043 3.651 3.055) 7.693 15.957 ( -0.925 -1.903 5.575) 5.963 15.957 ( -0.925 1.903 5.575) 5.963 16.035 ( 2.895 -2.103 1.035) 3.724 16.035 ( 2.895 2.103 1.035) 3.724 16.294 ( -6.217 -2.505 -5.395) 8.604 16.294 ( -6.217 2.505 -5.395) 8.604 16.725 ( 2.368 -3.709 3.237) 5.463 16.725 ( 2.368 3.709 3.237) 5.463 17.010 ( 1.101 -7.500 -7.231) 10.476 17.010 ( 1.101 7.500 -7.231) 10.476 17.112 ( -1.003 -5.837 -7.743) 9.748 17.112 ( -1.003 5.837 -7.743) 9.748 17.351 ( 5.094 -3.787 -5.965) 8.711 17.351 ( 5.094 3.787 -5.965) 8.711 17.964 ( 10.890 -4.259 -7.037) 13.648 17.964 ( 10.890 4.259 -7.037) 13.648 18.285 ( -4.062 -2.250 -19.689) 20.229 18.285 ( -4.062 2.250 -19.689) 20.229 19.725 ( 2.148 -0.375 5.253) 5.688 19.725 ( 2.148 0.375 5.253) 5.688 20.240 ( -4.277 -2.082 13.869) 14.662 20.240 ( -4.277 2.082 13.869) 14.662 21.038 ( -1.959 -3.932 10.647) 11.518 21.038 ( -1.959 3.932 10.647) 11.518 21.378 ( -2.104 -2.481 11.409) 11.864 21.378 ( -2.104 2.481 11.409) 11.864 ======================= Grid point 125 (48/80) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 0.000 0.000 0.446) 0.446 2.842 ( 0.000 0.000 0.446) 0.446 2.942 ( 0.000 -0.000 6.677) 6.677 2.942 ( 0.000 0.000 6.677) 6.677 3.358 ( 0.000 0.000 2.996) 2.996 3.358 ( 0.000 0.000 2.996) 2.996 3.546 ( 0.000 -0.000 0.771) 0.771 3.546 ( 0.000 0.000 0.771) 0.771 3.647 ( -0.000 0.000 10.209) 10.209 3.647 ( -0.000 0.000 10.209) 10.209 3.689 ( 0.000 -0.000 12.236) 12.236 3.689 ( 0.000 -0.000 12.236) 12.236 4.029 ( 0.000 0.000 -5.833) 5.833 4.029 ( 0.000 0.000 -5.833) 5.833 4.314 ( 0.000 0.000 0.842) 0.842 4.314 ( 0.000 0.000 0.842) 0.842 4.316 ( -0.000 -0.000 12.606) 12.606 4.316 ( 0.000 -0.000 12.606) 12.606 4.514 ( 0.000 0.000 8.820) 8.820 4.514 ( 0.000 0.000 8.820) 8.820 4.794 ( 0.000 0.000 -1.986) 1.986 4.794 ( 0.000 0.000 -1.986) 1.986 4.980 ( 0.000 0.000 0.479) 0.479 4.980 ( 0.000 0.000 0.479) 0.479 5.233 ( 0.000 0.000 4.051) 4.051 5.233 ( 0.000 0.000 4.051) 4.051 5.427 ( 0.000 -0.000 10.619) 10.619 5.427 ( 0.000 0.000 10.619) 10.619 5.750 ( 0.000 0.000 4.717) 4.717 5.750 ( 0.000 0.000 4.717) 4.717 5.886 ( 0.000 0.000 0.994) 0.994 5.886 ( 0.000 0.000 0.994) 0.994 6.146 ( -0.000 -0.000 -5.091) 5.091 6.146 ( 0.000 0.000 -5.091) 5.091 6.179 ( 0.000 0.000 0.782) 0.782 6.179 ( 0.000 0.000 0.782) 0.782 6.662 ( 0.000 0.000 6.105) 6.105 6.662 ( 0.000 0.000 6.105) 6.105 6.958 ( 0.000 0.000 -4.389) 4.389 6.958 ( 0.000 0.000 -4.389) 4.389 7.145 ( -0.000 0.000 5.906) 5.906 7.145 ( 0.000 0.000 5.906) 5.906 7.214 ( 0.000 -0.000 4.895) 4.895 7.214 ( 0.000 0.000 4.895) 4.895 7.613 ( 0.000 0.000 -3.900) 3.900 7.613 ( 0.000 0.000 -3.900) 3.900 7.967 ( -0.000 -0.000 -10.134) 10.134 7.967 ( 0.000 0.000 -10.134) 10.134 8.059 ( 0.000 0.000 2.942) 2.942 8.059 ( 0.000 0.000 2.942) 2.942 8.529 ( -0.000 -0.000 9.254) 9.254 8.529 ( -0.000 0.000 9.254) 9.254 8.592 ( 0.000 -0.000 10.580) 10.580 8.592 ( 0.000 0.000 10.580) 10.580 9.415 ( 0.000 0.000 0.784) 0.784 9.415 ( 0.000 0.000 0.784) 0.784 9.711 ( 0.000 0.000 2.863) 2.863 9.711 ( 0.000 0.000 2.863) 2.863 9.915 ( 0.000 -0.000 -9.221) 9.221 9.915 ( 0.000 0.000 -9.221) 9.221 10.127 ( 0.000 0.000 -5.363) 5.363 10.127 ( 0.000 0.000 -5.363) 5.363 10.522 ( 0.000 -0.000 -0.682) 0.682 10.522 ( -0.000 0.000 -0.682) 0.682 10.575 ( 0.000 0.000 -2.161) 2.161 10.575 ( 0.000 0.000 -2.161) 2.161 10.782 ( 0.000 -0.000 -15.353) 15.353 10.782 ( 0.000 0.000 -15.353) 15.353 11.009 ( 0.000 0.000 4.157) 4.157 11.009 ( 0.000 0.000 4.157) 4.157 11.402 ( 0.000 0.000 2.963) 2.963 11.402 ( 0.000 0.000 2.963) 2.963 12.112 ( 0.000 0.000 -9.702) 9.702 12.112 ( 0.000 0.000 -9.702) 9.702 12.284 ( 0.000 0.000 -19.216) 19.216 12.284 ( 0.000 0.000 -19.216) 19.216 12.675 ( 0.000 0.000 -2.671) 2.671 12.675 ( 0.000 0.000 -2.671) 2.671 13.117 ( 0.000 0.000 -3.673) 3.673 13.117 ( 0.000 0.000 -3.673) 3.673 13.902 ( 0.000 0.000 2.858) 2.858 13.902 ( 0.000 0.000 2.858) 2.858 14.225 ( -0.000 0.000 -0.791) 0.791 14.225 ( 0.000 0.000 -0.791) 0.791 14.316 ( 0.000 -0.000 0.015) 0.015 14.316 ( 0.000 0.000 0.015) 0.015 14.723 ( 0.000 0.000 8.741) 8.741 14.723 ( 0.000 0.000 8.741) 8.741 14.911 ( 0.000 0.000 0.140) 0.140 14.911 ( 0.000 0.000 0.140) 0.140 15.451 ( -0.000 0.000 3.628) 3.628 15.451 ( 0.000 0.000 3.628) 3.628 15.545 ( -0.000 0.000 4.859) 4.859 15.545 ( 0.000 0.000 4.859) 4.859 15.946 ( 0.000 0.000 7.919) 7.919 15.946 ( 0.000 0.000 7.919) 7.919 16.116 ( -0.000 0.000 -2.620) 2.620 16.116 ( 0.000 0.000 -2.620) 2.620 16.175 ( -0.000 0.000 -2.440) 2.440 16.175 ( 0.000 0.000 -2.440) 2.440 16.755 ( 0.000 -0.000 4.687) 4.687 16.755 ( 0.000 0.000 4.687) 4.687 17.022 ( 0.000 0.000 -10.631) 10.631 17.022 ( -0.000 0.000 -10.631) 10.631 17.102 ( 0.000 -0.000 -5.914) 5.914 17.102 ( 0.000 0.000 -5.914) 5.914 17.410 ( 0.000 0.000 -7.764) 7.764 17.410 ( 0.000 0.000 -7.764) 7.764 18.137 ( -0.000 -0.000 -11.720) 11.720 18.137 ( -0.000 0.000 -11.720) 11.720 18.188 ( 0.000 0.000 -15.283) 15.283 18.188 ( 0.000 0.000 -15.283) 15.283 19.754 ( 0.000 0.000 6.088) 6.088 19.754 ( 0.000 0.000 6.088) 6.088 20.184 ( 0.000 0.000 13.616) 13.616 20.184 ( 0.000 0.000 13.616) 13.616 21.015 ( 0.000 0.000 10.445) 10.445 21.015 ( 0.000 0.000 10.445) 10.445 21.355 ( 0.000 0.000 11.930) 11.930 21.355 ( 0.000 0.000 11.930) 11.930 ======================= Grid point 147 (49/80) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 0.000 0.000 31.825) 31.825 2.443 ( 0.000 0.000 38.149) 38.149 3.042 ( 0.000 0.000 -17.600) 17.600 3.188 ( 0.000 0.000 6.232) 6.232 3.296 ( 0.000 0.000 16.506) 16.506 3.384 ( 0.000 0.000 -4.469) 4.469 3.454 ( 0.000 0.000 18.588) 18.588 3.509 ( 0.000 0.000 0.959) 0.959 3.607 ( 0.000 0.000 -14.168) 14.168 3.788 ( 0.000 0.000 4.648) 4.648 3.828 ( 0.000 0.000 -4.253) 4.253 3.932 ( 0.000 0.000 -0.117) 0.117 3.952 ( 0.000 0.000 8.277) 8.277 4.103 ( 0.000 0.000 22.806) 22.806 4.188 ( 0.000 0.000 -5.257) 5.257 4.323 ( 0.000 0.000 -3.954) 3.954 4.434 ( 0.000 0.000 10.708) 10.708 4.520 ( 0.000 0.000 -9.782) 9.782 4.646 ( 0.000 0.000 8.639) 8.639 4.794 ( 0.000 0.000 2.455) 2.455 4.895 ( 0.000 0.000 3.557) 3.557 4.912 ( 0.000 0.000 -3.415) 3.415 5.045 ( 0.000 0.000 5.942) 5.942 5.113 ( 0.000 0.000 8.398) 8.398 5.133 ( 0.000 0.000 -2.530) 2.530 5.189 ( 0.000 0.000 -11.213) 11.213 5.278 ( 0.000 0.000 0.930) 0.930 5.383 ( 0.000 0.000 -4.763) 4.763 5.464 ( 0.000 0.000 14.867) 14.867 5.627 ( 0.000 0.000 3.084) 3.084 5.666 ( 0.000 0.000 2.876) 2.876 5.783 ( 0.000 0.000 2.985) 2.985 5.949 ( 0.000 0.000 -0.572) 0.572 6.068 ( 0.000 0.000 -10.799) 10.799 6.138 ( 0.000 0.000 -8.105) 8.105 6.271 ( 0.000 0.000 -10.138) 10.138 6.691 ( 0.000 0.000 6.372) 6.372 6.770 ( 0.000 0.000 3.304) 3.304 7.130 ( 0.000 0.000 7.023) 7.023 7.143 ( 0.000 0.000 4.364) 4.364 7.350 ( 0.000 0.000 1.547) 1.547 7.479 ( 0.000 0.000 4.866) 4.866 7.482 ( 0.000 0.000 -3.936) 3.936 7.567 ( 0.000 0.000 13.761) 13.761 7.615 ( 0.000 0.000 1.245) 1.245 7.664 ( 0.000 0.000 -1.152) 1.152 7.804 ( 0.000 0.000 10.705) 10.705 7.948 ( 0.000 0.000 -5.635) 5.635 8.071 ( 0.000 0.000 -11.164) 11.164 8.181 ( 0.000 0.000 8.064) 8.064 8.482 ( 0.000 0.000 -7.027) 7.027 8.554 ( 0.000 0.000 -13.819) 13.819 9.007 ( 0.000 0.000 8.190) 8.190 9.149 ( 0.000 0.000 2.896) 2.896 9.230 ( 0.000 0.000 10.134) 10.134 9.314 ( 0.000 0.000 -5.227) 5.227 9.509 ( 0.000 0.000 6.191) 6.191 9.737 ( 0.000 0.000 -0.867) 0.867 9.789 ( 0.000 0.000 -1.653) 1.653 9.923 ( 0.000 0.000 -4.153) 4.153 10.045 ( 0.000 0.000 -7.399) 7.399 10.100 ( 0.000 0.000 2.949) 2.949 10.293 ( 0.000 0.000 -4.998) 4.998 10.321 ( 0.000 0.000 -10.652) 10.652 10.388 ( 0.000 0.000 2.388) 2.388 10.416 ( 0.000 0.000 3.991) 3.991 10.721 ( 0.000 0.000 -0.426) 0.426 10.780 ( 0.000 0.000 -7.721) 7.721 11.334 ( 0.000 0.000 5.092) 5.092 11.537 ( 0.000 0.000 3.097) 3.097 11.597 ( 0.000 0.000 -3.793) 3.793 11.609 ( 0.000 0.000 -2.848) 2.848 11.624 ( 0.000 0.000 7.321) 7.321 11.944 ( 0.000 0.000 -11.196) 11.196 12.007 ( 0.000 0.000 -5.457) 5.457 12.045 ( 0.000 0.000 -14.127) 14.127 12.660 ( 0.000 0.000 4.746) 4.746 12.815 ( 0.000 0.000 -1.635) 1.635 12.890 ( 0.000 0.000 -3.918) 3.918 13.016 ( 0.000 0.000 -9.785) 9.785 14.096 ( 0.000 0.000 3.968) 3.968 14.111 ( 0.000 0.000 4.640) 4.640 14.169 ( 0.000 0.000 0.628) 0.628 14.187 ( 0.000 0.000 -0.251) 0.251 14.308 ( 0.000 0.000 -0.197) 0.197 14.346 ( 0.000 0.000 -1.161) 1.161 14.472 ( 0.000 0.000 0.044) 0.044 14.499 ( 0.000 0.000 1.166) 1.166 14.927 ( 0.000 0.000 0.468) 0.468 14.944 ( 0.000 0.000 0.536) 0.536 15.572 ( 0.000 0.000 3.351) 3.351 15.618 ( 0.000 0.000 11.407) 11.407 15.620 ( 0.000 0.000 5.896) 5.896 15.637 ( 0.000 0.000 0.456) 0.456 16.010 ( 0.000 0.000 6.642) 6.642 16.040 ( 0.000 0.000 -5.980) 5.980 16.127 ( 0.000 0.000 -2.193) 2.193 16.203 ( 0.000 0.000 -2.243) 2.243 16.227 ( 0.000 0.000 4.132) 4.132 16.345 ( 0.000 0.000 -4.150) 4.150 16.448 ( 0.000 0.000 -2.949) 2.949 16.508 ( 0.000 0.000 -5.363) 5.363 16.615 ( 0.000 0.000 -2.767) 2.767 16.655 ( 0.000 0.000 -2.565) 2.565 16.665 ( 0.000 0.000 -4.466) 4.466 16.691 ( 0.000 0.000 -9.684) 9.684 17.351 ( 0.000 0.000 11.258) 11.258 17.770 ( 0.000 0.000 -1.208) 1.208 17.773 ( 0.000 0.000 1.188) 1.188 17.815 ( 0.000 0.000 0.320) 0.320 18.009 ( 0.000 0.000 -20.030) 20.030 18.009 ( 0.000 0.000 -12.923) 12.923 19.604 ( 0.000 0.000 4.775) 4.775 19.680 ( 0.000 0.000 0.697) 0.697 20.279 ( 0.000 0.000 6.034) 6.034 20.279 ( 0.000 0.000 5.224) 5.224 21.254 ( 0.000 0.000 13.621) 13.621 21.445 ( 0.000 0.000 2.459) 2.459 21.873 ( 0.000 0.000 13.996) 13.996 22.358 ( 0.000 0.000 -10.341) 10.341 ======================= Grid point 148 (50/80) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 9.564 0.000 28.587) 30.144 2.437 ( 1.121 0.000 35.092) 35.110 3.013 ( -3.212 0.000 -9.896) 10.404 3.141 ( -2.398 0.000 1.331) 2.742 3.296 ( -6.977 0.000 -3.968) 8.027 3.355 ( 2.219 0.000 9.961) 10.205 3.497 ( -3.062 0.000 -3.223) 4.446 3.518 ( 3.720 0.000 10.323) 10.973 3.571 ( -4.965 0.000 -11.454) 12.484 3.765 ( -2.393 0.000 -4.846) 5.405 3.804 ( 2.092 0.000 5.600) 5.978 3.930 ( -1.378 0.000 1.582) 2.098 3.958 ( 0.721 0.000 6.780) 6.818 4.149 ( -2.668 0.000 -3.590) 4.472 4.164 ( 6.561 0.000 27.057) 27.841 4.325 ( 0.074 0.000 -4.618) 4.619 4.398 ( -7.041 0.000 2.101) 7.348 4.433 ( -1.766 0.000 13.699) 13.813 4.642 ( -1.554 0.000 3.706) 4.019 4.686 ( -7.639 0.000 3.262) 8.307 4.767 ( -2.038 0.000 -1.202) 2.366 4.916 ( -4.862 0.000 -2.005) 5.259 5.066 ( 3.004 0.000 -5.097) 5.917 5.151 ( 1.732 0.000 1.721) 2.442 5.165 ( 1.061 0.000 10.273) 10.327 5.276 ( -0.631 0.000 3.197) 3.259 5.360 ( 3.188 0.000 -1.803) 3.663 5.370 ( 11.119 0.000 -8.632) 14.076 5.570 ( 10.032 0.000 7.614) 12.594 5.670 ( 0.875 0.000 2.556) 2.701 5.741 ( 7.011 0.000 9.038) 11.439 5.856 ( 4.601 0.000 2.952) 5.467 5.997 ( 4.193 0.000 -1.204) 4.363 6.006 ( -3.899 0.000 -10.957) 11.630 6.140 ( 0.285 0.000 -6.256) 6.263 6.261 ( -2.656 0.000 -6.306) 6.843 6.621 ( -6.009 0.000 7.472) 9.589 6.719 ( -4.579 0.000 3.285) 5.635 7.082 ( -4.506 0.000 3.348) 5.614 7.089 ( -3.217 0.000 3.218) 4.550 7.304 ( -2.077 0.000 1.359) 2.482 7.473 ( -7.669 0.000 1.780) 7.873 7.523 ( 0.387 0.000 11.949) 11.956 7.568 ( 5.052 0.000 -2.911) 5.830 7.603 ( 2.530 0.000 -5.757) 6.288 7.661 ( 0.571 0.000 5.429) 5.459 7.798 ( 0.405 0.000 13.546) 13.552 8.012 ( 2.228 0.000 -1.397) 2.630 8.130 ( 4.202 0.000 -9.018) 9.949 8.193 ( 0.961 0.000 4.081) 4.192 8.388 ( -4.988 0.000 -6.257) 8.002 8.497 ( -5.081 0.000 -13.312) 14.249 9.044 ( 1.546 0.000 14.253) 14.336 9.083 ( -4.357 0.000 6.868) 8.133 9.322 ( 7.689 0.000 0.557) 7.709 9.378 ( 5.270 0.000 -4.505) 6.933 9.487 ( -1.904 0.000 3.207) 3.730 9.685 ( -4.130 0.000 -0.989) 4.247 9.796 ( 0.404 0.000 -2.523) 2.555 9.957 ( 2.664 0.000 -4.004) 4.810 10.067 ( -0.869 0.000 -1.529) 1.759 10.078 ( 0.991 0.000 -4.889) 4.989 10.117 ( -10.126 0.000 -7.384) 12.533 10.339 ( -1.270 0.000 -5.102) 5.258 10.485 ( 5.552 0.000 4.096) 6.900 10.523 ( 9.490 0.000 -2.177) 9.737 10.735 ( 1.300 0.000 -2.153) 2.515 10.743 ( -3.345 0.000 -6.741) 7.525 11.358 ( 1.397 0.000 5.670) 5.839 11.471 ( -4.803 0.000 9.952) 11.050 11.542 ( -4.770 0.000 -1.343) 4.956 11.661 ( 5.359 0.000 -7.430) 9.161 11.689 ( 2.768 0.000 6.806) 7.347 11.862 ( -3.425 0.000 -9.398) 10.003 11.982 ( -4.945 0.000 -16.270) 17.005 12.071 ( 2.318 0.000 -9.656) 9.930 12.680 ( 1.845 0.000 4.029) 4.431 12.817 ( 0.146 0.000 -1.633) 1.640 12.891 ( 0.144 0.000 -3.848) 3.850 12.989 ( -2.191 0.000 -8.151) 8.440 14.038 ( -5.634 0.000 1.484) 5.826 14.041 ( -4.515 0.000 1.442) 4.739 14.158 ( -1.533 0.000 0.782) 1.721 14.161 ( -0.006 0.000 1.681) 1.681 14.353 ( 3.331 0.000 1.443) 3.630 14.416 ( 4.521 0.000 -1.006) 4.631 14.489 ( 1.587 0.000 1.351) 2.085 14.522 ( 1.749 0.000 1.240) 2.144 14.913 ( -1.077 0.000 1.036) 1.494 14.945 ( 0.167 0.000 0.373) 0.408 15.420 ( -9.553 0.000 4.910) 10.741 15.507 ( -7.133 0.000 3.935) 8.146 15.567 ( -2.088 0.000 5.159) 5.566 15.663 ( -3.184 0.000 1.162) 3.390 15.952 ( -0.085 0.000 3.206) 3.207 16.138 ( 0.813 0.000 0.532) 0.972 16.151 ( -0.476 0.000 5.165) 5.187 16.226 ( 5.516 0.000 1.441) 5.701 16.260 ( 1.002 0.000 -2.995) 3.158 16.386 ( 1.654 0.000 -2.935) 3.369 16.453 ( -3.294 0.000 -6.909) 7.654 16.474 ( 1.567 0.000 -1.976) 2.523 16.646 ( 9.056 0.000 -4.981) 10.335 16.666 ( 4.060 0.000 -6.204) 7.415 16.784 ( 11.131 0.000 0.271) 11.134 16.958 ( 13.387 0.000 -9.303) 16.302 17.375 ( 1.368 0.000 6.535) 6.676 17.582 ( -8.065 0.000 0.137) 8.066 17.640 ( -9.311 0.000 -5.243) 10.685 17.979 ( -2.696 0.000 -19.762) 19.945 17.982 ( 7.195 0.000 0.675) 7.226 18.096 ( 5.018 0.000 -8.923) 10.237 19.636 ( 2.827 0.000 4.551) 5.357 19.693 ( 1.246 0.000 1.306) 1.805 20.251 ( -2.396 0.000 6.206) 6.652 20.263 ( -1.481 0.000 4.934) 5.152 21.269 ( 1.432 0.000 13.303) 13.380 21.446 ( 0.087 0.000 2.904) 2.905 21.843 ( -2.648 0.000 12.891) 13.161 22.216 ( -12.090 0.000 -4.613) 12.940 ======================= Grid point 149 (51/80) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 14.357 0.000 20.883) 25.343 2.551 ( 10.125 0.000 23.568) 25.651 2.903 ( -7.261 0.000 0.433) 7.274 3.112 ( -0.196 0.000 -3.712) 3.717 3.118 ( -10.083 0.000 -3.005) 10.521 3.336 ( -10.703 0.000 -9.644) 14.407 3.346 ( -2.258 0.000 10.749) 10.984 3.431 ( -6.815 0.000 1.361) 6.949 3.566 ( 2.279 0.000 -1.350) 2.648 3.720 ( -3.505 0.000 -2.567) 4.344 3.852 ( 1.749 0.000 0.665) 1.872 3.904 ( -0.682 0.000 -2.943) 3.021 3.993 ( 2.773 0.000 6.254) 6.841 4.106 ( -0.698 0.000 0.553) 0.891 4.214 ( -3.061 0.000 1.420) 3.374 4.252 ( -7.037 0.000 7.192) 10.062 4.404 ( 3.528 0.000 17.622) 17.971 4.420 ( 2.714 0.000 -2.320) 3.570 4.582 ( -3.050 0.000 7.702) 8.283 4.647 ( 4.149 0.000 5.804) 7.134 4.838 ( 6.532 0.000 2.643) 7.047 4.879 ( 1.837 0.000 -2.526) 3.123 4.986 ( -2.540 0.000 1.700) 3.056 5.155 ( -1.476 0.000 4.320) 4.566 5.216 ( 1.723 0.000 5.693) 5.947 5.311 ( 1.862 0.000 2.837) 3.394 5.487 ( 5.657 0.000 2.049) 6.016 5.582 ( 7.139 0.000 -4.493) 8.435 5.698 ( 2.288 0.000 -0.985) 2.492 5.757 ( 4.033 0.000 -0.085) 4.034 5.818 ( 2.125 0.000 7.199) 7.506 5.916 ( 0.118 0.000 3.727) 3.729 6.002 ( 3.440 0.000 -0.387) 3.462 6.061 ( 0.413 0.000 -0.309) 0.516 6.146 ( -5.925 0.000 2.241) 6.335 6.180 ( 3.275 0.000 -1.514) 3.608 6.493 ( -4.277 0.000 6.337) 7.645 6.597 ( -6.203 0.000 2.379) 6.644 6.967 ( -5.069 0.000 -1.243) 5.219 7.026 ( -4.123 0.000 -3.204) 5.221 7.310 ( 2.842 0.000 2.932) 4.083 7.343 ( -1.906 0.000 4.543) 4.926 7.488 ( -2.719 0.000 6.509) 7.054 7.567 ( -4.669 0.000 4.300) 6.348 7.711 ( 5.811 0.000 0.256) 5.817 7.726 ( 4.147 0.000 -0.500) 4.177 7.826 ( 1.460 0.000 10.917) 11.014 7.947 ( -6.609 0.000 5.272) 8.454 8.208 ( 2.541 0.000 0.116) 2.544 8.231 ( 3.685 0.000 -8.736) 9.482 8.349 ( -2.000 0.000 -9.688) 9.892 8.383 ( -3.642 0.000 -9.426) 10.105 9.041 ( 0.921 0.000 10.325) 10.366 9.064 ( 0.923 0.000 16.007) 16.034 9.407 ( -2.564 0.000 0.308) 2.583 9.455 ( 2.669 0.000 -6.985) 7.478 9.528 ( 5.021 0.000 -3.676) 6.223 9.562 ( -5.678 0.000 -0.376) 5.691 9.868 ( 6.351 0.000 -4.093) 7.556 9.917 ( -7.089 0.000 -4.647) 8.477 9.992 ( -4.495 0.000 2.280) 5.040 10.007 ( 1.484 0.000 -4.389) 4.633 10.148 ( 3.935 0.000 -11.931) 12.563 10.312 ( -1.608 0.000 -9.548) 9.683 10.568 ( 0.657 0.000 2.167) 2.265 10.617 ( -4.189 0.000 -4.929) 6.468 10.756 ( 8.599 0.000 -1.850) 8.796 10.808 ( 6.542 0.000 -2.928) 7.168 11.292 ( -7.728 0.000 5.669) 9.584 11.348 ( -7.365 0.000 11.617) 13.755 11.504 ( 2.281 0.000 4.965) 5.464 11.663 ( -4.120 0.000 7.574) 8.622 11.799 ( 5.368 0.000 -8.319) 9.901 11.837 ( 0.548 0.000 -11.577) 11.590 11.923 ( 0.896 0.000 -18.733) 18.755 12.076 ( -1.852 0.000 -12.131) 12.272 12.731 ( 2.737 0.000 2.297) 3.573 12.814 ( -0.682 0.000 -1.174) 1.358 12.898 ( 0.554 0.000 -3.653) 3.695 12.944 ( -1.803 0.000 -5.380) 5.674 13.933 ( -3.599 0.000 -0.775) 3.682 13.946 ( -3.829 0.000 -1.283) 4.038 14.138 ( -0.359 0.000 1.710) 1.747 14.156 ( -0.531 0.000 1.166) 1.281 14.431 ( 3.892 0.000 2.745) 4.763 14.495 ( 2.768 0.000 0.472) 2.808 14.525 ( 1.203 0.000 1.911) 2.258 14.552 ( 0.775 0.000 1.497) 1.685 14.899 ( 0.271 0.000 2.447) 2.462 14.948 ( -0.121 0.000 1.048) 1.055 15.268 ( -4.584 0.000 3.111) 5.539 15.349 ( -6.936 0.000 0.616) 6.963 15.527 ( -1.545 0.000 2.911) 3.296 15.573 ( -4.076 0.000 0.845) 4.163 15.982 ( 2.494 0.000 2.589) 3.595 16.119 ( -2.813 0.000 0.481) 2.854 16.151 ( 1.769 0.000 2.399) 2.980 16.259 ( -0.488 0.000 -8.055) 8.070 16.323 ( 2.405 0.000 5.983) 6.448 16.349 ( -2.088 0.000 3.606) 4.167 16.475 ( 2.618 0.000 5.740) 6.309 16.509 ( 1.525 0.000 3.363) 3.692 16.779 ( 6.468 0.000 -7.943) 10.243 16.875 ( 9.084 0.000 -9.182) 12.916 17.033 ( 10.649 0.000 -2.479) 10.934 17.158 ( 4.506 0.000 -10.311) 11.253 17.297 ( -5.964 0.000 -1.463) 6.141 17.440 ( -9.053 0.000 -7.406) 11.696 17.605 ( 8.183 0.000 -3.194) 8.784 17.898 ( -4.845 0.000 -16.382) 17.084 18.095 ( 3.723 0.000 -1.525) 4.023 18.165 ( 1.196 0.000 -7.344) 7.441 19.708 ( 3.435 0.000 3.964) 5.245 19.728 ( 1.816 0.000 2.624) 3.191 20.196 ( -2.223 0.000 6.277) 6.659 20.221 ( -2.333 0.000 4.665) 5.216 21.318 ( 3.345 0.000 11.963) 12.422 21.443 ( -0.632 0.000 4.479) 4.523 21.780 ( -2.681 0.000 10.584) 10.918 21.937 ( -12.274 0.000 4.661) 13.129 ======================= Grid point 150 (52/80) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -11.964 0.000 12.023) 16.961 2.682 ( 11.964 0.000 12.023) 16.961 2.847 ( -14.505 0.000 5.457) 15.497 2.847 ( 14.505 0.000 5.457) 15.497 3.156 ( -5.069 0.000 -5.021) 7.135 3.156 ( 5.069 0.000 -5.021) 7.135 3.329 ( -1.921 0.000 7.343) 7.590 3.329 ( 1.921 0.000 7.343) 7.590 3.635 ( -3.992 0.000 -2.332) 4.623 3.635 ( 3.992 0.000 -2.332) 4.623 3.883 ( -1.313 0.000 -5.086) 5.253 3.883 ( 1.313 0.000 -5.086) 5.253 4.073 ( -4.248 0.000 7.901) 8.970 4.073 ( 4.248 0.000 7.901) 8.970 4.166 ( -0.661 0.000 1.677) 1.802 4.166 ( 0.661 0.000 1.677) 1.802 4.441 ( -1.401 0.000 0.016) 1.401 4.441 ( 1.401 0.000 0.016) 1.401 4.608 ( -5.460 0.000 4.060) 6.804 4.608 ( 5.460 0.000 4.060) 6.804 4.923 ( -0.131 0.000 -0.216) 0.253 4.923 ( 0.131 0.000 -0.216) 0.253 5.107 ( -5.348 0.000 8.202) 9.792 5.107 ( 5.348 0.000 8.202) 9.792 5.257 ( -4.854 0.000 7.859) 9.237 5.257 ( 4.854 0.000 7.859) 9.237 5.587 ( -4.276 0.000 -0.408) 4.295 5.587 ( 4.276 0.000 -0.408) 4.295 5.780 ( -4.958 0.000 0.720) 5.010 5.780 ( 4.958 0.000 0.720) 5.010 5.852 ( -5.364 0.000 -0.528) 5.390 5.852 ( 5.364 0.000 -0.528) 5.390 6.045 ( -1.398 0.000 5.005) 5.197 6.045 ( 1.398 0.000 5.005) 5.197 6.166 ( -4.489 0.000 5.108) 6.801 6.166 ( 4.489 0.000 5.108) 6.801 6.492 ( -3.327 0.000 1.475) 3.639 6.492 ( 3.327 0.000 1.475) 3.639 6.933 ( -2.532 0.000 -4.324) 5.011 6.933 ( 2.532 0.000 -4.324) 5.011 7.378 ( -1.217 0.000 6.096) 6.217 7.378 ( 1.217 0.000 6.096) 6.217 7.448 ( -3.524 0.000 4.397) 5.635 7.448 ( 3.524 0.000 4.397) 5.635 7.802 ( -0.054 0.000 -2.795) 2.795 7.802 ( 0.054 0.000 -2.795) 2.795 7.827 ( -1.912 0.000 11.229) 11.391 7.827 ( 1.912 0.000 11.229) 11.391 8.268 ( -3.520 0.000 -9.092) 9.749 8.268 ( 3.520 0.000 -9.092) 9.749 8.324 ( -4.135 0.000 -4.427) 6.058 8.324 ( 4.135 0.000 -4.427) 6.058 9.077 ( -0.691 0.000 12.170) 12.189 9.077 ( 0.691 0.000 12.170) 12.189 9.395 ( -2.869 0.000 -1.437) 3.209 9.395 ( 2.869 0.000 -1.437) 3.209 9.559 ( -1.758 0.000 -5.409) 5.687 9.559 ( 1.758 0.000 -5.409) 5.687 9.890 ( -3.709 0.000 0.635) 3.763 9.890 ( 3.709 0.000 0.635) 3.763 9.993 ( -3.380 0.000 -5.228) 6.226 9.993 ( 3.380 0.000 -5.228) 6.226 10.244 ( -4.804 0.000 -13.620) 14.442 10.244 ( 4.804 0.000 -13.620) 14.442 10.556 ( -0.258 0.000 0.152) 0.299 10.556 ( 0.258 0.000 0.152) 0.299 10.906 ( -2.118 0.000 -4.591) 5.056 10.906 ( 2.118 0.000 -4.591) 5.056 11.198 ( -3.107 0.000 10.527) 10.976 11.198 ( 3.107 0.000 10.527) 10.976 11.573 ( -3.811 0.000 7.254) 8.194 11.573 ( 3.811 0.000 7.254) 8.194 11.850 ( -0.091 0.000 -11.754) 11.755 11.850 ( 0.091 0.000 -11.754) 11.755 12.001 ( -4.781 0.000 -14.337) 15.113 12.001 ( 4.781 0.000 -14.337) 15.113 12.784 ( -2.088 0.000 0.278) 2.107 12.784 ( 2.088 0.000 0.278) 2.107 12.915 ( -1.041 0.000 -3.866) 4.003 12.915 ( 1.041 0.000 -3.866) 4.003 13.899 ( -0.390 0.000 -1.837) 1.878 13.899 ( 0.390 0.000 -1.837) 1.878 14.142 ( -0.625 0.000 1.268) 1.414 14.142 ( 0.625 0.000 1.268) 1.414 14.502 ( -2.338 0.000 3.642) 4.328 14.502 ( 2.338 0.000 3.642) 4.328 14.548 ( -1.170 0.000 0.399) 1.236 14.548 ( 1.170 0.000 0.399) 1.236 14.927 ( -1.801 0.000 3.021) 3.517 14.927 ( 1.801 0.000 3.021) 3.517 15.243 ( -2.369 0.000 -0.187) 2.376 15.243 ( 2.369 0.000 -0.187) 2.376 15.518 ( -1.009 0.000 1.613) 1.902 15.518 ( 1.009 0.000 1.613) 1.902 16.047 ( -3.511 0.000 0.180) 3.515 16.047 ( 3.511 0.000 0.180) 3.515 16.212 ( -3.404 0.000 -0.578) 3.453 16.212 ( 3.404 0.000 -0.578) 3.453 16.340 ( -0.271 0.000 4.293) 4.301 16.340 ( 0.271 0.000 4.293) 4.301 16.518 ( -0.993 0.000 8.258) 8.318 16.518 ( 0.993 0.000 8.258) 8.318 16.915 ( -5.008 0.000 -8.519) 9.883 16.915 ( 5.008 0.000 -8.519) 9.883 17.174 ( -2.020 0.000 -7.191) 7.469 17.174 ( 2.020 0.000 -7.191) 7.469 17.285 ( -4.457 0.000 -6.551) 7.923 17.285 ( 4.457 0.000 -6.551) 7.923 17.776 ( -6.973 0.000 -10.096) 12.270 17.776 ( 6.973 0.000 -10.096) 12.270 18.153 ( -1.897 0.000 -5.296) 5.625 18.153 ( 1.897 0.000 -5.296) 5.625 19.751 ( -0.241 0.000 3.477) 3.485 19.751 ( 0.241 0.000 3.477) 3.485 20.181 ( -0.939 0.000 5.415) 5.496 20.181 ( 0.939 0.000 5.415) 5.496 21.400 ( -3.648 0.000 8.377) 9.137 21.400 ( 3.648 0.000 8.377) 9.137 21.770 ( -2.950 0.000 8.842) 9.321 21.770 ( 2.950 0.000 8.842) 9.321 ======================= Grid point 154 (53/80) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.000 13.289 27.795) 30.808 2.530 ( 0.000 8.184 35.262) 36.199 3.113 ( 0.000 6.312 -17.468) 18.573 3.165 ( 0.000 -1.783 7.000) 7.224 3.323 ( 0.000 2.369 5.523) 6.010 3.439 ( 0.000 4.616 -1.065) 4.737 3.493 ( 0.000 1.477 12.373) 12.461 3.496 ( 0.000 -1.728 3.425) 3.836 3.555 ( 0.000 -5.939 -0.941) 6.013 3.769 ( 0.000 -0.176 4.873) 4.876 3.854 ( 0.000 0.630 12.458) 12.474 3.867 ( 0.000 2.104 -4.403) 4.880 3.946 ( 0.000 0.345 0.471) 0.584 4.146 ( 0.000 -3.882 -8.067) 8.952 4.246 ( 0.000 9.991 12.765) 16.210 4.371 ( 0.000 -2.451 5.823) 6.318 4.421 ( 0.000 -2.437 0.203) 2.446 4.600 ( 0.000 6.946 5.717) 8.996 4.670 ( 0.000 7.822 -3.292) 8.486 4.782 ( 0.000 -4.816 3.397) 5.894 4.869 ( 0.000 -3.548 -1.004) 3.687 4.874 ( 0.000 2.737 2.378) 3.626 5.032 ( 0.000 -1.577 0.133) 1.583 5.066 ( 0.000 1.285 9.317) 9.405 5.147 ( 0.000 -1.219 -1.102) 1.643 5.288 ( 0.000 3.698 -3.155) 4.861 5.316 ( 0.000 2.250 2.630) 3.461 5.344 ( 0.000 -0.094 -2.200) 2.202 5.519 ( 0.000 5.319 10.198) 11.501 5.639 ( 0.000 1.494 1.753) 2.303 5.673 ( 0.000 0.323 3.492) 3.507 5.799 ( 0.000 0.834 4.308) 4.388 5.944 ( 0.000 0.125 -2.961) 2.964 6.096 ( 0.000 2.366 -9.701) 9.985 6.133 ( 0.000 -0.441 -7.886) 7.898 6.271 ( 0.000 -0.124 -10.105) 10.106 6.658 ( 0.000 -2.767 6.971) 7.500 6.748 ( 0.000 -2.274 3.610) 4.266 7.076 ( 0.000 -6.022 8.168) 10.147 7.161 ( 0.000 0.716 5.633) 5.679 7.287 ( 0.000 -4.332 0.451) 4.355 7.325 ( 0.000 -7.922 3.105) 8.508 7.515 ( 0.000 2.243 -5.735) 6.158 7.567 ( 0.000 -2.487 -5.073) 5.650 7.659 ( 0.000 -0.120 9.603) 9.603 7.779 ( 0.000 -0.670 1.333) 1.492 7.811 ( 0.000 -8.807 0.778) 8.842 7.814 ( 0.000 12.835 10.798) 16.773 8.021 ( 0.000 -4.045 -10.182) 10.956 8.323 ( 0.000 9.011 3.182) 9.556 8.524 ( 0.000 3.407 -4.619) 5.740 8.566 ( 0.000 -0.093 -11.074) 11.075 8.989 ( 0.000 -0.350 5.327) 5.339 9.150 ( 0.000 0.222 1.578) 1.594 9.223 ( 0.000 -0.085 10.729) 10.729 9.304 ( 0.000 -0.525 -4.280) 4.312 9.559 ( 0.000 3.605 9.083) 9.772 9.754 ( 0.000 -2.567 2.058) 3.290 9.777 ( 0.000 4.179 -1.989) 4.628 9.926 ( 0.000 -1.157 -2.038) 2.343 10.002 ( 0.000 -3.766 -5.857) 6.963 10.124 ( 0.000 1.980 -2.022) 2.830 10.309 ( 0.000 -1.040 -7.255) 7.330 10.315 ( 0.000 0.840 -4.883) 4.955 10.388 ( 0.000 0.609 -1.205) 1.350 10.422 ( 0.000 0.678 0.408) 0.791 10.693 ( 0.000 -2.529 -0.383) 2.557 10.742 ( 0.000 -3.716 -7.015) 7.938 11.242 ( 0.000 -6.479 6.305) 9.041 11.402 ( 0.000 -7.859 2.272) 8.180 11.528 ( 0.000 -6.000 -3.266) 6.831 11.682 ( 0.000 3.665 5.698) 6.775 11.683 ( 0.000 4.029 -2.198) 4.590 11.860 ( 0.000 -7.170 -12.490) 14.402 12.049 ( 0.000 -0.216 -13.046) 13.048 12.051 ( 0.000 2.227 -7.607) 7.926 12.671 ( 0.000 1.124 3.144) 3.339 12.790 ( 0.000 -2.348 -1.643) 2.865 12.889 ( 0.000 -0.110 -3.352) 3.354 12.958 ( 0.000 -3.667 -6.217) 7.218 14.082 ( 0.000 -1.090 2.539) 2.764 14.122 ( 0.000 0.009 2.128) 2.128 14.177 ( 0.000 -0.701 1.004) 1.225 14.199 ( 0.000 1.035 0.716) 1.259 14.323 ( 0.000 4.448 1.234) 4.616 14.387 ( 0.000 3.386 -0.751) 3.468 14.543 ( 0.000 3.955 3.630) 5.368 14.610 ( 0.000 9.923 -0.196) 9.925 14.931 ( 0.000 -0.778 1.037) 1.297 14.945 ( 0.000 1.843 -0.214) 1.855 15.492 ( 0.000 -3.530 4.721) 5.894 15.546 ( 0.000 -3.843 12.182) 12.774 15.696 ( 0.000 2.991 -2.758) 4.069 15.732 ( 0.000 6.056 5.316) 8.059 15.996 ( 0.000 -0.246 2.278) 2.291 16.013 ( 0.000 -1.989 -3.751) 4.246 16.136 ( 0.000 -5.320 -3.513) 6.376 16.139 ( 0.000 -0.285 -4.221) 4.230 16.175 ( 0.000 -4.077 4.906) 6.379 16.384 ( 0.000 1.872 -6.592) 6.852 16.523 ( 0.000 1.469 -5.901) 6.081 16.529 ( 0.000 7.192 -2.842) 7.733 16.637 ( 0.000 4.726 -2.446) 5.321 16.671 ( 0.000 3.368 -5.017) 6.043 16.756 ( 0.000 6.427 -1.045) 6.512 16.791 ( 0.000 6.825 -5.471) 8.747 17.333 ( 0.000 -1.440 11.736) 11.824 17.717 ( 0.000 -5.098 -1.315) 5.265 17.719 ( 0.000 -5.058 0.932) 5.143 17.755 ( 0.000 -5.702 0.212) 5.706 17.989 ( 0.000 -1.801 -13.854) 13.970 18.001 ( 0.000 -0.858 -19.805) 19.824 19.640 ( 0.000 3.106 4.173) 5.202 19.693 ( 0.000 1.245 1.289) 1.792 20.341 ( 0.000 5.716 5.617) 8.014 20.342 ( 0.000 5.894 6.406) 8.705 21.242 ( 0.000 -0.973 12.944) 12.980 21.420 ( 0.000 -2.245 2.484) 3.348 21.800 ( 0.000 -6.791 12.856) 14.540 22.195 ( 0.000 -14.576 -6.025) 15.772 ======================= Grid point 155 (54/80) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 8.365 11.761 24.850) 28.738 2.551 ( 2.679 10.502 31.951) 33.739 3.059 ( -4.910 2.799 -3.864) 6.846 3.134 ( -0.892 0.347 -4.566) 4.665 3.306 ( -6.597 1.763 -3.197) 7.540 3.399 ( -0.054 3.835 8.024) 8.894 3.490 ( -1.267 -0.842 2.823) 3.207 3.504 ( -1.406 -2.921 3.993) 5.143 3.597 ( 2.641 0.679 -6.557) 7.101 3.713 ( -3.722 -1.894 1.119) 4.324 3.842 ( -0.934 2.398 1.873) 3.183 3.886 ( 2.615 0.365 1.916) 3.262 3.990 ( 1.542 1.399 3.206) 3.823 4.129 ( 0.202 -0.709 1.209) 1.416 4.299 ( 4.013 9.543 14.115) 17.504 4.336 ( -3.359 -2.092 3.943) 5.587 4.372 ( -0.683 -5.116 8.275) 9.753 4.542 ( -3.337 14.049 4.434) 15.105 4.607 ( -7.517 0.285 1.098) 7.602 4.739 ( -4.386 0.288 0.739) 4.457 4.806 ( -2.324 2.804 4.245) 5.593 4.901 ( 0.120 0.109 -2.646) 2.651 5.027 ( 1.926 -2.935 0.720) 3.584 5.068 ( -1.960 -3.195 4.282) 5.691 5.174 ( 2.464 -0.572 3.290) 4.150 5.289 ( -2.294 0.015 1.757) 2.890 5.311 ( 5.554 -2.384 -1.918) 6.341 5.459 ( 8.791 6.498 -3.805) 11.575 5.639 ( 9.093 4.258 8.386) 13.082 5.687 ( 2.877 1.335 4.574) 5.566 5.719 ( 4.230 -0.216 5.678) 7.084 5.864 ( 4.349 0.098 2.832) 5.191 5.997 ( 3.491 0.286 -1.428) 3.782 6.015 ( -3.650 0.980 -10.852) 11.492 6.133 ( -0.128 -0.717 -6.333) 6.375 6.280 ( -1.539 1.321 -6.064) 6.394 6.602 ( -4.753 -1.316 7.739) 9.177 6.714 ( -3.072 -0.831 3.150) 4.478 7.043 ( -2.609 -4.633 4.981) 7.286 7.118 ( -2.873 2.217 3.889) 5.319 7.247 ( -2.574 -3.110 -1.252) 4.226 7.344 ( 0.121 -8.338 4.641) 9.543 7.557 ( 1.797 -0.851 -3.589) 4.103 7.583 ( 1.854 -1.497 -2.546) 3.487 7.659 ( -1.162 0.849 -2.039) 2.496 7.676 ( -5.163 4.758 2.431) 7.430 7.788 ( 0.091 -0.073 14.265) 14.265 7.857 ( 1.903 -8.519 2.533) 9.089 8.084 ( 3.480 -3.157 -8.167) 9.423 8.299 ( -4.068 5.544 1.946) 7.147 8.446 ( -2.472 3.414 -3.059) 5.208 8.550 ( -3.048 5.307 -9.332) 11.160 8.978 ( -1.225 -4.208 7.160) 8.395 9.123 ( -1.039 3.288 12.465) 12.933 9.329 ( 7.248 1.135 0.393) 7.347 9.357 ( 5.919 -3.038 -5.346) 8.536 9.543 ( -2.180 5.064 5.783) 7.990 9.672 ( -5.712 -1.976 2.178) 6.424 9.781 ( 0.233 0.685 -3.515) 3.588 9.959 ( 1.842 -1.572 -1.512) 2.855 10.038 ( 1.830 -2.516 -4.506) 5.476 10.106 ( -0.212 3.583 -6.544) 7.464 10.156 ( -9.412 2.546 -5.503) 11.196 10.350 ( 0.467 0.576 -6.086) 6.131 10.424 ( 4.946 -3.411 1.335) 6.154 10.556 ( 8.222 0.994 -1.314) 8.385 10.685 ( -0.564 -4.244 -3.371) 5.449 10.714 ( -2.235 -2.959 -5.423) 6.570 11.259 ( 1.015 -6.848 7.568) 10.257 11.385 ( -2.080 -6.442 4.489) 8.123 11.567 ( -0.501 -0.852 1.867) 2.112 11.613 ( 0.586 -1.175 -2.061) 2.444 11.738 ( 1.433 2.667 1.483) 3.372 11.847 ( -0.403 -3.714 -12.610) 13.152 11.966 ( -4.620 0.028 -14.508) 15.226 12.078 ( 0.263 0.505 -10.123) 10.139 12.684 ( 1.046 0.001 2.401) 2.619 12.782 ( -0.802 -2.914 -1.929) 3.586 12.903 ( 1.348 0.657 -3.199) 3.533 12.962 ( 0.290 -1.171 -5.249) 5.386 14.014 ( -4.564 -0.082 0.282) 4.574 14.102 ( -3.267 1.861 2.889) 4.741 14.161 ( -2.146 1.076 0.704) 2.502 14.201 ( 0.445 1.863 1.679) 2.547 14.286 ( 0.428 -1.127 0.054) 1.207 14.449 ( 1.364 0.140 -0.170) 1.381 14.549 ( 2.174 5.685 3.265) 6.906 14.627 ( 1.459 8.210 1.166) 8.420 14.931 ( -0.645 0.321 0.561) 0.913 14.950 ( 0.983 2.039 1.040) 2.491 15.415 ( -6.387 -0.103 4.492) 7.809 15.503 ( -3.467 -0.446 6.588) 7.458 15.603 ( -4.958 3.227 3.475) 6.861 15.697 ( -3.840 2.868 -0.896) 4.876 15.940 ( -0.010 -0.876 1.536) 1.768 16.107 ( -0.834 -3.047 0.962) 3.302 16.122 ( -0.706 -3.208 1.392) 3.567 16.169 ( 6.825 -2.686 1.693) 7.527 16.259 ( 1.821 -0.243 -0.027) 1.837 16.379 ( 1.071 -3.810 -9.084) 9.908 16.501 ( 0.142 5.784 -0.164) 5.788 16.544 ( -0.375 6.979 -2.766) 7.516 16.672 ( 3.243 3.313 -2.722) 5.376 16.727 ( 3.492 4.216 -7.158) 9.012 16.810 ( 12.108 2.529 -4.044) 13.013 16.993 ( 10.104 2.617 -5.050) 11.595 17.362 ( 1.250 -1.186 6.292) 6.524 17.528 ( -8.098 -4.998 -0.139) 9.517 17.622 ( -5.907 -1.457 -4.880) 7.799 17.912 ( 4.704 -4.943 -4.241) 8.034 17.991 ( 0.605 -0.506 -14.634) 14.655 18.065 ( 4.799 -2.803 -9.908) 11.360 19.668 ( 2.599 2.886 4.041) 5.604 19.708 ( 1.398 1.392 1.860) 2.712 20.307 ( -2.740 5.321 6.289) 8.682 20.327 ( -1.675 5.727 5.547) 8.147 21.250 ( 0.877 -1.540 12.574) 12.698 21.418 ( -0.241 -2.577 3.014) 3.972 21.773 ( -2.345 -6.472 11.891) 13.740 22.080 ( -9.807 -12.202 -1.705) 15.747 ======================= Grid point 156 (55/80) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 14.489 9.071 16.590) 23.821 2.659 ( 7.276 10.719 21.142) 24.795 2.953 ( -4.893 2.298 0.393) 5.420 3.097 ( -6.473 2.286 -3.959) 7.925 3.152 ( -3.261 1.366 -2.551) 4.360 3.333 ( -6.648 4.108 4.738) 9.139 3.396 ( -5.454 -1.077 -1.670) 5.805 3.435 ( -5.041 0.796 5.218) 7.299 3.611 ( 0.598 4.740 -1.813) 5.110 3.693 ( -2.295 -0.960 -3.766) 4.514 3.813 ( 1.975 -2.581 -0.194) 3.255 3.956 ( -2.788 2.448 -5.126) 6.328 3.993 ( 5.626 1.049 5.653) 8.044 4.156 ( 0.746 3.867 3.103) 5.014 4.234 ( -3.162 0.387 3.349) 4.622 4.341 ( -9.977 4.639 7.746) 13.456 4.401 ( 3.258 -2.024 5.388) 6.614 4.450 ( 3.837 4.137 6.705) 8.764 4.596 ( 0.208 5.551 2.964) 6.297 4.657 ( -2.338 0.986 4.448) 5.121 4.811 ( 5.544 -1.261 4.976) 7.556 4.935 ( 1.986 2.139 1.021) 3.093 4.947 ( -3.072 -2.006 1.269) 3.882 5.083 ( 0.854 -5.762 5.997) 8.360 5.199 ( 1.047 -0.374 6.218) 6.317 5.325 ( 2.262 0.262 2.863) 3.658 5.476 ( 7.719 -1.101 0.250) 7.801 5.611 ( 3.683 2.822 -2.688) 5.363 5.723 ( 3.552 2.125 0.199) 4.144 5.796 ( 0.081 1.741 1.084) 2.052 5.825 ( 5.533 0.976 6.487) 8.582 5.870 ( -0.728 -2.600 3.725) 4.600 6.018 ( 3.305 0.844 -0.808) 3.505 6.067 ( 0.087 1.007 -1.466) 1.780 6.161 ( 1.547 0.390 -0.649) 1.722 6.193 ( -3.063 1.858 1.732) 3.979 6.506 ( -2.810 1.663 5.716) 6.583 6.625 ( -4.954 2.329 1.892) 5.792 6.983 ( -2.563 0.910 0.233) 2.730 7.066 ( -3.516 3.265 -1.965) 5.185 7.216 ( 1.102 -4.948 0.974) 5.162 7.321 ( -0.686 -5.962 4.435) 7.462 7.489 ( -4.559 -0.163 3.073) 5.500 7.562 ( -5.151 -1.368 4.688) 7.098 7.660 ( 3.350 -2.582 -2.885) 5.120 7.728 ( 3.996 -2.128 -6.422) 7.857 7.792 ( 0.506 -1.679 11.939) 12.067 7.877 ( -0.157 -8.157 2.307) 8.478 8.131 ( 0.971 -5.298 -6.319) 8.303 8.189 ( -4.289 1.394 -0.982) 4.615 8.413 ( -1.408 4.115 -2.061) 4.813 8.487 ( -2.389 6.934 -2.828) 7.861 8.988 ( 3.085 -4.565 10.362) 11.736 9.120 ( 0.256 4.492 13.669) 14.390 9.418 ( -0.162 -4.256 -5.136) 6.672 9.468 ( -3.154 4.884 0.592) 5.844 9.527 ( 5.845 1.471 -4.607) 7.587 9.556 ( -2.821 -0.880 2.544) 3.899 9.828 ( 4.439 -2.255 -6.042) 7.829 9.951 ( -3.722 1.061 -3.351) 5.119 9.987 ( -3.690 1.907 0.376) 4.171 10.022 ( -2.482 -0.726 -4.827) 5.476 10.171 ( 4.753 2.726 -10.625) 11.955 10.339 ( -1.390 2.239 -9.645) 9.998 10.527 ( 2.201 -3.247 0.712) 3.987 10.612 ( -4.650 -1.340 -3.899) 6.215 10.698 ( 6.325 -4.953 -3.844) 8.906 10.776 ( 6.809 -3.509 -3.008) 8.229 11.229 ( -4.294 -4.621 8.830) 10.852 11.313 ( -5.096 -2.991 8.713) 10.528 11.514 ( -0.452 0.516 5.767) 5.808 11.629 ( -3.123 -3.084 5.385) 6.947 11.788 ( 4.434 -0.479 -9.753) 10.724 11.867 ( 1.758 0.896 -10.676) 10.856 11.911 ( 0.116 -0.123 -18.192) 18.193 12.058 ( -2.321 -1.226 -12.169) 12.449 12.708 ( 1.226 -2.263 0.734) 2.676 12.760 ( -1.156 -3.926 -1.962) 4.539 12.938 ( 1.619 2.727 -2.814) 4.240 12.966 ( 0.096 2.249 -3.657) 4.294 13.933 ( -2.426 1.229 -0.828) 2.843 14.001 ( -4.950 2.826 0.109) 5.701 14.137 ( -0.097 0.795 1.809) 1.978 14.190 ( -1.490 2.279 1.332) 3.031 14.331 ( 2.978 -4.340 0.599) 5.297 14.435 ( -1.594 -4.233 0.146) 4.525 14.627 ( 3.820 7.225 2.530) 8.556 14.664 ( 1.774 6.553 2.964) 7.407 14.913 ( -0.596 0.733 1.442) 1.724 14.964 ( -0.470 1.499 2.291) 2.778 15.300 ( -2.747 4.063 1.987) 5.292 15.419 ( -4.312 5.545 2.683) 7.519 15.533 ( -1.851 0.574 3.434) 3.944 15.598 ( -4.709 2.479 -0.191) 5.325 15.975 ( 2.805 -0.692 1.706) 3.355 16.099 ( 0.821 -3.272 0.074) 3.375 16.117 ( -1.181 -1.088 1.532) 2.219 16.199 ( -3.149 -3.386 -3.898) 6.047 16.297 ( 4.778 -2.542 6.679) 8.596 16.416 ( -0.683 -1.104 6.022) 6.160 16.513 ( 1.363 6.750 1.641) 7.079 16.541 ( 0.197 4.278 -0.846) 4.365 16.783 ( 5.962 0.388 -6.614) 8.913 16.860 ( 7.449 -0.510 -8.082) 11.003 17.045 ( 7.849 -0.089 -5.252) 9.444 17.132 ( 2.338 -2.349 -8.346) 8.980 17.284 ( -4.182 -1.202 -1.257) 4.529 17.405 ( -6.236 -3.402 -6.748) 9.797 17.643 ( 7.514 3.769 -3.953) 9.289 17.894 ( -3.564 -0.275 -14.686) 15.115 18.066 ( 3.871 -2.749 -2.554) 5.391 18.136 ( 1.460 -2.724 -7.875) 8.460 19.735 ( 3.118 2.354 3.630) 5.333 19.748 ( 2.175 1.936 3.125) 4.271 20.244 ( -2.497 4.578 6.427) 8.276 20.277 ( -2.792 5.039 5.081) 7.681 21.283 ( 2.390 -3.065 11.266) 11.918 21.403 ( -1.457 -3.801 4.764) 6.266 21.719 ( -2.090 -5.530 9.906) 11.536 21.855 ( -9.732 -7.323 5.419) 13.331 ======================= Grid point 157 (56/80) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -3.185 6.287 8.554) 11.084 2.790 ( 3.185 6.287 8.554) 11.084 2.874 ( -5.839 5.360 2.887) 8.435 2.874 ( 5.839 5.360 2.887) 8.435 3.186 ( -4.939 3.529 -0.102) 6.071 3.186 ( 4.939 3.529 -0.102) 6.071 3.349 ( -1.438 1.381 6.767) 7.055 3.349 ( 1.438 1.381 6.767) 7.055 3.639 ( -2.029 0.569 -1.465) 2.567 3.639 ( 2.029 0.569 -1.465) 2.567 3.884 ( -3.673 0.839 -5.058) 6.307 3.884 ( 3.673 0.839 -5.058) 6.307 4.122 ( -5.624 3.412 5.697) 8.702 4.122 ( 5.624 3.412 5.697) 8.702 4.202 ( -1.107 2.223 3.233) 4.077 4.202 ( 1.107 2.223 3.233) 4.077 4.475 ( -2.355 3.006 -1.395) 4.066 4.475 ( 2.355 3.006 -1.395) 4.066 4.588 ( -4.214 -0.903 5.629) 7.090 4.588 ( 4.214 -0.903 5.629) 7.090 4.907 ( -4.157 -0.839 -0.686) 4.296 4.907 ( 4.157 -0.839 -0.686) 4.296 5.051 ( -4.635 -4.619 8.979) 11.110 5.051 ( 4.635 -4.619 8.979) 11.110 5.278 ( -5.895 1.580 7.535) 9.697 5.278 ( 5.895 1.580 7.535) 9.697 5.603 ( -3.589 1.144 -0.322) 3.780 5.603 ( 3.589 1.144 -0.322) 3.780 5.795 ( -2.584 -0.204 -0.393) 2.621 5.795 ( 2.584 -0.204 -0.393) 2.621 5.845 ( -2.599 0.764 3.182) 4.179 5.845 ( 2.599 0.764 3.182) 4.179 6.055 ( -0.685 1.089 2.487) 2.801 6.055 ( 0.685 1.089 2.487) 2.801 6.181 ( -2.927 1.650 5.142) 6.142 6.181 ( 2.927 1.650 5.142) 6.142 6.526 ( -3.926 3.218 1.046) 5.183 6.526 ( 3.926 3.218 1.046) 5.183 6.976 ( -2.744 3.708 -3.074) 5.543 6.976 ( 2.744 3.708 -3.074) 5.543 7.296 ( -4.245 -5.978 3.910) 8.310 7.296 ( 4.245 -5.978 3.910) 8.310 7.453 ( -3.255 -2.023 4.263) 5.732 7.453 ( 3.255 -2.023 4.263) 5.732 7.726 ( -2.588 -3.892 -0.541) 4.705 7.726 ( 2.588 -3.892 -0.541) 4.705 7.847 ( -2.816 -2.796 3.194) 5.094 7.847 ( 2.816 -2.796 3.194) 5.094 8.140 ( -0.762 -4.292 -5.733) 7.202 8.140 ( 0.762 -4.292 -5.733) 7.202 8.429 ( -2.723 5.242 0.769) 5.956 8.429 ( 2.723 5.242 0.769) 5.956 9.084 ( -4.437 -0.912 11.368) 12.237 9.084 ( 4.437 -0.912 11.368) 12.237 9.395 ( -2.004 0.833 -0.863) 2.335 9.395 ( 2.004 0.833 -0.863) 2.335 9.572 ( -1.296 1.464 -4.043) 4.490 9.572 ( 1.296 1.464 -4.043) 4.490 9.918 ( -2.661 1.655 -3.508) 4.704 9.918 ( 2.661 1.655 -3.508) 4.704 9.953 ( -3.790 -2.371 -3.025) 5.397 9.953 ( 3.790 -2.371 -3.025) 5.397 10.276 ( -4.658 2.573 -12.833) 13.893 10.276 ( 4.658 2.573 -12.833) 13.893 10.543 ( -1.426 -1.211 -0.186) 1.880 10.543 ( 1.426 -1.211 -0.186) 1.880 10.837 ( -3.585 -6.517 -5.438) 9.214 10.837 ( 3.585 -6.517 -5.438) 9.214 11.191 ( -3.612 -0.617 10.812) 11.416 11.191 ( 3.612 -0.617 10.812) 11.416 11.553 ( -3.226 -1.802 6.924) 7.848 11.553 ( 3.226 -1.802 6.924) 7.848 11.860 ( -2.046 1.009 -12.182) 12.393 11.860 ( 2.046 1.009 -12.182) 12.393 11.981 ( -4.651 -1.700 -14.523) 15.344 11.981 ( 4.651 -1.700 -14.523) 15.344 12.735 ( -1.248 -3.818 -0.942) 4.126 12.735 ( 1.248 -3.818 -0.942) 4.126 12.962 ( -0.636 3.581 -2.814) 4.599 12.962 ( 0.636 3.581 -2.814) 4.599 13.926 ( -1.804 2.061 -0.958) 2.902 13.926 ( 1.804 2.061 -0.958) 2.902 14.154 ( -1.528 1.159 1.446) 2.402 14.154 ( 1.528 1.159 1.446) 2.402 14.392 ( -2.573 -4.894 0.418) 5.545 14.392 ( 2.573 -4.894 0.418) 5.545 14.680 ( -0.840 7.013 3.099) 7.713 14.680 ( 0.840 7.013 3.099) 7.713 14.927 ( -2.037 0.029 2.431) 3.172 14.927 ( 2.037 0.029 2.431) 3.172 15.323 ( -4.029 7.262 1.370) 8.417 15.323 ( 4.029 7.262 1.370) 8.417 15.529 ( -1.576 1.054 1.414) 2.365 15.529 ( 1.576 1.054 1.414) 2.365 16.046 ( -3.774 -0.096 -0.185) 3.780 16.046 ( 3.774 -0.096 -0.185) 3.780 16.148 ( -2.419 -4.234 -0.365) 4.890 16.148 ( 2.419 -4.234 -0.365) 4.890 16.374 ( -2.774 -0.727 8.893) 9.344 16.374 ( 2.774 -0.727 8.893) 9.344 16.539 ( -0.680 4.123 2.040) 4.650 16.539 ( 0.680 4.123 2.040) 4.650 16.903 ( -4.229 -0.907 -7.744) 8.870 16.903 ( 4.229 -0.907 -7.744) 8.870 17.123 ( -2.393 -4.083 -6.959) 8.416 17.123 ( 2.393 -4.083 -6.959) 8.416 17.299 ( -3.528 0.204 -7.179) 8.002 17.299 ( 3.528 0.204 -7.179) 8.002 17.796 ( -5.911 2.112 -9.002) 10.974 17.796 ( 5.911 2.112 -9.002) 10.974 18.128 ( -1.933 -2.432 -5.679) 6.473 18.128 ( 1.933 -2.432 -5.679) 6.473 19.775 ( -0.321 2.223 3.599) 4.243 19.775 ( 0.321 2.223 3.599) 4.243 20.228 ( -1.199 4.335 5.665) 7.233 20.228 ( 1.199 4.335 5.665) 7.233 21.349 ( -3.441 -4.589 8.315) 10.102 21.349 ( 3.441 -4.589 8.315) 10.102 21.720 ( -2.869 -4.596 8.478) 10.062 21.720 ( 2.869 -4.596 8.478) 10.062 ======================= Grid point 161 (57/80) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 0.000 19.206 19.389) 27.291 2.751 ( 0.000 12.926 27.695) 30.563 3.107 ( 0.000 -4.892 5.649) 7.473 3.265 ( 0.000 6.800 -10.657) 12.641 3.281 ( 0.000 -10.013 6.869) 12.142 3.425 ( 0.000 -4.009 10.111) 10.877 3.427 ( 0.000 -3.455 9.294) 9.915 3.475 ( 0.000 -0.139 2.463) 2.467 3.578 ( 0.000 8.138 -2.197) 8.429 3.801 ( 0.000 2.773 6.000) 6.609 3.881 ( 0.000 -0.997 -7.997) 8.059 3.967 ( 0.000 2.472 0.674) 2.562 4.025 ( 0.000 10.477 -1.914) 10.651 4.072 ( 0.000 -2.214 -8.407) 8.694 4.213 ( 0.000 -12.132 2.516) 12.390 4.324 ( 0.000 -3.331 -1.703) 3.741 4.480 ( 0.000 12.459 19.310) 22.981 4.628 ( 0.000 -3.350 -2.687) 4.294 4.632 ( 0.000 -6.845 1.312) 6.970 4.886 ( 0.000 5.729 3.482) 6.704 4.912 ( 0.000 3.671 0.067) 3.671 4.997 ( 0.000 9.399 -1.787) 9.567 5.044 ( 0.000 1.566 1.296) 2.033 5.084 ( 0.000 -7.839 2.284) 8.165 5.096 ( 0.000 3.080 18.181) 18.440 5.188 ( 0.000 -3.484 8.283) 8.986 5.390 ( 0.000 7.411 3.472) 8.184 5.514 ( 0.000 7.851 2.598) 8.269 5.623 ( 0.000 2.497 5.344) 5.898 5.679 ( 0.000 1.658 5.071) 5.336 5.694 ( 0.000 4.095 -3.011) 5.082 5.784 ( 0.000 -2.867 5.349) 6.069 5.968 ( 0.000 2.291 -5.605) 6.055 6.113 ( 0.000 -1.899 -8.414) 8.625 6.168 ( 0.000 5.258 -8.841) 10.286 6.267 ( 0.000 0.078 -9.090) 9.090 6.598 ( 0.000 -2.832 6.740) 7.311 6.674 ( 0.000 -5.278 3.374) 6.264 6.897 ( 0.000 -8.722 5.704) 10.422 7.090 ( 0.000 -9.774 1.394) 9.873 7.208 ( 0.000 -2.203 1.512) 2.672 7.222 ( 0.000 -2.021 1.932) 2.796 7.539 ( 0.000 0.124 -4.279) 4.281 7.556 ( 0.000 1.667 -7.832) 8.007 7.621 ( 0.000 -2.407 6.773) 7.188 7.659 ( 0.000 -5.811 4.330) 7.246 7.788 ( 0.000 2.147 -1.453) 2.592 7.935 ( 0.000 -4.182 -7.291) 8.405 8.088 ( 0.000 12.876 7.100) 14.704 8.447 ( 0.000 0.405 -0.621) 0.742 8.528 ( 0.000 -1.186 0.147) 1.195 8.577 ( 0.000 1.027 -1.026) 1.451 9.026 ( 0.000 3.192 -3.130) 4.471 9.142 ( 0.000 -1.725 -4.044) 4.397 9.268 ( 0.000 5.448 10.591) 11.910 9.337 ( 0.000 4.518 0.387) 4.534 9.614 ( 0.000 1.520 11.161) 11.264 9.692 ( 0.000 -4.008 8.459) 9.361 9.846 ( 0.000 -2.582 3.084) 4.022 9.856 ( 0.000 -5.096 1.790) 5.401 9.965 ( 0.000 5.152 -8.040) 9.549 10.150 ( 0.000 0.171 -6.997) 6.999 10.287 ( 0.000 -1.250 -2.357) 2.668 10.291 ( 0.000 -2.419 -2.147) 3.234 10.423 ( 0.000 1.909 -8.730) 8.936 10.439 ( 0.000 0.697 -6.356) 6.394 10.634 ( 0.000 -2.818 -0.923) 2.965 10.644 ( 0.000 -4.827 -4.299) 6.464 11.146 ( 0.000 -2.054 6.832) 7.135 11.269 ( 0.000 -5.632 4.000) 6.908 11.443 ( 0.000 -0.695 -6.705) 6.741 11.675 ( 0.000 -8.063 -6.218) 10.182 11.744 ( 0.000 2.030 -2.597) 3.296 11.751 ( 0.000 0.801 -3.966) 4.047 12.034 ( 0.000 -0.930 -12.525) 12.560 12.055 ( 0.000 -1.424 -10.504) 10.600 12.703 ( 0.000 1.788 1.102) 2.100 12.747 ( 0.000 -1.275 -0.627) 1.420 12.886 ( 0.000 -0.088 -2.198) 2.199 12.909 ( 0.000 -1.396 -2.718) 3.056 14.066 ( 0.000 -0.335 0.844) 0.908 14.098 ( 0.000 -1.708 -0.831) 1.899 14.179 ( 0.000 1.021 3.729) 3.866 14.213 ( 0.000 0.122 1.840) 1.844 14.428 ( 0.000 4.399 0.100) 4.400 14.455 ( 0.000 2.772 -0.777) 2.878 14.633 ( 0.000 4.255 7.283) 8.434 14.743 ( 0.000 1.173 3.604) 3.790 14.960 ( 0.000 4.317 1.446) 4.553 14.998 ( 0.000 2.896 0.088) 2.898 15.447 ( 0.000 -1.081 5.821) 5.921 15.479 ( 0.000 -2.601 11.403) 11.696 15.761 ( 0.000 3.514 -6.154) 7.087 15.810 ( 0.000 1.580 3.822) 4.135 15.980 ( 0.000 -1.248 -1.885) 2.261 16.023 ( 0.000 0.598 -2.277) 2.354 16.030 ( 0.000 -3.964 -4.913) 6.312 16.070 ( 0.000 -4.658 -6.745) 8.197 16.134 ( 0.000 1.579 2.201) 2.709 16.366 ( 0.000 -3.797 -4.400) 5.812 16.614 ( 0.000 6.887 -0.734) 6.926 16.692 ( 0.000 7.212 -5.341) 8.974 16.744 ( 0.000 4.322 -5.090) 6.677 16.755 ( 0.000 3.363 -5.393) 6.356 16.902 ( 0.000 7.470 0.619) 7.496 16.933 ( 0.000 6.631 -1.036) 6.711 17.319 ( 0.000 1.095 10.557) 10.614 17.583 ( 0.000 -7.271 -0.531) 7.290 17.589 ( 0.000 -6.904 0.203) 6.907 17.600 ( 0.000 -8.978 0.038) 8.978 17.953 ( 0.000 -1.232 -16.221) 16.267 17.976 ( 0.000 -1.491 -19.417) 19.474 19.707 ( 0.000 2.928 3.356) 4.454 19.724 ( 0.000 1.543 2.405) 2.858 20.483 ( 0.000 7.182 6.741) 9.850 20.487 ( 0.000 7.173 7.415) 10.317 21.234 ( 0.000 0.854 10.776) 10.810 21.365 ( 0.000 -2.941 3.212) 4.355 21.638 ( 0.000 -7.474 9.893) 12.399 21.855 ( 0.000 -16.720 0.484) 16.727 ======================= Grid point 162 (58/80) ======================= q-point: ( 0.17 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 4.599 16.397 17.954) 24.746 2.817 ( 5.176 14.448 22.744) 27.438 3.043 ( -4.969 -3.900 7.440) 9.759 3.179 ( -1.964 0.868 -7.078) 7.397 3.359 ( -7.479 2.053 0.442) 7.768 3.374 ( 0.606 -6.017 5.472) 8.156 3.406 ( -0.438 -2.319 6.330) 6.756 3.551 ( 8.675 -4.424 6.460) 11.686 3.588 ( 0.804 8.041 -0.597) 8.103 3.738 ( -4.767 4.908 0.778) 6.886 3.886 ( 2.201 -2.669 -3.056) 4.616 3.919 ( -6.132 4.773 -9.233) 12.068 4.008 ( 0.448 -0.331 -1.486) 1.587 4.148 ( 1.767 -0.135 -4.603) 4.932 4.184 ( 0.403 -5.797 6.495) 8.716 4.320 ( -0.247 -2.566 -2.069) 3.305 4.536 ( 4.298 12.831 20.006) 24.152 4.592 ( -5.231 -1.208 3.343) 6.325 4.673 ( 2.742 -3.013 0.443) 4.098 4.798 ( -6.122 2.137 4.280) 7.769 4.847 ( -1.533 -1.317 -0.286) 2.041 4.959 ( -4.477 12.349 10.554) 16.850 5.022 ( -5.063 -2.946 7.430) 9.462 5.077 ( 1.646 5.029 0.205) 5.295 5.157 ( 0.769 -0.999 5.285) 5.433 5.193 ( 6.001 -5.093 1.335) 7.983 5.371 ( -0.633 6.284 1.759) 6.556 5.593 ( 4.565 4.492 3.118) 7.123 5.654 ( 5.746 -0.079 8.700) 10.427 5.734 ( 1.702 1.932 2.001) 3.261 5.770 ( 6.062 2.571 4.166) 7.792 5.846 ( 4.630 -1.336 1.504) 5.048 6.023 ( 4.431 2.514 -2.854) 5.839 6.053 ( -5.672 3.397 -9.701) 11.739 6.109 ( -0.230 -1.477 -6.885) 7.046 6.291 ( -1.333 -0.980 -4.896) 5.168 6.589 ( -0.598 0.470 6.644) 6.688 6.679 ( 0.476 -2.367 3.379) 4.152 6.903 ( 1.020 -7.130 1.557) 7.369 7.097 ( 0.034 -9.334 2.652) 9.703 7.195 ( -1.273 -1.290 1.548) 2.384 7.214 ( -1.018 -0.808 -0.683) 1.468 7.509 ( -1.712 -2.579 0.074) 3.096 7.566 ( 0.737 -0.426 -6.106) 6.165 7.641 ( -2.801 -5.963 4.298) 7.866 7.644 ( 1.020 -1.453 -0.440) 1.828 7.750 ( -2.596 1.512 -2.042) 3.633 7.849 ( -5.493 -0.655 -2.800) 6.201 8.104 ( 0.281 6.484 4.253) 7.759 8.348 ( -7.209 -1.088 -0.379) 7.300 8.508 ( -0.671 2.917 2.363) 3.814 8.622 ( 1.869 -0.388 0.713) 2.037 8.956 ( -4.721 3.778 1.861) 6.326 9.220 ( 4.872 2.090 1.944) 5.647 9.266 ( -1.491 -1.374 3.852) 4.353 9.382 ( 6.389 3.915 -1.077) 7.570 9.599 ( -5.115 -3.374 10.547) 12.198 9.645 ( 0.560 2.123 5.324) 5.759 9.825 ( -2.469 1.482 -1.909) 3.455 9.892 ( 2.328 -3.718 -0.052) 4.386 10.001 ( 2.541 0.545 -3.699) 4.521 10.179 ( -4.117 -1.018 -6.789) 8.005 10.189 ( -0.110 3.498 -5.200) 6.268 10.313 ( 1.844 -2.728 -4.545) 5.613 10.418 ( 1.500 1.828 -5.614) 6.092 10.538 ( 4.989 -2.752 -4.435) 7.220 10.592 ( -1.329 -3.834 -3.027) 5.062 10.641 ( -1.606 -3.723 -4.642) 6.163 11.160 ( 1.004 -1.962 8.432) 8.715 11.266 ( -0.367 -5.161 4.955) 7.164 11.514 ( 5.121 -1.147 -5.506) 7.606 11.623 ( -5.000 -1.284 2.043) 5.552 11.735 ( 1.328 -3.014 -9.840) 10.376 11.765 ( 0.043 -1.502 -6.138) 6.319 11.988 ( -1.852 1.823 -13.164) 13.418 12.074 ( -0.258 -1.195 -10.741) 10.810 12.676 ( -1.511 -0.294 0.053) 1.541 12.727 ( -2.016 -2.249 -1.161) 3.235 12.921 ( 3.396 1.323 -1.979) 4.147 12.957 ( 3.082 0.031 -2.366) 3.886 14.026 ( -2.772 1.195 0.039) 3.018 14.099 ( -1.550 -1.814 0.919) 2.557 14.175 ( -0.404 1.119 3.028) 3.253 14.216 ( 0.567 0.030 2.425) 2.491 14.338 ( -4.201 3.885 -0.717) 5.767 14.441 ( -3.664 -1.048 -0.642) 3.865 14.669 ( 3.713 5.533 5.230) 8.471 14.764 ( 1.248 3.391 3.671) 5.151 14.944 ( -1.021 2.353 0.497) 2.613 15.010 ( 0.381 2.431 2.029) 3.189 15.426 ( -1.533 1.193 5.695) 6.017 15.487 ( 0.632 -1.211 8.457) 8.566 15.690 ( -5.993 5.060 0.039) 7.843 15.756 ( -3.279 2.360 -2.403) 4.700 15.929 ( -0.759 -0.035 -1.211) 1.430 16.026 ( 0.426 -4.240 -0.769) 4.331 16.066 ( 0.759 -1.927 -2.672) 3.380 16.108 ( 2.687 -3.154 2.766) 4.982 16.249 ( 7.358 -1.303 -2.543) 7.893 16.306 ( -4.530 -2.340 -4.849) 7.036 16.622 ( 0.951 6.274 1.344) 6.486 16.707 ( 0.832 6.427 -2.960) 7.125 16.756 ( -0.198 4.354 -1.911) 4.759 16.834 ( 0.134 6.355 -6.952) 9.420 16.856 ( 7.609 1.635 -6.891) 10.395 17.036 ( 4.419 1.098 -1.102) 4.685 17.320 ( -2.222 -2.890 4.097) 5.484 17.401 ( -6.683 -6.749 0.473) 9.510 17.611 ( 3.941 1.164 -3.199) 5.208 17.791 ( 8.090 -6.457 -1.059) 10.405 17.971 ( -0.165 -1.138 -17.146) 17.185 17.999 ( 3.482 -3.109 -12.814) 13.638 19.731 ( 2.177 2.723 3.407) 4.875 19.743 ( 1.809 1.765 2.903) 3.849 20.443 ( -3.419 7.048 7.137) 10.598 20.462 ( -2.415 6.497 6.612) 9.579 21.227 ( -0.564 -0.134 10.284) 10.301 21.351 ( -1.433 -3.848 3.979) 5.718 21.621 ( -1.386 -6.791 9.290) 11.590 21.795 ( -5.018 -13.911 2.748) 15.042 ======================= Grid point 163 (59/80) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 7.816 9.328 11.908) 17.027 2.920 ( 4.088 10.139 5.565) 12.267 2.944 ( -4.370 -0.329 3.915) 5.877 3.142 ( -4.232 -2.402 0.058) 4.867 3.223 ( -1.006 6.926 6.137) 9.309 3.365 ( 0.014 1.778 1.538) 2.351 3.423 ( 0.846 -0.918 3.727) 3.931 3.535 ( -5.042 12.241 0.056) 13.239 3.640 ( -2.801 1.612 -1.834) 3.716 3.720 ( -2.410 -4.184 1.754) 5.137 3.826 ( 4.324 7.783 0.962) 8.956 3.955 ( 2.201 -3.632 1.958) 4.676 4.004 ( 0.934 -1.618 -6.258) 6.531 4.135 ( -0.686 -8.927 1.206) 9.034 4.229 ( 1.306 2.185 0.961) 2.721 4.301 ( -2.236 -1.802 -1.938) 3.464 4.471 ( -2.716 5.334 8.541) 10.430 4.572 ( -0.311 6.377 3.421) 7.243 4.667 ( -5.389 -1.504 4.867) 7.415 4.759 ( -3.187 -0.958 7.013) 7.763 4.849 ( 0.281 9.626 0.726) 9.657 4.862 ( 2.077 0.053 9.454) 9.680 4.939 ( -0.500 -2.314 9.935) 10.213 5.081 ( -2.040 5.128 1.442) 5.704 5.197 ( 3.344 -0.203 7.977) 8.652 5.302 ( 3.187 -3.009 1.168) 4.536 5.460 ( 7.335 0.476 1.717) 7.549 5.641 ( 0.111 -2.915 3.339) 4.434 5.763 ( 1.525 2.305 2.365) 3.638 5.786 ( 5.015 -0.701 6.933) 8.586 5.850 ( -3.083 3.474 -2.760) 5.403 5.895 ( 3.993 2.694 1.683) 5.102 6.029 ( 3.476 0.464 -2.205) 4.142 6.104 ( 0.118 1.614 -1.950) 2.535 6.163 ( 5.675 0.317 1.094) 5.788 6.223 ( -2.858 -0.008 2.238) 3.630 6.578 ( 0.199 5.851 4.590) 7.439 6.683 ( -0.899 3.398 1.516) 3.828 6.953 ( 3.482 -4.438 -0.324) 5.650 7.085 ( -1.062 -7.501 3.212) 8.229 7.167 ( -1.037 0.467 0.090) 1.140 7.170 ( -2.206 -2.557 -2.895) 4.448 7.436 ( -5.373 -3.848 1.555) 6.789 7.497 ( -9.128 -4.617 4.083) 11.014 7.597 ( 1.704 -3.943 -4.635) 6.320 7.658 ( -0.079 -5.663 -2.473) 6.180 7.743 ( 1.698 -0.023 -3.888) 4.242 7.775 ( -1.009 -0.991 -2.978) 3.297 8.095 ( -0.644 1.528 1.881) 2.508 8.204 ( -6.027 -1.125 0.483) 6.150 8.501 ( 0.700 4.764 5.784) 7.526 8.636 ( -1.514 5.857 2.847) 6.686 8.893 ( 0.528 -2.217 12.555) 12.760 9.176 ( -6.882 -3.313 8.986) 11.793 9.331 ( 4.449 -0.107 0.573) 4.487 9.491 ( 0.941 -3.192 1.505) 3.653 9.576 ( 4.275 4.540 0.161) 6.239 9.630 ( -1.412 6.457 -0.053) 6.610 9.796 ( 0.397 -1.383 -5.857) 6.032 9.905 ( -1.062 -4.925 -4.752) 6.925 10.019 ( -1.132 1.597 -0.576) 2.040 10.059 ( -4.025 3.081 -2.420) 5.617 10.246 ( 3.820 4.354 -10.434) 11.934 10.376 ( 0.953 0.308 -11.539) 11.582 10.464 ( 3.579 -1.788 -1.894) 4.426 10.552 ( -1.138 -3.590 -2.355) 4.442 10.597 ( -0.139 -4.515 -5.265) 6.937 10.666 ( 3.771 -6.694 -5.942) 9.713 11.164 ( -0.657 -1.107 10.770) 10.847 11.244 ( -2.226 -3.521 7.881) 8.914 11.517 ( -2.886 -0.059 5.163) 5.916 11.563 ( -1.953 -2.855 3.091) 4.639 11.780 ( 4.917 -0.170 -11.741) 12.730 11.831 ( 4.936 -2.663 -14.514) 15.560 11.955 ( -2.006 2.966 -13.265) 13.740 12.037 ( -3.174 -0.999 -12.190) 12.636 12.657 ( -0.319 -2.151 -1.008) 2.397 12.684 ( -1.681 -3.177 -1.891) 4.062 12.994 ( 2.940 2.552 -2.028) 4.390 13.013 ( 1.953 1.797 -2.333) 3.534 13.968 ( -2.291 1.765 0.539) 2.942 14.022 ( -4.542 -0.581 1.739) 4.898 14.169 ( 0.181 2.022 2.255) 3.035 14.228 ( -0.791 0.696 0.829) 1.341 14.291 ( 0.279 0.535 -0.461) 0.759 14.368 ( -2.485 -2.482 -1.478) 3.811 14.753 ( 3.620 5.021 3.686) 7.204 14.788 ( 1.158 4.820 4.036) 6.392 14.923 ( -0.926 0.632 0.436) 1.203 14.987 ( -2.748 0.117 2.876) 3.980 15.416 ( 1.428 5.710 4.836) 7.618 15.510 ( 1.791 1.199 4.354) 4.859 15.577 ( -4.555 5.777 2.799) 7.871 15.669 ( -4.917 3.896 -0.400) 6.286 15.959 ( 3.036 -0.698 0.106) 3.117 16.031 ( 1.185 -3.216 -0.042) 3.427 16.080 ( 0.204 -1.848 -1.589) 2.446 16.152 ( -3.442 -3.399 0.789) 4.901 16.221 ( 2.160 -1.963 3.240) 4.361 16.341 ( -0.187 -4.949 3.443) 6.031 16.648 ( 1.404 6.596 -0.024) 6.744 16.707 ( -0.994 9.652 -1.354) 9.797 16.794 ( 4.102 0.489 -3.450) 5.382 16.877 ( 3.629 2.185 -7.287) 8.429 16.998 ( 3.465 -4.208 -7.283) 9.097 17.066 ( -1.734 -4.500 -6.363) 7.984 17.257 ( -0.522 -1.280 -1.748) 2.229 17.317 ( -2.752 -4.562 -5.674) 7.783 17.745 ( 7.112 5.761 -4.432) 10.169 17.897 ( 1.028 0.666 -9.864) 9.940 17.993 ( 3.063 -3.929 -6.036) 7.826 18.062 ( 1.724 -4.306 -9.338) 10.426 19.787 ( 2.810 2.468 3.698) 5.259 19.797 ( 2.864 2.326 3.722) 5.241 20.361 ( -3.585 6.004 7.100) 9.965 20.393 ( -3.858 5.225 5.994) 8.838 21.221 ( 0.236 -2.337 9.235) 9.529 21.303 ( -2.949 -5.453 5.731) 8.442 21.596 ( -0.556 -5.243 8.315) 9.845 21.683 ( -4.787 -8.452 6.335) 11.597 ======================= Grid point 164 (60/80) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -5.751 1.350 2.595) 6.453 2.839 ( 5.751 1.350 2.595) 6.453 3.020 ( -5.599 2.871 -0.175) 6.295 3.020 ( 5.599 2.871 -0.175) 6.295 3.319 ( -7.171 8.660 6.945) 13.216 3.319 ( 7.171 8.660 6.945) 13.216 3.429 ( -2.500 8.340 1.943) 8.921 3.429 ( 2.500 8.340 1.943) 8.921 3.640 ( -2.962 -0.315 1.799) 3.480 3.640 ( 2.962 -0.315 1.799) 3.480 3.930 ( -3.364 3.009 -2.092) 4.975 3.930 ( 3.364 3.009 -2.092) 4.975 4.087 ( -4.454 -8.398 1.192) 9.580 4.087 ( 4.454 -8.398 1.192) 9.580 4.248 ( -1.423 2.572 1.376) 3.246 4.248 ( 1.423 2.572 1.376) 3.246 4.531 ( -6.128 2.324 3.996) 7.676 4.531 ( 6.128 2.324 3.996) 7.676 4.612 ( -2.816 2.042 3.847) 5.186 4.612 ( 2.816 2.042 3.847) 5.186 4.915 ( -2.694 -0.081 4.379) 5.142 4.915 ( 2.694 -0.081 4.379) 5.142 4.976 ( -5.939 0.330 6.929) 9.132 4.976 ( 5.939 0.330 6.929) 9.132 5.296 ( -3.820 -0.452 4.811) 6.160 5.296 ( 3.820 -0.452 4.811) 6.160 5.600 ( -4.589 -1.835 2.327) 5.462 5.600 ( 4.589 -1.835 2.327) 5.462 5.784 ( -1.338 1.404 0.254) 1.956 5.784 ( 1.338 1.404 0.254) 1.956 5.895 ( -3.503 2.500 2.870) 5.173 5.895 ( 3.503 2.500 2.870) 5.173 6.079 ( -1.181 0.729 0.283) 1.416 6.079 ( 1.181 0.729 0.283) 1.416 6.224 ( -0.434 2.137 6.231) 6.602 6.224 ( 0.434 2.137 6.231) 6.602 6.626 ( -3.857 7.066 0.524) 8.067 6.626 ( 3.857 7.066 0.524) 8.067 7.025 ( -3.388 -2.451 0.749) 4.248 7.025 ( 3.388 -2.451 0.749) 4.248 7.176 ( -0.708 -3.430 -1.591) 3.847 7.176 ( 0.708 -3.430 -1.591) 3.847 7.352 ( -1.069 -6.152 3.429) 7.124 7.352 ( 1.069 -6.152 3.429) 7.124 7.635 ( -1.775 -5.829 -2.076) 6.437 7.635 ( 1.775 -5.829 -2.076) 6.437 7.775 ( -0.504 -0.899 -5.659) 5.752 7.775 ( 0.504 -0.899 -5.659) 5.752 8.108 ( -2.581 -0.886 0.022) 2.729 8.108 ( 2.581 -0.886 0.022) 2.729 8.558 ( -4.376 7.822 7.512) 11.695 8.558 ( 4.376 7.822 7.512) 11.695 8.999 ( -8.279 -6.924 12.452) 16.478 8.999 ( 8.279 -6.924 12.452) 16.478 9.434 ( -5.191 2.037 2.083) 5.953 9.434 ( 5.191 2.037 2.083) 5.953 9.628 ( -1.703 4.307 -3.355) 5.719 9.628 ( 1.703 4.307 -3.355) 5.719 9.851 ( -3.920 -5.075 -7.021) 9.508 9.851 ( 3.920 -5.075 -7.021) 9.508 10.007 ( -0.947 3.974 -0.855) 4.174 10.007 ( 0.947 3.974 -0.855) 4.174 10.336 ( -3.910 3.502 -12.961) 13.984 10.336 ( 3.910 3.502 -12.961) 13.984 10.514 ( -1.639 -1.399 -1.281) 2.507 10.514 ( 1.639 -1.399 -1.281) 2.507 10.669 ( -3.739 -9.055 -7.195) 12.155 10.669 ( 3.739 -9.055 -7.195) 12.155 11.177 ( -2.738 -0.610 11.203) 11.549 11.177 ( 2.738 -0.610 11.203) 11.549 11.513 ( -1.838 -1.836 6.281) 6.797 11.513 ( 1.838 -1.836 6.281) 6.797 11.888 ( -4.344 1.521 -13.329) 14.102 11.888 ( 4.344 1.521 -13.329) 14.102 11.945 ( -5.335 -1.614 -14.253) 15.304 11.945 ( 5.335 -1.614 -14.253) 15.304 12.660 ( -0.635 -3.018 -1.768) 3.555 12.660 ( 0.635 -3.018 -1.768) 3.555 13.031 ( -0.403 2.741 -2.265) 3.578 13.031 ( 0.403 2.741 -2.265) 3.578 13.954 ( -1.360 0.434 1.241) 1.891 13.954 ( 1.360 0.434 1.241) 1.891 14.190 ( -1.782 2.250 0.792) 2.977 14.190 ( 1.782 2.250 0.792) 2.977 14.325 ( -1.971 -1.931 -0.871) 2.893 14.325 ( 1.971 -1.931 -0.871) 2.893 14.802 ( -0.614 4.791 3.978) 6.257 14.802 ( 0.614 4.791 3.978) 6.257 14.925 ( -1.902 -0.292 1.486) 2.431 14.925 ( 1.902 -0.292 1.486) 2.431 15.484 ( -4.302 6.069 4.744) 8.823 15.484 ( 4.302 6.069 4.744) 8.823 15.569 ( -3.931 3.954 1.311) 5.727 15.569 ( 3.931 3.954 1.311) 5.727 16.038 ( -3.924 -1.379 0.207) 4.164 16.038 ( 3.924 -1.379 0.207) 4.164 16.075 ( -2.085 -2.045 -1.777) 3.418 16.075 ( 2.085 -2.045 -1.777) 3.418 16.293 ( -3.376 -5.351 8.284) 10.424 16.293 ( 3.376 -5.351 8.284) 10.424 16.679 ( -1.501 8.185 -1.379) 8.435 16.679 ( 1.501 8.185 -1.379) 8.435 16.887 ( -3.755 -0.842 -5.300) 6.550 16.887 ( 3.755 -0.842 -5.300) 6.550 17.030 ( -2.104 -4.749 -6.997) 8.714 17.030 ( 2.104 -4.749 -6.997) 8.714 17.276 ( -1.398 -2.045 -7.567) 7.962 17.276 ( 1.398 -2.045 -7.567) 7.962 17.863 ( -3.742 4.351 -7.537) 9.473 17.863 ( 3.742 4.351 -7.537) 9.473 18.058 ( -2.036 -4.276 -6.429) 7.985 18.058 ( 2.036 -4.276 -6.429) 7.985 19.829 ( -0.464 2.638 3.993) 4.808 19.829 ( 0.464 2.638 3.993) 4.808 20.330 ( -1.166 4.758 6.427) 8.081 20.330 ( 1.166 4.758 6.427) 8.081 21.245 ( -2.154 -4.669 7.742) 9.294 21.245 ( 2.154 -4.669 7.742) 9.294 21.610 ( -2.055 -5.254 7.763) 9.596 21.610 ( 2.055 -5.254 7.763) 9.596 ======================= Grid point 168 (61/80) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 0.000 -16.568 10.640) 19.690 2.886 ( 0.000 16.568 10.640) 19.690 3.026 ( 0.000 -13.631 18.300) 22.819 3.026 ( 0.000 13.631 18.300) 22.819 3.344 ( 0.000 -3.235 7.814) 8.457 3.344 ( 0.000 3.235 7.814) 8.457 3.453 ( 0.000 -3.134 0.318) 3.150 3.453 ( 0.000 3.134 0.318) 3.150 3.752 ( 0.000 -7.538 -4.732) 8.900 3.752 ( 0.000 7.538 -4.732) 8.900 3.938 ( 0.000 -6.199 -1.205) 6.315 3.938 ( 0.000 6.199 -1.205) 6.315 4.060 ( 0.000 -1.017 -3.924) 4.053 4.060 ( 0.000 1.017 -3.924) 4.053 4.212 ( 0.000 -7.423 -8.040) 10.942 4.212 ( 0.000 7.423 -8.040) 10.942 4.552 ( 0.000 -0.578 5.957) 5.985 4.552 ( 0.000 0.578 5.957) 5.985 4.816 ( 0.000 -15.229 12.917) 19.969 4.816 ( 0.000 15.229 12.917) 19.969 4.938 ( 0.000 -0.995 -0.409) 1.076 4.938 ( 0.000 0.995 -0.409) 1.076 5.065 ( 0.000 -0.454 3.852) 3.878 5.065 ( 0.000 0.454 3.852) 3.878 5.170 ( 0.000 -1.018 9.071) 9.128 5.170 ( 0.000 1.018 9.071) 9.128 5.589 ( 0.000 -0.963 6.970) 7.036 5.589 ( 0.000 0.963 6.970) 7.036 5.650 ( 0.000 -8.865 4.782) 10.072 5.650 ( 0.000 8.865 4.782) 10.072 5.735 ( 0.000 -1.490 3.192) 3.523 5.735 ( 0.000 1.490 3.192) 3.523 6.045 ( 0.000 -4.563 -9.589) 10.620 6.045 ( 0.000 4.563 -9.589) 10.620 6.269 ( 0.000 -1.860 -7.190) 7.426 6.269 ( 0.000 1.860 -7.190) 7.426 6.569 ( 0.000 -1.740 2.429) 2.988 6.569 ( 0.000 1.740 2.429) 2.988 6.874 ( 0.000 -7.294 0.001) 7.294 6.874 ( 0.000 7.294 0.001) 7.294 7.197 ( 0.000 -0.514 4.426) 4.456 7.197 ( 0.000 0.514 4.426) 4.456 7.565 ( 0.000 -1.777 -5.601) 5.876 7.565 ( 0.000 1.777 -5.601) 5.876 7.592 ( 0.000 -0.160 4.201) 4.204 7.592 ( 0.000 0.160 4.201) 4.204 7.852 ( 0.000 -3.875 -4.587) 6.004 7.852 ( 0.000 3.875 -4.587) 6.004 8.320 ( 0.000 -9.723 3.557) 10.353 8.320 ( 0.000 9.723 3.557) 10.353 8.564 ( 0.000 -1.986 1.784) 2.669 8.564 ( 0.000 1.986 1.784) 2.669 9.089 ( 0.000 -3.022 -5.590) 6.354 9.089 ( 0.000 3.022 -5.590) 6.354 9.399 ( 0.000 -3.152 2.159) 3.821 9.399 ( 0.000 3.152 2.159) 3.821 9.616 ( 0.000 -0.475 14.620) 14.628 9.616 ( 0.000 0.475 14.620) 14.628 9.786 ( 0.000 -0.288 2.735) 2.750 9.786 ( 0.000 0.288 2.735) 2.750 10.109 ( 0.000 -5.431 -6.932) 8.806 10.109 ( 0.000 5.431 -6.932) 8.806 10.258 ( 0.000 -0.228 -1.543) 1.560 10.258 ( 0.000 0.228 -1.543) 1.560 10.443 ( 0.000 -0.202 -9.596) 9.598 10.443 ( 0.000 0.202 -9.596) 9.598 10.596 ( 0.000 -0.331 -2.112) 2.137 10.596 ( 0.000 0.331 -2.112) 2.137 11.167 ( 0.000 -3.734 5.707) 6.820 11.167 ( 0.000 3.734 5.707) 6.820 11.513 ( 0.000 -6.668 -9.882) 11.921 11.513 ( 0.000 6.668 -9.882) 11.921 11.765 ( 0.000 -0.036 -1.835) 1.835 11.765 ( 0.000 0.036 -1.835) 1.835 12.028 ( 0.000 -0.614 -12.048) 12.063 12.028 ( 0.000 0.614 -12.048) 12.063 12.731 ( 0.000 -0.828 0.167) 0.845 12.731 ( 0.000 0.828 0.167) 0.845 12.890 ( 0.000 -0.558 -1.697) 1.787 12.890 ( 0.000 0.558 -1.697) 1.787 14.071 ( 0.000 -0.867 -0.243) 0.900 14.071 ( 0.000 0.867 -0.243) 0.900 14.203 ( 0.000 -1.035 2.954) 3.130 14.203 ( 0.000 1.035 2.954) 3.130 14.480 ( 0.000 -0.618 -0.736) 0.961 14.480 ( 0.000 0.618 -0.736) 0.961 14.708 ( 0.000 -3.179 6.745) 7.456 14.708 ( 0.000 3.179 6.745) 7.456 15.028 ( 0.000 -0.853 2.162) 2.325 15.028 ( 0.000 0.853 2.162) 2.325 15.444 ( 0.000 -0.811 8.028) 8.068 15.444 ( 0.000 0.811 8.028) 8.068 15.819 ( 0.000 -1.116 -1.050) 1.532 15.819 ( 0.000 1.116 -1.050) 1.532 15.966 ( 0.000 -1.850 -9.009) 9.197 15.966 ( 0.000 1.850 -9.009) 9.197 16.016 ( 0.000 -1.567 -1.205) 1.977 16.016 ( 0.000 1.567 -1.205) 1.977 16.247 ( 0.000 -7.100 -0.485) 7.116 16.247 ( 0.000 7.100 -0.485) 7.116 16.742 ( 0.000 -3.902 -1.049) 4.040 16.742 ( 0.000 3.902 -1.049) 4.040 16.784 ( 0.000 -0.479 -6.675) 6.693 16.784 ( 0.000 0.479 -6.675) 6.693 17.007 ( 0.000 -0.980 0.831) 1.285 17.007 ( 0.000 0.980 0.831) 1.285 17.412 ( 0.000 -7.893 4.922) 9.302 17.412 ( 0.000 7.893 4.922) 9.302 17.498 ( 0.000 -0.214 -1.224) 1.242 17.498 ( 0.000 0.214 -1.224) 1.242 17.949 ( 0.000 -0.810 -18.391) 18.409 17.949 ( 0.000 0.810 -18.391) 18.409 19.741 ( 0.000 -0.268 3.044) 3.056 19.741 ( 0.000 0.268 3.044) 3.056 20.571 ( 0.000 -0.174 7.902) 7.904 20.571 ( 0.000 0.174 7.902) 7.904 21.290 ( 0.000 -4.284 7.167) 8.350 21.290 ( 0.000 4.284 7.167) 8.350 21.604 ( 0.000 -6.067 4.780) 7.723 21.604 ( 0.000 6.067 4.780) 7.723 ======================= Grid point 170 (62/80) ======================= q-point: ( 0.17 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -0.827 -13.091 11.462) 17.419 2.866 ( -0.827 13.091 11.462) 17.419 3.088 ( 3.002 -10.001 9.477) 14.102 3.088 ( 3.002 10.001 9.477) 14.102 3.329 ( -1.952 -1.388 8.751) 9.072 3.329 ( -1.952 1.388 8.751) 9.072 3.441 ( 1.851 -3.989 1.821) 4.760 3.441 ( 1.851 3.989 1.821) 4.760 3.767 ( 0.862 -7.851 -1.937) 8.132 3.767 ( 0.862 7.851 -1.937) 8.132 3.904 ( -2.484 -8.978 -5.154) 10.646 3.904 ( -2.484 8.978 -5.154) 10.646 4.025 ( -2.558 -4.779 -2.696) 6.054 4.025 ( -2.558 4.779 -2.696) 6.054 4.242 ( 1.820 -4.465 -6.037) 7.726 4.242 ( 1.820 4.465 -6.037) 7.726 4.603 ( 2.743 -2.618 5.230) 6.460 4.603 ( 2.743 2.618 5.230) 6.460 4.777 ( -5.575 -6.331 5.859) 10.271 4.777 ( -5.575 6.331 5.859) 10.271 4.876 ( -0.824 -8.152 11.336) 13.988 4.876 ( -0.824 8.152 11.336) 13.988 5.111 ( 1.427 -2.672 6.492) 7.164 5.111 ( 1.427 2.672 6.492) 7.164 5.157 ( 1.099 -0.843 2.683) 3.019 5.157 ( 1.099 0.843 2.683) 3.019 5.566 ( -5.102 -8.977 5.905) 11.895 5.566 ( -5.102 8.977 5.905) 11.895 5.673 ( 6.197 -2.931 6.950) 9.762 5.673 ( 6.197 2.931 6.950) 9.762 5.828 ( 6.040 -2.017 0.526) 6.389 5.828 ( 6.040 2.017 0.526) 6.389 6.069 ( 2.157 -1.801 -6.813) 7.370 6.069 ( 2.157 1.801 -6.813) 7.370 6.199 ( -4.766 -8.061 -4.910) 10.573 6.199 ( -4.766 8.061 -4.910) 10.573 6.626 ( 4.196 -2.770 2.972) 5.841 6.626 ( 4.196 2.770 2.972) 5.841 6.883 ( 0.677 -7.122 -1.199) 7.254 6.883 ( 0.677 7.122 -1.199) 7.254 7.201 ( -0.193 -0.576 2.501) 2.574 7.201 ( -0.193 0.576 2.501) 2.574 7.511 ( -2.959 -2.842 -0.025) 4.103 7.511 ( -2.959 2.842 -0.025) 4.103 7.612 ( -0.588 -1.379 -0.975) 1.788 7.612 ( -0.588 1.379 -0.975) 1.788 7.802 ( -3.704 -2.972 -4.864) 6.798 7.802 ( -3.704 2.972 -4.864) 6.798 8.261 ( -4.850 -7.006 3.092) 9.065 8.261 ( -4.850 7.006 3.092) 9.065 8.569 ( 0.775 -3.252 4.707) 5.774 8.569 ( 0.775 3.252 4.707) 5.774 9.092 ( -0.777 -7.919 -2.891) 8.466 9.092 ( -0.777 7.919 -2.891) 8.466 9.391 ( -1.087 -5.555 4.946) 7.517 9.391 ( -1.087 5.555 4.946) 7.517 9.599 ( 1.641 -5.109 6.441) 8.383 9.599 ( 1.641 5.109 6.441) 8.383 9.840 ( 1.577 -2.179 4.239) 5.020 9.840 ( 1.577 2.179 4.239) 5.020 10.088 ( -1.253 -6.221 -6.628) 9.176 10.088 ( -1.253 6.221 -6.628) 9.176 10.262 ( 1.177 -3.236 -4.695) 5.822 10.262 ( 1.177 3.236 -4.695) 5.822 10.466 ( 1.679 -3.304 -8.216) 9.013 10.466 ( 1.679 3.304 -8.216) 9.013 10.577 ( -1.332 -2.043 -2.611) 3.573 10.577 ( -1.332 2.043 -2.611) 3.573 11.178 ( 0.687 -3.141 6.778) 7.502 11.178 ( 0.687 3.141 6.778) 7.502 11.547 ( 1.738 -3.970 -6.511) 7.821 11.547 ( 1.738 3.970 -6.511) 7.821 11.732 ( -1.263 -1.574 -5.376) 5.743 11.732 ( -1.263 1.574 -5.376) 5.743 12.034 ( 0.029 -2.453 -11.817) 12.068 12.034 ( 0.029 2.453 -11.817) 12.068 12.688 ( -2.816 -1.460 -0.663) 3.241 12.688 ( -2.816 1.460 -0.663) 3.241 12.948 ( 4.131 -1.013 -1.545) 4.525 12.948 ( 4.131 1.013 -1.545) 4.525 14.058 ( -1.564 -1.878 0.181) 2.451 14.058 ( -1.564 1.878 0.181) 2.451 14.203 ( 0.084 -1.250 3.197) 3.434 14.203 ( 0.084 1.250 3.197) 3.434 14.404 ( -5.086 -2.567 -0.888) 5.766 14.404 ( -5.086 2.567 -0.888) 5.766 14.758 ( 3.366 -2.921 5.098) 6.771 14.758 ( 3.366 2.921 5.098) 6.771 15.011 ( -1.685 -2.525 2.003) 3.637 15.011 ( -1.685 2.525 2.003) 3.637 15.456 ( 1.189 -1.631 7.660) 7.922 15.456 ( 1.189 1.631 7.660) 7.922 15.771 ( -3.552 -1.650 -1.056) 4.056 15.771 ( -3.552 1.650 -1.056) 4.056 15.951 ( -0.191 -2.700 -1.763) 3.230 15.951 ( -0.191 2.700 -1.763) 3.230 16.055 ( 1.734 -1.280 -4.221) 4.739 16.055 ( 1.734 1.280 -4.221) 4.739 16.258 ( 0.655 -2.269 -0.719) 2.469 16.258 ( 0.655 2.269 -0.719) 2.469 16.732 ( 0.182 -3.342 0.915) 3.470 16.732 ( 0.182 3.342 0.915) 3.470 16.834 ( 3.425 -2.649 -7.266) 8.458 16.834 ( 3.425 2.649 -7.266) 8.458 16.992 ( -1.600 -6.225 -2.873) 7.040 16.992 ( -1.600 6.225 -2.873) 7.040 17.298 ( -4.435 -2.230 2.146) 5.409 17.298 ( -4.435 2.230 2.146) 5.409 17.673 ( 10.007 -4.726 -0.840) 11.099 17.673 ( 10.007 4.726 -0.840) 11.099 17.961 ( 0.958 -0.506 -16.232) 16.268 17.961 ( 0.958 0.506 -16.232) 16.268 19.763 ( 2.028 -0.225 3.349) 3.922 19.763 ( 2.028 0.225 3.349) 3.922 20.534 ( -3.415 -0.598 7.601) 8.354 20.534 ( -3.415 0.598 7.601) 8.354 21.265 ( -2.158 -3.926 7.049) 8.352 21.265 ( -2.158 3.926 7.049) 8.352 21.589 ( -1.258 -4.896 5.656) 7.586 21.589 ( -1.258 4.896 5.656) 7.586 ======================= Grid point 172 (63/80) ======================= q-point: ( 0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -0.101 -6.380 6.508) 9.114 2.858 ( -0.101 6.380 6.508) 9.114 3.075 ( -3.548 -4.097 0.585) 5.451 3.075 ( -3.548 4.097 0.585) 5.451 3.336 ( 4.212 -5.454 4.507) 8.234 3.336 ( 4.212 5.454 4.507) 8.234 3.532 ( 3.289 -9.693 5.828) 11.779 3.532 ( 3.289 9.693 5.828) 11.779 3.773 ( -0.891 -9.320 2.274) 9.635 3.773 ( -0.891 9.320 2.274) 9.635 3.837 ( -1.784 -13.173 -4.862) 14.155 3.837 ( -1.784 13.173 -4.862) 14.155 3.999 ( -0.188 -6.029 0.562) 6.059 3.999 ( -0.188 6.029 0.562) 6.059 4.269 ( 0.738 -2.251 -4.127) 4.758 4.269 ( 0.738 2.251 -4.127) 4.758 4.585 ( -2.989 -5.502 5.935) 8.628 4.585 ( -2.989 5.502 5.935) 8.628 4.680 ( -3.562 -4.510 1.067) 5.845 4.680 ( -3.562 4.510 1.067) 5.845 4.876 ( 0.989 -2.323 13.410) 13.645 4.876 ( 0.989 2.323 13.410) 13.645 5.105 ( -4.090 -7.057 8.552) 11.818 5.105 ( -4.090 7.057 8.552) 11.818 5.216 ( 4.317 -4.232 0.229) 6.049 5.216 ( 4.317 4.232 0.229) 6.049 5.524 ( 2.192 -5.865 4.866) 7.929 5.524 ( 2.192 5.865 4.866) 7.929 5.786 ( 3.617 -0.562 3.562) 5.107 5.786 ( 3.617 0.562 3.562) 5.107 5.925 ( 1.719 -0.816 0.037) 1.904 5.925 ( 1.719 0.816 0.037) 1.904 6.071 ( -1.082 -4.161 -2.203) 4.831 6.071 ( -1.082 4.161 -2.203) 4.831 6.193 ( 4.098 -2.123 1.799) 4.954 6.193 ( 4.098 2.123 1.799) 4.954 6.720 ( 4.623 -4.170 4.773) 7.845 6.720 ( 4.623 4.170 4.773) 7.845 6.889 ( -0.484 -3.885 -3.410) 5.192 6.889 ( -0.484 3.885 -3.410) 5.192 7.178 ( -1.239 -0.414 0.314) 1.343 7.178 ( -1.239 0.414 0.314) 1.343 7.410 ( -7.760 -2.192 0.841) 8.108 7.410 ( -7.760 2.192 0.841) 8.108 7.573 ( -1.460 -1.988 -1.586) 2.932 7.573 ( -1.460 1.988 -1.586) 2.932 7.763 ( 0.418 -1.088 -6.589) 6.692 7.763 ( 0.418 1.088 -6.589) 6.692 8.152 ( -4.769 -3.320 1.717) 6.060 8.152 ( -4.769 3.320 1.717) 6.060 8.613 ( 3.610 -5.630 8.069) 10.480 8.613 ( 3.610 5.630 8.069) 10.480 9.003 ( -7.315 -10.188 8.967) 15.418 9.003 ( -7.315 10.188 8.967) 15.418 9.405 ( 2.865 -4.757 4.216) 6.972 9.405 ( 2.865 4.757 4.216) 6.972 9.682 ( 4.608 -3.872 -4.553) 7.546 9.682 ( 4.608 3.872 -4.553) 7.546 9.799 ( -4.224 -4.089 0.521) 5.902 9.799 ( -4.224 4.089 0.521) 5.902 10.069 ( -0.946 -2.088 -2.230) 3.199 10.069 ( -0.946 2.088 -2.230) 3.199 10.331 ( 4.873 -3.562 -10.914) 12.472 10.331 ( 4.873 3.562 -10.914) 12.472 10.490 ( 0.312 -3.533 -6.334) 7.259 10.490 ( 0.312 3.533 -6.334) 7.259 10.557 ( -0.668 -2.690 -3.950) 4.825 10.557 ( -0.668 2.690 -3.950) 4.825 11.181 ( -0.502 -2.373 9.323) 9.634 11.181 ( -0.502 2.373 9.323) 9.634 11.524 ( -2.680 -1.003 3.371) 4.422 11.524 ( -2.680 1.003 3.371) 4.422 11.789 ( 5.767 -1.236 -13.574) 14.800 11.789 ( 5.767 1.236 -13.574) 14.800 12.008 ( -2.783 -2.051 -12.502) 12.971 12.008 ( -2.783 2.051 -12.502) 12.971 12.641 ( -1.430 -0.803 -1.606) 2.296 12.641 ( -1.430 0.803 -1.606) 2.296 13.027 ( 2.970 -0.496 -1.904) 3.563 13.027 ( 2.970 0.496 -1.904) 3.563 13.999 ( -3.460 -1.380 1.789) 4.133 13.999 ( -3.460 1.380 1.789) 4.133 14.211 ( 0.667 -1.847 1.643) 2.560 14.211 ( 0.667 1.847 1.643) 2.560 14.325 ( -2.167 -1.994 -1.530) 3.318 14.325 ( -2.167 1.994 -1.530) 3.318 14.822 ( 2.614 -1.473 4.080) 5.065 14.822 ( 2.614 1.473 4.080) 5.065 14.960 ( -2.855 -2.513 1.583) 4.120 14.960 ( -2.855 2.513 1.583) 4.120 15.494 ( 2.250 -2.184 5.899) 6.681 15.494 ( 2.250 2.184 5.899) 6.681 15.696 ( -3.373 -2.944 2.427) 5.092 15.696 ( -3.373 2.944 2.427) 5.092 15.967 ( 1.839 -2.300 -0.715) 3.030 15.967 ( 1.839 2.300 -0.715) 3.030 16.076 ( 0.220 -1.902 -1.582) 2.484 16.076 ( 0.220 1.902 -1.582) 2.484 16.249 ( -1.546 -3.529 1.939) 4.314 16.249 ( -1.546 3.529 1.939) 4.314 16.762 ( 2.559 -3.687 0.083) 4.489 16.762 ( 2.559 3.687 0.083) 4.489 16.886 ( -0.185 -6.332 -4.753) 7.920 16.886 ( -0.185 6.332 -4.753) 7.920 16.956 ( -0.316 -5.109 -7.024) 8.691 16.956 ( -0.316 5.109 -7.024) 8.691 17.251 ( -0.606 -1.427 -3.991) 4.281 17.251 ( -0.606 1.427 -3.991) 4.281 17.860 ( 7.121 -5.024 -3.415) 9.360 17.860 ( 7.121 5.024 -3.415) 9.360 17.979 ( 0.453 -3.130 -11.515) 11.941 17.979 ( 0.453 3.130 -11.515) 11.941 19.820 ( 3.024 -0.374 3.970) 5.004 19.820 ( 3.024 0.374 3.970) 5.004 20.443 ( -4.566 -1.033 7.160) 8.555 20.443 ( -4.566 1.033 7.160) 8.555 21.216 ( -2.052 -2.301 7.031) 7.677 21.216 ( -2.052 2.301 7.031) 7.677 21.561 ( -1.111 -2.512 6.969) 7.491 21.561 ( -1.111 2.512 6.969) 7.491 ======================= Grid point 174 (64/80) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 0.000 0.000 1.062) 1.062 2.858 ( 0.000 0.000 1.062) 1.062 3.023 ( 0.000 0.000 2.029) 2.029 3.023 ( 0.000 0.000 2.029) 2.029 3.448 ( -0.000 0.000 5.467) 5.467 3.448 ( 0.000 0.000 5.467) 5.467 3.496 ( 0.000 -0.000 -3.834) 3.834 3.496 ( 0.000 0.000 -3.834) 3.834 3.770 ( 0.000 0.000 2.296) 2.296 3.770 ( -0.000 0.000 2.296) 2.296 3.836 ( 0.000 -0.000 3.951) 3.951 3.836 ( 0.000 0.000 3.951) 3.951 3.995 ( 0.000 0.000 2.511) 2.511 3.995 ( 0.000 0.000 2.511) 2.511 4.276 ( 0.000 0.000 -3.404) 3.404 4.276 ( 0.000 0.000 -3.404) 3.404 4.553 ( 0.000 -0.000 6.671) 6.671 4.553 ( 0.000 0.000 6.671) 6.671 4.635 ( 0.000 0.000 0.871) 0.871 4.635 ( 0.000 0.000 0.871) 0.871 4.893 ( 0.000 0.000 11.279) 11.279 4.893 ( 0.000 0.000 11.279) 11.279 5.032 ( -0.000 0.000 6.908) 6.908 5.032 ( 0.000 0.000 6.908) 6.908 5.271 ( 0.000 0.000 -0.435) 0.435 5.271 ( 0.000 0.000 -0.435) 0.435 5.573 ( 0.000 0.000 4.187) 4.187 5.573 ( 0.000 0.000 4.187) 4.187 5.823 ( 0.000 0.000 0.808) 0.808 5.823 ( 0.000 0.000 0.808) 0.808 5.915 ( 0.000 0.000 2.019) 2.019 5.915 ( 0.000 0.000 2.019) 2.019 6.081 ( 0.000 0.000 -0.079) 0.079 6.081 ( 0.000 0.000 -0.079) 0.079 6.250 ( 0.000 0.000 6.743) 6.743 6.250 ( 0.000 0.000 6.743) 6.743 6.791 ( 0.000 -0.000 5.765) 5.765 6.791 ( -0.000 0.000 5.765) 5.765 6.869 ( 0.000 -0.000 -4.399) 4.399 6.869 ( 0.000 0.000 -4.399) 4.399 7.184 ( 0.000 0.000 -2.160) 2.160 7.184 ( 0.000 0.000 -2.160) 2.160 7.275 ( 0.000 -0.000 1.661) 1.661 7.275 ( 0.000 0.000 1.661) 1.661 7.561 ( 0.000 0.000 -1.262) 1.262 7.561 ( 0.000 0.000 -1.262) 1.262 7.779 ( 0.000 0.000 -8.039) 8.039 7.779 ( 0.000 0.000 -8.039) 8.039 8.094 ( 0.000 0.000 0.668) 0.668 8.094 ( 0.000 0.000 0.668) 0.668 8.683 ( -0.000 0.000 6.040) 6.040 8.683 ( 0.000 0.000 6.040) 6.040 8.884 ( 0.000 -0.000 17.832) 17.832 8.884 ( 0.000 0.000 17.832) 17.832 9.454 ( 0.000 0.000 2.858) 2.858 9.454 ( 0.000 0.000 2.858) 2.858 9.734 ( -0.000 -0.000 -1.351) 1.351 9.734 ( -0.000 0.000 -1.351) 1.351 9.741 ( 0.000 -0.000 -7.696) 7.696 9.741 ( 0.000 0.000 -7.696) 7.696 10.055 ( 0.000 0.000 -1.352) 1.352 10.055 ( 0.000 0.000 -1.352) 1.352 10.404 ( 0.000 -0.000 -14.856) 14.856 10.404 ( 0.000 0.000 -14.856) 14.856 10.487 ( 0.000 -0.000 -5.345) 5.345 10.487 ( 0.000 -0.000 -5.345) 5.345 10.545 ( -0.000 -0.000 -3.830) 3.830 10.545 ( -0.000 0.000 -3.830) 3.830 11.170 ( 0.000 0.000 11.328) 11.328 11.170 ( 0.000 0.000 11.328) 11.328 11.492 ( 0.000 0.000 5.961) 5.961 11.492 ( 0.000 0.000 5.961) 5.961 11.913 ( -0.000 0.000 -18.348) 18.348 11.913 ( 0.000 0.000 -18.348) 18.348 11.921 ( -0.000 -0.000 -9.518) 9.518 11.921 ( 0.000 -0.000 -9.518) 9.518 12.627 ( 0.000 0.000 -2.007) 2.007 12.627 ( 0.000 0.000 -2.007) 2.007 13.060 ( 0.000 0.000 -2.149) 2.149 13.060 ( 0.000 0.000 -2.149) 2.149 13.955 ( 0.000 0.000 2.270) 2.270 13.955 ( 0.000 0.000 2.270) 2.270 14.221 ( 0.000 0.000 0.067) 0.067 14.221 ( 0.000 0.000 0.067) 0.067 14.304 ( 0.000 -0.000 -0.872) 0.872 14.304 ( 0.000 0.000 -0.872) 0.872 14.859 ( 0.000 0.000 5.010) 5.010 14.859 ( 0.000 0.000 5.010) 5.010 14.917 ( 0.000 0.000 0.314) 0.314 14.917 ( 0.000 0.000 0.314) 0.314 15.529 ( 0.000 0.000 3.733) 3.733 15.529 ( 0.000 0.000 3.733) 3.733 15.649 ( -0.000 0.000 5.264) 5.264 15.649 ( 0.000 0.000 5.264) 5.264 16.003 ( 0.000 0.000 -0.585) 0.585 16.003 ( 0.000 0.000 -0.585) 0.585 16.068 ( 0.000 0.000 -1.944) 1.944 16.068 ( 0.000 0.000 -1.944) 1.944 16.224 ( 0.000 0.000 5.636) 5.636 16.224 ( 0.000 0.000 5.636) 5.636 16.822 ( 0.000 -0.000 2.182) 2.182 16.822 ( -0.000 0.000 2.182) 2.182 16.838 ( -0.000 -0.000 -7.861) 7.861 16.838 ( 0.000 0.000 -7.861) 7.861 16.970 ( 0.000 0.000 -6.885) 6.885 16.970 ( 0.000 0.000 -6.885) 6.885 17.248 ( 0.000 0.000 -7.692) 7.692 17.248 ( 0.000 0.000 -7.692) 7.692 17.958 ( -0.000 -0.000 -6.289) 6.289 17.958 ( -0.000 0.000 -6.289) 6.289 17.965 ( 0.000 -0.000 -7.625) 7.625 17.965 ( 0.000 0.000 -7.625) 7.625 19.860 ( 0.000 0.000 4.262) 4.262 19.860 ( 0.000 0.000 4.262) 4.262 20.384 ( 0.000 0.000 7.060) 7.060 20.384 ( 0.000 0.000 7.060) 7.060 21.193 ( 0.000 0.000 7.075) 7.075 21.193 ( 0.000 0.000 7.075) 7.075 21.549 ( 0.000 0.000 7.451) 7.451 21.549 ( 0.000 0.000 7.451) 7.451 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 0.000 0.000 -26.243) 26.243 2.584 ( 0.000 0.000 26.243) 26.243 3.126 ( 0.000 0.000 -28.232) 28.232 3.126 ( 0.000 0.000 28.232) 28.232 3.322 ( 0.000 0.000 -7.972) 7.972 3.322 ( 0.000 0.000 7.972) 7.972 3.455 ( 0.000 0.000 -5.353) 5.353 3.455 ( 0.000 0.000 5.353) 5.353 3.718 ( 0.000 0.000 -8.127) 8.127 3.718 ( 0.000 0.000 8.127) 8.127 3.882 ( 0.000 0.000 -4.641) 4.641 3.882 ( 0.000 0.000 4.641) 4.641 4.081 ( 0.000 0.000 -5.867) 5.867 4.081 ( 0.000 0.000 5.867) 5.867 4.346 ( 0.000 0.000 -6.748) 6.748 4.346 ( 0.000 0.000 6.748) 6.748 4.493 ( 0.000 0.000 -8.055) 8.055 4.493 ( 0.000 0.000 8.055) 8.055 4.848 ( 0.000 0.000 -3.048) 3.048 4.848 ( 0.000 0.000 3.048) 3.048 4.891 ( 0.000 0.000 -17.733) 17.733 4.891 ( 0.000 0.000 17.733) 17.733 5.014 ( 0.000 0.000 -8.585) 8.585 5.014 ( 0.000 0.000 8.585) 8.585 5.142 ( 0.000 0.000 -3.491) 3.491 5.142 ( 0.000 0.000 3.491) 3.491 5.321 ( 0.000 0.000 -2.737) 2.737 5.321 ( 0.000 0.000 2.737) 2.737 5.679 ( 0.000 0.000 -1.363) 1.363 5.679 ( 0.000 0.000 1.363) 1.363 5.719 ( 0.000 0.000 -9.468) 9.468 5.719 ( 0.000 0.000 9.468) 9.468 5.995 ( 0.000 0.000 -4.182) 4.182 5.995 ( 0.000 0.000 4.182) 4.182 6.064 ( 0.000 0.000 -10.350) 10.350 6.064 ( 0.000 0.000 10.350) 10.350 6.785 ( 0.000 0.000 -2.319) 2.319 6.785 ( 0.000 0.000 2.319) 2.319 7.192 ( 0.000 0.000 -0.433) 0.433 7.192 ( 0.000 0.000 0.433) 0.433 7.453 ( 0.000 0.000 -8.773) 8.773 7.453 ( 0.000 0.000 8.773) 8.773 7.454 ( 0.000 0.000 -1.419) 1.419 7.454 ( 0.000 0.000 1.419) 1.419 7.813 ( 0.000 0.000 -13.808) 13.808 7.813 ( 0.000 0.000 13.808) 13.808 7.823 ( 0.000 0.000 -7.301) 7.301 7.823 ( 0.000 0.000 7.301) 7.301 8.197 ( 0.000 0.000 -22.767) 22.767 8.197 ( 0.000 0.000 22.767) 22.767 8.339 ( 0.000 0.000 -7.775) 7.775 8.339 ( 0.000 0.000 7.775) 7.775 9.125 ( 0.000 0.000 -4.823) 4.823 9.125 ( 0.000 0.000 4.823) 4.823 9.296 ( 0.000 0.000 -2.139) 2.139 9.296 ( 0.000 0.000 2.139) 2.139 9.677 ( 0.000 0.000 -9.073) 9.073 9.677 ( 0.000 0.000 9.073) 9.073 9.832 ( 0.000 0.000 -6.929) 6.929 9.832 ( 0.000 0.000 6.929) 6.929 10.064 ( 0.000 0.000 -10.581) 10.581 10.064 ( 0.000 0.000 10.581) 10.581 10.187 ( 0.000 0.000 -5.565) 5.565 10.187 ( 0.000 0.000 5.565) 5.565 10.435 ( 0.000 0.000 -1.653) 1.653 10.435 ( 0.000 0.000 1.653) 1.653 10.715 ( 0.000 0.000 -0.372) 0.372 10.715 ( 0.000 0.000 0.372) 0.372 11.445 ( 0.000 0.000 -6.398) 6.398 11.445 ( 0.000 0.000 6.398) 6.398 11.639 ( 0.000 0.000 -5.843) 5.843 11.639 ( 0.000 0.000 5.843) 5.843 11.739 ( 0.000 0.000 -9.922) 9.922 11.739 ( 0.000 0.000 9.922) 9.922 11.912 ( 0.000 0.000 -2.479) 2.479 11.912 ( 0.000 0.000 2.479) 2.479 12.762 ( 0.000 0.000 -4.694) 4.694 12.762 ( 0.000 0.000 4.694) 4.694 12.877 ( 0.000 0.000 -3.191) 3.191 12.877 ( 0.000 0.000 3.191) 3.191 14.147 ( 0.000 0.000 -0.687) 0.687 14.147 ( 0.000 0.000 0.687) 0.687 14.182 ( 0.000 0.000 -0.287) 0.287 14.182 ( 0.000 0.000 0.287) 0.287 14.319 ( 0.000 0.000 -1.244) 1.244 14.319 ( 0.000 0.000 1.244) 1.244 14.488 ( 0.000 0.000 -1.441) 1.441 14.488 ( 0.000 0.000 1.441) 1.441 14.940 ( 0.000 0.000 -0.717) 0.717 14.940 ( 0.000 0.000 0.717) 0.717 15.625 ( 0.000 0.000 -1.763) 1.763 15.625 ( 0.000 0.000 1.763) 1.763 15.719 ( 0.000 0.000 -2.390) 2.390 15.719 ( 0.000 0.000 2.390) 2.390 16.045 ( 0.000 0.000 -6.010) 6.010 16.045 ( 0.000 0.000 6.010) 6.010 16.130 ( 0.000 0.000 -5.423) 5.423 16.130 ( 0.000 0.000 5.423) 5.423 16.287 ( 0.000 0.000 -2.339) 2.339 16.287 ( 0.000 0.000 2.339) 2.339 16.405 ( 0.000 0.000 -0.869) 0.869 16.405 ( 0.000 0.000 0.869) 0.869 16.600 ( 0.000 0.000 -1.548) 1.548 16.600 ( 0.000 0.000 1.548) 1.548 16.628 ( 0.000 0.000 -0.186) 0.186 16.628 ( 0.000 0.000 0.186) 0.186 17.611 ( 0.000 0.000 -15.121) 15.121 17.611 ( 0.000 0.000 15.121) 15.121 17.798 ( 0.000 0.000 -2.009) 2.009 17.798 ( 0.000 0.000 2.009) 2.009 17.850 ( 0.000 0.000 -4.203) 4.203 17.850 ( 0.000 0.000 4.203) 4.203 19.670 ( 0.000 0.000 -1.916) 1.916 19.670 ( 0.000 0.000 1.916) 1.916 20.335 ( 0.000 0.000 -0.184) 0.184 20.335 ( 0.000 0.000 0.184) 0.184 21.429 ( 0.000 0.000 -4.637) 4.637 21.429 ( 0.000 0.000 4.637) 4.637 22.134 ( 0.000 0.000 -12.822) 12.822 22.134 ( 0.000 0.000 12.822) 12.822 ======================= Grid point 198 (66/80) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 4.222 0.000 -22.792) 23.180 2.632 ( 4.222 0.000 22.792) 23.180 3.079 ( -3.655 0.000 -25.863) 26.120 3.079 ( -3.655 0.000 25.863) 26.120 3.235 ( -6.615 0.000 -6.823) 9.503 3.235 ( -6.615 0.000 6.823) 9.503 3.485 ( 1.035 0.000 -4.220) 4.345 3.485 ( 1.035 0.000 4.220) 4.345 3.660 ( -3.699 0.000 -5.919) 6.980 3.660 ( -3.699 0.000 5.919) 6.980 3.908 ( 0.247 0.000 -3.958) 3.965 3.908 ( 0.247 0.000 3.958) 3.965 4.067 ( -0.374 0.000 -4.890) 4.904 4.067 ( -0.374 0.000 4.890) 4.904 4.283 ( -3.354 0.000 -0.985) 3.496 4.283 ( -3.354 0.000 0.985) 3.496 4.591 ( 5.483 0.000 -0.242) 5.489 4.591 ( 5.483 0.000 0.242) 5.489 4.714 ( -10.025 0.000 -0.048) 10.025 4.714 ( -10.025 0.000 0.048) 10.025 4.867 ( -2.008 0.000 -8.378) 8.615 4.867 ( -2.008 0.000 8.378) 8.615 5.032 ( 5.757 0.000 -7.682) 9.600 5.032 ( 5.757 0.000 7.682) 9.600 5.262 ( 1.106 0.000 -0.478) 1.205 5.262 ( 1.106 0.000 0.478) 1.205 5.342 ( 7.624 0.000 -0.181) 7.626 5.342 ( 7.624 0.000 0.181) 7.626 5.661 ( 1.415 0.000 -2.501) 2.874 5.661 ( 1.415 0.000 2.501) 2.874 5.873 ( 7.189 0.000 -0.157) 7.191 5.873 ( 7.189 0.000 0.157) 7.191 5.948 ( 0.361 0.000 -6.917) 6.926 5.948 ( 0.361 0.000 6.917) 6.926 6.124 ( 2.730 0.000 -6.305) 6.871 6.124 ( 2.730 0.000 6.305) 6.871 6.728 ( -5.178 0.000 -2.757) 5.866 6.728 ( -5.178 0.000 2.757) 5.866 7.112 ( -6.519 0.000 -0.212) 6.522 7.112 ( -6.519 0.000 0.212) 6.522 7.381 ( -3.563 0.000 -5.141) 6.255 7.381 ( -3.563 0.000 5.141) 6.255 7.531 ( 3.984 0.000 -0.920) 4.089 7.531 ( 3.984 0.000 0.920) 4.089 7.721 ( -1.839 0.000 -4.922) 5.255 7.721 ( -1.839 0.000 4.922) 5.255 7.980 ( 7.055 0.000 -0.627) 7.083 7.980 ( 7.055 0.000 0.627) 7.083 8.172 ( -2.108 0.000 -20.131) 20.241 8.172 ( -2.108 0.000 20.131) 20.241 8.285 ( -4.298 0.000 -4.309) 6.086 8.285 ( -4.298 0.000 4.309) 6.086 9.188 ( 4.456 0.000 -0.299) 4.466 9.188 ( 4.456 0.000 0.299) 4.466 9.316 ( 2.220 0.000 -0.396) 2.255 9.316 ( 2.220 0.000 0.396) 2.255 9.607 ( -5.206 0.000 -7.004) 8.727 9.607 ( -5.206 0.000 7.004) 8.727 9.854 ( 0.159 0.000 -7.698) 7.700 9.854 ( 0.159 0.000 7.698) 7.700 9.990 ( -2.943 0.000 -1.152) 3.161 9.990 ( -2.943 0.000 1.152) 3.161 10.186 ( -2.207 0.000 -8.126) 8.420 10.186 ( -2.207 0.000 8.126) 8.420 10.513 ( 6.362 0.000 -0.097) 6.363 10.513 ( 6.362 0.000 0.097) 6.363 10.701 ( -0.898 0.000 -0.774) 1.186 10.701 ( -0.898 0.000 0.774) 1.186 11.502 ( 4.940 0.000 -7.938) 9.350 11.502 ( 4.940 0.000 7.938) 9.350 11.632 ( -0.919 0.000 -8.681) 8.729 11.632 ( -0.919 0.000 8.681) 8.729 11.678 ( -5.390 0.000 -7.752) 9.442 11.678 ( -5.390 0.000 7.752) 9.442 11.896 ( -1.294 0.000 -7.748) 7.855 11.896 ( -1.294 0.000 7.748) 7.855 12.768 ( 0.553 0.000 -4.167) 4.204 12.768 ( 0.553 0.000 4.167) 4.204 12.873 ( -0.249 0.000 -2.397) 2.410 12.873 ( -0.249 0.000 2.397) 2.410 14.052 ( -6.556 0.000 -0.015) 6.556 14.052 ( -6.556 0.000 0.015) 6.556 14.175 ( -0.463 0.000 -0.135) 0.482 14.175 ( -0.463 0.000 0.135) 0.482 14.386 ( 4.289 0.000 -0.758) 4.356 14.386 ( 4.289 0.000 0.758) 4.356 14.517 ( 2.307 0.000 -0.689) 2.407 14.517 ( 2.307 0.000 0.689) 2.407 14.936 ( -0.206 0.000 -1.129) 1.148 14.936 ( -0.206 0.000 1.129) 1.148 15.504 ( -8.899 0.000 -2.480) 9.238 15.504 ( -8.899 0.000 2.480) 9.238 15.657 ( -4.084 0.000 -2.391) 4.732 15.657 ( -4.084 0.000 2.391) 4.732 16.068 ( 1.676 0.000 -7.988) 8.162 16.068 ( 1.676 0.000 7.988) 8.162 16.193 ( -4.798 0.000 -0.531) 4.827 16.193 ( -4.798 0.000 0.531) 4.827 16.310 ( 10.241 0.000 -4.208) 11.072 16.310 ( 10.241 0.000 4.208) 11.072 16.427 ( 2.782 0.000 -1.664) 3.242 16.427 ( 2.782 0.000 1.664) 3.242 16.594 ( 2.892 0.000 -0.373) 2.916 16.594 ( 2.892 0.000 0.373) 2.916 16.825 ( 11.889 0.000 -3.434) 12.375 16.825 ( 11.889 0.000 3.434) 12.375 17.531 ( -8.910 0.000 -6.776) 11.194 17.531 ( -8.910 0.000 6.776) 11.194 17.665 ( -2.939 0.000 -11.027) 11.412 17.665 ( -2.939 0.000 11.027) 11.412 18.003 ( 6.506 0.000 -2.050) 6.821 18.003 ( 6.506 0.000 2.050) 6.821 19.694 ( 2.198 0.000 -1.420) 2.617 19.694 ( 2.198 0.000 1.420) 2.617 20.312 ( -1.989 0.000 -0.064) 1.990 20.312 ( -1.989 0.000 0.064) 1.990 21.437 ( 0.794 0.000 -4.289) 4.362 21.437 ( 0.794 0.000 4.289) 4.362 22.068 ( -5.708 0.000 -10.107) 11.607 22.068 ( -5.708 0.000 10.107) 11.607 ======================= Grid point 200 (67/80) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 5.200 0.000 -12.975) 13.978 2.739 ( 5.200 0.000 12.975) 13.978 3.012 ( -2.122 0.000 -16.600) 16.735 3.012 ( -2.122 0.000 16.600) 16.735 3.090 ( -6.361 0.000 -3.811) 7.416 3.090 ( -6.361 0.000 3.811) 7.416 3.471 ( -1.394 0.000 -0.618) 1.525 3.471 ( -1.394 0.000 0.618) 1.525 3.598 ( -2.727 0.000 -7.616) 8.090 3.598 ( -2.727 0.000 7.616) 8.090 3.865 ( -3.223 0.000 -0.686) 3.295 3.865 ( -3.223 0.000 0.686) 3.295 4.092 ( 2.516 0.000 -2.200) 3.342 4.092 ( 2.516 0.000 2.200) 3.342 4.235 ( -1.918 0.000 -2.216) 2.931 4.235 ( -1.918 0.000 2.216) 2.931 4.478 ( -6.930 0.000 -2.957) 7.535 4.478 ( -6.930 0.000 2.957) 7.535 4.697 ( -1.197 0.000 -2.559) 2.825 4.697 ( -1.197 0.000 2.559) 2.825 4.859 ( 2.781 0.000 -0.043) 2.781 4.859 ( 2.781 0.000 0.043) 2.781 5.150 ( 4.962 0.000 -7.924) 9.349 5.150 ( 4.962 0.000 7.924) 9.349 5.315 ( 3.687 0.000 -2.834) 4.650 5.315 ( 3.687 0.000 2.834) 4.650 5.524 ( 7.778 0.000 -0.588) 7.801 5.524 ( 7.778 0.000 0.588) 7.801 5.674 ( 0.169 0.000 -2.318) 2.324 5.674 ( 0.169 0.000 2.318) 2.324 5.905 ( -0.863 0.000 -3.239) 3.352 5.905 ( -0.863 0.000 3.239) 3.352 6.088 ( 6.889 0.000 -2.410) 7.298 6.088 ( 6.889 0.000 2.410) 7.298 6.164 ( 2.088 0.000 -0.286) 2.107 6.164 ( 2.088 0.000 0.286) 2.107 6.593 ( -6.474 0.000 -2.791) 7.050 6.593 ( -6.474 0.000 2.791) 7.050 6.955 ( -7.290 0.000 -1.624) 7.469 6.955 ( -7.290 0.000 1.624) 7.469 7.364 ( 2.517 0.000 -0.829) 2.650 7.364 ( 2.517 0.000 0.829) 2.650 7.561 ( -1.936 0.000 -2.123) 2.873 7.561 ( -1.936 0.000 2.123) 2.873 7.741 ( 3.073 0.000 -0.532) 3.118 7.741 ( 3.073 0.000 0.532) 3.118 8.044 ( -1.493 0.000 -0.043) 1.494 8.044 ( -1.493 0.000 0.043) 1.494 8.132 ( -2.097 0.000 -7.774) 8.052 8.132 ( -2.097 0.000 7.774) 8.052 8.229 ( 0.875 0.000 -3.534) 3.640 8.229 ( 0.875 0.000 3.534) 3.640 9.257 ( 2.291 0.000 -9.893) 10.155 9.257 ( 2.291 0.000 9.893) 10.155 9.374 ( 1.556 0.000 -9.832) 9.954 9.374 ( 1.556 0.000 9.832) 9.954 9.497 ( -4.588 0.000 -4.430) 6.378 9.497 ( -4.588 0.000 4.430) 6.378 9.846 ( 1.695 0.000 -0.877) 1.908 9.846 ( 1.695 0.000 0.877) 1.908 9.987 ( 1.053 0.000 -2.786) 2.979 9.987 ( 1.053 0.000 2.786) 2.979 10.107 ( -4.806 0.000 -9.107) 10.297 10.107 ( -4.806 0.000 9.107) 10.297 10.580 ( -1.212 0.000 -0.032) 1.212 10.580 ( -1.212 0.000 0.032) 1.212 10.757 ( 6.804 0.000 -1.472) 6.961 10.757 ( 6.804 0.000 1.472) 6.961 11.485 ( -9.205 0.000 -7.378) 11.797 11.485 ( -9.205 0.000 7.378) 11.797 11.633 ( 4.450 0.000 -7.296) 8.546 11.633 ( 4.450 0.000 7.296) 8.546 11.650 ( 2.439 0.000 -2.099) 3.218 11.650 ( 2.439 0.000 2.099) 3.218 11.856 ( -2.811 0.000 -10.400) 10.774 11.856 ( -2.811 0.000 10.400) 10.774 12.783 ( 0.684 0.000 -2.440) 2.534 12.783 ( 0.684 0.000 2.440) 2.534 12.871 ( 0.002 0.000 -1.073) 1.073 12.871 ( 0.002 0.000 1.073) 1.073 13.930 ( -4.405 0.000 -0.084) 4.405 13.930 ( -4.405 0.000 0.084) 4.405 14.163 ( -0.571 0.000 -0.307) 0.648 14.163 ( -0.571 0.000 0.307) 0.648 14.474 ( 3.942 0.000 -0.588) 3.985 14.474 ( 3.942 0.000 0.588) 3.985 14.558 ( 1.007 0.000 -0.174) 1.022 14.558 ( 1.007 0.000 0.174) 1.022 14.942 ( 0.965 0.000 -1.363) 1.670 14.942 ( 0.965 0.000 1.363) 1.670 15.327 ( -7.228 0.000 -1.784) 7.445 15.327 ( -7.228 0.000 1.784) 7.445 15.574 ( -3.202 0.000 -1.323) 3.465 15.574 ( -3.202 0.000 1.323) 3.465 16.070 ( -1.300 0.000 -5.822) 5.965 16.070 ( -1.300 0.000 5.822) 5.965 16.165 ( 1.568 0.000 -0.475) 1.638 16.165 ( 1.568 0.000 0.475) 1.638 16.385 ( 0.176 0.000 -0.000) 0.176 16.385 ( 0.176 0.000 0.000) 0.176 16.577 ( 7.244 0.000 -2.140) 7.553 16.577 ( 7.244 0.000 2.140) 7.553 16.705 ( 6.427 0.000 -5.178) 8.253 16.705 ( 6.427 0.000 5.178) 8.253 17.030 ( 6.268 0.000 -2.728) 6.836 17.030 ( 6.268 0.000 2.728) 6.836 17.326 ( -8.669 0.000 -4.005) 9.550 17.326 ( -8.669 0.000 4.005) 9.550 17.652 ( 1.004 0.000 -8.199) 8.260 17.652 ( 1.004 0.000 8.199) 8.260 18.092 ( 2.018 0.000 -1.252) 2.375 18.092 ( 2.018 0.000 1.252) 2.375 19.752 ( 2.777 0.000 -0.402) 2.806 19.752 ( 2.777 0.000 0.402) 2.806 20.263 ( -2.324 0.000 -0.464) 2.370 20.263 ( -2.324 0.000 0.464) 2.370 21.461 ( 1.350 0.000 -2.955) 3.249 21.461 ( 1.350 0.000 2.955) 3.249 21.931 ( -6.205 0.000 -4.515) 7.674 21.931 ( -6.205 0.000 4.515) 7.674 ======================= Grid point 202 (68/80) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 -0.000) 0.000 3.007 ( 0.000 0.000 -0.000) 0.000 3.462 ( -0.000 0.000 -0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 4.159 ( -0.000 0.000 0.000) 0.000 4.159 ( -0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.779 ( -0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 5.816 ( -0.000 0.000 -0.000) 0.000 5.816 ( 0.000 0.000 -0.000) 0.000 6.165 ( 0.000 0.000 -0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 -0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 7.443 ( -0.000 0.000 -0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 -0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 -0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.256 ( 0.000 0.000 0.000) 0.000 8.256 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 -0.000) 0.000 9.289 ( -0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 -0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 -0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 -0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 -0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 11.358 ( 0.000 0.000 -0.000) 0.000 11.358 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 -0.000) 0.000 11.648 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 11.766 ( -0.000 0.000 0.000) 0.000 11.774 ( 0.000 0.000 -0.000) 0.000 11.774 ( -0.000 0.000 -0.000) 0.000 12.791 ( 0.000 0.000 0.000) 0.000 12.791 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 0.000) 0.000 13.882 ( 0.000 0.000 0.000) 0.000 13.882 ( 0.000 0.000 0.000) 0.000 14.156 ( 0.000 0.000 0.000) 0.000 14.156 ( 0.000 0.000 0.000) 0.000 14.534 ( 0.000 0.000 0.000) 0.000 14.534 ( 0.000 0.000 0.000) 0.000 14.554 ( 0.000 0.000 0.000) 0.000 14.554 ( 0.000 0.000 0.000) 0.000 14.961 ( 0.000 0.000 0.000) 0.000 14.961 ( 0.000 0.000 0.000) 0.000 15.238 ( 0.000 0.000 0.000) 0.000 15.238 ( 0.000 0.000 0.000) 0.000 15.539 ( 0.000 0.000 0.000) 0.000 15.539 ( 0.000 0.000 0.000) 0.000 16.054 ( 0.000 0.000 0.000) 0.000 16.054 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 16.384 ( 0.000 0.000 0.000) 0.000 16.384 ( 0.000 0.000 0.000) 0.000 16.665 ( 0.000 0.000 0.000) 0.000 16.665 ( -0.000 0.000 0.000) 0.000 16.779 ( 0.000 0.000 -0.000) 0.000 16.779 ( 0.000 0.000 0.000) 0.000 17.092 ( 0.000 0.000 -0.000) 0.000 17.092 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 0.000 0.000) 0.000 17.674 ( 0.000 0.000 0.000) 0.000 17.674 ( 0.000 0.000 0.000) 0.000 18.108 ( 0.000 0.000 0.000) 0.000 18.108 ( 0.000 0.000 0.000) 0.000 19.786 ( 0.000 0.000 0.000) 0.000 19.786 ( 0.000 0.000 0.000) 0.000 20.234 ( 0.000 0.000 0.000) 0.000 20.234 ( 0.000 0.000 0.000) 0.000 21.480 ( 0.000 0.000 0.000) 0.000 21.480 ( 0.000 0.000 0.000) 0.000 21.856 ( 0.000 0.000 0.000) 0.000 21.856 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 210 (69/80) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.000 7.768 -23.798) 25.033 2.669 ( 0.000 7.768 23.798) 25.033 3.176 ( 0.000 4.648 -26.045) 26.457 3.176 ( 0.000 4.648 26.045) 26.457 3.292 ( 0.000 -1.374 -5.513) 5.681 3.292 ( 0.000 -1.374 5.513) 5.681 3.499 ( 0.000 2.725 -1.341) 3.037 3.499 ( 0.000 2.725 1.341) 3.037 3.732 ( 0.000 0.422 -8.382) 8.392 3.732 ( 0.000 0.422 8.382) 8.392 3.885 ( 0.000 0.635 -4.245) 4.292 3.885 ( 0.000 0.635 4.245) 4.292 3.993 ( 0.000 -5.387 -6.503) 8.444 3.993 ( 0.000 -5.387 6.503) 8.444 4.406 ( 0.000 -0.887 -0.332) 0.947 4.406 ( 0.000 -0.887 0.332) 0.947 4.598 ( 0.000 8.659 -6.512) 10.835 4.598 ( 0.000 8.659 6.512) 10.835 4.798 ( 0.000 -1.046 -10.161) 10.214 4.798 ( 0.000 -1.046 10.161) 10.214 4.897 ( 0.000 0.305 -14.814) 14.818 4.897 ( 0.000 0.305 14.814) 14.818 4.959 ( 0.000 -0.666 -5.439) 5.479 4.959 ( 0.000 -0.666 5.439) 5.479 5.227 ( 0.000 6.032 -4.751) 7.679 5.227 ( 0.000 6.032 4.751) 7.679 5.345 ( 0.000 1.123 -0.342) 1.174 5.345 ( 0.000 1.123 0.342) 1.174 5.680 ( 0.000 0.499 -0.031) 0.500 5.680 ( 0.000 0.499 0.031) 0.500 5.746 ( 0.000 2.389 -7.963) 8.314 5.746 ( 0.000 2.389 7.963) 8.314 5.989 ( 0.000 -0.908 -5.485) 5.559 5.989 ( 0.000 -0.908 5.485) 5.559 6.074 ( 0.000 1.072 -8.132) 8.203 6.074 ( 0.000 1.072 8.132) 8.203 6.760 ( 0.000 -2.347 -2.605) 3.507 6.760 ( 0.000 -2.347 2.605) 3.507 7.200 ( 0.000 -0.263 -2.634) 2.647 7.200 ( 0.000 -0.263 2.634) 2.647 7.323 ( 0.000 -9.917 -2.044) 10.126 7.323 ( 0.000 -9.917 2.044) 10.126 7.457 ( 0.000 -0.227 -2.129) 2.141 7.457 ( 0.000 -0.227 2.129) 2.141 7.789 ( 0.000 -2.296 -3.227) 3.961 7.789 ( 0.000 -2.296 3.227) 3.961 7.818 ( 0.000 -1.522 -8.571) 8.705 7.818 ( 0.000 -1.522 8.571) 8.705 8.212 ( 0.000 3.823 -19.102) 19.481 8.212 ( 0.000 3.823 19.102) 19.481 8.444 ( 0.000 6.883 -2.752) 7.413 8.444 ( 0.000 6.883 2.752) 7.413 9.094 ( 0.000 -2.669 -5.548) 6.156 9.094 ( 0.000 -2.669 5.548) 6.156 9.300 ( 0.000 1.013 -1.452) 1.770 9.300 ( 0.000 1.013 1.452) 1.770 9.727 ( 0.000 4.237 -4.375) 6.090 9.727 ( 0.000 4.237 4.375) 6.090 9.836 ( 0.000 0.263 -7.033) 7.038 9.836 ( 0.000 0.263 7.033) 7.038 10.043 ( 0.000 -1.967 -10.407) 10.591 10.043 ( 0.000 -1.967 10.407) 10.591 10.206 ( 0.000 1.618 -4.607) 4.883 10.206 ( 0.000 1.618 4.607) 4.883 10.408 ( 0.000 -2.648 -1.830) 3.219 10.408 ( 0.000 -2.648 1.830) 3.219 10.686 ( 0.000 -2.669 -0.127) 2.672 10.686 ( 0.000 -2.669 0.127) 2.672 11.371 ( 0.000 -5.516 -6.469) 8.501 11.371 ( 0.000 -5.516 6.469) 8.501 11.576 ( 0.000 -5.654 -10.778) 12.171 11.576 ( 0.000 -5.654 10.778) 12.171 11.753 ( 0.000 0.964 -5.231) 5.319 11.753 ( 0.000 0.964 5.231) 5.319 11.925 ( 0.000 0.228 -3.268) 3.276 11.925 ( 0.000 0.228 3.268) 3.276 12.741 ( 0.000 -1.437 -3.580) 3.858 12.741 ( 0.000 -1.437 3.580) 3.858 12.873 ( 0.000 -0.154 -1.773) 1.780 12.873 ( 0.000 -0.154 1.773) 1.780 14.118 ( 0.000 -2.158 -0.878) 2.330 14.118 ( 0.000 -2.158 0.878) 2.330 14.203 ( 0.000 1.389 -0.448) 1.459 14.203 ( 0.000 1.389 0.448) 1.459 14.357 ( 0.000 3.661 -1.496) 3.955 14.357 ( 0.000 3.661 1.496) 3.955 14.593 ( 0.000 8.613 -1.587) 8.758 14.593 ( 0.000 8.613 1.587) 8.758 14.941 ( 0.000 0.441 -0.190) 0.480 14.941 ( 0.000 0.441 0.190) 0.480 15.593 ( 0.000 -1.616 -5.077) 5.328 15.593 ( 0.000 -1.616 5.077) 5.328 15.768 ( 0.000 2.624 -5.086) 5.723 15.768 ( 0.000 2.624 5.086) 5.723 15.977 ( 0.000 -4.664 -0.410) 4.682 15.977 ( 0.000 -4.664 0.410) 4.682 16.093 ( 0.000 -3.778 -0.012) 3.778 16.093 ( 0.000 -3.778 0.012) 3.778 16.270 ( 0.000 -1.267 -4.723) 4.890 16.270 ( 0.000 -1.267 4.723) 4.890 16.479 ( 0.000 6.631 -1.604) 6.822 16.479 ( 0.000 6.631 1.604) 6.822 16.610 ( 0.000 3.231 -0.378) 3.253 16.610 ( 0.000 3.231 0.378) 3.253 16.749 ( 0.000 8.171 -0.041) 8.171 16.749 ( 0.000 8.171 0.041) 8.171 17.590 ( 0.000 -2.064 -13.822) 13.976 17.590 ( 0.000 -2.064 13.822) 13.976 17.741 ( 0.000 -5.257 -1.449) 5.453 17.741 ( 0.000 -5.257 1.449) 5.453 17.816 ( 0.000 -3.113 -3.674) 4.815 17.816 ( 0.000 -3.113 3.674) 4.815 19.695 ( 0.000 2.216 -1.352) 2.596 19.695 ( 0.000 2.216 1.352) 2.596 20.401 ( 0.000 6.160 -0.241) 6.165 20.401 ( 0.000 6.160 0.241) 6.165 21.407 ( 0.000 -1.898 -4.335) 4.733 21.407 ( 0.000 -1.898 4.335) 4.733 22.030 ( 0.000 -9.582 -10.673) 14.343 22.030 ( 0.000 -9.582 10.673) 14.343 ======================= Grid point 212 (70/80) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 1.889 5.256 0.000) 5.585 2.781 ( 6.735 10.161 0.000) 12.190 3.053 ( -6.623 0.655 -0.000) 6.656 3.143 ( -4.786 2.560 0.000) 5.427 3.213 ( -4.547 1.851 0.000) 4.909 3.376 ( -1.142 9.604 0.000) 9.672 3.460 ( 1.509 0.998 0.000) 1.810 3.520 ( 0.002 0.499 0.000) 0.499 3.635 ( -5.707 -0.652 0.000) 5.744 3.662 ( -4.315 -2.032 -0.000) 4.770 3.852 ( -3.106 -4.224 0.000) 5.242 3.916 ( 2.520 0.193 0.000) 2.528 4.017 ( -0.155 -2.319 -0.000) 2.324 4.084 ( 6.555 1.039 0.000) 6.636 4.319 ( -3.853 1.905 0.000) 4.298 4.433 ( -1.644 -5.209 0.000) 5.462 4.488 ( -1.572 8.070 0.000) 8.222 4.641 ( -5.818 -0.419 0.000) 5.833 4.740 ( -8.761 4.506 -0.000) 9.852 4.761 ( -1.036 1.627 0.000) 1.929 4.869 ( 3.559 8.279 0.000) 9.012 4.955 ( -1.858 3.663 -0.000) 4.107 4.984 ( 4.125 -3.818 0.000) 5.621 5.047 ( 4.475 2.214 0.000) 4.993 5.165 ( 7.300 -3.967 0.000) 8.308 5.275 ( 0.216 -0.320 0.000) 0.386 5.301 ( -0.861 -1.385 0.000) 1.630 5.461 ( 8.405 6.321 0.000) 10.517 5.699 ( 0.822 4.197 0.000) 4.277 5.723 ( 1.602 3.825 0.000) 4.146 5.826 ( 6.994 -2.751 0.000) 7.516 5.885 ( 7.610 0.025 0.000) 7.610 5.946 ( 1.168 0.837 -0.000) 1.437 5.963 ( -1.299 0.272 0.000) 1.328 6.080 ( 3.461 -1.913 0.000) 3.954 6.176 ( 3.214 2.532 0.000) 4.092 6.708 ( -4.801 -0.845 0.000) 4.875 6.725 ( -3.421 -1.323 0.000) 3.668 7.109 ( -6.483 -3.396 0.000) 7.318 7.139 ( -4.938 2.406 -0.000) 5.493 7.234 ( -3.055 -5.395 0.000) 6.200 7.379 ( 0.083 -7.662 0.000) 7.662 7.511 ( 3.669 -0.928 0.000) 3.785 7.520 ( 5.444 -2.279 0.000) 5.902 7.651 ( -7.029 -1.252 0.000) 7.140 7.737 ( -2.186 -1.013 0.000) 2.409 7.851 ( 1.769 -6.225 -0.000) 6.472 7.920 ( 2.226 -8.481 0.000) 8.768 8.161 ( -3.003 2.632 0.000) 3.993 8.240 ( 0.592 4.914 0.000) 4.949 8.410 ( -2.560 10.441 0.000) 10.750 8.418 ( -1.472 7.151 0.000) 7.301 9.083 ( 2.077 -5.530 0.000) 5.907 9.240 ( 9.060 -0.825 0.000) 9.098 9.293 ( 0.180 0.162 -0.000) 0.242 9.332 ( 2.028 1.908 0.000) 2.785 9.642 ( -5.974 4.139 0.000) 7.268 9.662 ( -4.396 3.517 -0.000) 5.630 9.794 ( -2.456 -1.557 0.000) 2.908 9.921 ( -0.569 -1.976 0.000) 2.057 9.960 ( -1.078 3.951 0.000) 4.095 10.035 ( -0.158 1.273 0.000) 1.283 10.156 ( -4.104 -0.530 0.000) 4.139 10.215 ( -0.521 0.348 -0.000) 0.626 10.439 ( 4.178 -4.086 0.000) 5.844 10.537 ( 8.446 -0.849 0.000) 8.489 10.650 ( -1.824 -3.862 0.000) 4.271 10.673 ( -1.835 -3.227 0.000) 3.712 11.402 ( 3.463 -6.149 0.000) 7.057 11.451 ( 5.218 -4.880 0.000) 7.144 11.552 ( -1.973 -5.169 0.000) 5.533 11.582 ( 0.759 -4.035 -0.000) 4.106 11.705 ( -1.939 0.905 0.000) 2.140 11.752 ( -5.359 3.509 0.000) 6.405 11.840 ( -1.703 -3.538 0.000) 3.927 11.933 ( -1.831 1.708 -0.000) 2.504 12.727 ( -0.444 -3.147 0.000) 3.178 12.750 ( -0.275 -1.590 -0.000) 1.613 12.870 ( 1.159 0.793 0.000) 1.404 12.904 ( 1.467 1.752 -0.000) 2.284 14.016 ( -5.279 -0.370 0.000) 5.292 14.125 ( -4.429 1.926 0.000) 4.830 14.173 ( -1.319 1.306 0.000) 1.857 14.221 ( 0.196 2.204 0.000) 2.213 14.288 ( 0.637 -1.671 0.000) 1.789 14.445 ( 1.471 -0.311 0.000) 1.503 14.583 ( 1.637 8.222 0.000) 8.383 14.637 ( 2.513 7.927 0.000) 8.316 14.937 ( -0.363 0.031 0.000) 0.365 14.959 ( 1.555 2.610 0.000) 3.038 15.465 ( -7.849 -0.111 0.000) 7.850 15.582 ( -7.072 3.606 0.000) 7.938 15.641 ( -1.368 -0.015 0.000) 1.368 15.682 ( -6.682 1.146 -0.000) 6.780 16.017 ( 1.807 -4.836 0.000) 5.162 16.020 ( 1.899 -3.061 -0.000) 3.602 16.141 ( -3.629 -3.051 0.000) 4.742 16.229 ( 11.241 -2.007 0.000) 11.419 16.248 ( -5.894 2.407 0.000) 6.367 16.283 ( 11.089 -7.026 0.000) 13.127 16.507 ( 1.259 5.894 -0.687) 6.066 16.507 ( 1.691 8.253 0.687) 8.452 16.628 ( 3.452 3.593 0.000) 4.983 16.653 ( -0.169 4.795 0.000) 4.798 16.770 ( 11.574 -0.252 0.000) 11.577 16.948 ( 8.749 5.887 0.000) 10.545 17.486 ( -7.880 -3.944 0.000) 8.812 17.499 ( -10.501 -3.510 -0.000) 11.072 17.650 ( 0.784 -0.744 0.000) 1.081 17.660 ( -2.816 -0.504 -0.000) 2.861 17.954 ( 7.188 -4.397 0.000) 8.426 17.965 ( 6.328 -3.868 0.000) 7.417 19.715 ( 2.034 2.098 -0.000) 2.922 19.722 ( 2.326 2.302 0.000) 3.273 20.367 ( -2.591 5.588 0.000) 6.159 20.383 ( -1.982 6.099 0.000) 6.413 21.398 ( -0.114 -2.921 0.000) 2.923 21.425 ( 0.850 -1.739 0.000) 1.935 21.955 ( -5.464 -9.419 0.000) 10.890 21.993 ( -4.152 -7.866 0.000) 8.895 ======================= Grid point 214 (71/80) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 6.273 4.750 0.000) 7.868 2.885 ( 0.481 0.309 -0.000) 0.571 2.973 ( 0.185 11.829 -0.000) 11.830 3.014 ( -6.616 -1.685 0.000) 6.827 3.116 ( -2.823 1.856 0.000) 3.379 3.268 ( -5.923 11.914 0.000) 13.305 3.478 ( -2.265 -0.952 -0.000) 2.456 3.523 ( 1.340 3.444 0.000) 3.696 3.579 ( -0.652 0.843 -0.000) 1.066 3.582 ( -2.681 -0.327 0.000) 2.701 3.810 ( -1.035 -2.830 0.000) 3.014 3.894 ( -3.972 1.177 0.000) 4.143 4.058 ( 4.433 -0.827 0.000) 4.509 4.179 ( 2.437 4.492 0.000) 5.111 4.264 ( -1.684 2.565 0.000) 3.069 4.349 ( -6.510 2.296 -0.000) 6.903 4.453 ( -2.988 -0.617 0.000) 3.051 4.503 ( -4.732 1.677 0.000) 5.020 4.643 ( 2.409 4.230 0.000) 4.868 4.705 ( -4.741 -0.014 0.000) 4.741 4.852 ( -4.040 -0.971 0.000) 4.155 4.932 ( 1.588 3.976 0.000) 4.282 5.080 ( 5.173 -2.714 -0.000) 5.842 5.149 ( 2.160 -3.706 0.000) 4.290 5.296 ( 5.827 2.196 0.000) 6.227 5.356 ( 4.161 0.748 0.000) 4.228 5.450 ( 11.529 -3.098 0.000) 11.938 5.608 ( 3.237 4.371 0.000) 5.439 5.690 ( 1.876 2.401 0.000) 3.047 5.709 ( -1.558 1.894 0.000) 2.452 5.912 ( -2.008 0.251 0.000) 2.024 5.918 ( 1.131 0.323 -0.000) 1.176 6.061 ( 6.253 0.079 0.000) 6.253 6.075 ( 5.830 -2.303 0.000) 6.268 6.161 ( 4.642 1.102 0.000) 4.771 6.213 ( 1.441 2.912 0.000) 3.249 6.586 ( -5.373 1.107 -0.000) 5.486 6.628 ( -5.195 1.629 0.000) 5.444 6.978 ( -5.306 2.087 0.000) 5.702 7.015 ( -6.441 4.518 -0.000) 7.867 7.230 ( 3.138 -7.164 0.000) 7.821 7.369 ( 0.296 -6.028 0.000) 6.035 7.532 ( -4.805 -2.310 0.000) 5.332 7.554 ( -0.763 -1.169 0.000) 1.396 7.646 ( 5.634 -4.685 0.000) 7.328 7.710 ( 0.137 -3.939 0.000) 3.942 7.863 ( -0.018 -10.541 -0.000) 10.541 7.915 ( -1.914 -12.035 0.000) 12.186 8.095 ( -2.661 1.630 0.000) 3.120 8.190 ( -5.087 3.823 0.000) 6.364 8.402 ( 1.669 12.487 -0.000) 12.598 8.410 ( 0.719 9.269 0.000) 9.297 9.153 ( 4.249 -5.969 0.000) 7.327 9.298 ( -0.267 -0.254 0.000) 0.369 9.372 ( 1.487 2.623 0.000) 3.015 9.406 ( 4.377 -0.583 -0.000) 4.416 9.521 ( -5.049 5.917 0.000) 7.779 9.560 ( -4.890 3.523 -0.000) 6.027 9.750 ( 1.128 -4.295 0.000) 4.440 9.873 ( -0.157 -3.869 0.000) 3.872 9.985 ( -0.140 4.886 0.000) 4.888 10.045 ( -0.865 1.478 0.000) 1.712 10.078 ( -1.557 0.907 0.000) 1.802 10.164 ( -3.552 2.076 -0.000) 4.114 10.528 ( 1.602 -3.486 0.000) 3.837 10.586 ( -2.879 -0.931 0.000) 3.026 10.662 ( 4.897 -6.560 0.000) 8.186 10.734 ( 6.238 -4.419 0.000) 7.644 11.429 ( -3.794 -4.613 -0.000) 5.972 11.436 ( -5.253 -3.275 0.000) 6.191 11.598 ( 0.441 -1.899 0.000) 1.950 11.617 ( 6.508 -2.085 0.000) 6.834 11.660 ( 2.130 0.481 0.000) 2.184 11.673 ( -1.129 0.014 -0.000) 1.129 11.824 ( -1.592 -1.501 0.000) 2.189 11.866 ( -4.191 0.744 -0.000) 4.257 12.722 ( -0.038 -4.153 0.000) 4.154 12.736 ( -0.746 -3.665 0.000) 3.740 12.908 ( 1.837 3.310 0.000) 3.786 12.929 ( 0.796 3.489 0.000) 3.579 13.925 ( -2.690 1.605 0.000) 3.132 14.002 ( -5.654 3.714 0.000) 6.764 14.157 ( -0.167 0.925 0.000) 0.940 14.205 ( -1.595 2.243 0.000) 2.752 14.337 ( 2.939 -4.846 0.000) 5.668 14.433 ( -1.493 -5.314 0.000) 5.520 14.652 ( 3.762 8.187 0.000) 9.010 14.692 ( 2.341 6.833 0.000) 7.223 14.928 ( -0.053 -0.150 0.000) 0.159 14.989 ( 0.316 2.596 0.000) 2.615 15.319 ( -4.009 3.865 0.000) 5.568 15.452 ( -5.538 7.551 0.000) 9.365 15.581 ( -3.087 0.847 0.000) 3.201 15.584 ( -3.365 1.046 -0.000) 3.524 16.032 ( 0.240 -2.354 0.000) 2.366 16.062 ( 1.204 -2.174 -0.000) 2.485 16.122 ( 1.014 -3.820 0.000) 3.952 16.141 ( -2.715 -0.273 0.000) 2.728 16.414 ( 4.823 2.259 -0.000) 5.326 16.486 ( 6.924 -6.354 0.000) 9.397 16.506 ( -0.602 6.589 0.000) 6.616 16.549 ( 2.897 -0.663 0.000) 2.972 16.718 ( 5.028 2.171 -0.000) 5.477 16.738 ( 6.126 2.288 0.000) 6.539 16.989 ( 7.072 -2.511 0.000) 7.504 17.052 ( 0.719 -0.325 0.000) 0.789 17.294 ( -7.725 -2.240 -0.000) 8.043 17.316 ( -6.863 -1.833 0.000) 7.104 17.663 ( 2.393 2.013 0.000) 3.127 17.682 ( 1.996 2.239 0.000) 2.999 18.056 ( 2.357 -3.359 -0.000) 4.104 18.057 ( 2.587 -3.377 0.000) 4.254 19.771 ( 2.894 2.108 0.000) 3.581 19.781 ( 2.746 2.394 0.000) 3.643 20.307 ( -2.527 4.737 0.000) 5.369 20.328 ( -2.906 5.392 0.000) 6.126 21.405 ( 0.843 -4.217 0.000) 4.300 21.438 ( 0.253 -3.005 0.000) 3.015 21.839 ( -4.513 -7.201 -0.000) 8.498 21.884 ( -5.408 -5.573 0.000) 7.765 ======================= Grid point 216 (72/80) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -4.514 4.784 0.000) 6.578 2.887 ( 4.514 4.784 0.000) 6.578 2.909 ( -0.613 -1.370 0.000) 1.501 2.909 ( 0.613 -1.370 0.000) 1.501 3.159 ( -4.485 10.542 0.000) 11.456 3.159 ( 4.485 10.542 0.000) 11.456 3.487 ( -2.777 -4.434 -0.000) 5.232 3.487 ( 2.777 -4.434 -0.000) 5.232 3.569 ( -0.326 7.902 0.000) 7.909 3.569 ( 0.326 7.902 0.000) 7.909 3.819 ( -2.257 -0.295 0.000) 2.276 3.819 ( 2.257 -0.295 0.000) 2.276 4.178 ( -6.556 0.799 0.000) 6.604 4.178 ( 6.556 0.799 0.000) 6.605 4.227 ( -1.453 3.382 -0.000) 3.681 4.227 ( 1.453 3.382 0.000) 3.681 4.456 ( -1.117 3.315 0.000) 3.498 4.456 ( 1.117 3.315 0.000) 3.498 4.639 ( -0.201 0.076 0.000) 0.215 4.639 ( 0.201 0.076 0.000) 0.215 4.902 ( -4.859 -1.022 0.000) 4.965 4.902 ( 4.859 -1.022 0.000) 4.965 5.155 ( -1.608 -3.782 0.000) 4.110 5.155 ( 1.608 -3.782 0.000) 4.110 5.379 ( -1.848 0.546 0.000) 1.927 5.379 ( 1.848 0.546 0.000) 1.927 5.592 ( -1.455 1.963 0.000) 2.443 5.592 ( 1.455 1.963 0.000) 2.443 5.770 ( -4.994 -1.272 0.000) 5.154 5.770 ( 4.994 -1.272 0.000) 5.154 5.857 ( -4.128 3.400 0.000) 5.348 5.857 ( 4.128 3.400 0.000) 5.348 6.131 ( -0.507 -1.983 0.000) 2.047 6.131 ( 0.507 -1.983 -0.000) 2.047 6.242 ( -0.965 3.096 0.000) 3.243 6.242 ( 0.965 3.096 0.000) 3.243 6.541 ( -1.804 2.539 0.000) 3.115 6.541 ( 1.804 2.539 0.000) 3.115 6.922 ( -0.959 5.036 0.000) 5.126 6.922 ( 0.959 5.036 0.000) 5.126 7.338 ( -5.280 -8.152 0.000) 9.713 7.338 ( 5.280 -8.152 0.000) 9.713 7.494 ( -2.851 -1.866 0.000) 3.407 7.494 ( 2.851 -1.866 0.000) 3.407 7.718 ( -0.776 -4.858 0.000) 4.919 7.718 ( 0.776 -4.858 0.000) 4.919 7.876 ( -1.352 -12.075 0.000) 12.151 7.876 ( 1.352 -12.075 0.000) 12.151 8.091 ( -2.915 2.735 -0.000) 3.997 8.091 ( 2.915 2.735 0.000) 3.997 8.425 ( -0.038 10.698 0.000) 10.698 8.425 ( 0.038 10.698 0.000) 10.698 9.250 ( -4.306 -3.586 0.000) 5.604 9.250 ( 4.306 -3.586 0.000) 5.604 9.404 ( -1.998 2.397 0.000) 3.121 9.404 ( 1.998 2.397 0.000) 3.121 9.484 ( -1.713 4.438 0.000) 4.757 9.484 ( 1.713 4.438 -0.000) 4.757 9.850 ( -4.963 -5.906 0.000) 7.715 9.850 ( 4.963 -5.906 0.000) 7.715 9.983 ( -2.391 2.251 0.000) 3.284 9.983 ( 2.391 2.251 0.000) 3.284 10.101 ( -2.128 3.726 0.000) 4.291 10.101 ( 2.128 3.726 -0.000) 4.291 10.539 ( -1.088 -1.447 0.000) 1.810 10.539 ( 1.088 -1.447 0.000) 1.810 10.780 ( -3.033 -7.431 0.000) 8.026 10.780 ( 3.033 -7.431 0.000) 8.026 11.355 ( -0.401 -0.297 0.000) 0.499 11.355 ( 0.401 -0.297 0.000) 0.499 11.635 ( -1.963 -1.255 -0.000) 2.330 11.635 ( 1.963 -1.255 0.000) 2.330 11.741 ( -1.211 -2.748 0.000) 3.003 11.741 ( 1.211 -2.748 0.000) 3.003 11.772 ( -1.696 0.587 -0.000) 1.795 11.772 ( 1.696 0.587 -0.000) 1.795 12.725 ( -0.311 -4.475 0.000) 4.486 12.725 ( 0.311 -4.475 0.000) 4.486 12.933 ( -0.492 4.109 0.000) 4.138 12.933 ( 0.492 4.109 0.000) 4.138 13.917 ( -1.983 2.876 0.000) 3.493 13.917 ( 1.983 2.876 0.000) 3.493 14.170 ( -1.345 1.231 0.000) 1.824 14.170 ( 1.345 1.231 0.000) 1.824 14.394 ( -2.327 -5.872 0.000) 6.316 14.394 ( 2.327 -5.872 0.000) 6.316 14.709 ( -1.156 7.477 0.000) 7.566 14.709 ( 1.156 7.477 0.000) 7.566 14.954 ( -2.493 -0.460 0.000) 2.535 14.954 ( 2.493 -0.460 0.000) 2.535 15.336 ( -4.642 8.903 0.000) 10.040 15.336 ( 4.642 8.903 0.000) 10.040 15.547 ( -0.085 0.764 0.000) 0.768 15.547 ( 0.085 0.764 0.000) 0.768 16.048 ( -1.312 -0.498 0.000) 1.403 16.048 ( 1.312 -0.498 0.000) 1.403 16.135 ( -0.274 -3.920 0.000) 3.930 16.135 ( 0.274 -3.920 0.000) 3.930 16.471 ( -1.802 6.633 0.000) 6.873 16.471 ( 1.802 6.633 0.000) 6.873 16.583 ( -1.016 -6.756 0.000) 6.832 16.583 ( 1.016 -6.756 0.000) 6.832 16.803 ( -1.426 1.767 0.000) 2.271 16.803 ( 1.426 1.767 0.000) 2.271 17.045 ( -0.156 -4.018 0.000) 4.021 17.045 ( 0.156 -4.018 0.000) 4.021 17.224 ( -1.375 -0.331 0.000) 1.414 17.224 ( 1.375 -0.331 0.000) 1.414 17.707 ( -0.540 3.119 0.000) 3.166 17.707 ( 0.540 3.119 0.000) 3.166 18.078 ( -0.132 -2.831 0.000) 2.834 18.078 ( 0.132 -2.831 0.000) 2.834 19.811 ( -0.348 2.354 0.000) 2.380 19.811 ( 0.348 2.354 0.000) 2.380 20.284 ( -0.670 4.566 0.000) 4.615 20.284 ( 0.670 4.566 0.000) 4.615 21.428 ( -1.092 -4.654 0.000) 4.781 21.428 ( 1.092 -4.654 0.000) 4.781 21.803 ( -1.444 -4.869 0.000) 5.079 21.803 ( 1.444 -4.869 0.000) 5.079 ======================= Grid point 224 (73/80) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 0.000 10.036 -16.192) 19.050 2.862 ( 0.000 10.036 16.192) 19.050 3.277 ( 0.000 -0.201 -4.323) 4.327 3.277 ( 0.000 -0.201 4.323) 4.327 3.295 ( 0.000 5.511 -18.489) 19.293 3.295 ( 0.000 5.511 18.489) 19.293 3.536 ( 0.000 1.188 -2.487) 2.756 3.536 ( 0.000 1.188 2.487) 2.756 3.686 ( 0.000 -4.843 -11.850) 12.801 3.686 ( 0.000 -4.843 11.850) 12.801 3.928 ( 0.000 3.722 -3.528) 5.128 3.928 ( 0.000 3.722 3.528) 5.128 3.935 ( 0.000 -0.243 -0.657) 0.700 3.935 ( 0.000 -0.243 0.657) 0.700 4.273 ( 0.000 -10.002 -2.995) 10.441 4.273 ( 0.000 -10.002 2.995) 10.441 4.611 ( 0.000 -4.044 -1.338) 4.260 4.611 ( 0.000 -4.044 1.338) 4.260 4.881 ( 0.000 5.199 -5.522) 7.584 4.881 ( 0.000 5.199 5.522) 7.584 4.986 ( 0.000 4.215 -12.145) 12.856 4.986 ( 0.000 4.215 12.145) 12.856 5.014 ( 0.000 6.161 -4.923) 7.886 5.014 ( 0.000 6.161 4.923) 7.886 5.302 ( 0.000 -1.696 -0.225) 1.711 5.302 ( 0.000 -1.696 0.225) 1.711 5.449 ( 0.000 13.180 -4.238) 13.845 5.449 ( 0.000 13.180 4.238) 13.845 5.690 ( 0.000 0.147 -0.000) 0.147 5.690 ( 0.000 0.147 0.000) 0.147 5.809 ( 0.000 2.928 -7.239) 7.809 5.809 ( 0.000 2.928 7.239) 7.809 5.948 ( 0.000 -2.944 -6.903) 7.504 5.948 ( 0.000 -2.944 6.903) 7.504 6.115 ( 0.000 3.337 -3.953) 5.174 6.115 ( 0.000 3.337 3.953) 5.174 6.684 ( 0.000 -5.673 -1.720) 5.928 6.684 ( 0.000 -5.673 1.720) 5.928 7.031 ( 0.000 -12.319 -6.182) 13.783 7.031 ( 0.000 -12.319 6.182) 13.783 7.251 ( 0.000 0.586 -0.617) 0.851 7.251 ( 0.000 0.586 0.617) 0.851 7.452 ( 0.000 -0.134 -0.278) 0.309 7.452 ( 0.000 -0.134 0.278) 0.309 7.723 ( 0.000 -3.132 -1.613) 3.523 7.723 ( 0.000 -3.132 1.613) 3.523 7.787 ( 0.000 -1.235 -6.703) 6.816 7.787 ( 0.000 -1.235 6.703) 6.816 8.322 ( 0.000 5.354 -12.135) 13.263 8.322 ( 0.000 5.354 12.135) 13.263 8.551 ( 0.000 3.224 -1.473) 3.545 8.551 ( 0.000 3.224 1.473) 3.545 9.039 ( 0.000 -2.202 -4.343) 4.869 9.039 ( 0.000 -2.202 4.343) 4.869 9.356 ( 0.000 4.136 -0.019) 4.136 9.356 ( 0.000 4.136 0.019) 4.136 9.807 ( 0.000 1.930 -0.110) 1.933 9.807 ( 0.000 1.930 0.110) 1.933 9.842 ( 0.000 1.174 -0.062) 1.176 9.842 ( 0.000 1.174 0.062) 1.176 9.993 ( 0.000 -2.561 -11.741) 12.017 9.993 ( 0.000 -2.561 11.741) 12.017 10.240 ( 0.000 1.351 -2.871) 3.173 10.240 ( 0.000 1.351 2.871) 3.173 10.344 ( 0.000 -2.783 -2.192) 3.542 10.344 ( 0.000 -2.783 2.192) 3.542 10.620 ( 0.000 -3.392 -0.236) 3.401 10.620 ( 0.000 -3.392 0.236) 3.401 11.290 ( 0.000 -1.560 -7.119) 7.288 11.290 ( 0.000 -1.560 7.119) 7.288 11.439 ( 0.000 -7.109 -11.441) 13.470 11.439 ( 0.000 -7.109 11.441) 13.470 11.770 ( 0.000 0.713 -2.223) 2.335 11.770 ( 0.000 0.713 2.223) 2.335 11.904 ( 0.000 -1.865 -2.449) 3.078 11.904 ( 0.000 -1.865 2.449) 3.078 12.728 ( 0.000 0.156 -1.172) 1.183 12.728 ( 0.000 0.156 1.172) 1.183 12.873 ( 0.000 -0.011 -0.610) 0.610 12.873 ( 0.000 -0.011 0.610) 0.610 14.081 ( 0.000 -1.269 -0.642) 1.423 14.081 ( 0.000 -1.269 0.642) 1.423 14.225 ( 0.000 0.741 -0.779) 1.076 14.225 ( 0.000 0.741 0.779) 1.076 14.435 ( 0.000 3.189 -0.475) 3.224 14.435 ( 0.000 3.189 0.475) 3.224 14.745 ( 0.000 4.325 -3.347) 5.469 14.745 ( 0.000 4.325 3.347) 5.469 14.987 ( 0.000 4.504 -0.930) 4.599 14.987 ( 0.000 4.504 0.930) 4.599 15.585 ( 0.000 0.963 -7.853) 7.912 15.585 ( 0.000 0.963 7.853) 7.912 15.759 ( 0.000 -3.715 -14.069) 14.551 15.759 ( 0.000 -3.715 14.069) 14.551 15.904 ( 0.000 -2.810 -3.538) 4.518 15.904 ( 0.000 -2.810 3.538) 4.518 16.032 ( 0.000 -0.838 -1.417) 1.646 16.032 ( 0.000 -0.838 1.417) 1.646 16.247 ( 0.000 -0.928 -6.484) 6.550 16.247 ( 0.000 -0.928 6.484) 6.550 16.632 ( 0.000 7.266 -1.944) 7.522 16.632 ( 0.000 7.266 1.944) 7.522 16.692 ( 0.000 3.740 -0.406) 3.762 16.692 ( 0.000 3.740 0.406) 3.762 16.918 ( 0.000 7.805 -0.292) 7.810 16.918 ( 0.000 7.805 0.292) 7.810 17.530 ( 0.000 -3.685 -7.398) 8.265 17.530 ( 0.000 -3.685 7.398) 8.265 17.609 ( 0.000 -6.758 -1.843) 7.005 17.609 ( 0.000 -6.758 1.843) 7.005 17.746 ( 0.000 -3.008 -2.051) 3.641 17.746 ( 0.000 -3.008 2.051) 3.641 19.746 ( 0.000 2.364 -0.421) 2.401 19.746 ( 0.000 2.364 0.421) 2.401 20.554 ( 0.000 7.773 -0.313) 7.780 20.554 ( 0.000 7.773 0.313) 7.780 21.369 ( 0.000 -1.299 -3.187) 3.441 21.369 ( 0.000 -1.299 3.187) 3.441 21.796 ( 0.000 -11.769 -6.078) 13.246 21.796 ( 0.000 -11.769 6.078) 13.246 ======================= Grid point 226 (74/80) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 0.723 9.607 0.000) 9.634 2.991 ( 3.739 9.315 -0.000) 10.037 3.073 ( -5.367 0.035 0.000) 5.367 3.178 ( -8.008 0.837 0.000) 8.052 3.316 ( -0.816 8.104 -0.000) 8.144 3.491 ( 3.275 0.192 -0.000) 3.281 3.500 ( -0.890 -2.278 0.000) 2.446 3.579 ( 4.373 5.059 0.000) 6.687 3.600 ( -2.083 -0.025 -0.000) 2.083 3.650 ( -5.531 2.225 -0.000) 5.962 3.791 ( -4.079 0.753 0.000) 4.148 3.892 ( 2.610 -2.789 0.000) 3.819 4.008 ( 0.480 1.621 -0.000) 1.691 4.058 ( 3.896 -5.330 0.000) 6.602 4.257 ( -0.680 -6.994 -0.000) 7.027 4.269 ( 0.219 -6.351 0.000) 6.354 4.601 ( -1.993 1.291 0.000) 2.374 4.625 ( -1.596 -0.517 0.000) 1.677 4.829 ( -4.345 1.284 0.000) 4.531 4.831 ( -3.466 0.395 -0.000) 3.488 4.912 ( 1.575 2.844 -0.000) 3.251 5.057 ( 1.963 5.994 -0.000) 6.307 5.098 ( 1.930 8.352 0.000) 8.572 5.116 ( 0.768 2.303 0.000) 2.428 5.203 ( -0.142 3.683 0.000) 3.686 5.260 ( 1.685 -0.739 -0.000) 1.840 5.308 ( -3.502 9.512 0.000) 10.137 5.599 ( 5.427 7.079 0.000) 8.920 5.771 ( 7.698 0.139 -0.000) 7.699 5.787 ( 1.879 2.508 0.000) 3.133 5.791 ( -1.911 0.018 0.000) 1.911 5.869 ( 6.097 -2.067 0.000) 6.438 5.975 ( -5.106 2.452 -0.000) 5.664 5.979 ( 5.634 2.169 0.000) 6.037 6.041 ( 5.877 -1.586 0.000) 6.087 6.215 ( 2.399 0.593 0.000) 2.471 6.668 ( -0.073 -4.010 -0.000) 4.011 6.703 ( -0.535 -0.146 0.000) 0.554 6.920 ( -2.943 -10.439 0.000) 10.846 7.123 ( 2.459 -13.994 0.000) 14.209 7.196 ( -3.670 2.028 0.000) 4.193 7.224 ( -2.943 1.099 0.000) 3.142 7.472 ( 1.313 -1.954 0.000) 2.354 7.491 ( 2.577 -1.267 -0.000) 2.871 7.638 ( -4.644 -0.467 -0.000) 4.667 7.714 ( -4.705 -0.837 0.000) 4.779 7.750 ( -0.937 -6.677 -0.000) 6.742 7.766 ( -2.541 -2.323 0.000) 3.443 8.243 ( -5.171 4.294 0.000) 6.722 8.313 ( -2.801 1.721 0.000) 3.287 8.544 ( 0.971 5.279 0.000) 5.367 8.594 ( 2.270 6.031 -0.000) 6.444 9.001 ( 0.517 -1.397 0.000) 1.490 9.154 ( 5.497 -5.454 0.000) 7.744 9.352 ( 1.991 3.752 -0.000) 4.248 9.397 ( 2.423 3.619 0.000) 4.355 9.716 ( -4.723 2.059 -0.000) 5.152 9.723 ( -3.987 2.021 0.000) 4.470 9.818 ( -4.173 4.127 0.000) 5.869 9.874 ( -5.107 -1.138 0.000) 5.233 10.026 ( 6.609 0.462 0.000) 6.625 10.030 ( 2.944 -1.817 -0.000) 3.460 10.170 ( -4.514 1.603 0.000) 4.791 10.204 ( -2.489 -0.372 -0.000) 2.517 10.369 ( 2.327 -2.481 0.000) 3.401 10.463 ( 7.187 -5.918 0.000) 9.310 10.574 ( -2.477 -2.806 0.000) 3.743 10.603 ( -2.128 -3.073 0.000) 3.738 11.313 ( 2.811 -1.975 -0.000) 3.435 11.367 ( 3.868 -2.776 0.000) 4.761 11.440 ( 2.089 -5.237 0.000) 5.638 11.477 ( 2.822 -5.611 -0.000) 6.280 11.707 ( -2.933 -0.196 0.000) 2.940 11.754 ( -6.496 -2.835 0.000) 7.087 11.833 ( 0.560 3.067 0.000) 3.118 11.944 ( -0.749 -1.013 0.000) 1.260 12.677 ( -2.193 -1.156 0.000) 2.479 12.715 ( -2.439 -1.823 0.000) 3.045 12.901 ( 3.518 1.894 0.000) 3.995 12.933 ( 3.218 0.807 0.000) 3.318 14.027 ( -2.831 1.232 0.000) 3.088 14.105 ( -0.587 -2.395 0.000) 2.466 14.208 ( -0.742 1.772 0.000) 1.921 14.246 ( 0.724 0.273 0.000) 0.774 14.326 ( -4.711 3.549 0.000) 5.898 14.432 ( -3.969 -1.214 0.000) 4.151 14.730 ( 1.778 5.528 0.000) 5.807 14.794 ( 1.747 5.338 0.000) 5.617 14.949 ( -1.303 2.397 0.000) 2.728 15.033 ( 1.432 3.319 0.000) 3.615 15.506 ( -3.673 4.059 0.000) 5.475 15.611 ( -2.147 -0.272 0.000) 2.165 15.676 ( -1.052 2.471 0.000) 2.686 15.701 ( -5.293 0.847 -0.000) 5.360 15.915 ( 3.092 -4.093 -0.000) 5.129 15.978 ( 1.203 -0.866 0.000) 1.482 16.072 ( -1.885 -3.308 0.000) 3.808 16.103 ( 7.521 -9.536 -0.000) 12.145 16.228 ( 7.047 1.331 0.000) 7.172 16.278 ( -3.012 0.322 0.000) 3.029 16.628 ( -0.412 5.874 0.000) 5.889 16.687 ( 3.636 7.415 -0.000) 8.258 16.718 ( 2.955 4.592 0.000) 5.461 16.755 ( 1.913 2.393 0.000) 3.063 16.805 ( 0.188 5.750 0.000) 5.753 17.028 ( 2.298 1.083 0.000) 2.540 17.385 ( -7.138 -5.135 0.000) 8.793 17.403 ( -9.357 -5.210 0.000) 10.710 17.651 ( 4.842 1.104 0.000) 4.967 17.663 ( 1.654 1.240 -0.000) 2.067 17.842 ( 7.451 -6.019 -0.000) 9.578 17.861 ( 6.106 -5.798 0.000) 8.420 19.766 ( 2.076 2.514 0.000) 3.261 19.773 ( 2.362 2.278 0.000) 3.282 20.511 ( -3.424 7.529 0.000) 8.271 20.529 ( -2.760 7.046 0.000) 7.567 21.339 ( -1.467 -2.156 -0.000) 2.608 21.380 ( -0.313 -2.301 0.000) 2.323 21.739 ( -3.291 -10.012 0.000) 10.539 21.792 ( -1.723 -10.469 0.000) 10.610 ======================= Grid point 228 (75/80) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 5.176 7.481 0.000) 9.097 2.893 ( -4.613 1.976 -0.000) 5.018 2.992 ( -8.211 -0.220 0.000) 8.214 3.121 ( -1.620 -2.041 -0.000) 2.606 3.292 ( 3.278 14.982 0.000) 15.337 3.424 ( -3.678 -1.816 0.000) 4.101 3.491 ( -3.651 3.299 -0.000) 4.921 3.542 ( -4.109 8.586 -0.000) 9.519 3.593 ( 2.963 0.925 0.000) 3.104 3.739 ( 4.906 -0.346 0.000) 4.919 3.760 ( 0.696 8.483 0.000) 8.512 3.927 ( -0.742 0.093 0.000) 0.747 4.026 ( 2.865 -1.218 -0.000) 3.114 4.121 ( 2.210 -13.385 0.000) 13.567 4.255 ( 0.350 -3.362 -0.000) 3.380 4.271 ( -0.576 -0.550 0.000) 0.797 4.539 ( -1.772 4.631 -0.000) 4.959 4.562 ( -2.556 4.363 0.000) 5.057 4.706 ( -6.099 -1.773 0.000) 6.352 4.782 ( -3.377 -5.243 0.000) 6.236 4.917 ( -6.779 17.772 0.000) 19.021 4.981 ( 2.810 2.200 0.000) 3.569 5.081 ( -0.543 -1.834 0.000) 1.912 5.100 ( -0.858 4.109 0.000) 4.198 5.303 ( 4.099 -3.674 0.000) 5.504 5.347 ( 2.697 -1.831 0.000) 3.259 5.446 ( 11.321 4.022 -0.000) 12.014 5.688 ( 1.801 0.262 0.000) 1.820 5.742 ( -1.572 1.603 0.000) 2.246 5.752 ( -1.559 4.223 -0.000) 4.502 5.889 ( -1.402 -0.981 0.000) 1.712 5.923 ( 4.696 0.803 0.000) 4.765 6.037 ( 6.615 -0.847 0.000) 6.669 6.097 ( 2.738 1.910 0.000) 3.339 6.196 ( 7.975 2.033 0.000) 8.230 6.254 ( 3.582 0.313 0.000) 3.595 6.650 ( -3.188 5.605 -0.000) 6.448 6.666 ( -0.879 2.801 0.000) 2.935 6.946 ( 4.201 -6.729 0.000) 7.933 7.109 ( -4.499 3.329 0.000) 5.597 7.138 ( -0.094 -13.956 0.000) 13.956 7.154 ( -2.821 0.660 0.000) 2.897 7.449 ( -4.071 -4.751 0.000) 6.256 7.494 ( -4.625 -5.320 -0.000) 7.050 7.590 ( 0.634 -2.070 0.000) 2.165 7.621 ( -1.387 -4.090 0.000) 4.319 7.717 ( -1.178 -3.105 -0.000) 3.321 7.724 ( -1.192 -4.872 0.000) 5.016 8.133 ( -4.224 1.800 0.000) 4.591 8.213 ( -5.967 -1.147 0.000) 6.076 8.586 ( 2.674 7.805 0.000) 8.250 8.637 ( 1.456 8.967 0.000) 9.085 9.055 ( 4.368 -2.466 0.000) 5.016 9.218 ( 0.209 -5.954 0.000) 5.957 9.439 ( 4.087 2.225 -0.000) 4.654 9.449 ( 1.876 3.588 0.000) 4.049 9.629 ( -4.303 2.886 0.000) 5.181 9.645 ( -1.897 4.201 0.000) 4.609 9.694 ( -4.472 0.568 0.000) 4.508 9.793 ( -2.149 -2.953 0.000) 3.652 10.080 ( -3.112 2.333 -0.000) 3.889 10.084 ( -2.303 3.988 0.000) 4.605 10.107 ( 3.068 1.256 0.000) 3.315 10.175 ( 0.362 -1.106 -0.000) 1.163 10.440 ( 4.242 -4.787 -0.000) 6.396 10.534 ( -1.670 -5.129 0.000) 5.395 10.544 ( 0.213 -3.491 -0.000) 3.498 10.602 ( 2.700 -6.461 0.000) 7.003 11.354 ( 0.106 -2.218 -0.000) 2.221 11.375 ( -1.509 -2.473 0.000) 2.897 11.547 ( 3.117 -2.431 0.000) 3.953 11.563 ( 7.234 -2.883 0.000) 7.787 11.653 ( -2.062 -1.095 -0.000) 2.335 11.656 ( -0.380 -0.801 0.000) 0.886 11.826 ( -1.801 1.646 0.000) 2.439 11.882 ( -4.597 0.278 -0.000) 4.606 12.646 ( -0.788 -2.730 0.000) 2.842 12.665 ( -1.855 -3.023 0.000) 3.547 12.974 ( 2.823 2.795 0.000) 3.973 12.990 ( 1.967 2.161 0.000) 2.923 13.973 ( -1.900 2.544 0.000) 3.175 14.039 ( -4.592 -0.126 0.000) 4.594 14.194 ( -0.373 2.309 0.000) 2.339 14.237 ( -1.749 0.740 0.000) 1.899 14.288 ( 0.685 -0.178 0.000) 0.707 14.347 ( -2.551 -3.065 0.000) 3.988 14.788 ( 3.014 5.071 0.000) 5.899 14.827 ( 1.552 5.672 0.000) 5.881 14.927 ( -0.735 0.289 0.000) 0.790 15.019 ( -2.938 -0.094 0.000) 2.940 15.471 ( 1.186 8.882 0.000) 8.961 15.566 ( -0.962 1.752 0.000) 1.999 15.616 ( -2.886 3.417 0.000) 4.473 15.646 ( -3.259 5.890 -0.000) 6.732 15.978 ( 2.958 -2.766 0.000) 4.050 16.013 ( 2.137 -2.140 -0.000) 3.024 16.051 ( 0.177 -2.582 0.000) 2.588 16.133 ( -4.455 -2.313 0.000) 5.020 16.306 ( 6.181 -7.252 -0.000) 9.529 16.375 ( 4.734 -4.579 0.000) 6.586 16.623 ( 0.006 6.181 0.000) 6.181 16.690 ( -3.030 9.103 0.000) 9.594 16.770 ( 3.758 2.436 0.000) 4.478 16.799 ( 4.267 3.383 0.000) 5.446 16.920 ( 4.154 -4.050 0.000) 5.801 17.004 ( -3.515 -4.354 0.000) 5.595 17.241 ( -5.272 -2.669 0.000) 5.909 17.257 ( -4.715 -3.454 0.000) 5.845 17.735 ( 4.176 4.826 0.000) 6.382 17.746 ( 3.932 4.114 -0.000) 5.690 17.964 ( 3.719 -5.530 -0.000) 6.664 17.964 ( 3.315 -5.408 0.000) 6.343 19.825 ( 3.112 2.747 0.000) 4.151 19.835 ( 2.996 2.452 0.000) 3.871 20.429 ( -3.659 6.305 0.000) 7.289 20.451 ( -4.028 5.749 0.000) 7.020 21.316 ( -0.567 -3.751 0.000) 3.794 21.355 ( -1.817 -4.548 0.000) 4.897 21.685 ( -1.378 -6.508 0.000) 6.652 21.738 ( -2.953 -7.607 0.000) 8.160 ======================= Grid point 230 (76/80) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -2.451 -0.298 0.000) 2.469 2.868 ( 2.451 -0.298 0.000) 2.469 3.014 ( -6.170 3.721 0.000) 7.205 3.014 ( 6.170 3.721 0.000) 7.205 3.404 ( -0.961 6.484 0.000) 6.554 3.404 ( 0.961 6.484 0.000) 6.554 3.430 ( -5.435 5.497 0.000) 7.730 3.430 ( 5.435 5.497 0.000) 7.730 3.685 ( -4.340 1.586 0.000) 4.621 3.685 ( 4.340 1.586 0.000) 4.621 3.869 ( -4.395 6.512 0.000) 7.857 3.869 ( 4.395 6.512 -0.000) 7.857 4.106 ( -3.453 -7.798 0.000) 8.528 4.106 ( 3.453 -7.798 0.000) 8.528 4.262 ( -0.138 -0.230 0.000) 0.268 4.262 ( 0.138 -0.230 0.000) 0.268 4.545 ( -0.860 4.426 0.000) 4.509 4.545 ( 0.860 4.426 0.000) 4.509 4.651 ( -3.641 -0.841 0.000) 3.737 4.651 ( 3.641 -0.841 0.000) 3.737 4.951 ( -5.411 7.367 0.000) 9.141 4.951 ( 5.411 7.367 0.000) 9.141 5.083 ( -0.262 -2.259 0.000) 2.274 5.083 ( 0.262 -2.259 0.000) 2.274 5.355 ( -0.981 -3.755 0.000) 3.881 5.355 ( 0.981 -3.755 0.000) 3.881 5.628 ( -5.443 -0.162 0.000) 5.446 5.628 ( 5.443 -0.162 0.000) 5.446 5.747 ( -1.473 1.390 0.000) 2.025 5.747 ( 1.473 1.390 0.000) 2.025 5.924 ( -3.434 2.432 0.000) 4.208 5.924 ( 3.434 2.432 0.000) 4.208 6.113 ( -0.624 -0.232 0.000) 0.666 6.113 ( 0.624 -0.232 0.000) 0.666 6.315 ( -1.053 3.410 0.000) 3.569 6.315 ( 1.053 3.410 0.000) 3.569 6.625 ( -1.549 6.639 0.000) 6.817 6.625 ( 1.549 6.639 0.000) 6.817 7.027 ( -3.038 2.655 0.000) 4.035 7.027 ( 3.038 2.655 0.000) 4.035 7.141 ( -0.633 -9.570 0.000) 9.591 7.141 ( 0.633 -9.570 0.000) 9.591 7.388 ( -1.476 -7.409 0.000) 7.555 7.388 ( 1.476 -7.409 0.000) 7.555 7.615 ( -0.758 -5.270 0.000) 5.324 7.615 ( 0.758 -5.270 0.000) 5.324 7.712 ( -0.148 -2.677 0.000) 2.681 7.712 ( 0.148 -2.677 0.000) 2.681 8.110 ( -2.543 -0.623 0.000) 2.618 8.110 ( 2.543 -0.623 0.000) 2.618 8.637 ( -1.579 9.226 0.000) 9.360 8.637 ( 1.579 9.226 0.000) 9.360 9.162 ( -4.912 -4.153 0.000) 6.433 9.162 ( 4.912 -4.153 0.000) 6.433 9.464 ( -0.137 2.716 0.000) 2.720 9.464 ( 0.137 2.716 0.000) 2.720 9.594 ( -1.173 5.490 0.000) 5.614 9.594 ( 1.173 5.490 0.000) 5.614 9.735 ( -4.290 -4.672 0.000) 6.342 9.735 ( 4.290 -4.672 0.000) 6.342 10.039 ( -0.100 2.767 0.000) 2.769 10.039 ( 0.100 2.767 0.000) 2.769 10.162 ( -1.805 2.423 0.000) 3.021 10.162 ( 1.805 2.423 -0.000) 3.021 10.498 ( -1.531 -2.924 0.000) 3.301 10.498 ( 1.531 -2.924 0.000) 3.301 10.597 ( -3.107 -8.705 0.000) 9.243 10.597 ( 3.107 -8.705 0.000) 9.243 11.347 ( -0.492 -0.416 0.000) 0.644 11.347 ( 0.492 -0.416 0.000) 0.644 11.601 ( -2.259 -1.833 0.000) 2.909 11.601 ( 2.259 -1.833 0.000) 2.909 11.690 ( -1.665 -1.705 0.000) 2.383 11.690 ( 1.665 -1.705 0.000) 2.383 11.789 ( -1.752 0.917 -0.000) 1.978 11.789 ( 1.752 0.917 0.000) 1.978 12.642 ( -0.383 -3.259 0.000) 3.282 12.642 ( 0.383 -3.259 0.000) 3.282 13.008 ( -0.331 2.879 0.000) 2.898 13.008 ( 0.331 2.879 0.000) 2.898 13.966 ( -1.655 1.466 0.000) 2.211 13.966 ( 1.655 1.466 0.000) 2.211 14.200 ( -1.104 1.640 0.000) 1.978 14.200 ( 1.104 1.640 0.000) 1.978 14.314 ( -1.301 -2.126 0.000) 2.493 14.314 ( 1.301 -2.126 0.000) 2.493 14.838 ( -1.219 5.060 0.000) 5.205 14.838 ( 1.219 5.060 0.000) 5.205 14.944 ( -2.918 -0.712 0.000) 3.004 14.944 ( 2.918 -0.712 0.000) 3.004 15.546 ( -4.912 7.180 -0.000) 8.700 15.546 ( 4.912 7.180 0.000) 8.700 15.573 ( -1.079 4.896 0.000) 5.013 15.573 ( 1.079 4.896 0.000) 5.013 16.043 ( -2.357 0.126 0.000) 2.361 16.043 ( 2.357 0.126 0.000) 2.361 16.053 ( -0.351 -4.027 0.000) 4.042 16.053 ( 0.351 -4.027 -0.000) 4.042 16.402 ( -2.058 -8.616 -0.000) 8.858 16.402 ( 2.058 -8.616 0.000) 8.858 16.638 ( -1.640 7.749 0.000) 7.920 16.638 ( 1.640 7.749 0.000) 7.920 16.844 ( -1.769 1.968 0.000) 2.646 16.844 ( 1.769 1.968 0.000) 2.646 16.948 ( -0.346 -5.112 0.000) 5.124 16.948 ( 0.346 -5.112 0.000) 5.124 17.196 ( -0.759 -2.124 0.000) 2.255 17.196 ( 0.759 -2.124 0.000) 2.255 17.791 ( -0.318 4.864 0.000) 4.875 17.791 ( 0.318 4.864 0.000) 4.875 17.999 ( -0.104 -4.715 0.000) 4.716 17.999 ( 0.104 -4.715 0.000) 4.716 19.869 ( -0.358 2.849 0.000) 2.871 19.869 ( 0.358 2.849 0.000) 2.871 20.392 ( -0.738 5.173 0.000) 5.226 20.392 ( 0.738 5.173 0.000) 5.226 21.321 ( -1.095 -4.998 0.000) 5.117 21.321 ( 1.095 -4.998 0.000) 5.117 21.687 ( -1.509 -5.542 0.000) 5.744 21.687 ( 1.509 -5.542 0.000) 5.744 ======================= Grid point 238 (77/80) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 -0.000) 0.000 3.248 ( 0.000 0.000 -0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 -0.000 -0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 -0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 -0.000 0.000) 0.000 5.063 ( 0.000 -0.000 0.000) 0.000 5.067 ( 0.000 0.000 0.000) 0.000 5.067 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 -0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 -0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 -0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 -0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.773 ( 0.000 0.000 0.000) 0.000 7.773 ( 0.000 -0.000 0.000) 0.000 8.382 ( 0.000 0.000 -0.000) 0.000 8.382 ( 0.000 0.000 -0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 9.808 ( 0.000 0.000 -0.000) 0.000 9.808 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 -0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 -0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 11.312 ( 0.000 -0.000 -0.000) 0.000 11.312 ( 0.000 -0.000 0.000) 0.000 11.325 ( 0.000 0.000 -0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 11.779 ( 0.000 0.000 0.000) 0.000 11.779 ( 0.000 0.000 0.000) 0.000 11.879 ( 0.000 0.000 -0.000) 0.000 11.879 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 12.872 ( 0.000 0.000 0.000) 0.000 12.872 ( 0.000 0.000 0.000) 0.000 14.069 ( 0.000 0.000 0.000) 0.000 14.069 ( 0.000 0.000 0.000) 0.000 14.233 ( 0.000 0.000 0.000) 0.000 14.233 ( 0.000 0.000 0.000) 0.000 14.469 ( 0.000 0.000 0.000) 0.000 14.469 ( 0.000 0.000 0.000) 0.000 14.777 ( 0.000 -0.000 0.000) 0.000 14.777 ( 0.000 0.000 0.000) 0.000 15.055 ( 0.000 0.000 0.000) 0.000 15.055 ( 0.000 0.000 0.000) 0.000 15.618 ( 0.000 0.000 0.000) 0.000 15.618 ( 0.000 0.000 0.000) 0.000 15.686 ( 0.000 0.000 -0.000) 0.000 15.686 ( 0.000 0.000 0.000) 0.000 15.868 ( 0.000 0.000 0.000) 0.000 15.868 ( 0.000 0.000 0.000) 0.000 16.036 ( 0.000 0.000 0.000) 0.000 16.036 ( 0.000 0.000 0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 16.719 ( 0.000 0.000 0.000) 0.000 16.719 ( 0.000 0.000 0.000) 0.000 16.732 ( 0.000 -0.000 0.000) 0.000 16.732 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.476 ( 0.000 0.000 0.000) 0.000 17.476 ( 0.000 0.000 0.000) 0.000 17.527 ( 0.000 0.000 -0.000) 0.000 17.527 ( 0.000 0.000 0.000) 0.000 17.714 ( 0.000 0.000 -0.000) 0.000 17.714 ( 0.000 0.000 0.000) 0.000 19.773 ( 0.000 0.000 0.000) 0.000 19.773 ( 0.000 0.000 0.000) 0.000 20.649 ( 0.000 0.000 0.000) 0.000 20.649 ( 0.000 0.000 0.000) 0.000 21.362 ( 0.000 0.000 0.000) 0.000 21.362 ( 0.000 0.000 0.000) 0.000 21.649 ( 0.000 -0.000 0.000) 0.000 21.649 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 242 (78/80) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 0.098 -6.935 0.000) 6.935 2.995 ( 0.098 6.935 0.000) 6.935 3.148 ( -7.752 -4.607 -0.000) 9.018 3.148 ( -7.752 4.607 0.000) 9.018 3.452 ( 1.891 -1.253 0.000) 2.269 3.452 ( 1.891 1.253 0.000) 2.269 3.512 ( 1.142 -7.289 0.000) 7.378 3.512 ( 1.142 7.289 0.000) 7.378 3.670 ( 4.139 -2.451 0.000) 4.810 3.670 ( 4.139 2.451 0.000) 4.810 3.863 ( -4.346 -0.685 0.000) 4.399 3.863 ( -4.346 0.685 0.000) 4.399 3.995 ( -1.085 -4.529 0.000) 4.657 3.995 ( -1.085 4.529 0.000) 4.657 4.173 ( 3.348 -2.524 0.000) 4.192 4.173 ( 3.348 2.524 0.000) 4.192 4.614 ( 3.143 -0.590 0.000) 3.198 4.614 ( 3.143 0.590 0.000) 3.198 4.820 ( -8.358 -0.120 0.000) 8.359 4.820 ( -8.358 0.120 0.000) 8.359 5.042 ( 2.290 -6.161 0.000) 6.573 5.042 ( 2.290 6.161 0.000) 6.573 5.155 ( -1.482 -0.874 0.000) 1.721 5.155 ( -1.482 0.874 0.000) 1.721 5.241 ( 3.514 -2.220 0.000) 4.157 5.241 ( 3.514 2.220 0.000) 4.157 5.623 ( -5.881 -11.550 0.000) 12.961 5.623 ( -5.881 11.550 0.000) 12.961 5.761 ( 3.769 -0.022 0.000) 3.769 5.761 ( 3.769 0.022 0.000) 3.769 5.805 ( 4.461 -1.749 0.000) 4.792 5.805 ( 4.461 1.749 0.000) 4.792 6.014 ( 7.532 -0.952 -0.000) 7.592 6.014 ( 7.532 0.952 0.000) 7.592 6.138 ( -3.255 -9.104 0.000) 9.668 6.138 ( -3.255 9.104 0.000) 9.668 6.637 ( 5.428 -3.412 0.000) 6.411 6.637 ( 5.428 3.412 0.000) 6.411 6.885 ( -0.868 -7.231 0.000) 7.283 6.885 ( -0.868 7.231 0.000) 7.283 7.229 ( -2.521 -0.753 0.000) 2.632 7.229 ( -2.521 0.753 0.000) 2.632 7.462 ( 0.303 -0.997 0.000) 1.042 7.462 ( 0.303 0.997 0.000) 1.042 7.651 ( -3.767 -2.269 0.000) 4.397 7.651 ( -3.767 2.269 0.000) 4.397 7.731 ( -3.048 -1.328 0.000) 3.325 7.731 ( -3.048 1.328 0.000) 3.325 8.309 ( -5.877 -1.946 0.000) 6.191 8.309 ( -5.877 1.946 0.000) 6.191 8.625 ( 3.383 -2.183 0.000) 4.026 8.625 ( 3.383 2.183 0.000) 4.026 9.045 ( 2.267 -4.796 0.000) 5.305 9.045 ( 2.267 4.796 0.000) 5.305 9.418 ( 1.221 -2.006 0.000) 2.348 9.418 ( 1.221 2.006 0.000) 2.348 9.741 ( -3.409 -0.309 0.000) 3.423 9.741 ( -3.409 0.309 0.000) 3.423 9.883 ( -6.275 -0.040 0.000) 6.275 9.883 ( -6.275 0.040 0.000) 6.275 9.994 ( 7.585 -0.674 -0.000) 7.614 9.994 ( 7.585 0.674 -0.000) 7.614 10.203 ( -3.648 -0.980 0.000) 3.777 10.203 ( -3.648 0.980 0.000) 3.777 10.362 ( 2.806 -2.627 0.000) 3.844 10.362 ( 2.806 2.627 0.000) 3.844 10.557 ( -1.546 -1.078 0.000) 1.884 10.557 ( -1.546 1.078 0.000) 1.884 11.322 ( 1.159 -2.231 -0.000) 2.514 11.322 ( 1.159 2.231 0.000) 2.514 11.393 ( 5.469 -1.705 0.000) 5.728 11.393 ( 5.469 1.705 -0.000) 5.728 11.713 ( -4.432 -1.064 0.000) 4.558 11.713 ( -4.432 1.064 0.000) 4.558 11.898 ( 0.321 -3.079 0.000) 3.096 11.898 ( 0.321 3.079 -0.000) 3.096 12.681 ( -3.342 -1.241 0.000) 3.565 12.681 ( -3.342 1.241 0.000) 3.565 12.932 ( 4.086 -0.886 0.000) 4.181 12.932 ( 4.086 0.886 0.000) 4.181 14.060 ( -1.042 -1.940 0.000) 2.202 14.060 ( -1.042 1.940 0.000) 2.202 14.237 ( 0.254 -1.015 0.000) 1.046 14.237 ( 0.254 1.015 0.000) 1.046 14.391 ( -5.707 -2.704 0.000) 6.315 14.391 ( -5.707 2.704 0.000) 6.315 14.809 ( 2.338 -2.341 0.000) 3.308 14.809 ( 2.338 2.341 0.000) 3.308 15.034 ( -1.918 -3.470 0.000) 3.965 15.034 ( -1.918 3.470 0.000) 3.965 15.586 ( -1.799 -2.565 0.000) 3.133 15.586 ( -1.799 2.565 0.000) 3.133 15.711 ( 1.298 -0.642 0.000) 1.448 15.711 ( 1.298 0.642 -0.000) 1.448 15.912 ( 3.092 -4.849 -0.000) 5.751 15.912 ( 3.092 4.849 0.000) 5.751 16.017 ( -0.633 -1.736 0.000) 1.848 16.017 ( -0.633 1.736 0.000) 1.848 16.262 ( 1.685 -1.608 0.000) 2.329 16.262 ( 1.685 1.608 0.000) 2.329 16.724 ( 0.526 -3.108 0.000) 3.152 16.724 ( 0.526 3.108 0.000) 3.152 16.776 ( 3.582 -0.079 0.000) 3.582 16.776 ( 3.582 0.079 0.000) 3.582 16.965 ( -3.920 -7.041 0.000) 8.059 16.965 ( -3.920 7.041 0.000) 8.059 17.331 ( -7.085 -0.756 0.000) 7.126 17.331 ( -7.085 0.756 0.000) 7.126 17.690 ( 8.485 -1.160 0.000) 8.564 17.690 ( 8.485 1.160 0.000) 8.564 17.765 ( 4.140 -1.468 0.000) 4.393 17.765 ( 4.140 1.468 0.000) 4.393 19.797 ( 2.280 -0.210 0.000) 2.290 19.797 ( 2.280 0.210 0.000) 2.290 20.608 ( -3.685 -0.521 0.000) 3.722 20.608 ( -3.685 0.521 0.000) 3.722 21.335 ( -2.220 -1.777 0.000) 2.843 21.335 ( -2.220 1.777 0.000) 2.843 21.644 ( -0.525 -2.152 0.000) 2.215 21.644 ( -0.525 2.152 0.000) 2.215 ======================= Grid point 246 (79/80) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -5.721 -1.819 0.000) 6.003 2.943 ( -5.721 1.819 0.000) 6.003 3.045 ( -0.691 -4.815 0.000) 4.864 3.045 ( -0.691 4.815 -0.000) 4.864 3.408 ( -0.095 -1.112 0.000) 1.116 3.408 ( -0.095 1.112 0.000) 1.116 3.589 ( -1.689 -5.561 -0.000) 5.811 3.589 ( -1.689 5.561 -0.000) 5.811 3.770 ( 5.070 -12.951 0.000) 13.908 3.770 ( 5.070 12.951 0.000) 13.908 3.803 ( 0.298 -8.146 0.000) 8.152 3.803 ( 0.298 8.146 -0.000) 8.152 4.009 ( 2.177 -5.547 0.000) 5.959 4.009 ( 2.177 5.547 0.000) 5.959 4.221 ( 1.285 -2.834 0.000) 3.112 4.221 ( 1.285 2.834 0.000) 3.112 4.622 ( -2.332 -2.897 0.000) 3.719 4.622 ( -2.332 2.897 0.000) 3.719 4.676 ( -4.328 -3.932 0.000) 5.848 4.676 ( -4.328 3.932 -0.000) 5.848 5.035 ( -0.605 -2.167 0.000) 2.250 5.035 ( -0.605 2.167 0.000) 2.250 5.196 ( 3.068 -4.556 0.000) 5.492 5.196 ( 3.068 4.556 0.000) 5.492 5.242 ( -5.013 -9.445 0.000) 10.693 5.242 ( -5.013 9.445 0.000) 10.693 5.575 ( 2.247 -8.043 0.000) 8.351 5.575 ( 2.247 8.043 0.000) 8.351 5.779 ( 0.771 -1.577 0.000) 1.755 5.779 ( 0.771 1.577 0.000) 1.755 5.938 ( 3.042 -0.972 0.000) 3.194 5.938 ( 3.042 0.972 0.000) 3.194 6.067 ( 0.864 -4.546 0.000) 4.628 6.067 ( 0.864 4.546 0.000) 4.628 6.231 ( 9.381 -1.465 0.000) 9.495 6.231 ( 9.381 1.465 0.000) 9.495 6.763 ( 5.990 -4.695 0.000) 7.611 6.763 ( 5.990 4.695 0.000) 7.611 6.852 ( -2.169 -9.565 0.000) 9.808 6.852 ( -2.169 9.565 0.000) 9.808 7.167 ( -2.947 -0.883 0.000) 3.076 7.167 ( -2.947 0.883 0.000) 3.076 7.404 ( -6.765 -1.426 0.000) 6.914 7.404 ( -6.765 1.426 0.000) 6.914 7.569 ( -2.145 -0.682 0.000) 2.251 7.569 ( -2.145 0.682 0.000) 2.251 7.693 ( -0.256 -0.203 0.000) 0.326 7.693 ( -0.256 0.203 0.000) 0.326 8.173 ( -6.147 -2.223 0.000) 6.537 8.173 ( -6.147 2.223 0.000) 6.537 8.701 ( 3.417 -2.530 0.000) 4.251 8.701 ( 3.417 2.530 0.000) 4.251 9.094 ( 1.955 -5.515 0.000) 5.851 9.094 ( 1.955 5.515 0.000) 5.851 9.472 ( 2.754 -0.993 0.000) 2.928 9.472 ( 2.754 0.993 0.000) 2.928 9.662 ( -3.296 -0.333 0.000) 3.313 9.662 ( -3.296 0.333 0.000) 3.313 9.759 ( -4.648 -1.982 0.000) 5.053 9.759 ( -4.648 1.982 0.000) 5.053 10.117 ( -2.943 -0.909 -0.000) 3.080 10.117 ( -2.943 0.909 0.000) 3.080 10.139 ( 4.520 -1.798 -0.000) 4.864 10.139 ( 4.520 1.798 0.000) 4.864 10.410 ( 1.550 -3.533 0.000) 3.858 10.410 ( 1.550 3.533 0.000) 3.858 10.530 ( -0.915 -1.529 0.000) 1.781 10.530 ( -0.915 1.529 0.000) 1.781 11.341 ( 0.370 -0.754 -0.000) 0.840 11.341 ( 0.370 0.754 0.000) 0.840 11.524 ( 5.902 -0.450 0.000) 5.920 11.524 ( 5.902 0.450 0.000) 5.920 11.644 ( -1.185 -0.177 0.000) 1.198 11.644 ( -1.185 0.177 0.000) 1.198 11.866 ( -3.289 -1.764 0.000) 3.732 11.866 ( -3.289 1.764 -0.000) 3.732 12.625 ( -1.789 -0.650 0.000) 1.903 12.625 ( -1.789 0.650 0.000) 1.903 13.008 ( 2.779 -0.415 0.000) 2.810 13.008 ( 2.779 0.415 0.000) 2.810 14.017 ( -2.798 -1.729 0.000) 3.289 14.017 ( -2.798 1.729 0.000) 3.289 14.232 ( -0.792 -1.184 0.000) 1.425 14.232 ( -0.792 1.184 0.000) 1.425 14.305 ( -1.681 -1.397 0.000) 2.186 14.305 ( -1.681 1.397 0.000) 2.186 14.860 ( 2.400 -1.910 0.000) 3.067 14.860 ( 2.400 1.910 0.000) 3.067 14.979 ( -3.107 -3.633 0.000) 4.780 14.979 ( -3.107 3.633 0.000) 4.780 15.566 ( -0.102 -1.359 -0.000) 1.363 15.566 ( -0.102 1.359 0.000) 1.363 15.719 ( -0.508 -1.740 0.000) 1.813 15.719 ( -0.508 1.740 0.000) 1.813 15.962 ( 1.990 -2.769 0.000) 3.410 15.962 ( 1.990 2.769 0.000) 3.410 16.037 ( 1.615 -2.249 0.000) 2.769 16.037 ( 1.615 2.249 0.000) 2.769 16.287 ( 0.596 -3.291 0.000) 3.345 16.287 ( 0.596 3.291 0.000) 3.345 16.740 ( 0.871 -4.246 0.000) 4.334 16.740 ( 0.871 4.246 0.000) 4.334 16.854 ( 3.118 -1.556 0.000) 3.485 16.854 ( 3.118 1.556 0.000) 3.485 16.883 ( -3.271 -6.990 0.000) 7.718 16.883 ( -3.271 6.990 0.000) 7.718 17.210 ( -4.092 -0.345 0.000) 4.106 17.210 ( -4.092 0.345 0.000) 4.106 17.841 ( 5.290 -0.264 0.000) 5.296 17.841 ( 5.290 0.264 -0.000) 5.296 17.853 ( 3.517 -0.006 0.000) 3.517 17.853 ( 3.517 0.006 -0.000) 3.517 19.860 ( 3.258 -0.297 0.000) 3.271 19.860 ( 3.258 0.297 0.000) 3.271 20.512 ( -4.708 -0.698 0.000) 4.760 20.512 ( -4.708 0.698 0.000) 4.760 21.286 ( -2.002 -1.331 0.000) 2.404 21.286 ( -2.002 1.331 0.000) 2.404 21.630 ( -0.627 -1.778 0.000) 1.886 21.630 ( -0.627 1.778 0.000) 1.886 ======================= Grid point 250 (80/80) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.46e-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 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 0.000 0.000 0.000) 0.000 2.871 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 -0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.453 ( -0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 -0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 -0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 -0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 -0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.144 ( -0.000 0.000 0.000) 0.000 5.245 ( -0.000 -0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 -0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.819 ( 0.000 -0.000 0.000) 0.000 6.819 ( -0.000 0.000 0.000) 0.000 6.848 ( 0.000 -0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.289 ( -0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.554 ( 0.000 0.000 0.000) 0.000 7.554 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 -0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 8.743 ( 0.000 -0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.491 ( -0.000 0.000 0.000) 0.000 9.660 ( -0.000 -0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.686 ( -0.000 0.000 -0.000) 0.000 9.686 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 -0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 -0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 10.427 ( 0.000 0.000 0.000) 0.000 10.427 ( 0.000 -0.000 0.000) 0.000 10.519 ( 0.000 0.000 0.000) 0.000 10.519 ( -0.000 0.000 0.000) 0.000 11.342 ( 0.000 0.000 -0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 -0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 11.800 ( 0.000 0.000 -0.000) 0.000 11.800 ( 0.000 0.000 0.000) 0.000 12.607 ( 0.000 0.000 0.000) 0.000 12.607 ( 0.000 0.000 0.000) 0.000 13.039 ( 0.000 0.000 0.000) 0.000 13.039 ( 0.000 0.000 0.000) 0.000 13.979 ( 0.000 0.000 0.000) 0.000 13.979 ( 0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 14.294 ( 0.000 -0.000 0.000) 0.000 14.294 ( 0.000 0.000 0.000) 0.000 14.908 ( -0.000 -0.000 0.000) 0.000 14.908 ( 0.000 0.000 0.000) 0.000 14.920 ( 0.000 0.000 0.000) 0.000 14.920 ( -0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 15.708 ( -0.000 0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 15.993 ( 0.000 0.000 0.000) 0.000 15.993 ( 0.000 0.000 0.000) 0.000 16.050 ( 0.000 0.000 0.000) 0.000 16.050 ( 0.000 0.000 0.000) 0.000 16.293 ( 0.000 -0.000 0.000) 0.000 16.293 ( 0.000 0.000 0.000) 0.000 16.753 ( -0.000 -0.000 0.000) 0.000 16.753 ( 0.000 0.000 0.000) 0.000 16.840 ( 0.000 0.000 -0.000) 0.000 16.840 ( 0.000 0.000 0.000) 0.000 16.892 ( 0.000 0.000 0.000) 0.000 16.892 ( 0.000 0.000 0.000) 0.000 17.166 ( 0.000 0.000 0.000) 0.000 17.166 ( 0.000 0.000 0.000) 0.000 17.893 ( 0.000 -0.000 0.000) 0.000 17.893 ( 0.000 0.000 0.000) 0.000 17.898 ( 0.000 -0.000 0.000) 0.000 17.898 ( 0.000 0.000 0.000) 0.000 19.903 ( 0.000 0.000 0.000) 0.000 19.903 ( 0.000 0.000 0.000) 0.000 20.453 ( 0.000 0.000 0.000) 0.000 20.453 ( 0.000 0.000 0.000) 0.000 21.264 ( -0.000 0.000 0.000) 0.000 21.264 ( 0.000 0.000 0.000) 0.000 21.623 ( 0.000 0.000 0.000) 0.000 21.623 ( 0.000 0.000 0.000) 0.000 =================== 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 3/34560 10.0 1724.654 3166.540 3307.480 0.000 0.000 0.000 3/34560 20.0 492.696 456.708 584.657 0.000 0.000 0.000 3/34560 30.0 143.027 130.265 172.607 0.000 0.000 0.000 3/34560 40.0 63.715 60.398 79.188 0.000 0.000 0.000 3/34560 50.0 36.189 35.585 45.991 0.000 0.000 0.000 3/34560 60.0 23.808 24.019 30.734 0.000 0.000 0.000 3/34560 70.0 17.201 17.657 22.449 0.000 0.000 0.000 3/34560 80.0 13.238 13.752 17.410 0.000 0.000 0.000 3/34560 90.0 10.656 11.163 14.090 0.000 0.000 0.000 3/34560 100.0 8.865 9.344 11.768 0.000 0.000 0.000 3/34560 110.0 7.563 8.008 10.068 0.000 0.000 0.000 3/34560 120.0 6.581 6.992 8.779 0.000 0.000 0.000 3/34560 130.0 5.817 6.196 7.773 0.000 0.000 0.000 3/34560 140.0 5.208 5.559 6.969 0.000 0.000 0.000 3/34560 150.0 4.713 5.038 6.314 0.000 0.000 0.000 3/34560 160.0 4.304 4.605 5.772 0.000 0.000 0.000 3/34560 170.0 3.960 4.241 5.316 0.000 0.000 0.000 3/34560 180.0 3.668 3.930 4.928 0.000 0.000 0.000 3/34560 190.0 3.416 3.662 4.595 0.000 0.000 0.000 3/34560 200.0 3.198 3.429 4.305 0.000 0.000 0.000 3/34560 210.0 3.006 3.224 4.051 0.000 0.000 0.000 3/34560 220.0 2.837 3.043 3.827 0.000 0.000 0.000 3/34560 230.0 2.687 2.881 3.627 0.000 0.000 0.000 3/34560 240.0 2.552 2.736 3.448 0.000 0.000 0.000 3/34560 250.0 2.431 2.606 3.287 0.000 0.000 0.000 3/34560 260.0 2.321 2.488 3.142 0.000 0.000 0.000 3/34560 270.0 2.221 2.380 3.009 0.000 0.000 0.000 3/34560 280.0 2.130 2.282 2.888 0.000 0.000 0.000 3/34560 290.0 2.046 2.192 2.777 0.000 0.000 0.000 3/34560 300.0 1.969 2.109 2.674 0.000 0.000 0.000 3/34560 310.0 1.897 2.032 2.579 0.000 0.000 0.000 3/34560 320.0 1.831 1.960 2.491 0.000 0.000 0.000 3/34560 330.0 1.770 1.894 2.409 0.000 0.000 0.000 3/34560 340.0 1.712 1.832 2.333 0.000 0.000 0.000 3/34560 350.0 1.659 1.775 2.261 0.000 0.000 0.000 3/34560 360.0 1.609 1.721 2.194 0.000 0.000 0.000 3/34560 370.0 1.561 1.670 2.131 0.000 0.000 0.000 3/34560 380.0 1.517 1.622 2.072 0.000 0.000 0.000 3/34560 390.0 1.475 1.577 2.016 0.000 0.000 0.000 3/34560 400.0 1.436 1.535 1.963 0.000 0.000 0.000 3/34560 410.0 1.398 1.494 1.913 0.000 0.000 0.000 3/34560 420.0 1.363 1.456 1.866 0.000 0.000 0.000 3/34560 430.0 1.329 1.420 1.820 0.000 0.000 0.000 3/34560 440.0 1.297 1.386 1.778 0.000 0.000 0.000 3/34560 450.0 1.267 1.353 1.737 0.000 0.000 0.000 3/34560 460.0 1.238 1.322 1.698 0.000 0.000 0.000 3/34560 470.0 1.210 1.292 1.660 0.000 0.000 0.000 3/34560 480.0 1.184 1.264 1.625 0.000 0.000 0.000 3/34560 490.0 1.159 1.237 1.591 0.000 0.000 0.000 3/34560 500.0 1.134 1.211 1.558 0.000 0.000 0.000 3/34560 510.0 1.111 1.186 1.527 0.000 0.000 0.000 3/34560 520.0 1.089 1.162 1.497 0.000 0.000 0.000 3/34560 530.0 1.068 1.139 1.468 0.000 0.000 0.000 3/34560 540.0 1.047 1.117 1.440 0.000 0.000 0.000 3/34560 550.0 1.027 1.096 1.413 0.000 0.000 0.000 3/34560 560.0 1.009 1.076 1.388 0.000 0.000 0.000 3/34560 570.0 0.990 1.056 1.363 0.000 0.000 0.000 3/34560 580.0 0.973 1.037 1.339 0.000 0.000 0.000 3/34560 590.0 0.956 1.019 1.316 0.000 0.000 0.000 3/34560 600.0 0.939 1.001 1.294 0.000 0.000 0.000 3/34560 610.0 0.923 0.985 1.272 0.000 0.000 0.000 3/34560 620.0 0.908 0.968 1.252 0.000 0.000 0.000 3/34560 630.0 0.893 0.952 1.231 0.000 0.000 0.000 3/34560 640.0 0.879 0.937 1.212 0.000 0.000 0.000 3/34560 650.0 0.865 0.922 1.193 0.000 0.000 0.000 3/34560 660.0 0.852 0.908 1.175 0.000 0.000 0.000 3/34560 670.0 0.839 0.894 1.157 0.000 0.000 0.000 3/34560 680.0 0.826 0.880 1.140 0.000 0.000 0.000 3/34560 690.0 0.814 0.867 1.123 0.000 0.000 0.000 3/34560 700.0 0.802 0.855 1.107 0.000 0.000 0.000 3/34560 710.0 0.791 0.842 1.091 0.000 0.000 0.000 3/34560 720.0 0.779 0.830 1.076 0.000 0.000 0.000 3/34560 730.0 0.769 0.819 1.061 0.000 0.000 0.000 3/34560 740.0 0.758 0.807 1.047 0.000 0.000 0.000 3/34560 750.0 0.748 0.796 1.033 0.000 0.000 0.000 3/34560 760.0 0.738 0.786 1.019 0.000 0.000 0.000 3/34560 770.0 0.728 0.775 1.006 0.000 0.000 0.000 3/34560 780.0 0.718 0.765 0.993 0.000 0.000 0.000 3/34560 790.0 0.709 0.755 0.980 0.000 0.000 0.000 3/34560 800.0 0.700 0.746 0.968 0.000 0.000 0.000 3/34560 810.0 0.691 0.736 0.956 0.000 0.000 0.000 3/34560 820.0 0.683 0.727 0.944 0.000 0.000 0.000 3/34560 830.0 0.675 0.718 0.933 0.000 0.000 0.000 3/34560 840.0 0.666 0.710 0.921 0.000 0.000 0.000 3/34560 850.0 0.658 0.701 0.911 0.000 0.000 0.000 3/34560 860.0 0.651 0.693 0.900 0.000 0.000 0.000 3/34560 870.0 0.643 0.685 0.890 0.000 0.000 0.000 3/34560 880.0 0.636 0.677 0.879 0.000 0.000 0.000 3/34560 890.0 0.629 0.669 0.869 0.000 0.000 0.000 3/34560 900.0 0.621 0.662 0.860 0.000 0.000 0.000 3/34560 910.0 0.615 0.654 0.850 0.000 0.000 0.000 3/34560 920.0 0.608 0.647 0.841 0.000 0.000 0.000 3/34560 930.0 0.601 0.640 0.832 0.000 0.000 0.000 3/34560 940.0 0.595 0.633 0.823 0.000 0.000 0.000 3/34560 950.0 0.588 0.626 0.814 0.000 0.000 0.000 3/34560 960.0 0.582 0.620 0.806 0.000 0.000 0.000 3/34560 970.0 0.576 0.613 0.798 0.000 0.000 0.000 3/34560 980.0 0.570 0.607 0.789 0.000 0.000 0.000 3/34560 990.0 0.564 0.601 0.781 0.000 0.000 0.000 3/34560 1000.0 0.559 0.595 0.774 0.000 0.000 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m668.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:27:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|