----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:07:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.680650429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609036019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.459043130000000 Atomic positions (fractional): *1 Cd 0.00000000000000 0.09989603357807 0.75000000000000 112.411 *2 Cd 0.00000000000000 0.72400700093628 0.75000000000000 112.411 3 Cd 0.00000000000000 0.27599299906372 0.25000000000000 112.411 4 Cd 0.00000000000000 0.90010396642193 0.25000000000000 112.411 5 Cd 0.50000000000000 0.59989603357807 0.75000000000000 112.411 6 Cd 0.50000000000000 0.22400700093628 0.75000000000000 112.411 7 Cd 0.50000000000000 0.77599299906372 0.25000000000000 112.411 8 Cd 0.50000000000000 0.40010396642192 0.25000000000000 112.411 *9 Si 0.20615543113038 0.41614953132268 0.90430926196658 28.085 10 Si 0.20615543113038 0.58385046867732 0.40430926196658 28.085 11 Si 0.29384456886962 0.91614953132268 0.90430926196658 28.085 12 Si 0.29384456886962 0.08385046867732 0.40430926196658 28.085 13 Si 0.70615543113038 0.91614953132268 0.59569073803342 28.085 14 Si 0.70615543113038 0.08385046867732 0.09569073803342 28.085 15 Si 0.79384456886962 0.58385046867732 0.09569073803342 28.085 16 Si 0.79384456886962 0.41614953132268 0.59569073803342 28.085 *17 O 0.12580242114961 0.91068981982537 0.90328373389587 15.999 18 O 0.12580242114961 0.08931018017463 0.40328373389587 15.999 *19 O 0.13015243571826 0.73299901400702 0.43035591906386 15.999 20 O 0.13015243571826 0.26700098599298 0.93035591906386 15.999 *21 O 0.15201093498954 0.50287438441725 0.15308491252139 15.999 22 O 0.15201093498954 0.49712561558275 0.65308491252139 15.999 23 O 0.34798906501046 0.99712561558275 0.65308491252139 15.999 24 O 0.34798906501046 0.00287438441725 0.15308491252139 15.999 25 O 0.36984756428174 0.76700098599298 0.93035591906386 15.999 26 O 0.36984756428174 0.23299901400702 0.43035591906386 15.999 27 O 0.37419757885039 0.41068981982537 0.90328373389587 15.999 28 O 0.37419757885039 0.58931018017463 0.40328373389587 15.999 29 O 0.62580242114961 0.58931018017463 0.09671626610413 15.999 30 O 0.62580242114961 0.41068981982537 0.59671626610413 15.999 31 O 0.63015243571826 0.76700098599298 0.56964408093614 15.999 32 O 0.63015243571826 0.23299901400702 0.06964408093614 15.999 33 O 0.65201093498954 0.99712561558275 0.84691508747861 15.999 34 O 0.65201093498954 0.00287438441725 0.34691508747861 15.999 35 O 0.84798906501046 0.49712561558275 0.84691508747861 15.999 36 O 0.84798906501046 0.50287438441725 0.34691508747861 15.999 37 O 0.86984756428174 0.73299901400702 0.06964408093614 15.999 38 O 0.86984756428174 0.26700098599298 0.56964408093614 15.999 39 O 0.87419757885039 0.91068981982537 0.59671626610413 15.999 40 O 0.87419757885039 0.08931018017463 0.09671626610413 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.680650429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609036019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.459043130000000 Atomic positions (fractional): *1 Cd 0.00000000000000 0.09989603357807 0.75000000000000 112.411 > 1 *2 Cd 0.00000000000000 0.72400700093628 0.75000000000000 112.411 > 2 3 Cd 0.00000000000000 0.27599299906372 0.25000000000000 112.411 > 3 4 Cd 0.00000000000000 0.90010396642193 0.25000000000000 112.411 > 4 5 Cd 0.50000000000000 0.59989603357807 0.75000000000000 112.411 > 5 6 Cd 0.50000000000000 0.22400700093628 0.75000000000000 112.411 > 6 7 Cd 0.50000000000000 0.77599299906372 0.25000000000000 112.411 > 7 8 Cd 0.50000000000000 0.40010396642192 0.25000000000000 112.411 > 8 *9 Si 0.20615543113038 0.41614953132268 0.90430926196658 28.085 > 9 10 Si 0.20615543113038 0.58385046867732 0.40430926196658 28.085 > 10 11 Si 0.29384456886962 0.91614953132268 0.90430926196658 28.085 > 11 12 Si 0.29384456886962 0.08385046867732 0.40430926196658 28.085 > 12 13 Si 0.70615543113038 0.91614953132268 0.59569073803342 28.085 > 13 14 Si 0.70615543113038 0.08385046867732 0.09569073803342 28.085 > 14 15 Si 0.79384456886962 0.58385046867732 0.09569073803342 28.085 > 15 16 Si 0.79384456886962 0.41614953132268 0.59569073803342 28.085 > 16 *17 O 0.12580242114961 0.91068981982537 0.90328373389587 15.999 > 17 18 O 0.12580242114961 0.08931018017463 0.40328373389587 15.999 > 18 *19 O 0.13015243571826 0.73299901400702 0.43035591906386 15.999 > 19 20 O 0.13015243571826 0.26700098599298 0.93035591906386 15.999 > 20 *21 O 0.15201093498954 0.50287438441725 0.15308491252139 15.999 > 21 22 O 0.15201093498954 0.49712561558275 0.65308491252139 15.999 > 22 23 O 0.34798906501046 0.99712561558275 0.65308491252139 15.999 > 23 24 O 0.34798906501046 0.00287438441725 0.15308491252139 15.999 > 24 25 O 0.36984756428174 0.76700098599298 0.93035591906386 15.999 > 25 26 O 0.36984756428174 0.23299901400702 0.43035591906386 15.999 > 26 27 O 0.37419757885039 0.41068981982537 0.90328373389587 15.999 > 27 28 O 0.37419757885039 0.58931018017463 0.40328373389587 15.999 > 28 29 O 0.62580242114961 0.58931018017463 0.09671626610413 15.999 > 29 30 O 0.62580242114961 0.41068981982537 0.59671626610413 15.999 > 30 31 O 0.63015243571826 0.76700098599298 0.56964408093614 15.999 > 31 32 O 0.63015243571826 0.23299901400702 0.06964408093614 15.999 > 32 33 O 0.65201093498954 0.99712561558275 0.84691508747861 15.999 > 33 34 O 0.65201093498954 0.00287438441725 0.34691508747861 15.999 > 34 35 O 0.84798906501046 0.49712561558275 0.84691508747861 15.999 > 35 36 O 0.84798906501046 0.50287438441725 0.34691508747861 15.999 > 36 37 O 0.86984756428174 0.73299901400702 0.06964408093614 15.999 > 37 38 O 0.86984756428174 0.26700098599298 0.56964408093614 15.999 > 38 39 O 0.87419757885039 0.91068981982537 0.59671626610413 15.999 > 39 40 O 0.87419757885039 0.08931018017463 0.09671626610413 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.680650429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609036019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.918086260000001 Atomic positions (fractional): *1 Cd 0.00000000000000 0.09989603357807 0.37500000000000 112.411 > 1 2 Cd 0.00000000000000 0.09989603357807 0.87500000000000 112.411 > 1 *3 Cd 0.00000000000000 0.72400700093628 0.37500000000000 112.411 > 2 4 Cd 0.00000000000000 0.72400700093628 0.87500000000000 112.411 > 2 5 Cd 0.00000000000000 0.27599299906372 0.12500000000000 112.411 > 3 6 Cd 0.00000000000000 0.27599299906372 0.62500000000000 112.411 > 3 7 Cd 0.00000000000000 0.90010396642193 0.12500000000000 112.411 > 4 8 Cd 0.00000000000000 0.90010396642193 0.62500000000000 112.411 > 4 9 Cd 0.50000000000000 0.59989603357807 0.37500000000000 112.411 > 5 10 Cd 0.50000000000000 0.59989603357807 0.87500000000000 112.411 > 5 11 Cd 0.50000000000000 0.22400700093628 0.37500000000000 112.411 > 6 12 Cd 0.50000000000000 0.22400700093628 0.87500000000000 112.411 > 6 13 Cd 0.50000000000000 0.77599299906372 0.12500000000000 112.411 > 7 14 Cd 0.50000000000000 0.77599299906372 0.62500000000000 112.411 > 7 15 Cd 0.50000000000000 0.40010396642192 0.12500000000000 112.411 > 8 16 Cd 0.50000000000000 0.40010396642192 0.62500000000000 112.411 > 8 *17 Si 0.20615543113038 0.41614953132268 0.45215463098329 28.085 > 9 18 Si 0.20615543113038 0.41614953132268 0.95215463098329 28.085 > 9 19 Si 0.20615543113038 0.58385046867732 0.20215463098329 28.085 > 10 20 Si 0.20615543113038 0.58385046867732 0.70215463098329 28.085 > 10 21 Si 0.29384456886962 0.91614953132268 0.45215463098329 28.085 > 11 22 Si 0.29384456886962 0.91614953132268 0.95215463098329 28.085 > 11 23 Si 0.29384456886962 0.08385046867732 0.20215463098329 28.085 > 12 24 Si 0.29384456886962 0.08385046867732 0.70215463098329 28.085 > 12 25 Si 0.70615543113038 0.91614953132268 0.29784536901671 28.085 > 13 26 Si 0.70615543113038 0.91614953132268 0.79784536901671 28.085 > 13 27 Si 0.70615543113038 0.08385046867732 0.04784536901671 28.085 > 14 28 Si 0.70615543113038 0.08385046867732 0.54784536901671 28.085 > 14 29 Si 0.79384456886962 0.58385046867732 0.04784536901671 28.085 > 15 30 Si 0.79384456886962 0.58385046867732 0.54784536901671 28.085 > 15 31 Si 0.79384456886962 0.41614953132268 0.29784536901671 28.085 > 16 32 Si 0.79384456886962 0.41614953132268 0.79784536901671 28.085 > 16 *33 O 0.12580242114961 0.91068981982537 0.45164186694794 15.999 > 17 34 O 0.12580242114961 0.91068981982537 0.95164186694794 15.999 > 17 35 O 0.12580242114961 0.08931018017463 0.20164186694794 15.999 > 18 36 O 0.12580242114961 0.08931018017463 0.70164186694794 15.999 > 18 *37 O 0.13015243571826 0.73299901400702 0.21517795953193 15.999 > 19 38 O 0.13015243571826 0.73299901400702 0.71517795953193 15.999 > 19 39 O 0.13015243571826 0.26700098599298 0.46517795953193 15.999 > 20 40 O 0.13015243571826 0.26700098599298 0.96517795953193 15.999 > 20 *41 O 0.15201093498954 0.50287438441725 0.07654245626069 15.999 > 21 42 O 0.15201093498954 0.50287438441725 0.57654245626069 15.999 > 21 43 O 0.15201093498954 0.49712561558275 0.32654245626069 15.999 > 22 44 O 0.15201093498954 0.49712561558275 0.82654245626069 15.999 > 22 45 O 0.34798906501046 0.99712561558275 0.32654245626069 15.999 > 23 46 O 0.34798906501046 0.99712561558275 0.82654245626069 15.999 > 23 47 O 0.34798906501046 0.00287438441725 0.07654245626069 15.999 > 24 48 O 0.34798906501046 0.00287438441725 0.57654245626069 15.999 > 24 49 O 0.36984756428174 0.76700098599298 0.46517795953193 15.999 > 25 50 O 0.36984756428174 0.76700098599298 0.96517795953193 15.999 > 25 51 O 0.36984756428174 0.23299901400702 0.21517795953193 15.999 > 26 52 O 0.36984756428174 0.23299901400702 0.71517795953193 15.999 > 26 53 O 0.37419757885039 0.41068981982537 0.45164186694794 15.999 > 27 54 O 0.37419757885039 0.41068981982537 0.95164186694794 15.999 > 27 55 O 0.37419757885039 0.58931018017463 0.20164186694794 15.999 > 28 56 O 0.37419757885039 0.58931018017463 0.70164186694794 15.999 > 28 57 O 0.62580242114961 0.58931018017463 0.04835813305206 15.999 > 29 58 O 0.62580242114961 0.58931018017463 0.54835813305206 15.999 > 29 59 O 0.62580242114961 0.41068981982537 0.29835813305206 15.999 > 30 60 O 0.62580242114961 0.41068981982537 0.79835813305206 15.999 > 30 61 O 0.63015243571826 0.76700098599298 0.28482204046807 15.999 > 31 62 O 0.63015243571826 0.76700098599298 0.78482204046807 15.999 > 31 63 O 0.63015243571826 0.23299901400702 0.03482204046807 15.999 > 32 64 O 0.63015243571826 0.23299901400702 0.53482204046807 15.999 > 32 65 O 0.65201093498954 0.99712561558275 0.42345754373931 15.999 > 33 66 O 0.65201093498954 0.99712561558275 0.92345754373931 15.999 > 33 67 O 0.65201093498954 0.00287438441725 0.17345754373931 15.999 > 34 68 O 0.65201093498954 0.00287438441725 0.67345754373931 15.999 > 34 69 O 0.84798906501046 0.49712561558275 0.42345754373931 15.999 > 35 70 O 0.84798906501046 0.49712561558275 0.92345754373931 15.999 > 35 71 O 0.84798906501046 0.50287438441725 0.17345754373931 15.999 > 36 72 O 0.84798906501046 0.50287438441725 0.67345754373931 15.999 > 36 73 O 0.86984756428174 0.73299901400702 0.03482204046807 15.999 > 37 74 O 0.86984756428174 0.73299901400702 0.53482204046807 15.999 > 37 75 O 0.86984756428174 0.26700098599298 0.28482204046807 15.999 > 38 76 O 0.86984756428174 0.26700098599298 0.78482204046807 15.999 > 38 77 O 0.87419757885039 0.91068981982537 0.29835813305206 15.999 > 39 78 O 0.87419757885039 0.91068981982537 0.79835813305206 15.999 > 39 79 O 0.87419757885039 0.08931018017463 0.04835813305206 15.999 > 40 80 O 0.87419757885039 0.08931018017463 0.54835813305206 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3844598 0.0000000 0.0000000 0.0000000 3.3786840 0.0000000 0.0000000 0.0000000 3.4214485 -------------------------- Born effective charges -------------------------- 1 Cd 2.1939458 0.0000000 -0.0283823 0.0000000 2.5132967 0.0000000 0.1381408 0.0000000 2.4456544 2 Cd 2.1793691 0.0000000 -0.3049327 0.0000000 2.4167139 0.0000000 -0.1374371 0.0000000 2.1905054 3 Cd 2.1793691 0.0000000 -0.3049327 0.0000000 2.4167139 0.0000000 -0.1374371 0.0000000 2.1905054 4 Cd 2.1939458 0.0000000 -0.0283823 0.0000000 2.5132967 0.0000000 0.1381408 0.0000000 2.4456544 5 Cd 2.1939458 0.0000000 0.0283823 0.0000000 2.5132967 0.0000000 -0.1381408 0.0000000 2.4456544 6 Cd 2.1793691 0.0000000 0.3049327 0.0000000 2.4167139 0.0000000 0.1374371 0.0000000 2.1905054 7 Cd 2.1793691 0.0000000 0.3049327 0.0000000 2.4167139 0.0000000 0.1374371 0.0000000 2.1905054 8 Cd 2.1939458 0.0000000 0.0283823 0.0000000 2.5132967 0.0000000 -0.1381408 0.0000000 2.4456544 9 Si 3.4513381 0.4503585 -0.0811575 0.0293890 3.0244727 -0.3214191 -0.0926975 -0.2590497 3.3554292 10 Si 3.4513381 -0.4503585 -0.0811575 -0.0293890 3.0244727 0.3214191 -0.0926975 0.2590497 3.3554292 11 Si 3.4513381 -0.4503585 0.0811575 -0.0293890 3.0244727 -0.3214191 0.0926975 -0.2590497 3.3554292 12 Si 3.4513381 0.4503585 0.0811575 0.0293890 3.0244727 0.3214191 0.0926975 0.2590497 3.3554292 13 Si 3.4513381 0.4503585 0.0811575 0.0293890 3.0244727 0.3214191 0.0926975 0.2590497 3.3554292 14 Si 3.4513381 -0.4503585 0.0811575 -0.0293890 3.0244727 -0.3214191 0.0926975 -0.2590497 3.3554292 15 Si 3.4513381 0.4503585 -0.0811575 0.0293890 3.0244727 -0.3214191 -0.0926975 -0.2590497 3.3554292 16 Si 3.4513381 -0.4503585 -0.0811575 -0.0293890 3.0244727 0.3214191 -0.0926975 0.2590497 3.3554292 17 O -2.4494177 0.0007959 0.0235143 -0.0910793 -1.6060058 0.0374334 -0.0304419 -0.0165346 -1.5829252 18 O -2.4494177 -0.0007959 0.0235143 0.0910793 -1.6060058 -0.0374334 -0.0304419 0.0165346 -1.5829252 19 O -1.6907228 0.6896055 0.1652959 0.6204457 -2.0661294 -0.0691663 0.1510673 0.0403428 -1.5923097 20 O -1.6907228 -0.6896055 0.1652959 -0.6204457 -2.0661294 0.0691663 0.1510673 -0.0403428 -1.5923097 21 O -1.4978551 -0.1315662 0.0136423 -0.1496747 -1.8173429 -0.8258334 -0.0368350 -0.9020123 -2.4982742 22 O -1.4978551 0.1315662 0.0136423 0.1496747 -1.8173429 0.8258334 -0.0368350 0.9020123 -2.4982742 23 O -1.4978551 -0.1315662 -0.0136423 -0.1496747 -1.8173429 0.8258334 0.0368350 0.9020123 -2.4982742 24 O -1.4978551 0.1315662 -0.0136423 0.1496747 -1.8173429 -0.8258334 0.0368350 -0.9020123 -2.4982742 25 O -1.6907228 0.6896055 -0.1652959 0.6204457 -2.0661294 0.0691663 -0.1510673 -0.0403428 -1.5923097 26 O -1.6907228 -0.6896055 -0.1652959 -0.6204457 -2.0661294 -0.0691663 -0.1510673 0.0403428 -1.5923097 27 O -2.4494177 -0.0007959 -0.0235143 0.0910793 -1.6060058 0.0374334 0.0304419 -0.0165346 -1.5829252 28 O -2.4494177 0.0007959 -0.0235143 -0.0910793 -1.6060058 -0.0374334 0.0304419 0.0165346 -1.5829252 29 O -2.4494177 -0.0007959 -0.0235143 0.0910793 -1.6060058 0.0374334 0.0304419 -0.0165346 -1.5829252 30 O -2.4494177 0.0007959 -0.0235143 -0.0910793 -1.6060058 -0.0374334 0.0304419 0.0165346 -1.5829252 31 O -1.6907228 -0.6896055 -0.1652959 -0.6204457 -2.0661294 -0.0691663 -0.1510673 0.0403428 -1.5923097 32 O -1.6907228 0.6896055 -0.1652959 0.6204457 -2.0661294 0.0691663 -0.1510673 -0.0403428 -1.5923097 33 O -1.4978551 0.1315662 -0.0136423 0.1496747 -1.8173429 -0.8258334 0.0368350 -0.9020123 -2.4982742 34 O -1.4978551 -0.1315662 -0.0136423 -0.1496747 -1.8173429 0.8258334 0.0368350 0.9020123 -2.4982742 35 O -1.4978551 -0.1315662 0.0136423 -0.1496747 -1.8173429 -0.8258334 -0.0368350 -0.9020123 -2.4982742 36 O -1.4978551 0.1315662 0.0136423 0.1496747 -1.8173429 0.8258334 -0.0368350 0.9020123 -2.4982742 37 O -1.6907228 -0.6896055 0.1652959 -0.6204457 -2.0661294 0.0691663 0.1510673 -0.0403428 -1.5923097 38 O -1.6907228 0.6896055 0.1652959 0.6204457 -2.0661294 -0.0691663 0.1510673 0.0403428 -1.5923097 39 O -2.4494177 -0.0007959 0.0235143 0.0910793 -1.6060058 -0.0374334 -0.0304419 0.0165346 -1.5829252 40 O -2.4494177 0.0007959 0.0235143 -0.0910793 -1.6060058 0.0374334 -0.0304419 -0.0165346 -1.5829252 ---------------------------------------------------------------------------- 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: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1848), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 396), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.175 Solver_block: 200 / 640 - Time: 2.182 Solver_block: 300 / 640 - Time: 2.179 Solver_block: 400 / 640 - Time: 2.174 Solver_block: 500 / 640 - Time: 2.173 Solver_block: 600 / 640 - Time: 2.181 Solver_block: 640 / 640 - Time: 0.943 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.055 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1848), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 396), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:07:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:07:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.680650429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609036019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.459043130000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.09989603357807 0.75000000000000 112.411 2 Cd 0.00000000000000 0.72400700093628 0.75000000000000 112.411 3 Cd 0.00000000000000 0.27599299906372 0.25000000000000 112.411 4 Cd 0.00000000000000 0.90010396642193 0.25000000000000 112.411 5 Cd 0.50000000000000 0.59989603357807 0.75000000000000 112.411 6 Cd 0.50000000000000 0.22400700093628 0.75000000000000 112.411 7 Cd 0.50000000000000 0.77599299906372 0.25000000000000 112.411 8 Cd 0.50000000000000 0.40010396642192 0.25000000000000 112.411 9 Si 0.20615543113038 0.41614953132268 0.90430926196658 28.085 10 Si 0.20615543113038 0.58385046867732 0.40430926196658 28.085 11 Si 0.29384456886962 0.91614953132268 0.90430926196658 28.085 12 Si 0.29384456886962 0.08385046867732 0.40430926196658 28.085 13 Si 0.70615543113038 0.91614953132268 0.59569073803342 28.085 14 Si 0.70615543113038 0.08385046867732 0.09569073803342 28.085 15 Si 0.79384456886962 0.58385046867732 0.09569073803342 28.085 16 Si 0.79384456886962 0.41614953132268 0.59569073803342 28.085 17 O 0.12580242114961 0.91068981982537 0.90328373389587 15.999 18 O 0.12580242114961 0.08931018017463 0.40328373389587 15.999 19 O 0.13015243571826 0.73299901400702 0.43035591906386 15.999 20 O 0.13015243571826 0.26700098599298 0.93035591906386 15.999 21 O 0.15201093498954 0.50287438441725 0.15308491252139 15.999 22 O 0.15201093498954 0.49712561558275 0.65308491252139 15.999 23 O 0.34798906501046 0.99712561558275 0.65308491252139 15.999 24 O 0.34798906501046 0.00287438441725 0.15308491252139 15.999 25 O 0.36984756428174 0.76700098599298 0.93035591906386 15.999 26 O 0.36984756428174 0.23299901400702 0.43035591906386 15.999 27 O 0.37419757885039 0.41068981982537 0.90328373389587 15.999 28 O 0.37419757885039 0.58931018017463 0.40328373389587 15.999 29 O 0.62580242114961 0.58931018017463 0.09671626610413 15.999 30 O 0.62580242114961 0.41068981982537 0.59671626610413 15.999 31 O 0.63015243571826 0.76700098599298 0.56964408093614 15.999 32 O 0.63015243571826 0.23299901400702 0.06964408093614 15.999 33 O 0.65201093498954 0.99712561558275 0.84691508747861 15.999 34 O 0.65201093498954 0.00287438441725 0.34691508747861 15.999 35 O 0.84798906501046 0.49712561558275 0.84691508747861 15.999 36 O 0.84798906501046 0.50287438441725 0.34691508747861 15.999 37 O 0.86984756428174 0.73299901400702 0.06964408093614 15.999 38 O 0.86984756428174 0.26700098599298 0.56964408093614 15.999 39 O 0.87419757885039 0.91068981982537 0.59671626610413 15.999 40 O 0.87419757885039 0.08931018017463 0.09671626610413 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.680650429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609036019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.918086260000001 Atomic positions (fractional): 1 Cd 0.00000000000000 0.09989603357807 0.37500000000000 112.411 > 1 2 Cd 0.00000000000000 0.09989603357807 0.87500000000000 112.411 > 1 3 Cd 0.00000000000000 0.72400700093628 0.37500000000000 112.411 > 3 4 Cd 0.00000000000000 0.72400700093628 0.87500000000000 112.411 > 3 5 Cd 0.00000000000000 0.27599299906372 0.12500000000000 112.411 > 5 6 Cd 0.00000000000000 0.27599299906372 0.62500000000000 112.411 > 5 7 Cd 0.00000000000000 0.90010396642193 0.12500000000000 112.411 > 7 8 Cd 0.00000000000000 0.90010396642193 0.62500000000000 112.411 > 7 9 Cd 0.50000000000000 0.59989603357807 0.37500000000000 112.411 > 9 10 Cd 0.50000000000000 0.59989603357807 0.87500000000000 112.411 > 9 11 Cd 0.50000000000000 0.22400700093628 0.37500000000000 112.411 > 11 12 Cd 0.50000000000000 0.22400700093628 0.87500000000000 112.411 > 11 13 Cd 0.50000000000000 0.77599299906372 0.12500000000000 112.411 > 13 14 Cd 0.50000000000000 0.77599299906372 0.62500000000000 112.411 > 13 15 Cd 0.50000000000000 0.40010396642192 0.12500000000000 112.411 > 15 16 Cd 0.50000000000000 0.40010396642192 0.62500000000000 112.411 > 15 17 Si 0.20615543113038 0.41614953132268 0.45215463098329 28.085 > 17 18 Si 0.20615543113038 0.41614953132268 0.95215463098329 28.085 > 17 19 Si 0.20615543113038 0.58385046867732 0.20215463098329 28.085 > 19 20 Si 0.20615543113038 0.58385046867732 0.70215463098329 28.085 > 19 21 Si 0.29384456886962 0.91614953132268 0.45215463098329 28.085 > 21 22 Si 0.29384456886962 0.91614953132268 0.95215463098329 28.085 > 21 23 Si 0.29384456886962 0.08385046867732 0.20215463098329 28.085 > 23 24 Si 0.29384456886962 0.08385046867732 0.70215463098329 28.085 > 23 25 Si 0.70615543113038 0.91614953132268 0.29784536901671 28.085 > 25 26 Si 0.70615543113038 0.91614953132268 0.79784536901671 28.085 > 25 27 Si 0.70615543113038 0.08385046867732 0.04784536901671 28.085 > 27 28 Si 0.70615543113038 0.08385046867732 0.54784536901671 28.085 > 27 29 Si 0.79384456886962 0.58385046867732 0.04784536901671 28.085 > 29 30 Si 0.79384456886962 0.58385046867732 0.54784536901671 28.085 > 29 31 Si 0.79384456886962 0.41614953132268 0.29784536901671 28.085 > 31 32 Si 0.79384456886962 0.41614953132268 0.79784536901671 28.085 > 31 33 O 0.12580242114961 0.91068981982537 0.45164186694794 15.999 > 33 34 O 0.12580242114961 0.91068981982537 0.95164186694794 15.999 > 33 35 O 0.12580242114961 0.08931018017463 0.20164186694794 15.999 > 35 36 O 0.12580242114961 0.08931018017463 0.70164186694794 15.999 > 35 37 O 0.13015243571826 0.73299901400702 0.21517795953193 15.999 > 37 38 O 0.13015243571826 0.73299901400702 0.71517795953193 15.999 > 37 39 O 0.13015243571826 0.26700098599298 0.46517795953193 15.999 > 39 40 O 0.13015243571826 0.26700098599298 0.96517795953193 15.999 > 39 41 O 0.15201093498954 0.50287438441725 0.07654245626069 15.999 > 41 42 O 0.15201093498954 0.50287438441725 0.57654245626069 15.999 > 41 43 O 0.15201093498954 0.49712561558275 0.32654245626069 15.999 > 43 44 O 0.15201093498954 0.49712561558275 0.82654245626069 15.999 > 43 45 O 0.34798906501046 0.99712561558275 0.32654245626069 15.999 > 45 46 O 0.34798906501046 0.99712561558275 0.82654245626069 15.999 > 45 47 O 0.34798906501046 0.00287438441725 0.07654245626069 15.999 > 47 48 O 0.34798906501046 0.00287438441725 0.57654245626069 15.999 > 47 49 O 0.36984756428174 0.76700098599298 0.46517795953193 15.999 > 49 50 O 0.36984756428174 0.76700098599298 0.96517795953193 15.999 > 49 51 O 0.36984756428174 0.23299901400702 0.21517795953193 15.999 > 51 52 O 0.36984756428174 0.23299901400702 0.71517795953193 15.999 > 51 53 O 0.37419757885039 0.41068981982537 0.45164186694794 15.999 > 53 54 O 0.37419757885039 0.41068981982537 0.95164186694794 15.999 > 53 55 O 0.37419757885039 0.58931018017463 0.20164186694794 15.999 > 55 56 O 0.37419757885039 0.58931018017463 0.70164186694794 15.999 > 55 57 O 0.62580242114961 0.58931018017463 0.04835813305206 15.999 > 57 58 O 0.62580242114961 0.58931018017463 0.54835813305206 15.999 > 57 59 O 0.62580242114961 0.41068981982537 0.29835813305206 15.999 > 59 60 O 0.62580242114961 0.41068981982537 0.79835813305206 15.999 > 59 61 O 0.63015243571826 0.76700098599298 0.28482204046807 15.999 > 61 62 O 0.63015243571826 0.76700098599298 0.78482204046807 15.999 > 61 63 O 0.63015243571826 0.23299901400702 0.03482204046807 15.999 > 63 64 O 0.63015243571826 0.23299901400702 0.53482204046807 15.999 > 63 65 O 0.65201093498954 0.99712561558275 0.42345754373931 15.999 > 65 66 O 0.65201093498954 0.99712561558275 0.92345754373931 15.999 > 65 67 O 0.65201093498954 0.00287438441725 0.17345754373931 15.999 > 67 68 O 0.65201093498954 0.00287438441725 0.67345754373931 15.999 > 67 69 O 0.84798906501046 0.49712561558275 0.42345754373931 15.999 > 69 70 O 0.84798906501046 0.49712561558275 0.92345754373931 15.999 > 69 71 O 0.84798906501046 0.50287438441725 0.17345754373931 15.999 > 71 72 O 0.84798906501046 0.50287438441725 0.67345754373931 15.999 > 71 73 O 0.86984756428174 0.73299901400702 0.03482204046807 15.999 > 73 74 O 0.86984756428174 0.73299901400702 0.53482204046807 15.999 > 73 75 O 0.86984756428174 0.26700098599298 0.28482204046807 15.999 > 75 76 O 0.86984756428174 0.26700098599298 0.78482204046807 15.999 > 75 77 O 0.87419757885039 0.91068981982537 0.29835813305206 15.999 > 77 78 O 0.87419757885039 0.91068981982537 0.79835813305206 15.999 > 77 79 O 0.87419757885039 0.08931018017463 0.04835813305206 15.999 > 79 80 O 0.87419757885039 0.08931018017463 0.54835813305206 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3844598 0.0000000 0.0000000 0.0000000 3.3786840 0.0000000 0.0000000 0.0000000 3.4214485 -------------------------- Born effective charges -------------------------- 1 Cd 2.1939458 0.0000000 -0.0283823 0.0000000 2.5132967 0.0000000 0.1381408 0.0000000 2.4456544 2 Cd 2.1793691 0.0000000 -0.3049327 0.0000000 2.4167139 0.0000000 -0.1374371 0.0000000 2.1905054 3 Cd 2.1793691 0.0000000 -0.3049327 0.0000000 2.4167139 0.0000000 -0.1374371 0.0000000 2.1905054 4 Cd 2.1939458 0.0000000 -0.0283823 0.0000000 2.5132967 0.0000000 0.1381408 0.0000000 2.4456544 5 Cd 2.1939458 0.0000000 0.0283823 0.0000000 2.5132967 0.0000000 -0.1381408 0.0000000 2.4456544 6 Cd 2.1793691 0.0000000 0.3049327 0.0000000 2.4167139 0.0000000 0.1374371 0.0000000 2.1905054 7 Cd 2.1793691 0.0000000 0.3049327 0.0000000 2.4167139 0.0000000 0.1374371 0.0000000 2.1905054 8 Cd 2.1939458 0.0000000 0.0283823 0.0000000 2.5132967 0.0000000 -0.1381408 0.0000000 2.4456544 9 Si 3.4513381 0.4503585 -0.0811575 0.0293890 3.0244727 -0.3214191 -0.0926975 -0.2590497 3.3554292 10 Si 3.4513381 -0.4503585 -0.0811575 -0.0293890 3.0244727 0.3214191 -0.0926975 0.2590497 3.3554292 11 Si 3.4513381 -0.4503585 0.0811575 -0.0293890 3.0244727 -0.3214191 0.0926975 -0.2590497 3.3554292 12 Si 3.4513381 0.4503585 0.0811575 0.0293890 3.0244727 0.3214191 0.0926975 0.2590497 3.3554292 13 Si 3.4513381 0.4503585 0.0811575 0.0293890 3.0244727 0.3214191 0.0926975 0.2590497 3.3554292 14 Si 3.4513381 -0.4503585 0.0811575 -0.0293890 3.0244727 -0.3214191 0.0926975 -0.2590497 3.3554292 15 Si 3.4513381 0.4503585 -0.0811575 0.0293890 3.0244727 -0.3214191 -0.0926975 -0.2590497 3.3554292 16 Si 3.4513381 -0.4503585 -0.0811575 -0.0293890 3.0244727 0.3214191 -0.0926975 0.2590497 3.3554292 17 O -2.4494177 0.0007959 0.0235143 -0.0910793 -1.6060058 0.0374334 -0.0304419 -0.0165346 -1.5829252 18 O -2.4494177 -0.0007959 0.0235143 0.0910793 -1.6060058 -0.0374334 -0.0304419 0.0165346 -1.5829252 19 O -1.6907228 0.6896055 0.1652959 0.6204457 -2.0661294 -0.0691663 0.1510673 0.0403428 -1.5923097 20 O -1.6907228 -0.6896055 0.1652959 -0.6204457 -2.0661294 0.0691663 0.1510673 -0.0403428 -1.5923097 21 O -1.4978551 -0.1315662 0.0136423 -0.1496747 -1.8173429 -0.8258334 -0.0368350 -0.9020123 -2.4982742 22 O -1.4978551 0.1315662 0.0136423 0.1496747 -1.8173429 0.8258334 -0.0368350 0.9020123 -2.4982742 23 O -1.4978551 -0.1315662 -0.0136423 -0.1496747 -1.8173429 0.8258334 0.0368350 0.9020123 -2.4982742 24 O -1.4978551 0.1315662 -0.0136423 0.1496747 -1.8173429 -0.8258334 0.0368350 -0.9020123 -2.4982742 25 O -1.6907228 0.6896055 -0.1652959 0.6204457 -2.0661294 0.0691663 -0.1510673 -0.0403428 -1.5923097 26 O -1.6907228 -0.6896055 -0.1652959 -0.6204457 -2.0661294 -0.0691663 -0.1510673 0.0403428 -1.5923097 27 O -2.4494177 -0.0007959 -0.0235143 0.0910793 -1.6060058 0.0374334 0.0304419 -0.0165346 -1.5829252 28 O -2.4494177 0.0007959 -0.0235143 -0.0910793 -1.6060058 -0.0374334 0.0304419 0.0165346 -1.5829252 29 O -2.4494177 -0.0007959 -0.0235143 0.0910793 -1.6060058 0.0374334 0.0304419 -0.0165346 -1.5829252 30 O -2.4494177 0.0007959 -0.0235143 -0.0910793 -1.6060058 -0.0374334 0.0304419 0.0165346 -1.5829252 31 O -1.6907228 -0.6896055 -0.1652959 -0.6204457 -2.0661294 -0.0691663 -0.1510673 0.0403428 -1.5923097 32 O -1.6907228 0.6896055 -0.1652959 0.6204457 -2.0661294 0.0691663 -0.1510673 -0.0403428 -1.5923097 33 O -1.4978551 0.1315662 -0.0136423 0.1496747 -1.8173429 -0.8258334 0.0368350 -0.9020123 -2.4982742 34 O -1.4978551 -0.1315662 -0.0136423 -0.1496747 -1.8173429 0.8258334 0.0368350 0.9020123 -2.4982742 35 O -1.4978551 -0.1315662 0.0136423 -0.1496747 -1.8173429 -0.8258334 -0.0368350 -0.9020123 -2.4982742 36 O -1.4978551 0.1315662 0.0136423 0.1496747 -1.8173429 0.8258334 -0.0368350 0.9020123 -2.4982742 37 O -1.6907228 -0.6896055 0.1652959 -0.6204457 -2.0661294 0.0691663 0.1510673 -0.0403428 -1.5923097 38 O -1.6907228 0.6896055 0.1652959 0.6204457 -2.0661294 -0.0691663 0.1510673 0.0403428 -1.5923097 39 O -2.4494177 -0.0007959 0.0235143 0.0910793 -1.6060058 -0.0374334 -0.0304419 0.0165346 -1.5829252 40 O -2.4494177 0.0007959 0.0235143 -0.0910793 -1.6060058 0.0374334 -0.0304419 -0.0165346 -1.5829252 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 2026-01-09 03:08:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:08:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.680650429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609036019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.459043130000000 Atomic positions (fractional): 1 Cd 0.00000000000000 0.09989603357807 0.75000000000000 112.411 2 Cd 0.00000000000000 0.72400700093628 0.75000000000000 112.411 3 Cd 0.00000000000000 0.27599299906372 0.25000000000000 112.411 4 Cd 0.00000000000000 0.90010396642193 0.25000000000000 112.411 5 Cd 0.50000000000000 0.59989603357807 0.75000000000000 112.411 6 Cd 0.50000000000000 0.22400700093628 0.75000000000000 112.411 7 Cd 0.50000000000000 0.77599299906372 0.25000000000000 112.411 8 Cd 0.50000000000000 0.40010396642192 0.25000000000000 112.411 9 Si 0.20615543113038 0.41614953132268 0.90430926196658 28.085 10 Si 0.20615543113038 0.58385046867732 0.40430926196658 28.085 11 Si 0.29384456886962 0.91614953132268 0.90430926196658 28.085 12 Si 0.29384456886962 0.08385046867732 0.40430926196658 28.085 13 Si 0.70615543113038 0.91614953132268 0.59569073803342 28.085 14 Si 0.70615543113038 0.08385046867732 0.09569073803342 28.085 15 Si 0.79384456886962 0.58385046867732 0.09569073803342 28.085 16 Si 0.79384456886962 0.41614953132268 0.59569073803342 28.085 17 O 0.12580242114961 0.91068981982537 0.90328373389587 15.999 18 O 0.12580242114961 0.08931018017463 0.40328373389587 15.999 19 O 0.13015243571826 0.73299901400702 0.43035591906386 15.999 20 O 0.13015243571826 0.26700098599298 0.93035591906386 15.999 21 O 0.15201093498954 0.50287438441725 0.15308491252139 15.999 22 O 0.15201093498954 0.49712561558275 0.65308491252139 15.999 23 O 0.34798906501046 0.99712561558275 0.65308491252139 15.999 24 O 0.34798906501046 0.00287438441725 0.15308491252139 15.999 25 O 0.36984756428174 0.76700098599298 0.93035591906386 15.999 26 O 0.36984756428174 0.23299901400702 0.43035591906386 15.999 27 O 0.37419757885039 0.41068981982537 0.90328373389587 15.999 28 O 0.37419757885039 0.58931018017463 0.40328373389587 15.999 29 O 0.62580242114961 0.58931018017463 0.09671626610413 15.999 30 O 0.62580242114961 0.41068981982537 0.59671626610413 15.999 31 O 0.63015243571826 0.76700098599298 0.56964408093614 15.999 32 O 0.63015243571826 0.23299901400702 0.06964408093614 15.999 33 O 0.65201093498954 0.99712561558275 0.84691508747861 15.999 34 O 0.65201093498954 0.00287438441725 0.34691508747861 15.999 35 O 0.84798906501046 0.49712561558275 0.84691508747861 15.999 36 O 0.84798906501046 0.50287438441725 0.34691508747861 15.999 37 O 0.86984756428174 0.73299901400702 0.06964408093614 15.999 38 O 0.86984756428174 0.26700098599298 0.56964408093614 15.999 39 O 0.87419757885039 0.91068981982537 0.59671626610413 15.999 40 O 0.87419757885039 0.08931018017463 0.09671626610413 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.680650429999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.609036019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.918086260000001 Atomic positions (fractional): 1 Cd 0.00000000000000 0.09989603357807 0.37500000000000 112.411 > 1 2 Cd 0.00000000000000 0.09989603357807 0.87500000000000 112.411 > 1 3 Cd 0.00000000000000 0.72400700093628 0.37500000000000 112.411 > 3 4 Cd 0.00000000000000 0.72400700093628 0.87500000000000 112.411 > 3 5 Cd 0.00000000000000 0.27599299906372 0.12500000000000 112.411 > 5 6 Cd 0.00000000000000 0.27599299906372 0.62500000000000 112.411 > 5 7 Cd 0.00000000000000 0.90010396642193 0.12500000000000 112.411 > 7 8 Cd 0.00000000000000 0.90010396642193 0.62500000000000 112.411 > 7 9 Cd 0.50000000000000 0.59989603357807 0.37500000000000 112.411 > 9 10 Cd 0.50000000000000 0.59989603357807 0.87500000000000 112.411 > 9 11 Cd 0.50000000000000 0.22400700093628 0.37500000000000 112.411 > 11 12 Cd 0.50000000000000 0.22400700093628 0.87500000000000 112.411 > 11 13 Cd 0.50000000000000 0.77599299906372 0.12500000000000 112.411 > 13 14 Cd 0.50000000000000 0.77599299906372 0.62500000000000 112.411 > 13 15 Cd 0.50000000000000 0.40010396642192 0.12500000000000 112.411 > 15 16 Cd 0.50000000000000 0.40010396642192 0.62500000000000 112.411 > 15 17 Si 0.20615543113038 0.41614953132268 0.45215463098329 28.085 > 17 18 Si 0.20615543113038 0.41614953132268 0.95215463098329 28.085 > 17 19 Si 0.20615543113038 0.58385046867732 0.20215463098329 28.085 > 19 20 Si 0.20615543113038 0.58385046867732 0.70215463098329 28.085 > 19 21 Si 0.29384456886962 0.91614953132268 0.45215463098329 28.085 > 21 22 Si 0.29384456886962 0.91614953132268 0.95215463098329 28.085 > 21 23 Si 0.29384456886962 0.08385046867732 0.20215463098329 28.085 > 23 24 Si 0.29384456886962 0.08385046867732 0.70215463098329 28.085 > 23 25 Si 0.70615543113038 0.91614953132268 0.29784536901671 28.085 > 25 26 Si 0.70615543113038 0.91614953132268 0.79784536901671 28.085 > 25 27 Si 0.70615543113038 0.08385046867732 0.04784536901671 28.085 > 27 28 Si 0.70615543113038 0.08385046867732 0.54784536901671 28.085 > 27 29 Si 0.79384456886962 0.58385046867732 0.04784536901671 28.085 > 29 30 Si 0.79384456886962 0.58385046867732 0.54784536901671 28.085 > 29 31 Si 0.79384456886962 0.41614953132268 0.29784536901671 28.085 > 31 32 Si 0.79384456886962 0.41614953132268 0.79784536901671 28.085 > 31 33 O 0.12580242114961 0.91068981982537 0.45164186694794 15.999 > 33 34 O 0.12580242114961 0.91068981982537 0.95164186694794 15.999 > 33 35 O 0.12580242114961 0.08931018017463 0.20164186694794 15.999 > 35 36 O 0.12580242114961 0.08931018017463 0.70164186694794 15.999 > 35 37 O 0.13015243571826 0.73299901400702 0.21517795953193 15.999 > 37 38 O 0.13015243571826 0.73299901400702 0.71517795953193 15.999 > 37 39 O 0.13015243571826 0.26700098599298 0.46517795953193 15.999 > 39 40 O 0.13015243571826 0.26700098599298 0.96517795953193 15.999 > 39 41 O 0.15201093498954 0.50287438441725 0.07654245626069 15.999 > 41 42 O 0.15201093498954 0.50287438441725 0.57654245626069 15.999 > 41 43 O 0.15201093498954 0.49712561558275 0.32654245626069 15.999 > 43 44 O 0.15201093498954 0.49712561558275 0.82654245626069 15.999 > 43 45 O 0.34798906501046 0.99712561558275 0.32654245626069 15.999 > 45 46 O 0.34798906501046 0.99712561558275 0.82654245626069 15.999 > 45 47 O 0.34798906501046 0.00287438441725 0.07654245626069 15.999 > 47 48 O 0.34798906501046 0.00287438441725 0.57654245626069 15.999 > 47 49 O 0.36984756428174 0.76700098599298 0.46517795953193 15.999 > 49 50 O 0.36984756428174 0.76700098599298 0.96517795953193 15.999 > 49 51 O 0.36984756428174 0.23299901400702 0.21517795953193 15.999 > 51 52 O 0.36984756428174 0.23299901400702 0.71517795953193 15.999 > 51 53 O 0.37419757885039 0.41068981982537 0.45164186694794 15.999 > 53 54 O 0.37419757885039 0.41068981982537 0.95164186694794 15.999 > 53 55 O 0.37419757885039 0.58931018017463 0.20164186694794 15.999 > 55 56 O 0.37419757885039 0.58931018017463 0.70164186694794 15.999 > 55 57 O 0.62580242114961 0.58931018017463 0.04835813305206 15.999 > 57 58 O 0.62580242114961 0.58931018017463 0.54835813305206 15.999 > 57 59 O 0.62580242114961 0.41068981982537 0.29835813305206 15.999 > 59 60 O 0.62580242114961 0.41068981982537 0.79835813305206 15.999 > 59 61 O 0.63015243571826 0.76700098599298 0.28482204046807 15.999 > 61 62 O 0.63015243571826 0.76700098599298 0.78482204046807 15.999 > 61 63 O 0.63015243571826 0.23299901400702 0.03482204046807 15.999 > 63 64 O 0.63015243571826 0.23299901400702 0.53482204046807 15.999 > 63 65 O 0.65201093498954 0.99712561558275 0.42345754373931 15.999 > 65 66 O 0.65201093498954 0.99712561558275 0.92345754373931 15.999 > 65 67 O 0.65201093498954 0.00287438441725 0.17345754373931 15.999 > 67 68 O 0.65201093498954 0.00287438441725 0.67345754373931 15.999 > 67 69 O 0.84798906501046 0.49712561558275 0.42345754373931 15.999 > 69 70 O 0.84798906501046 0.49712561558275 0.92345754373931 15.999 > 69 71 O 0.84798906501046 0.50287438441725 0.17345754373931 15.999 > 71 72 O 0.84798906501046 0.50287438441725 0.67345754373931 15.999 > 71 73 O 0.86984756428174 0.73299901400702 0.03482204046807 15.999 > 73 74 O 0.86984756428174 0.73299901400702 0.53482204046807 15.999 > 73 75 O 0.86984756428174 0.26700098599298 0.28482204046807 15.999 > 75 76 O 0.86984756428174 0.26700098599298 0.78482204046807 15.999 > 75 77 O 0.87419757885039 0.91068981982537 0.29835813305206 15.999 > 77 78 O 0.87419757885039 0.91068981982537 0.79835813305206 15.999 > 77 79 O 0.87419757885039 0.08931018017463 0.04835813305206 15.999 > 79 80 O 0.87419757885039 0.08931018017463 0.54835813305206 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3844598 0.0000000 0.0000000 0.0000000 3.3786840 0.0000000 0.0000000 0.0000000 3.4214485 -------------------------- Born effective charges -------------------------- 1 Cd 2.1939458 0.0000000 -0.0283823 0.0000000 2.5132967 0.0000000 0.1381408 0.0000000 2.4456544 2 Cd 2.1793691 0.0000000 -0.3049327 0.0000000 2.4167139 0.0000000 -0.1374371 0.0000000 2.1905054 3 Cd 2.1793691 0.0000000 -0.3049327 0.0000000 2.4167139 0.0000000 -0.1374371 0.0000000 2.1905054 4 Cd 2.1939458 0.0000000 -0.0283823 0.0000000 2.5132967 0.0000000 0.1381408 0.0000000 2.4456544 5 Cd 2.1939458 0.0000000 0.0283823 0.0000000 2.5132967 0.0000000 -0.1381408 0.0000000 2.4456544 6 Cd 2.1793691 0.0000000 0.3049327 0.0000000 2.4167139 0.0000000 0.1374371 0.0000000 2.1905054 7 Cd 2.1793691 0.0000000 0.3049327 0.0000000 2.4167139 0.0000000 0.1374371 0.0000000 2.1905054 8 Cd 2.1939458 0.0000000 0.0283823 0.0000000 2.5132967 0.0000000 -0.1381408 0.0000000 2.4456544 9 Si 3.4513381 0.4503585 -0.0811575 0.0293890 3.0244727 -0.3214191 -0.0926975 -0.2590497 3.3554292 10 Si 3.4513381 -0.4503585 -0.0811575 -0.0293890 3.0244727 0.3214191 -0.0926975 0.2590497 3.3554292 11 Si 3.4513381 -0.4503585 0.0811575 -0.0293890 3.0244727 -0.3214191 0.0926975 -0.2590497 3.3554292 12 Si 3.4513381 0.4503585 0.0811575 0.0293890 3.0244727 0.3214191 0.0926975 0.2590497 3.3554292 13 Si 3.4513381 0.4503585 0.0811575 0.0293890 3.0244727 0.3214191 0.0926975 0.2590497 3.3554292 14 Si 3.4513381 -0.4503585 0.0811575 -0.0293890 3.0244727 -0.3214191 0.0926975 -0.2590497 3.3554292 15 Si 3.4513381 0.4503585 -0.0811575 0.0293890 3.0244727 -0.3214191 -0.0926975 -0.2590497 3.3554292 16 Si 3.4513381 -0.4503585 -0.0811575 -0.0293890 3.0244727 0.3214191 -0.0926975 0.2590497 3.3554292 17 O -2.4494177 0.0007959 0.0235143 -0.0910793 -1.6060058 0.0374334 -0.0304419 -0.0165346 -1.5829252 18 O -2.4494177 -0.0007959 0.0235143 0.0910793 -1.6060058 -0.0374334 -0.0304419 0.0165346 -1.5829252 19 O -1.6907228 0.6896055 0.1652959 0.6204457 -2.0661294 -0.0691663 0.1510673 0.0403428 -1.5923097 20 O -1.6907228 -0.6896055 0.1652959 -0.6204457 -2.0661294 0.0691663 0.1510673 -0.0403428 -1.5923097 21 O -1.4978551 -0.1315662 0.0136423 -0.1496747 -1.8173429 -0.8258334 -0.0368350 -0.9020123 -2.4982742 22 O -1.4978551 0.1315662 0.0136423 0.1496747 -1.8173429 0.8258334 -0.0368350 0.9020123 -2.4982742 23 O -1.4978551 -0.1315662 -0.0136423 -0.1496747 -1.8173429 0.8258334 0.0368350 0.9020123 -2.4982742 24 O -1.4978551 0.1315662 -0.0136423 0.1496747 -1.8173429 -0.8258334 0.0368350 -0.9020123 -2.4982742 25 O -1.6907228 0.6896055 -0.1652959 0.6204457 -2.0661294 0.0691663 -0.1510673 -0.0403428 -1.5923097 26 O -1.6907228 -0.6896055 -0.1652959 -0.6204457 -2.0661294 -0.0691663 -0.1510673 0.0403428 -1.5923097 27 O -2.4494177 -0.0007959 -0.0235143 0.0910793 -1.6060058 0.0374334 0.0304419 -0.0165346 -1.5829252 28 O -2.4494177 0.0007959 -0.0235143 -0.0910793 -1.6060058 -0.0374334 0.0304419 0.0165346 -1.5829252 29 O -2.4494177 -0.0007959 -0.0235143 0.0910793 -1.6060058 0.0374334 0.0304419 -0.0165346 -1.5829252 30 O -2.4494177 0.0007959 -0.0235143 -0.0910793 -1.6060058 -0.0374334 0.0304419 0.0165346 -1.5829252 31 O -1.6907228 -0.6896055 -0.1652959 -0.6204457 -2.0661294 -0.0691663 -0.1510673 0.0403428 -1.5923097 32 O -1.6907228 0.6896055 -0.1652959 0.6204457 -2.0661294 0.0691663 -0.1510673 -0.0403428 -1.5923097 33 O -1.4978551 0.1315662 -0.0136423 0.1496747 -1.8173429 -0.8258334 0.0368350 -0.9020123 -2.4982742 34 O -1.4978551 -0.1315662 -0.0136423 -0.1496747 -1.8173429 0.8258334 0.0368350 0.9020123 -2.4982742 35 O -1.4978551 -0.1315662 0.0136423 -0.1496747 -1.8173429 -0.8258334 -0.0368350 -0.9020123 -2.4982742 36 O -1.4978551 0.1315662 0.0136423 0.1496747 -1.8173429 0.8258334 -0.0368350 0.9020123 -2.4982742 37 O -1.6907228 -0.6896055 0.1652959 -0.6204457 -2.0661294 0.0691663 0.1510673 -0.0403428 -1.5923097 38 O -1.6907228 0.6896055 0.1652959 0.6204457 -2.0661294 -0.0691663 0.1510673 0.0403428 -1.5923097 39 O -2.4494177 -0.0007959 0.0235143 0.0910793 -1.6060058 -0.0374334 -0.0304419 0.0165346 -1.5829252 40 O -2.4494177 0.0007959 0.0235143 -0.0910793 -1.6060058 0.0374334 -0.0304419 -0.0165346 -1.5829252 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 5 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 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 0.988 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.212 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.042 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.676 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.305 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 10.082 ( 0.000 0.000 0.000) 0.000 10.268 ( 0.000 0.000 0.000) 0.000 10.907 ( 0.000 0.000 0.000) 0.000 11.136 ( 0.000 0.000 0.000) 0.000 11.497 ( 0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 0.000) 0.000 11.540 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.603 ( 0.000 0.000 0.000) 0.000 12.734 ( 0.000 0.000 0.000) 0.000 12.739 ( 0.000 0.000 0.000) 0.000 12.820 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.367 ( 0.000 0.000 0.000) 0.000 13.372 ( 0.000 0.000 0.000) 0.000 13.481 ( 0.000 0.000 0.000) 0.000 13.638 ( 0.000 0.000 0.000) 0.000 13.837 ( 0.000 0.000 0.000) 0.000 13.955 ( 0.000 0.000 0.000) 0.000 13.981 ( 0.000 0.000 0.000) 0.000 14.095 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 14.433 ( 0.000 0.000 0.000) 0.000 14.451 ( 0.000 0.000 0.000) 0.000 14.567 ( 0.000 0.000 0.000) 0.000 14.591 ( 0.000 0.000 0.000) 0.000 14.850 ( 0.000 0.000 0.000) 0.000 14.922 ( 0.000 0.000 0.000) 0.000 17.019 ( 0.000 0.000 0.000) 0.000 17.318 ( 0.000 0.000 0.000) 0.000 17.905 ( 0.000 0.000 0.000) 0.000 18.030 ( 0.000 0.000 0.000) 0.000 20.427 ( 0.000 0.000 0.000) 0.000 20.556 ( 0.000 0.000 0.000) 0.000 20.752 ( 0.000 0.000 0.000) 0.000 20.901 ( 0.000 0.000 0.000) 0.000 25.325 ( 0.000 0.000 0.000) 0.000 25.420 ( 0.000 0.000 0.000) 0.000 25.767 ( 0.000 0.000 0.000) 0.000 26.159 ( 0.000 0.000 0.000) 0.000 27.004 ( 0.000 0.000 0.000) 0.000 27.015 ( 0.000 0.000 0.000) 0.000 27.299 ( 0.000 0.000 0.000) 0.000 27.360 ( 0.000 0.000 0.000) 0.000 27.407 ( 0.000 0.000 0.000) 0.000 27.414 ( 0.000 0.000 0.000) 0.000 28.116 ( 0.000 0.000 0.000) 0.000 28.380 ( 0.000 0.000 0.000) 0.000 28.448 ( 0.000 0.000 0.000) 0.000 28.457 ( 0.000 0.000 0.000) 0.000 28.556 ( 0.000 0.000 0.000) 0.000 28.601 ( 0.000 0.000 0.000) 0.000 28.671 ( 0.000 0.000 0.000) 0.000 28.870 ( 0.000 0.000 0.000) 0.000 29.311 ( 0.000 0.000 0.000) 0.000 29.367 ( 0.000 0.000 0.000) 0.000 29.529 ( 0.000 0.000 0.000) 0.000 29.631 ( 0.000 0.000 0.000) 0.000 30.163 ( 0.000 0.000 0.000) 0.000 31.915 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 23.980 0.000 0.000) 23.980 0.570 ( 27.001 0.000 0.000) 27.001 1.013 ( 16.156 0.000 0.000) 16.156 1.115 ( 36.737 0.000 0.000) 36.737 1.451 ( 0.790 0.000 0.000) 0.790 1.657 ( 4.646 0.000 0.000) 4.646 1.912 ( -0.287 0.000 0.000) 0.287 2.175 ( -5.874 0.000 0.000) 5.874 2.220 ( -3.824 0.000 0.000) 3.824 2.259 ( 4.802 0.000 0.000) 4.802 2.270 ( -12.242 0.000 0.000) 12.242 2.351 ( -4.716 0.000 0.000) 4.716 2.383 ( 0.328 0.000 0.000) 0.328 2.500 ( 5.395 0.000 0.000) 5.395 2.609 ( 2.064 0.000 0.000) 2.064 2.763 ( -6.659 0.000 0.000) 6.659 2.770 ( -4.131 0.000 0.000) 4.131 2.824 ( -3.248 0.000 0.000) 3.248 2.870 ( -2.374 0.000 0.000) 2.374 2.972 ( 2.242 0.000 0.000) 2.242 3.194 ( -6.210 0.000 0.000) 6.210 3.225 ( 1.022 0.000 0.000) 1.022 3.396 ( 3.583 0.000 0.000) 3.583 3.600 ( 4.523 0.000 0.000) 4.523 3.670 ( 2.140 0.000 0.000) 2.140 3.864 ( -7.609 0.000 0.000) 7.609 3.887 ( 7.717 0.000 0.000) 7.717 3.973 ( 6.300 0.000 0.000) 6.300 4.239 ( -1.332 0.000 0.000) 1.332 4.428 ( -3.145 0.000 0.000) 3.145 4.611 ( 1.780 0.000 0.000) 1.780 4.915 ( -4.470 0.000 0.000) 4.470 5.461 ( -2.106 0.000 0.000) 2.106 5.663 ( 3.185 0.000 0.000) 3.185 5.832 ( -2.517 0.000 0.000) 2.517 5.984 ( -5.428 0.000 0.000) 5.428 6.186 ( 0.816 0.000 0.000) 0.816 6.270 ( 9.791 0.000 0.000) 9.791 6.639 ( 0.074 0.000 0.000) 0.074 6.868 ( 1.898 0.000 0.000) 1.898 6.907 ( -0.983 0.000 0.000) 0.983 7.019 ( -1.440 0.000 0.000) 1.440 7.076 ( 2.078 0.000 0.000) 2.078 7.094 ( 1.147 0.000 0.000) 1.147 7.285 ( -7.315 0.000 0.000) 7.315 7.511 ( -11.694 0.000 0.000) 11.694 8.046 ( 1.852 0.000 0.000) 1.852 8.079 ( 1.851 0.000 0.000) 1.851 8.156 ( -0.239 0.000 0.000) 0.239 8.264 ( 5.941 0.000 0.000) 5.941 8.526 ( -10.980 0.000 0.000) 10.980 8.547 ( -1.436 0.000 0.000) 1.436 9.151 ( 3.785 0.000 0.000) 3.785 9.298 ( 3.447 0.000 0.000) 3.447 9.355 ( 1.976 0.000 0.000) 1.976 9.384 ( 5.123 0.000 0.000) 5.123 9.564 ( 1.254 0.000 0.000) 1.254 9.740 ( -1.136 0.000 0.000) 1.136 9.744 ( -1.857 0.000 0.000) 1.857 10.077 ( -5.891 0.000 0.000) 5.891 10.272 ( 6.220 0.000 0.000) 6.220 11.001 ( -7.643 0.000 0.000) 7.643 11.176 ( 3.816 0.000 0.000) 3.816 11.467 ( -2.490 0.000 0.000) 2.490 11.505 ( -1.526 0.000 0.000) 1.526 11.565 ( 2.006 0.000 0.000) 2.006 11.565 ( -3.564 0.000 0.000) 3.564 11.573 ( 2.470 0.000 0.000) 2.470 12.726 ( -0.223 0.000 0.000) 0.223 12.754 ( 1.221 0.000 0.000) 1.221 12.835 ( 1.330 0.000 0.000) 1.330 12.974 ( -1.402 0.000 0.000) 1.402 13.327 ( -3.098 0.000 0.000) 3.098 13.430 ( 5.442 0.000 0.000) 5.442 13.466 ( -2.202 0.000 0.000) 2.202 13.681 ( 3.906 0.000 0.000) 3.906 13.833 ( -0.943 0.000 0.000) 0.943 13.934 ( -1.747 0.000 0.000) 1.747 14.000 ( 1.017 0.000 0.000) 1.017 14.055 ( -2.892 0.000 0.000) 2.892 14.093 ( -1.862 0.000 0.000) 1.862 14.102 ( -1.416 0.000 0.000) 1.416 14.301 ( -7.448 0.000 0.000) 7.448 14.351 ( -6.458 0.000 0.000) 6.458 14.679 ( 6.095 0.000 0.000) 6.095 14.692 ( 5.323 0.000 0.000) 5.323 14.887 ( 3.102 0.000 0.000) 3.102 14.951 ( 2.156 0.000 0.000) 2.156 17.267 ( -3.710 0.000 0.000) 3.710 17.424 ( -8.601 0.000 0.000) 8.601 18.013 ( 7.318 0.000 0.000) 7.318 18.085 ( 4.191 0.000 0.000) 4.191 20.439 ( 1.125 0.000 0.000) 1.125 20.543 ( -1.197 0.000 0.000) 1.197 20.766 ( 1.364 0.000 0.000) 1.364 20.887 ( -1.324 0.000 0.000) 1.324 25.341 ( 2.203 0.000 0.000) 2.203 25.495 ( 6.459 0.000 0.000) 6.459 25.710 ( -5.264 0.000 0.000) 5.264 26.070 ( -7.867 0.000 0.000) 7.867 27.089 ( 6.764 0.000 0.000) 6.764 27.235 ( 0.328 0.000 0.000) 0.328 27.301 ( 0.167 0.000 0.000) 0.167 27.347 ( -0.920 0.000 0.000) 0.920 27.462 ( 5.766 0.000 0.000) 5.766 28.079 ( -1.864 0.000 0.000) 1.864 28.166 ( 4.679 0.000 0.000) 4.679 28.430 ( -1.978 0.000 0.000) 1.978 28.438 ( -1.667 0.000 0.000) 1.667 28.510 ( 11.534 0.000 0.000) 11.534 28.553 ( -0.285 0.000 0.000) 0.285 28.559 ( -3.967 0.000 0.000) 3.967 28.612 ( -4.421 0.000 0.000) 4.421 29.316 ( 0.418 0.000 0.000) 0.418 29.363 ( -0.449 0.000 0.000) 0.449 29.380 ( -10.456 0.000 0.000) 10.456 29.737 ( 6.439 0.000 0.000) 6.439 30.120 ( -3.978 0.000 0.000) 3.978 31.487 ( 4.877 0.000 0.000) 4.877 31.874 ( -3.838 0.000 0.000) 3.838 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 14.414 0.000 0.000) 14.414 1.091 ( 22.333 0.000 0.000) 22.333 1.094 ( -0.572 0.000 0.000) 0.572 1.413 ( -7.167 0.000 0.000) 7.167 1.788 ( 7.793 0.000 0.000) 7.793 1.866 ( 17.494 0.000 0.000) 17.494 1.901 ( 0.117 0.000 0.000) 0.117 1.998 ( -10.822 0.000 0.000) 10.822 2.031 ( -3.344 0.000 0.000) 3.344 2.139 ( -4.129 0.000 0.000) 4.129 2.294 ( 1.332 0.000 0.000) 1.332 2.367 ( -2.481 0.000 0.000) 2.481 2.401 ( 8.399 0.000 0.000) 8.399 2.576 ( -7.497 0.000 0.000) 7.497 2.617 ( 3.859 0.000 0.000) 3.859 2.678 ( -3.893 0.000 0.000) 3.893 2.708 ( 3.393 0.000 0.000) 3.393 2.798 ( -4.393 0.000 0.000) 4.393 2.838 ( 9.343 0.000 0.000) 9.343 3.010 ( 2.071 0.000 0.000) 2.071 3.076 ( -4.535 0.000 0.000) 4.535 3.140 ( -11.814 0.000 0.000) 11.814 3.492 ( 5.654 0.000 0.000) 5.654 3.650 ( -10.452 0.000 0.000) 10.452 3.687 ( 3.080 0.000 0.000) 3.080 3.710 ( 0.865 0.000 0.000) 0.865 4.052 ( 7.623 0.000 0.000) 7.623 4.142 ( 9.287 0.000 0.000) 9.287 4.181 ( -4.542 0.000 0.000) 4.542 4.322 ( -7.296 0.000 0.000) 7.296 4.675 ( 4.542 0.000 0.000) 4.542 4.794 ( -6.499 0.000 0.000) 6.499 5.459 ( 3.652 0.000 0.000) 3.652 5.605 ( -8.315 0.000 0.000) 8.315 5.895 ( 6.172 0.000 0.000) 6.172 5.962 ( 1.260 0.000 0.000) 1.260 6.213 ( 3.003 0.000 0.000) 3.003 6.321 ( -4.558 0.000 0.000) 4.558 6.718 ( 7.262 0.000 0.000) 7.262 6.854 ( -4.636 0.000 0.000) 4.636 6.932 ( 3.525 0.000 0.000) 3.525 6.985 ( -1.737 0.000 0.000) 1.737 7.117 ( 1.102 0.000 0.000) 1.102 7.122 ( 1.306 0.000 0.000) 1.306 7.166 ( -2.100 0.000 0.000) 2.100 7.254 ( -10.404 0.000 0.000) 10.404 7.997 ( -1.566 0.000 0.000) 1.566 8.048 ( -4.731 0.000 0.000) 4.731 8.261 ( 6.057 0.000 0.000) 6.057 8.358 ( -4.513 0.000 0.000) 4.513 8.394 ( 5.954 0.000 0.000) 5.954 8.495 ( -3.695 0.000 0.000) 3.695 9.264 ( 6.441 0.000 0.000) 6.441 9.367 ( -2.205 0.000 0.000) 2.205 9.374 ( 3.390 0.000 0.000) 3.390 9.424 ( -1.030 0.000 0.000) 1.030 9.628 ( 4.136 0.000 0.000) 4.136 9.701 ( -2.690 0.000 0.000) 2.690 9.737 ( 2.924 0.000 0.000) 2.924 9.882 ( -9.980 0.000 0.000) 9.980 10.504 ( 13.734 0.000 0.000) 13.734 10.785 ( -12.667 0.000 0.000) 12.667 11.284 ( 6.234 0.000 0.000) 6.234 11.403 ( -4.247 0.000 0.000) 4.247 11.470 ( -1.336 0.000 0.000) 1.336 11.481 ( -3.114 0.000 0.000) 3.114 11.605 ( 1.447 0.000 0.000) 1.447 11.612 ( 0.901 0.000 0.000) 0.901 12.740 ( 1.493 0.000 0.000) 1.493 12.767 ( -0.479 0.000 0.000) 0.479 12.876 ( 2.656 0.000 0.000) 2.656 12.934 ( -2.540 0.000 0.000) 2.540 13.293 ( 1.074 0.000 0.000) 1.074 13.376 ( -5.692 0.000 0.000) 5.692 13.582 ( 8.738 0.000 0.000) 8.738 13.757 ( -6.931 0.000 0.000) 6.931 13.782 ( 5.379 0.000 0.000) 5.379 13.882 ( -3.764 0.000 0.000) 3.764 14.025 ( 0.635 0.000 0.000) 0.635 14.027 ( 1.502 0.000 0.000) 1.502 14.056 ( -1.357 0.000 0.000) 1.357 14.063 ( -2.285 0.000 0.000) 2.285 14.203 ( -1.508 0.000 0.000) 1.508 14.236 ( -4.143 0.000 0.000) 4.143 14.769 ( 2.362 0.000 0.000) 2.362 14.772 ( 2.057 0.000 0.000) 2.057 14.953 ( 2.658 0.000 0.000) 2.658 14.980 ( 0.177 0.000 0.000) 0.177 17.216 ( -0.323 0.000 0.000) 0.323 17.270 ( -5.437 0.000 0.000) 5.437 18.134 ( 3.670 0.000 0.000) 3.670 18.154 ( 1.610 0.000 0.000) 1.610 20.471 ( 1.827 0.000 0.000) 1.827 20.510 ( -1.860 0.000 0.000) 1.860 20.804 ( 2.150 0.000 0.000) 2.150 20.850 ( -2.137 0.000 0.000) 2.137 25.427 ( 5.925 0.000 0.000) 5.925 25.571 ( -7.497 0.000 0.000) 7.497 25.663 ( 9.473 0.000 0.000) 9.473 25.873 ( -10.414 0.000 0.000) 10.414 27.203 ( 3.321 0.000 0.000) 3.321 27.237 ( -0.446 0.000 0.000) 0.446 27.308 ( 0.641 0.000 0.000) 0.641 27.326 ( -1.012 0.000 0.000) 1.012 27.673 ( 14.086 0.000 0.000) 14.086 27.958 ( -10.975 0.000 0.000) 10.975 28.295 ( 7.275 0.000 0.000) 7.275 28.382 ( -1.172 0.000 0.000) 1.172 28.397 ( -1.948 0.000 0.000) 1.948 28.445 ( -6.767 0.000 0.000) 6.767 28.547 ( -0.220 0.000 0.000) 0.220 28.552 ( -1.104 0.000 0.000) 1.104 28.803 ( 15.665 0.000 0.000) 15.665 29.119 ( -14.315 0.000 0.000) 14.315 29.333 ( 0.829 0.000 0.000) 0.829 29.350 ( -0.773 0.000 0.000) 0.773 29.873 ( 6.729 0.000 0.000) 6.729 30.010 ( -6.282 0.000 0.000) 6.282 31.617 ( 7.190 0.000 0.000) 7.190 31.764 ( -6.579 0.000 0.000) 6.579 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 27.549 0.000) 27.549 0.635 ( 0.000 26.403 0.000) 26.403 0.883 ( 0.000 40.814 0.000) 40.814 1.023 ( 0.000 2.377 0.000) 2.377 1.387 ( 0.000 1.112 0.000) 1.112 1.724 ( 0.000 4.580 0.000) 4.580 1.831 ( 0.000 -3.694 0.000) 3.694 2.235 ( 0.000 -2.514 0.000) 2.514 2.264 ( 0.000 4.557 0.000) 4.557 2.301 ( 0.000 4.552 0.000) 4.552 2.319 ( 0.000 -4.435 0.000) 4.435 2.409 ( 0.000 -0.689 0.000) 0.689 2.471 ( 0.000 2.795 0.000) 2.795 2.489 ( 0.000 5.734 0.000) 5.734 2.525 ( 0.000 -7.112 0.000) 7.112 2.730 ( 0.000 -3.109 0.000) 3.109 2.738 ( 0.000 -7.838 0.000) 7.838 2.744 ( 0.000 -2.756 0.000) 2.756 2.916 ( 0.000 -1.255 0.000) 1.255 2.952 ( 0.000 0.809 0.000) 0.809 3.138 ( 0.000 -5.998 0.000) 5.998 3.296 ( 0.000 -6.170 0.000) 6.170 3.488 ( 0.000 -11.754 0.000) 11.754 3.653 ( 0.000 0.789 0.000) 0.789 3.660 ( 0.000 7.683 0.000) 7.683 3.919 ( 0.000 -1.796 0.000) 1.796 4.108 ( 0.000 -11.592 0.000) 11.592 4.113 ( 0.000 6.232 0.000) 6.232 4.216 ( 0.000 -1.508 0.000) 1.508 4.448 ( 0.000 -2.348 0.000) 2.348 4.633 ( 0.000 4.201 0.000) 4.201 4.898 ( 0.000 -3.960 0.000) 3.960 5.581 ( 0.000 6.816 0.000) 6.816 5.655 ( 0.000 3.982 0.000) 3.982 5.656 ( 0.000 1.666 0.000) 1.666 5.958 ( 0.000 -2.620 0.000) 2.620 6.020 ( 0.000 -1.953 0.000) 1.953 6.116 ( 0.000 -4.929 0.000) 4.929 6.117 ( 0.000 4.843 0.000) 4.843 6.544 ( 0.000 -6.821 0.000) 6.821 6.879 ( 0.000 2.418 0.000) 2.418 7.039 ( 0.000 0.425 0.000) 0.425 7.132 ( 0.000 1.278 0.000) 1.278 7.457 ( 0.000 8.947 0.000) 8.947 7.477 ( 0.000 -8.432 0.000) 8.432 7.760 ( 0.000 4.464 0.000) 4.464 7.982 ( 0.000 -0.339 0.000) 0.339 8.029 ( 0.000 -1.211 0.000) 1.211 8.229 ( 0.000 2.824 0.000) 2.824 8.266 ( 0.000 4.483 0.000) 4.483 8.348 ( 0.000 -0.913 0.000) 0.913 8.660 ( 0.000 -2.228 0.000) 2.228 9.016 ( 0.000 -6.327 0.000) 6.327 9.169 ( 0.000 -6.446 0.000) 6.446 9.334 ( 0.000 1.698 0.000) 1.698 9.334 ( 0.000 1.133 0.000) 1.133 9.564 ( 0.000 0.472 0.000) 0.472 9.783 ( 0.000 0.105 0.000) 0.105 9.866 ( 0.000 -2.380 0.000) 2.380 10.101 ( 0.000 0.038 0.000) 0.038 10.285 ( 0.000 4.428 0.000) 4.428 10.940 ( 0.000 3.276 0.000) 3.276 11.228 ( 0.000 8.026 0.000) 8.026 11.279 ( 0.000 -15.860 0.000) 15.860 11.391 ( 0.000 -7.981 0.000) 7.981 11.618 ( 0.000 1.267 0.000) 1.267 11.618 ( 0.000 2.978 0.000) 2.978 11.648 ( 0.000 0.886 0.000) 0.886 12.763 ( 0.000 2.203 0.000) 2.203 12.773 ( 0.000 3.155 0.000) 3.155 12.863 ( 0.000 3.904 0.000) 3.904 13.061 ( 0.000 3.383 0.000) 3.383 13.351 ( 0.000 -0.967 0.000) 0.967 13.478 ( 0.000 -0.528 0.000) 0.528 13.604 ( 0.000 -3.084 0.000) 3.084 13.824 ( 0.000 -9.388 0.000) 9.388 13.915 ( 0.000 7.137 0.000) 7.137 14.003 ( 0.000 1.866 0.000) 1.866 14.131 ( 0.000 3.534 0.000) 3.534 14.155 ( 0.000 4.200 0.000) 4.200 14.198 ( 0.000 4.898 0.000) 4.898 14.447 ( 0.000 -0.316 0.000) 0.316 14.449 ( 0.000 1.577 0.000) 1.577 14.543 ( 0.000 -2.250 0.000) 2.250 14.572 ( 0.000 -1.845 0.000) 1.845 14.784 ( 0.000 -6.346 0.000) 6.346 14.812 ( 0.000 2.194 0.000) 2.194 14.919 ( 0.000 -0.316 0.000) 0.316 17.032 ( 0.000 1.431 0.000) 1.431 17.275 ( 0.000 -3.862 0.000) 3.862 17.912 ( 0.000 0.729 0.000) 0.729 18.014 ( 0.000 -1.489 0.000) 1.489 20.440 ( 0.000 1.165 0.000) 1.165 20.544 ( 0.000 -1.107 0.000) 1.107 20.767 ( 0.000 1.426 0.000) 1.426 20.896 ( 0.000 -1.412 0.000) 1.412 25.449 ( 0.000 2.727 0.000) 2.727 25.728 ( 0.000 -3.525 0.000) 3.525 25.981 ( 0.000 1.098 0.000) 1.098 26.133 ( 0.000 -2.301 0.000) 2.301 27.005 ( 0.000 0.080 0.000) 0.080 27.013 ( 0.000 -0.126 0.000) 0.126 27.309 ( 0.000 0.912 0.000) 0.912 27.359 ( 0.000 -0.097 0.000) 0.097 27.406 ( 0.000 -0.098 0.000) 0.098 27.412 ( 0.000 -0.138 0.000) 0.138 28.174 ( 0.000 5.186 0.000) 5.186 28.375 ( 0.000 -0.149 0.000) 0.149 28.434 ( 0.000 -1.157 0.000) 1.157 28.489 ( 0.000 2.650 0.000) 2.650 28.562 ( 0.000 -3.662 0.000) 3.662 28.587 ( 0.000 2.842 0.000) 2.842 28.656 ( 0.000 -1.456 0.000) 1.456 28.840 ( 0.000 -2.770 0.000) 2.770 29.393 ( 0.000 2.300 0.000) 2.300 29.512 ( 0.000 8.996 0.000) 8.996 29.525 ( 0.000 -0.547 0.000) 0.547 30.127 ( 0.000 -3.716 0.000) 3.716 31.645 ( 0.000 -0.803 0.000) 0.803 31.842 ( 0.000 -6.207 0.000) 6.207 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 16.602 15.643 0.000) 22.810 0.826 ( 14.979 20.476 0.000) 25.370 1.090 ( 5.848 4.685 0.000) 7.493 1.378 ( 29.347 18.613 0.000) 34.752 1.418 ( 2.588 0.857 0.000) 2.726 1.764 ( 3.655 4.916 0.000) 6.126 1.873 ( 3.857 -0.888 0.000) 3.958 2.169 ( -7.538 -1.779 0.000) 7.745 2.231 ( -4.553 2.280 0.000) 5.092 2.270 ( -9.332 -3.741 0.000) 10.054 2.294 ( 2.341 3.354 0.000) 4.090 2.352 ( -2.358 -4.320 0.000) 4.922 2.397 ( -1.446 3.659 0.000) 3.934 2.501 ( 1.312 2.746 0.000) 3.044 2.535 ( -1.469 -5.637 0.000) 5.825 2.689 ( -0.996 -2.929 0.000) 3.093 2.698 ( -3.751 -5.428 0.000) 6.598 2.752 ( 0.438 -4.002 0.000) 4.025 2.875 ( -5.419 -2.839 0.000) 6.118 2.959 ( 3.662 -1.440 0.000) 3.935 3.243 ( 6.000 1.109 0.000) 6.102 3.266 ( -3.099 -0.892 0.000) 3.224 3.572 ( 6.386 -4.726 0.000) 7.945 3.715 ( 4.137 6.976 0.000) 8.110 3.724 ( 1.843 1.627 0.000) 2.458 3.784 ( -9.507 14.846 0.000) 17.630 3.831 ( -8.506 -2.036 0.000) 8.746 4.127 ( 1.193 -8.979 0.000) 9.058 4.163 ( 0.421 6.183 0.000) 6.197 4.392 ( -5.026 -4.010 0.000) 6.430 4.664 ( 2.879 5.084 0.000) 5.843 4.889 ( -0.849 -1.859 0.000) 2.044 5.526 ( -4.973 4.915 0.000) 6.992 5.589 ( 3.625 -4.904 0.000) 6.099 5.834 ( -0.886 0.362 0.000) 0.957 6.036 ( -4.832 4.474 0.000) 6.585 6.131 ( 1.893 -4.648 0.000) 5.018 6.248 ( 10.148 -2.288 0.000) 10.403 6.339 ( 25.776 -18.821 0.000) 31.916 6.515 ( -1.761 -8.597 0.000) 8.776 6.890 ( 1.898 1.495 0.000) 2.416 7.050 ( 0.843 -0.100 0.000) 0.849 7.136 ( 0.035 0.392 0.000) 0.393 7.264 ( -14.242 -0.195 0.000) 14.243 7.349 ( -8.935 7.956 0.000) 11.964 7.573 ( -12.908 4.531 0.000) 13.680 8.063 ( 2.419 0.196 0.000) 2.427 8.077 ( 3.759 -0.416 0.000) 3.782 8.202 ( -1.757 4.277 0.000) 4.623 8.262 ( 1.850 -0.186 0.000) 1.859 8.400 ( 2.085 -6.635 0.000) 6.955 8.524 ( -9.374 -0.718 0.000) 9.401 9.091 ( 5.862 -3.787 0.000) 6.979 9.231 ( 4.672 -4.197 0.000) 6.280 9.364 ( 2.383 0.743 0.000) 2.496 9.389 ( 3.616 -0.022 0.000) 3.616 9.587 ( 2.174 1.584 0.000) 2.689 9.740 ( -4.379 1.539 0.000) 4.642 9.779 ( -3.186 -1.749 0.000) 3.635 10.038 ( -7.588 -3.792 0.000) 8.483 10.327 ( 6.409 6.321 0.000) 9.002 10.945 ( -3.058 -0.117 0.000) 3.060 11.240 ( 1.300 4.154 0.000) 4.353 11.270 ( -0.700 -14.745 0.000) 14.762 11.406 ( 0.719 -5.246 0.000) 5.295 11.584 ( -3.192 1.460 0.000) 3.510 11.631 ( 1.176 2.643 0.000) 2.893 11.649 ( 0.369 2.124 0.000) 2.156 12.782 ( 1.093 4.716 0.000) 4.841 12.805 ( 3.178 2.784 0.000) 4.225 12.876 ( 1.498 3.733 0.000) 4.022 13.042 ( -1.849 5.215 0.000) 5.533 13.382 ( 3.551 -3.706 0.000) 5.133 13.482 ( -0.358 0.595 0.000) 0.695 13.632 ( 0.413 -2.013 0.000) 2.055 13.781 ( -4.299 -7.913 0.000) 9.005 13.908 ( -25.695 22.680 0.000) 34.272 13.911 ( -1.112 4.482 0.000) 4.618 14.028 ( -1.935 3.428 0.000) 3.936 14.079 ( -2.701 1.794 0.000) 3.242 14.161 ( -2.806 4.845 0.000) 5.599 14.180 ( -1.769 5.202 0.000) 5.494 14.305 ( -7.747 0.356 0.000) 7.756 14.349 ( -6.317 -0.217 0.000) 6.321 14.667 ( 6.248 -0.982 0.000) 6.324 14.684 ( 5.091 -0.719 0.000) 5.141 14.966 ( 3.519 1.435 0.000) 3.800 14.969 ( 3.096 6.037 0.000) 6.785 17.170 ( 1.531 -13.915 0.000) 13.999 17.210 ( -4.875 -5.050 0.000) 7.019 18.013 ( 7.158 0.192 0.000) 7.160 18.073 ( 4.507 -1.060 0.000) 4.630 20.451 ( 1.021 1.061 0.000) 1.473 20.536 ( -0.802 -0.710 0.000) 1.071 20.777 ( 0.938 0.995 0.000) 1.367 20.879 ( -1.406 -0.987 0.000) 1.718 25.478 ( 0.960 3.851 0.000) 3.969 25.609 ( -7.081 12.063 0.000) 13.988 25.684 ( -4.033 -2.320 0.000) 4.653 26.038 ( -8.041 -2.964 0.000) 8.569 27.098 ( 6.950 0.814 0.000) 6.997 27.213 ( 2.572 -2.071 0.000) 3.302 27.304 ( 0.061 0.484 0.000) 0.487 27.350 ( -0.788 0.123 0.000) 0.797 27.466 ( 6.507 0.677 0.000) 6.543 27.829 ( 16.281 -16.023 0.000) 22.843 28.191 ( 2.223 2.408 0.000) 3.277 28.410 ( -2.424 -1.632 0.000) 2.922 28.411 ( -0.503 -1.358 0.000) 1.448 28.493 ( -6.250 -4.887 0.000) 7.934 28.541 ( 4.180 1.881 0.000) 4.584 28.606 ( -1.708 0.409 0.000) 1.756 28.625 ( 6.996 6.273 0.000) 9.396 29.154 ( 15.528 -11.114 0.000) 19.096 29.389 ( -0.381 2.345 0.000) 2.376 29.417 ( -6.084 4.381 0.000) 7.497 29.637 ( 8.093 0.173 0.000) 8.094 30.085 ( -3.952 -3.619 0.000) 5.358 31.530 ( -4.660 1.509 0.000) 4.898 31.794 ( -4.490 -6.867 0.000) 8.205 ======================= Grid point 7 (6/45) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 17.070 4.551 0.000) 17.666 1.105 ( 9.120 13.556 0.000) 16.338 1.217 ( 7.863 7.274 0.000) 10.712 1.444 ( -3.404 2.497 0.000) 4.222 1.732 ( 5.031 -4.544 0.000) 6.779 1.845 ( -2.196 4.387 0.000) 4.906 1.883 ( -6.990 -7.069 0.000) 9.942 1.949 ( -1.229 2.699 0.000) 2.965 2.150 ( -1.282 1.125 0.000) 1.706 2.159 ( -2.025 -1.604 0.000) 2.583 2.358 ( 1.446 -3.837 0.000) 4.100 2.363 ( 3.434 -1.899 0.000) 3.924 2.395 ( 0.970 8.494 0.000) 8.550 2.468 ( -4.314 -4.930 0.000) 6.551 2.546 ( 2.030 -3.134 0.000) 3.734 2.607 ( -4.240 -3.326 0.000) 5.389 2.721 ( 2.902 -0.262 0.000) 2.913 2.786 ( -3.335 -2.210 0.000) 4.001 2.858 ( 15.427 1.936 0.000) 15.548 3.046 ( 4.238 1.465 0.000) 4.484 3.173 ( -5.214 3.999 0.000) 6.571 3.241 ( -10.073 7.528 0.000) 12.575 3.585 ( -1.868 9.182 0.000) 9.370 3.619 ( -7.041 -2.762 0.000) 7.564 3.727 ( 5.263 1.136 0.000) 5.384 3.782 ( 0.584 8.040 0.000) 8.061 3.954 ( 10.396 -3.013 0.000) 10.823 4.111 ( -3.929 -4.833 0.000) 6.228 4.186 ( 2.170 -0.390 0.000) 2.205 4.269 ( -5.801 -5.258 0.000) 7.829 4.750 ( 5.151 6.134 0.000) 8.010 4.849 ( -3.550 3.557 0.000) 5.026 5.468 ( 1.691 1.327 0.000) 2.149 5.580 ( -5.970 -2.078 0.000) 6.322 5.917 ( 6.599 2.137 0.000) 6.936 5.992 ( 0.555 2.778 0.000) 2.832 6.166 ( 2.546 -3.460 0.000) 4.296 6.280 ( -5.930 -3.611 0.000) 6.943 6.572 ( 6.118 -11.134 0.000) 12.704 6.628 ( 3.442 -16.341 0.000) 16.700 6.980 ( 6.196 2.375 0.000) 6.636 7.051 ( -2.351 -5.138 0.000) 5.651 7.070 ( -2.186 6.109 0.000) 6.488 7.095 ( -4.932 -3.787 0.000) 6.218 7.202 ( -1.728 5.544 0.000) 5.807 7.302 ( -11.115 1.815 0.000) 11.263 8.047 ( -0.065 3.899 0.000) 3.900 8.101 ( -3.145 4.385 0.000) 5.397 8.267 ( 4.253 0.548 0.000) 4.288 8.282 ( 1.639 -5.665 0.000) 5.897 8.401 ( -1.401 -6.586 0.000) 6.734 8.402 ( -2.189 -0.263 0.000) 2.205 9.228 ( 6.639 -1.680 0.000) 6.848 9.305 ( 0.764 -2.242 0.000) 2.368 9.403 ( 1.176 0.856 0.000) 1.455 9.425 ( -0.253 -0.033 0.000) 0.255 9.649 ( 3.326 1.315 0.000) 3.576 9.691 ( 0.008 -1.357 0.000) 1.357 9.733 ( -0.713 -0.773 0.000) 1.051 9.841 ( -9.363 -3.731 0.000) 10.079 10.535 ( 12.356 3.603 0.000) 12.871 10.788 ( -11.030 1.170 0.000) 11.092 11.264 ( 0.309 -11.649 0.000) 11.653 11.268 ( 0.622 -5.023 0.000) 5.061 11.424 ( 1.980 0.667 0.000) 2.090 11.498 ( -4.568 2.511 0.000) 5.213 11.656 ( 0.855 2.116 0.000) 2.282 11.660 ( 0.376 2.254 0.000) 2.285 12.821 ( 2.415 6.786 0.000) 7.203 12.852 ( 0.388 5.924 0.000) 5.936 12.929 ( 3.367 4.433 0.000) 5.566 12.993 ( -2.615 5.288 0.000) 5.900 13.439 ( -3.038 4.245 0.000) 5.221 13.454 ( -5.800 8.281 0.000) 10.110 13.507 ( 5.814 -4.774 0.000) 7.523 13.658 ( -7.069 -7.932 0.000) 10.625 13.782 ( 3.633 2.025 0.000) 4.159 13.860 ( -3.414 0.148 0.000) 3.418 14.048 ( 1.556 1.967 0.000) 2.508 14.064 ( 0.142 2.900 0.000) 2.903 14.126 ( -1.047 4.418 0.000) 4.541 14.135 ( -1.897 4.987 0.000) 5.335 14.202 ( -1.551 0.044 0.000) 1.551 14.237 ( -4.149 0.118 0.000) 4.150 14.758 ( 2.372 -0.932 0.000) 2.549 14.762 ( 1.984 -0.892 0.000) 2.175 15.020 ( 1.607 5.773 0.000) 5.992 15.023 ( 1.429 3.929 0.000) 4.181 17.130 ( -2.032 -7.410 0.000) 7.683 17.136 ( -2.233 -10.518 0.000) 10.753 18.131 ( 3.509 -0.205 0.000) 3.515 18.147 ( 1.815 -0.556 0.000) 1.898 20.479 ( 1.589 0.719 0.000) 1.744 20.512 ( -1.468 0.084 0.000) 1.470 20.805 ( 1.719 0.118 0.000) 1.723 20.844 ( -1.906 -0.595 0.000) 1.997 25.488 ( 2.588 4.780 0.000) 5.436 25.580 ( -5.470 0.673 0.000) 5.511 25.672 ( 7.479 0.946 0.000) 7.538 25.850 ( -9.360 -2.115 0.000) 9.596 27.207 ( 2.996 0.354 0.000) 3.016 27.234 ( -0.048 -0.247 0.000) 0.251 27.311 ( 0.685 0.348 0.000) 0.769 27.330 ( -1.046 0.300 0.000) 1.088 27.687 ( 13.555 1.365 0.000) 13.624 27.919 ( -5.660 -3.618 0.000) 6.717 28.265 ( 4.494 -1.932 0.000) 4.891 28.341 ( -2.640 -3.325 0.000) 4.246 28.368 ( -2.521 -2.237 0.000) 3.370 28.373 ( -4.384 -4.354 0.000) 6.179 28.570 ( 0.477 1.814 0.000) 1.875 28.582 ( -0.772 1.917 0.000) 2.066 28.899 ( 15.680 7.832 0.000) 17.527 29.193 ( -11.173 5.271 0.000) 12.354 29.350 ( 1.744 0.964 0.000) 1.992 29.377 ( -0.842 2.243 0.000) 2.396 29.821 ( 8.379 -3.693 0.000) 9.157 29.974 ( -6.520 -3.487 0.000) 7.394 31.541 ( 4.713 -5.408 0.000) 7.173 31.671 ( -6.860 -7.664 0.000) 10.285 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 5.651 0.000) 5.651 1.007 ( 0.000 1.730 0.000) 1.730 1.171 ( 0.000 22.574 0.000) 22.574 1.601 ( 0.000 -5.835 0.000) 5.835 1.644 ( 0.000 9.513 0.000) 9.513 1.652 ( 0.000 31.613 0.000) 31.613 1.832 ( 0.000 1.771 0.000) 1.771 2.121 ( 0.000 -11.978 0.000) 11.978 2.213 ( 0.000 -6.224 0.000) 6.224 2.260 ( 0.000 -9.091 0.000) 9.091 2.355 ( 0.000 2.352 0.000) 2.352 2.378 ( 0.000 -2.242 0.000) 2.242 2.391 ( 0.000 -0.607 0.000) 0.607 2.420 ( 0.000 -4.422 0.000) 4.422 2.645 ( 0.000 8.573 0.000) 8.573 2.662 ( 0.000 -1.003 0.000) 1.003 2.671 ( 0.000 -2.069 0.000) 2.069 2.814 ( 0.000 -3.797 0.000) 3.797 2.848 ( 0.000 7.074 0.000) 7.074 2.899 ( 0.000 0.014 0.000) 0.014 2.994 ( 0.000 -6.963 0.000) 6.963 3.097 ( 0.000 -12.223 0.000) 12.223 3.474 ( 0.000 7.432 0.000) 7.432 3.659 ( 0.000 -7.984 0.000) 7.984 3.699 ( 0.000 4.298 0.000) 4.298 3.855 ( 0.000 -10.779 0.000) 10.779 3.975 ( 0.000 7.416 0.000) 7.416 4.115 ( 0.000 -4.620 0.000) 4.620 4.239 ( 0.000 3.985 0.000) 3.985 4.354 ( 0.000 -6.007 0.000) 6.007 4.749 ( 0.000 5.537 0.000) 5.537 4.834 ( 0.000 -2.825 0.000) 2.825 5.694 ( 0.000 3.078 0.000) 3.078 5.699 ( 0.000 1.861 0.000) 1.861 5.759 ( 0.000 5.545 0.000) 5.545 5.873 ( 0.000 -5.142 0.000) 5.142 5.980 ( 0.000 -1.038 0.000) 1.038 6.012 ( 0.000 -4.050 0.000) 4.050 6.248 ( 0.000 7.326 0.000) 7.326 6.403 ( 0.000 -7.147 0.000) 7.147 6.950 ( 0.000 4.025 0.000) 4.025 7.022 ( 0.000 -2.323 0.000) 2.323 7.164 ( 0.000 3.758 0.000) 3.758 7.297 ( 0.000 -8.265 0.000) 8.265 7.674 ( 0.000 9.467 0.000) 9.467 7.796 ( 0.000 -1.761 0.000) 1.761 7.984 ( 0.000 0.610 0.000) 0.610 8.004 ( 0.000 -1.171 0.000) 1.171 8.283 ( 0.000 2.067 0.000) 2.067 8.320 ( 0.000 -1.634 0.000) 1.634 8.397 ( 0.000 7.805 0.000) 7.805 8.562 ( 0.000 -7.052 0.000) 7.052 8.943 ( 0.000 0.412 0.000) 0.412 9.025 ( 0.000 -6.466 0.000) 6.466 9.348 ( 0.000 0.370 0.000) 0.370 9.351 ( 0.000 0.160 0.000) 0.160 9.593 ( 0.000 3.014 0.000) 3.014 9.695 ( 0.000 -6.141 0.000) 6.141 9.913 ( 0.000 5.141 0.000) 5.141 10.031 ( 0.000 -5.539 0.000) 5.539 10.523 ( 0.000 16.681 0.000) 16.681 10.908 ( 0.000 -19.108 0.000) 19.108 11.045 ( 0.000 6.760 0.000) 6.760 11.211 ( 0.000 -8.803 0.000) 8.803 11.422 ( 0.000 9.548 0.000) 9.548 11.591 ( 0.000 -5.971 0.000) 5.971 11.646 ( 0.000 1.125 0.000) 1.125 11.654 ( 0.000 0.522 0.000) 0.522 12.815 ( 0.000 2.177 0.000) 2.177 12.828 ( 0.000 1.299 0.000) 1.299 12.968 ( 0.000 5.672 0.000) 5.672 13.072 ( 0.000 -3.254 0.000) 3.254 13.411 ( 0.000 7.462 0.000) 7.462 13.474 ( 0.000 0.936 0.000) 0.936 13.527 ( 0.000 -3.721 0.000) 3.721 13.611 ( 0.000 -10.615 0.000) 10.615 14.040 ( 0.000 2.602 0.000) 2.602 14.042 ( 0.000 1.444 0.000) 1.444 14.248 ( 0.000 3.696 0.000) 3.696 14.271 ( 0.000 1.657 0.000) 1.657 14.284 ( 0.000 11.584 0.000) 11.584 14.445 ( 0.000 0.482 0.000) 0.482 14.483 ( 0.000 -2.991 0.000) 2.991 14.498 ( 0.000 3.148 0.000) 3.148 14.503 ( 0.000 -6.092 0.000) 6.092 14.607 ( 0.000 -8.758 0.000) 8.758 14.864 ( 0.000 2.437 0.000) 2.437 14.904 ( 0.000 -1.312 0.000) 1.312 17.084 ( 0.000 3.561 0.000) 3.561 17.176 ( 0.000 -5.040 0.000) 5.040 17.936 ( 0.000 1.573 0.000) 1.573 17.975 ( 0.000 -2.046 0.000) 2.046 20.473 ( 0.000 1.867 0.000) 1.867 20.512 ( 0.000 -1.833 0.000) 1.833 20.807 ( 0.000 2.297 0.000) 2.297 20.857 ( 0.000 -2.289 0.000) 2.289 25.528 ( 0.000 4.696 0.000) 4.696 25.634 ( 0.000 -5.168 0.000) 5.168 26.016 ( 0.000 2.329 0.000) 2.329 26.074 ( 0.000 -3.053 0.000) 3.053 27.007 ( 0.000 0.127 0.000) 0.127 27.010 ( 0.000 -0.162 0.000) 0.162 27.332 ( 0.000 1.140 0.000) 1.140 27.352 ( 0.000 -0.665 0.000) 0.665 27.405 ( 0.000 0.087 0.000) 0.087 27.409 ( 0.000 -0.193 0.000) 0.193 28.309 ( 0.000 7.225 0.000) 7.225 28.382 ( 0.000 0.819 0.000) 0.819 28.406 ( 0.000 -1.408 0.000) 1.408 28.455 ( 0.000 -6.365 0.000) 6.365 28.552 ( 0.000 3.163 0.000) 3.163 28.613 ( 0.000 -2.581 0.000) 2.581 28.666 ( 0.000 4.495 0.000) 4.495 28.762 ( 0.000 -4.435 0.000) 4.435 29.451 ( 0.000 2.877 0.000) 2.877 29.501 ( 0.000 -1.799 0.000) 1.799 29.751 ( 0.000 12.744 0.000) 12.744 29.992 ( 0.000 -9.444 0.000) 9.444 31.641 ( 0.000 1.044 0.000) 1.044 31.708 ( 0.000 -5.456 0.000) 5.456 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 11.862 4.751 0.000) 12.778 1.107 ( 7.349 12.926 0.000) 14.870 1.180 ( 4.746 13.355 0.000) 14.174 1.607 ( -0.531 3.521 0.000) 3.561 1.652 ( 1.306 -4.580 0.000) 4.763 1.729 ( 2.660 13.879 0.000) 14.131 1.893 ( 4.997 0.422 0.000) 5.015 2.104 ( -2.542 -15.614 0.000) 15.820 2.198 ( -0.114 1.257 0.000) 1.262 2.236 ( -5.435 -1.790 0.000) 5.722 2.242 ( -10.173 5.739 0.000) 11.680 2.357 ( 1.498 -0.074 0.000) 1.500 2.454 ( 8.066 1.843 0.000) 8.274 2.496 ( -3.168 -1.032 0.000) 3.332 2.575 ( -2.263 -4.102 0.000) 4.685 2.595 ( -8.814 -5.993 0.000) 10.658 2.653 ( -0.074 6.659 0.000) 6.660 2.694 ( -0.002 0.916 0.000) 0.916 2.755 ( -0.399 -3.354 0.000) 3.378 2.864 ( 5.154 -7.593 0.000) 9.177 3.289 ( 13.669 3.016 0.000) 13.998 3.313 ( 6.082 2.914 0.000) 6.744 3.488 ( 5.537 0.164 0.000) 5.540 3.622 ( -4.291 -9.490 0.000) 10.415 3.772 ( 6.227 4.565 0.000) 7.721 3.922 ( 4.697 -9.085 0.000) 10.227 3.969 ( 0.913 8.335 0.000) 8.385 4.022 ( -7.490 6.023 0.000) 9.611 4.193 ( -3.388 -1.147 0.000) 3.577 4.269 ( -7.440 -6.924 0.000) 10.163 4.784 ( 3.243 5.039 0.000) 5.992 4.853 ( 1.798 -1.943 0.000) 2.648 5.552 ( -1.869 1.469 0.000) 2.377 5.589 ( -6.189 -0.143 0.000) 6.190 5.871 ( 3.331 3.930 0.000) 5.152 5.989 ( 5.643 -6.692 0.000) 8.753 6.158 ( 13.268 -0.808 0.000) 13.293 6.182 ( 10.491 -3.132 0.000) 10.948 6.183 ( -4.764 6.568 0.000) 8.114 6.346 ( -4.496 -7.839 0.000) 9.037 6.917 ( -1.922 2.019 0.000) 2.788 6.995 ( -2.925 -4.564 0.000) 5.421 7.163 ( -0.210 2.855 0.000) 2.862 7.224 ( -4.488 -2.507 0.000) 5.141 7.532 ( -12.201 7.506 0.000) 14.325 7.619 ( -14.410 -0.697 0.000) 14.427 8.050 ( 3.687 -0.626 0.000) 3.739 8.058 ( 4.615 -1.140 0.000) 4.754 8.264 ( -1.901 0.711 0.000) 2.030 8.287 ( -1.947 0.068 0.000) 1.948 8.352 ( -2.300 4.309 0.000) 4.884 8.470 ( -6.026 -4.705 0.000) 7.645 9.062 ( 8.682 1.529 0.000) 8.816 9.136 ( 8.021 -4.701 0.000) 9.297 9.377 ( 2.384 0.428 0.000) 2.422 9.383 ( 2.512 -0.284 0.000) 2.528 9.623 ( 2.456 2.330 0.000) 3.385 9.697 ( 0.190 -4.556 0.000) 4.560 9.809 ( -7.854 4.877 0.000) 9.245 9.929 ( -8.642 -6.094 0.000) 10.574 10.555 ( 3.568 15.019 0.000) 15.437 10.902 ( -0.769 -15.948 0.000) 15.966 11.029 ( -1.768 3.899 0.000) 4.281 11.173 ( -3.170 -7.901 0.000) 8.513 11.459 ( 2.514 7.369 0.000) 7.786 11.586 ( -1.004 -3.263 0.000) 3.414 11.650 ( 0.717 0.166 0.000) 0.736 11.659 ( 0.501 0.122 0.000) 0.516 12.860 ( 3.920 2.073 0.000) 4.435 12.866 ( 3.400 2.007 0.000) 3.948 12.986 ( 2.034 6.602 0.000) 6.908 13.102 ( 2.582 -2.334 0.000) 3.480 13.364 ( -2.918 4.455 0.000) 5.326 13.472 ( -0.736 -2.059 0.000) 2.186 13.571 ( 2.082 -2.630 0.000) 3.354 13.598 ( -1.587 -7.338 0.000) 7.508 14.050 ( -1.118 4.946 0.000) 5.071 14.055 ( 0.890 2.040 0.000) 2.226 14.115 ( -9.406 2.675 0.000) 9.779 14.162 ( -18.211 2.116 0.000) 18.333 14.246 ( -4.466 2.411 0.000) 5.075 14.260 ( -1.802 1.775 0.000) 2.530 14.316 ( -7.375 0.801 0.000) 7.418 14.339 ( -6.197 -0.911 0.000) 6.264 14.651 ( 6.187 -0.235 0.000) 6.192 14.663 ( 5.210 -1.155 0.000) 5.337 15.008 ( 7.016 2.342 0.000) 7.397 15.041 ( 7.651 0.157 0.000) 7.653 17.022 ( -4.426 -0.707 0.000) 4.483 17.088 ( -6.670 -5.679 0.000) 8.761 18.023 ( 6.348 0.834 0.000) 6.403 18.047 ( 5.336 -1.331 0.000) 5.499 20.480 ( 0.672 1.624 0.000) 1.757 20.513 ( 0.012 -1.428 0.000) 1.428 20.807 ( 0.016 1.812 0.000) 1.812 20.847 ( -0.835 -1.901 0.000) 2.076 25.546 ( 1.511 3.432 0.000) 3.750 25.621 ( -1.218 -3.546 0.000) 3.749 25.821 ( -10.737 7.845 0.000) 13.298 25.953 ( -8.910 -5.133 0.000) 10.283 27.122 ( 7.153 1.552 0.000) 7.319 27.163 ( 6.158 -2.361 0.000) 6.595 27.322 ( -0.259 1.109 0.000) 1.139 27.343 ( -0.483 -0.812 0.000) 0.945 27.501 ( 9.186 2.848 0.000) 9.617 27.596 ( 14.777 -6.851 0.000) 16.287 28.262 ( -1.849 4.170 0.000) 4.561 28.353 ( -3.159 -4.101 0.000) 5.177 28.397 ( -2.031 0.079 0.000) 2.032 28.416 ( -4.976 -1.987 0.000) 5.358 28.580 ( 1.830 1.733 0.000) 2.520 28.606 ( 0.200 -0.633 0.000) 0.664 28.781 ( 11.816 8.206 0.000) 14.386 28.956 ( 15.272 -8.620 0.000) 17.536 29.445 ( -0.657 2.530 0.000) 2.614 29.474 ( -2.840 0.246 0.000) 2.851 29.754 ( 0.564 9.600 0.000) 9.617 29.958 ( -3.146 -8.597 0.000) 9.154 31.558 ( -6.313 2.095 0.000) 6.651 31.643 ( -5.640 -6.291 0.000) 8.449 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 10.834 13.221 0.000) 17.093 1.339 ( 7.692 4.587 0.000) 8.956 1.350 ( 8.329 4.953 0.000) 9.691 1.538 ( -7.086 3.597 0.000) 7.947 1.681 ( 0.410 -7.097 0.000) 7.109 1.720 ( -2.791 1.394 0.000) 3.120 1.970 ( 2.105 -1.314 0.000) 2.482 1.977 ( -5.363 4.556 0.000) 7.037 2.062 ( -3.680 -6.577 0.000) 7.536 2.071 ( -7.695 -4.283 0.000) 8.807 2.262 ( 4.786 1.269 0.000) 4.952 2.356 ( -2.292 -1.154 0.000) 2.566 2.424 ( -1.730 -1.428 0.000) 2.243 2.431 ( -3.985 -3.505 0.000) 5.308 2.571 ( 0.720 1.607 0.000) 1.761 2.581 ( -0.345 -0.204 0.000) 0.401 2.710 ( 0.871 -0.552 0.000) 1.031 2.715 ( 1.040 -2.235 0.000) 2.466 2.935 ( 19.392 5.377 0.000) 20.123 3.033 ( 10.182 -2.933 0.000) 10.596 3.240 ( -8.542 4.249 0.000) 9.540 3.323 ( -13.899 -1.639 0.000) 13.995 3.599 ( 5.975 2.611 0.000) 6.521 3.672 ( 4.132 -2.599 0.000) 4.882 3.849 ( 1.884 9.968 0.000) 10.145 3.963 ( -1.340 6.518 0.000) 6.654 3.976 ( 4.443 4.262 0.000) 6.156 4.015 ( -0.988 -3.133 0.000) 3.285 4.121 ( -3.148 -8.171 0.000) 8.756 4.125 ( -2.534 -5.050 0.000) 5.650 4.863 ( 3.508 3.506 0.000) 4.959 4.891 ( 0.972 0.366 0.000) 1.038 5.515 ( -0.549 2.345 0.000) 2.408 5.544 ( -1.394 -1.016 0.000) 1.724 5.984 ( 6.440 4.231 0.000) 7.706 6.046 ( 0.835 0.378 0.000) 0.917 6.126 ( 0.118 1.116 0.000) 1.122 6.192 ( -5.782 -4.230 0.000) 7.164 6.339 ( 3.180 -8.434 0.000) 9.014 6.352 ( 1.897 -8.005 0.000) 8.227 6.933 ( 3.029 -2.761 0.000) 4.098 6.944 ( -0.127 -3.680 0.000) 3.682 7.146 ( -1.034 5.004 0.000) 5.110 7.186 ( -0.068 2.885 0.000) 2.886 7.283 ( -8.240 1.731 0.000) 8.420 7.300 ( -13.034 -1.178 0.000) 13.087 8.113 ( 3.031 2.070 0.000) 3.671 8.170 ( 3.960 -4.041 0.000) 5.658 8.201 ( -2.153 4.542 0.000) 5.026 8.287 ( -3.197 -2.890 0.000) 4.310 8.304 ( 1.839 1.784 0.000) 2.563 8.372 ( -3.690 -2.781 0.000) 4.621 9.232 ( 6.732 1.821 0.000) 6.974 9.274 ( 3.727 -1.570 0.000) 4.044 9.416 ( 0.830 0.416 0.000) 0.929 9.422 ( 0.619 -0.200 0.000) 0.650 9.671 ( 1.615 0.990 0.000) 1.894 9.679 ( -2.650 1.139 0.000) 2.884 9.701 ( -0.234 -1.834 0.000) 1.849 9.746 ( -7.217 -4.693 0.000) 8.609 10.674 ( 7.544 9.530 0.000) 12.155 10.833 ( -6.578 0.091 0.000) 6.578 11.019 ( 2.022 -7.641 0.000) 7.904 11.093 ( -4.312 -9.107 0.000) 10.076 11.504 ( 1.983 4.590 0.000) 5.000 11.549 ( -2.250 1.066 0.000) 2.490 11.668 ( 0.673 -0.635 0.000) 0.925 11.671 ( 0.391 -0.426 0.000) 0.578 12.945 ( 3.163 3.108 0.000) 4.434 12.946 ( 3.217 2.531 0.000) 4.093 13.056 ( 4.390 7.858 0.000) 9.001 13.130 ( -1.427 5.068 0.000) 5.265 13.348 ( 2.566 -4.797 0.000) 5.440 13.429 ( -3.446 -7.440 0.000) 8.199 13.531 ( -3.766 -0.867 0.000) 3.865 13.543 ( -4.249 -0.637 0.000) 4.296 13.888 ( -4.210 4.701 0.000) 6.310 13.905 ( -4.810 2.457 0.000) 5.402 14.095 ( 1.976 2.090 0.000) 2.876 14.112 ( 1.506 0.984 0.000) 1.799 14.181 ( -3.345 0.265 0.000) 3.356 14.186 ( -2.448 0.591 0.000) 2.518 14.238 ( -1.343 2.340 0.000) 2.699 14.248 ( -2.468 0.952 0.000) 2.645 14.739 ( 2.276 -0.597 0.000) 2.353 14.742 ( 2.012 -0.788 0.000) 2.161 15.118 ( 3.112 3.965 0.000) 5.040 15.133 ( 1.670 3.208 0.000) 3.616 16.952 ( -1.635 -4.795 0.000) 5.066 16.972 ( -3.626 -5.908 0.000) 6.932 18.129 ( 3.013 0.069 0.000) 3.014 18.135 ( 2.355 -0.530 0.000) 2.414 20.497 ( 0.824 0.856 0.000) 1.188 20.510 ( -0.391 -0.346 0.000) 0.522 20.811 ( 0.481 0.537 0.000) 0.721 20.827 ( -0.980 -0.898 0.000) 1.329 25.571 ( 0.585 2.334 0.000) 2.406 25.590 ( -1.479 0.070 0.000) 1.480 25.714 ( 0.341 3.213 0.000) 3.231 25.789 ( -6.175 -3.559 0.000) 7.127 27.216 ( 2.154 0.510 0.000) 2.214 27.227 ( 1.017 -0.470 0.000) 1.120 27.323 ( 0.335 0.666 0.000) 0.745 27.333 ( -0.544 -0.174 0.000) 0.571 27.735 ( 10.898 3.377 0.000) 11.410 27.824 ( 4.475 -4.895 0.000) 6.632 28.244 ( -0.326 0.161 0.000) 0.364 28.273 ( -4.547 -2.550 0.000) 5.213 28.318 ( -2.174 -0.950 0.000) 2.372 28.326 ( -3.150 -1.432 0.000) 3.460 28.604 ( 0.644 1.123 0.000) 1.295 28.610 ( 0.018 0.591 0.000) 0.592 29.080 ( 14.428 8.785 0.000) 16.893 29.229 ( 6.507 -4.044 0.000) 7.661 29.381 ( -4.470 2.948 0.000) 5.355 29.414 ( -2.667 0.503 0.000) 2.714 29.789 ( 3.123 1.602 0.000) 3.509 29.874 ( -4.560 -5.469 0.000) 7.120 31.465 ( -1.258 -0.954 0.000) 1.579 31.516 ( -5.470 -5.740 0.000) 7.930 ======================= Grid point 25 (10/45) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 0.000 29.434) 29.434 0.587 ( 0.000 0.000 28.199) 28.199 0.958 ( 0.000 0.000 37.835) 37.835 1.514 ( 0.000 0.000 7.063) 7.063 1.730 ( 0.000 0.000 37.772) 37.772 1.889 ( 0.000 0.000 -2.446) 2.446 1.959 ( 0.000 0.000 14.996) 14.996 2.205 ( 0.000 0.000 2.777) 2.777 2.270 ( 0.000 0.000 5.366) 5.366 2.402 ( 0.000 0.000 -0.459) 0.459 2.413 ( 0.000 0.000 1.246) 1.246 2.523 ( 0.000 0.000 -5.822) 5.822 2.756 ( 0.000 0.000 31.016) 31.016 2.781 ( 0.000 0.000 -2.555) 2.555 2.809 ( 0.000 0.000 -5.283) 5.283 2.848 ( 0.000 0.000 -4.670) 4.670 2.917 ( 0.000 0.000 1.001) 1.001 3.028 ( 0.000 0.000 58.311) 58.311 3.109 ( 0.000 0.000 52.967) 52.967 3.158 ( 0.000 0.000 38.486) 38.486 3.358 ( 0.000 0.000 5.936) 5.936 3.395 ( 0.000 0.000 7.302) 7.302 3.452 ( 0.000 0.000 30.540) 30.540 3.563 ( 0.000 0.000 3.482) 3.482 3.620 ( 0.000 0.000 -15.600) 15.600 3.725 ( 0.000 0.000 -3.499) 3.499 3.796 ( 0.000 0.000 12.706) 12.706 3.927 ( 0.000 0.000 -0.419) 0.419 4.186 ( 0.000 0.000 -4.116) 4.116 4.679 ( 0.000 0.000 13.428) 13.428 4.755 ( 0.000 0.000 12.085) 12.085 4.939 ( 0.000 0.000 -2.290) 2.290 5.383 ( 0.000 0.000 -14.318) 14.318 5.603 ( 0.000 0.000 -1.920) 1.920 5.699 ( 0.000 0.000 -1.666) 1.666 6.056 ( 0.000 0.000 5.018) 5.018 6.087 ( 0.000 0.000 0.002) 0.002 6.172 ( 0.000 0.000 1.155) 1.155 6.289 ( 0.000 0.000 14.326) 14.326 6.691 ( 0.000 0.000 3.001) 3.001 6.693 ( 0.000 0.000 -12.118) 12.118 6.886 ( 0.000 0.000 -9.166) 9.166 7.084 ( 0.000 0.000 -2.616) 2.616 7.148 ( 0.000 0.000 5.110) 5.110 7.196 ( 0.000 0.000 -13.899) 13.899 7.709 ( 0.000 0.000 5.836) 5.836 7.963 ( 0.000 0.000 -5.938) 5.938 8.042 ( 0.000 0.000 3.596) 3.596 8.196 ( 0.000 0.000 -6.209) 6.209 8.237 ( 0.000 0.000 1.429) 1.429 8.383 ( 0.000 0.000 -0.763) 0.763 8.608 ( 0.000 0.000 -6.864) 6.864 9.170 ( 0.000 0.000 0.002) 0.002 9.206 ( 0.000 0.000 -4.830) 4.830 9.228 ( 0.000 0.000 -7.054) 7.054 9.371 ( 0.000 0.000 8.244) 8.244 9.497 ( 0.000 0.000 -5.980) 5.980 9.645 ( 0.000 0.000 -9.824) 9.824 9.816 ( 0.000 0.000 4.685) 4.685 10.197 ( 0.000 0.000 10.475) 10.475 10.325 ( 0.000 0.000 6.073) 6.073 11.014 ( 0.000 0.000 9.773) 9.773 11.064 ( 0.000 0.000 -6.298) 6.298 11.307 ( 0.000 0.000 -11.314) 11.314 11.466 ( 0.000 0.000 -6.774) 6.774 11.548 ( 0.000 0.000 -4.199) 4.199 11.594 ( 0.000 0.000 -0.028) 0.028 12.002 ( 0.000 0.000 4.624) 4.624 12.649 ( 0.000 0.000 -8.650) 8.650 12.706 ( 0.000 0.000 -3.760) 3.760 12.842 ( 0.000 0.000 -11.778) 11.778 12.873 ( 0.000 0.000 3.463) 3.463 13.414 ( 0.000 0.000 4.336) 4.336 13.505 ( 0.000 0.000 10.968) 10.968 13.585 ( 0.000 0.000 7.385) 7.385 13.686 ( 0.000 0.000 4.905) 4.905 13.814 ( 0.000 0.000 -13.721) 13.721 13.994 ( 0.000 0.000 -8.772) 8.772 14.028 ( 0.000 0.000 6.420) 6.420 14.062 ( 0.000 0.000 4.115) 4.115 14.335 ( 0.000 0.000 14.150) 14.150 14.371 ( 0.000 0.000 1.826) 1.826 14.518 ( 0.000 0.000 3.508) 3.508 14.619 ( 0.000 0.000 -19.953) 19.953 14.676 ( 0.000 0.000 9.513) 9.513 14.761 ( 0.000 0.000 11.749) 11.749 14.821 ( 0.000 0.000 -10.310) 10.310 16.120 ( 0.000 0.000 -0.445) 0.445 17.050 ( 0.000 0.000 3.523) 3.523 17.343 ( 0.000 0.000 -7.924) 7.924 17.933 ( 0.000 0.000 2.920) 2.920 18.047 ( 0.000 0.000 1.865) 1.865 20.322 ( 0.000 0.000 -10.724) 10.724 20.372 ( 0.000 0.000 -17.611) 17.611 20.651 ( 0.000 0.000 -9.601) 9.601 20.746 ( 0.000 0.000 -14.707) 14.707 25.357 ( 0.000 0.000 3.244) 3.244 25.497 ( 0.000 0.000 7.071) 7.071 25.884 ( 0.000 0.000 10.737) 10.737 26.218 ( 0.000 0.000 5.413) 5.413 26.846 ( 0.000 0.000 -14.093) 14.093 26.897 ( 0.000 0.000 -9.802) 9.802 27.232 ( 0.000 0.000 -6.641) 6.641 27.547 ( 0.000 0.000 14.895) 14.895 27.632 ( 0.000 0.000 13.585) 13.585 28.111 ( 0.000 0.000 -0.522) 0.522 28.218 ( 0.000 0.000 -1.892) 1.892 28.395 ( 0.000 0.000 1.478) 1.478 28.465 ( 0.000 0.000 1.091) 1.091 28.545 ( 0.000 0.000 7.687) 7.687 28.653 ( 0.000 0.000 0.783) 0.783 28.671 ( 0.000 0.000 6.538) 6.538 28.923 ( 0.000 0.000 5.790) 5.790 29.348 ( 0.000 0.000 2.578) 2.578 29.394 ( 0.000 0.000 2.120) 2.120 29.541 ( 0.000 0.000 1.301) 1.301 29.637 ( 0.000 0.000 1.770) 1.770 30.060 ( 0.000 0.000 -9.444) 9.444 30.445 ( 0.000 0.000 1.883) 1.883 31.744 ( 0.000 0.000 -16.202) 16.202 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 18.946 0.000 20.190) 27.687 0.904 ( 20.017 0.000 15.862) 25.540 1.349 ( 34.780 0.000 27.321) 44.228 1.529 ( 1.117 0.000 7.123) 7.210 1.698 ( -3.422 0.000 33.756) 33.929 1.892 ( 0.097 0.000 -2.199) 2.201 1.985 ( 2.749 0.000 10.477) 10.831 2.180 ( -1.830 0.000 3.593) 4.032 2.285 ( 0.417 0.000 2.424) 2.459 2.294 ( -8.845 0.000 1.074) 8.910 2.447 ( 2.595 0.000 1.778) 3.146 2.582 ( 5.402 0.000 -1.907) 5.729 2.643 ( -10.032 0.000 -8.939) 13.437 2.726 ( -3.306 0.000 24.893) 25.111 2.739 ( -3.325 0.000 4.813) 5.850 2.867 ( 0.025 0.000 -0.774) 0.774 2.977 ( 2.744 0.000 0.627) 2.815 2.982 ( -3.919 0.000 54.648) 54.789 3.056 ( -2.318 0.000 59.797) 59.842 3.178 ( -0.500 0.000 32.692) 32.696 3.268 ( -7.458 0.000 5.923) 9.524 3.404 ( 0.638 0.000 6.708) 6.739 3.483 ( 2.598 0.000 27.666) 27.788 3.574 ( 2.829 0.000 0.003) 2.829 3.738 ( 7.922 0.000 -8.387) 11.537 3.796 ( 0.009 0.000 9.407) 9.408 3.866 ( 9.586 0.000 -1.200) 9.661 3.872 ( -4.235 0.000 0.025) 4.235 4.202 ( 1.126 0.000 -1.389) 1.788 4.596 ( -8.703 0.000 8.681) 12.292 4.732 ( -1.570 0.000 8.985) 9.121 4.905 ( -3.360 0.000 -0.689) 3.429 5.358 ( 1.998 0.000 -6.764) 7.053 5.676 ( 6.873 0.000 -1.328) 7.000 5.814 ( 0.321 0.000 -1.023) 1.072 6.057 ( -4.347 0.000 7.001) 8.240 6.169 ( 1.523 0.000 0.234) 1.541 6.330 ( 10.804 0.000 -8.694) 13.867 6.435 ( 15.786 0.000 -4.307) 16.364 6.664 ( -1.933 0.000 1.449) 2.415 6.725 ( 2.935 0.000 -10.832) 11.222 6.852 ( -2.281 0.000 -9.830) 10.091 7.098 ( 2.948 0.000 -0.491) 2.988 7.201 ( -0.727 0.000 -9.136) 9.164 7.210 ( 3.241 0.000 5.881) 6.715 7.575 ( -11.764 0.000 5.797) 13.115 7.965 ( -1.210 0.000 -6.347) 6.461 8.085 ( 4.506 0.000 0.335) 4.519 8.141 ( -0.490 0.000 -7.661) 7.676 8.176 ( -5.634 0.000 -0.430) 5.651 8.418 ( 0.009 0.000 -7.828) 7.828 8.489 ( -8.072 0.000 -4.290) 9.141 9.187 ( 2.229 0.000 1.153) 2.509 9.238 ( 2.939 0.000 -5.959) 6.644 9.310 ( 4.617 0.000 -7.124) 8.489 9.440 ( 4.772 0.000 10.635) 11.657 9.500 ( 1.034 0.000 -6.311) 6.395 9.640 ( -0.555 0.000 -9.151) 9.168 9.731 ( -5.024 0.000 0.793) 5.086 10.197 ( -6.594 0.000 8.442) 10.712 10.364 ( 8.637 0.000 9.528) 12.860 10.977 ( -3.857 0.000 6.807) 7.824 11.103 ( 3.672 0.000 -6.306) 7.297 11.322 ( 1.444 0.000 -9.905) 10.010 11.455 ( -6.035 0.000 -4.465) 7.507 11.510 ( 3.919 0.000 -3.888) 5.521 11.604 ( -1.671 0.000 -0.059) 1.672 11.918 ( -6.595 0.000 9.421) 11.500 12.640 ( -0.337 0.000 -8.625) 8.632 12.724 ( -1.331 0.000 -5.016) 5.190 12.779 ( 0.642 0.000 -6.726) 6.757 12.940 ( 2.464 0.000 0.002) 2.464 13.371 ( -3.236 0.000 3.716) 4.928 13.551 ( -3.506 0.000 5.981) 6.933 13.564 ( 5.502 0.000 9.864) 11.295 13.730 ( 3.572 0.000 5.410) 6.483 13.819 ( 0.358 0.000 -12.313) 12.318 13.993 ( -3.057 0.000 5.318) 6.134 13.996 ( 0.474 0.000 -5.497) 5.518 14.057 ( 0.372 0.000 5.178) 5.191 14.282 ( -4.077 0.000 11.844) 12.526 14.339 ( -2.319 0.000 5.044) 5.552 14.435 ( -6.083 0.000 5.283) 8.057 14.689 ( 5.479 0.000 -16.671) 17.549 14.725 ( 2.579 0.000 7.700) 8.120 14.810 ( 3.090 0.000 9.323) 9.821 14.843 ( 1.465 0.000 -10.287) 10.390 14.952 ( -51.173 0.000 55.807) 75.717 17.134 ( -0.665 0.000 -9.310) 9.334 17.309 ( -5.407 0.000 -8.513) 10.085 18.028 ( 6.494 0.000 1.929) 6.775 18.097 ( 3.815 0.000 1.389) 4.059 20.328 ( 0.554 0.000 -11.333) 11.347 20.369 ( -0.297 0.000 -16.817) 16.820 20.658 ( 0.652 0.000 -10.237) 10.257 20.735 ( -1.002 0.000 -14.323) 14.358 25.384 ( 2.891 0.000 4.093) 5.011 25.568 ( 6.293 0.000 6.699) 9.192 25.812 ( -6.442 0.000 9.365) 11.367 26.139 ( -7.178 0.000 6.399) 9.616 26.901 ( 6.711 0.000 -12.395) 14.095 27.073 ( 8.501 0.000 -14.685) 16.968 27.221 ( -1.118 0.000 -6.387) 6.484 27.456 ( -7.887 0.000 8.488) 11.587 27.644 ( 5.037 0.000 13.938) 14.821 28.138 ( -3.859 0.000 3.621) 5.292 28.161 ( 5.024 0.000 -0.426) 5.042 28.396 ( -3.964 0.000 0.440) 3.988 28.478 ( -3.322 0.000 4.381) 5.498 28.525 ( 10.909 0.000 1.666) 11.036 28.623 ( -4.149 0.000 5.734) 7.078 28.689 ( 3.135 0.000 14.118) 14.462 28.978 ( -2.307 0.000 19.017) 19.157 29.315 ( -6.242 0.000 -2.118) 6.592 29.371 ( 0.294 0.000 4.978) 4.987 29.482 ( -3.058 0.000 7.020) 7.657 29.710 ( 4.921 0.000 -2.117) 5.357 30.024 ( -3.334 0.000 -8.801) 9.411 30.910 ( 24.628 0.000 -32.400) 40.698 31.691 ( -5.087 0.000 -17.282) 18.015 ======================= Grid point 27 (12/45) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 19.061 0.000 12.670) 22.888 1.281 ( 16.555 0.000 17.887) 24.373 1.510 ( -5.551 0.000 8.609) 10.243 1.562 ( -10.059 0.000 25.023) 26.969 1.904 ( 2.368 0.000 0.013) 2.368 2.003 ( 15.479 0.000 6.294) 16.710 2.048 ( -11.450 0.000 4.301) 12.231 2.049 ( 2.633 0.000 2.704) 3.774 2.212 ( 12.065 0.000 17.261) 21.060 2.337 ( 3.676 0.000 -5.654) 6.744 2.451 ( -7.588 0.000 -10.095) 12.629 2.481 ( -2.666 0.000 14.717) 14.956 2.607 ( -4.361 0.000 4.697) 6.410 2.659 ( -5.138 0.000 10.281) 11.493 2.729 ( 7.548 0.000 2.816) 8.056 2.845 ( -2.930 0.000 2.705) 3.987 2.956 ( 1.708 0.000 58.585) 58.610 3.006 ( -2.382 0.000 63.225) 63.269 3.020 ( 2.299 0.000 1.250) 2.617 3.110 ( -6.685 0.000 3.467) 7.531 3.194 ( 4.172 0.000 26.755) 27.078 3.359 ( -7.347 0.000 16.080) 17.679 3.541 ( 3.465 0.000 16.209) 16.575 3.652 ( -8.263 0.000 4.920) 9.616 3.664 ( 5.150 0.000 -0.390) 5.165 3.759 ( -3.498 0.000 2.992) 4.603 4.035 ( 14.383 0.000 -4.214) 14.987 4.068 ( 8.818 0.000 1.094) 8.885 4.195 ( -2.950 0.000 2.165) 3.659 4.344 ( -14.586 0.000 0.266) 14.589 4.727 ( 1.863 0.000 4.104) 4.507 4.809 ( -5.256 0.000 1.585) 5.490 5.484 ( 9.449 0.000 2.861) 9.873 5.692 ( -8.323 0.000 5.140) 9.782 5.889 ( 7.493 0.000 -0.152) 7.495 5.984 ( -1.727 0.000 3.797) 4.172 6.230 ( 4.825 0.000 1.654) 5.101 6.363 ( -5.660 0.000 1.224) 5.791 6.652 ( 4.525 0.000 -6.316) 7.770 6.679 ( 2.420 0.000 -8.925) 9.248 6.790 ( 2.539 0.000 -9.952) 10.271 6.821 ( -0.909 0.000 -10.189) 10.230 7.181 ( 0.897 0.000 0.614) 1.087 7.187 ( 4.716 0.000 3.319) 5.767 7.246 ( -0.260 0.000 6.806) 6.811 7.308 ( -11.415 0.000 4.762) 12.368 7.916 ( -0.809 0.000 -6.289) 6.341 8.005 ( -8.524 0.000 -4.758) 9.763 8.219 ( 6.561 0.000 -13.124) 14.672 8.232 ( 7.683 0.000 -3.000) 8.248 8.354 ( -5.595 0.000 -11.885) 13.137 8.363 ( -5.023 0.000 -1.710) 5.306 9.277 ( 6.344 0.000 1.722) 6.574 9.300 ( 2.740 0.000 -7.107) 7.617 9.342 ( -1.001 0.000 -7.805) 7.869 9.424 ( -6.531 0.000 5.188) 8.341 9.558 ( 3.680 0.000 -6.690) 7.636 9.617 ( -1.863 0.000 -7.761) 7.981 9.768 ( 8.787 0.000 5.065) 10.142 9.992 ( -11.511 0.000 8.531) 14.328 10.597 ( 12.414 0.000 9.077) 15.378 10.836 ( -9.785 0.000 6.782) 11.905 11.202 ( 5.402 0.000 -6.641) 8.561 11.314 ( -5.065 0.000 -7.152) 8.764 11.397 ( 3.912 0.000 -4.238) 5.768 11.516 ( -6.127 0.000 -1.116) 6.227 11.622 ( 6.706 0.000 1.215) 6.816 11.771 ( -7.353 0.000 7.163) 10.265 12.644 ( 0.737 0.000 -9.151) 9.180 12.672 ( -2.065 0.000 -9.139) 9.369 12.858 ( 4.910 0.000 -2.215) 5.386 12.944 ( -2.452 0.000 0.287) 2.468 13.342 ( 1.796 0.000 3.931) 4.322 13.441 ( -6.378 0.000 4.817) 7.993 13.707 ( 7.225 0.000 3.493) 8.025 13.809 ( -2.163 0.000 -8.074) 8.359 13.816 ( 4.606 0.000 4.736) 6.606 13.913 ( -4.520 0.000 4.482) 6.365 14.040 ( 4.901 0.000 6.826) 8.403 14.102 ( 3.758 0.000 7.359) 8.263 14.191 ( -4.522 0.000 9.483) 10.506 14.254 ( -16.077 0.000 25.604) 30.232 14.305 ( -0.415 0.000 7.833) 7.844 14.346 ( -5.670 0.000 14.261) 15.346 14.798 ( 4.343 0.000 -13.322) 14.012 14.817 ( 3.060 0.000 6.058) 6.787 14.849 ( 0.225 0.000 6.567) 6.571 14.853 ( -0.921 0.000 -11.231) 11.268 17.120 ( 0.700 0.000 -8.051) 8.081 17.183 ( -5.281 0.000 -7.434) 9.118 18.138 ( 3.447 0.000 0.885) 3.559 18.159 ( 1.366 0.000 0.843) 1.605 20.343 ( 0.813 0.000 -12.905) 12.931 20.359 ( -0.660 0.000 -14.942) 14.957 20.678 ( 1.283 0.000 -11.721) 11.791 20.708 ( -1.494 0.000 -13.251) 13.335 25.483 ( 6.638 0.000 5.328) 8.511 25.644 ( -8.078 0.000 6.575) 10.415 25.742 ( 9.169 0.000 7.387) 11.775 25.951 ( -10.259 0.000 7.287) 12.584 27.061 ( 7.391 0.000 -10.178) 12.578 27.171 ( -2.590 0.000 -9.179) 9.537 27.209 ( 4.082 0.000 -7.593) 8.621 27.313 ( -5.843 0.000 -2.124) 6.217 27.810 ( 10.313 0.000 11.427) 15.393 28.022 ( -8.652 0.000 6.824) 11.019 28.307 ( 8.447 0.000 1.119) 8.521 28.354 ( 0.608 0.000 1.551) 1.666 28.405 ( -3.521 0.000 3.103) 4.693 28.483 ( -7.951 0.000 3.537) 8.702 28.769 ( 4.589 0.000 18.918) 19.467 28.815 ( 14.846 0.000 1.099) 14.886 28.878 ( -5.762 0.000 22.576) 23.300 29.107 ( -12.786 0.000 -0.763) 12.808 29.396 ( 1.631 0.000 5.991) 6.209 29.433 ( -1.977 0.000 7.354) 7.615 29.818 ( 5.527 0.000 -4.940) 7.413 29.932 ( -5.249 0.000 -7.141) 8.862 31.293 ( 14.247 0.000 -27.344) 30.833 31.538 ( -9.638 0.000 -20.781) 22.908 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 16.886 -3.235) 17.193 0.795 ( 0.000 20.372 19.773) 28.390 1.389 ( 0.000 20.142 27.656) 34.213 1.565 ( 0.000 6.749 11.065) 12.961 1.693 ( 0.000 -4.324 23.862) 24.251 1.855 ( 0.000 -0.245 9.437) 9.440 1.965 ( 0.000 -0.080 11.656) 11.656 2.244 ( 0.000 2.040 -1.305) 2.421 2.307 ( 0.000 1.135 1.198) 1.650 2.412 ( 0.000 -2.349 -0.217) 2.359 2.418 ( 0.000 -3.444 2.244) 4.110 2.486 ( 0.000 -0.733 2.630) 2.730 2.706 ( 0.000 -2.667 10.177) 10.521 2.715 ( 0.000 -6.450 -1.510) 6.624 2.716 ( 0.000 -6.070 12.145) 13.578 2.766 ( 0.000 -2.600 -5.414) 6.006 2.896 ( 0.000 -0.725 13.105) 13.125 3.073 ( 0.000 1.222 47.099) 47.115 3.120 ( 0.000 -0.282 51.467) 51.468 3.128 ( 0.000 0.102 29.922) 29.922 3.299 ( 0.000 -7.144 2.300) 7.505 3.376 ( 0.000 -4.064 30.211) 30.483 3.516 ( 0.000 -0.069 9.669) 9.669 3.647 ( 0.000 6.640 5.072) 8.355 3.795 ( 0.000 -0.197 9.174) 9.176 3.869 ( 0.000 20.478 -12.408) 23.944 3.938 ( 0.000 2.046 1.899) 2.792 3.977 ( 0.000 11.910 -10.476) 15.862 4.145 ( 0.000 -3.427 -3.043) 4.583 4.485 ( 0.000 -13.566 11.450) 17.752 4.795 ( 0.000 0.088 9.346) 9.346 4.855 ( 0.000 -5.951 -4.111) 7.233 5.387 ( 0.000 4.124 -9.660) 10.504 5.612 ( 0.000 0.668 -2.655) 2.738 5.736 ( 0.000 3.441 -0.892) 3.555 6.012 ( 0.000 -2.996 1.168) 3.216 6.035 ( 0.000 -2.572 4.883) 5.519 6.112 ( 0.000 -4.845 0.732) 4.900 6.283 ( 0.000 -0.045 12.199) 12.199 6.553 ( 0.000 -8.796 0.447) 8.807 6.748 ( 0.000 4.290 -10.317) 11.174 6.922 ( 0.000 2.191 -8.264) 8.550 7.110 ( 0.000 0.805 -2.873) 2.984 7.330 ( 0.000 5.637 -6.212) 8.388 7.332 ( 0.000 11.178 -10.236) 15.156 7.688 ( 0.000 -1.198 -0.086) 1.201 8.014 ( 0.000 4.441 -5.577) 7.129 8.044 ( 0.000 0.441 4.222) 4.245 8.156 ( 0.000 -1.334 -2.153) 2.533 8.326 ( 0.000 5.421 0.582) 5.452 8.329 ( 0.000 -4.296 -3.008) 5.245 8.612 ( 0.000 -0.609 -6.023) 6.054 9.063 ( 0.000 -5.559 3.288) 6.458 9.192 ( 0.000 -1.931 -0.310) 1.956 9.276 ( 0.000 1.927 -5.729) 6.044 9.330 ( 0.000 -2.275 2.961) 3.734 9.529 ( 0.000 1.393 -3.111) 3.409 9.673 ( 0.000 -0.110 -11.858) 11.859 9.840 ( 0.000 2.999 4.437) 5.355 10.186 ( 0.000 -2.117 7.849) 8.129 10.341 ( 0.000 4.219 6.325) 7.603 11.029 ( 0.000 2.311 6.228) 6.643 11.165 ( 0.000 8.003 -3.592) 8.773 11.223 ( 0.000 -10.118 -5.727) 11.626 11.394 ( 0.000 -4.881 -8.184) 9.529 11.548 ( 0.000 -3.742 3.457) 5.094 11.574 ( 0.000 2.450 -3.395) 4.187 11.883 ( 0.000 -6.592 8.266) 10.573 12.669 ( 0.000 1.238 -9.535) 9.615 12.710 ( 0.000 0.318 -5.198) 5.207 12.911 ( 0.000 3.288 2.554) 4.163 12.915 ( 0.000 4.670 -11.483) 12.396 13.455 ( 0.000 -0.180 5.106) 5.109 13.549 ( 0.000 4.279 2.158) 4.792 13.650 ( 0.000 -3.336 4.244) 5.398 13.711 ( 0.000 11.762 3.551) 12.286 13.775 ( 0.000 -4.616 -9.665) 10.711 13.941 ( 0.000 0.015 -0.653) 0.653 14.052 ( 0.000 -0.146 1.897) 1.903 14.110 ( 0.000 3.395 -3.164) 4.641 14.258 ( 0.000 -2.936 1.223) 3.181 14.477 ( 0.000 4.401 9.043) 10.058 14.530 ( 0.000 2.498 7.465) 7.872 14.544 ( 0.000 -5.834 -17.275) 18.233 14.623 ( 0.000 -4.377 3.864) 5.839 14.772 ( 0.000 0.377 10.612) 10.619 14.872 ( 0.000 3.728 -2.384) 4.425 15.518 ( 0.000 -31.097 27.413) 41.455 17.052 ( 0.000 0.324 2.462) 2.483 17.237 ( 0.000 -5.456 -4.402) 7.010 17.923 ( 0.000 0.257 1.891) 1.908 18.029 ( 0.000 -1.616 1.745) 2.378 20.335 ( 0.000 1.128 -10.838) 10.897 20.404 ( 0.000 0.789 -15.501) 15.521 20.662 ( 0.000 0.962 -10.037) 10.083 20.740 ( 0.000 -0.657 -14.337) 14.352 25.524 ( 0.000 2.527 6.858) 7.309 25.628 ( 0.000 12.243 -8.676) 15.005 25.882 ( 0.000 1.385 8.687) 8.797 26.186 ( 0.000 -2.902 4.791) 5.602 26.849 ( 0.000 0.373 -12.833) 12.839 26.894 ( 0.000 -0.354 -9.753) 9.759 27.257 ( 0.000 2.403 -4.993) 5.541 27.537 ( 0.000 -1.173 14.608) 14.655 27.624 ( 0.000 -0.739 13.350) 13.371 27.860 ( 0.000 -22.655 14.521) 26.910 28.171 ( 0.000 5.136 -0.419) 5.153 28.395 ( 0.000 0.005 1.561) 1.561 28.447 ( 0.000 0.185 1.756) 1.766 28.561 ( 0.000 1.159 6.774) 6.873 28.624 ( 0.000 -1.001 3.869) 3.997 28.631 ( 0.000 -3.448 6.241) 7.130 28.903 ( 0.000 -1.793 6.810) 7.042 28.958 ( 0.000 -11.069 24.433) 26.824 29.407 ( 0.000 3.948 1.233) 4.136 29.541 ( 0.000 -0.113 1.750) 1.754 29.588 ( 0.000 5.330 7.084) 8.865 30.037 ( 0.000 -2.470 -8.238) 8.600 31.123 ( 0.000 21.316 -32.623) 38.970 31.667 ( 0.000 -6.731 -16.527) 17.845 ======================= Grid point 31 (14/45) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 17.405 2.224 7.006) 18.893 1.084 ( 18.525 13.671 10.464) 25.290 1.545 ( 3.396 2.347 9.594) 10.444 1.620 ( 9.867 11.450 17.653) 23.240 1.711 ( 0.734 0.341 27.640) 27.652 1.880 ( 6.087 -0.062 2.647) 6.638 2.002 ( 3.252 2.018 7.914) 8.791 2.226 ( -1.362 3.514 0.995) 3.898 2.271 ( -9.967 -4.214 1.449) 10.918 2.293 ( -1.419 0.795 2.866) 3.295 2.443 ( 0.196 -4.981 -0.504) 5.011 2.523 ( 2.660 -2.274 3.440) 4.908 2.572 ( -6.546 -2.388 1.378) 7.103 2.660 ( -3.672 -4.082 3.565) 6.546 2.742 ( 1.377 0.646 9.453) 9.574 2.841 ( 1.572 -5.114 8.042) 9.659 2.925 ( 3.495 -2.229 11.764) 12.473 3.016 ( -6.035 2.480 40.773) 41.292 3.047 ( -2.204 -0.846 55.612) 55.662 3.148 ( 0.524 -1.026 33.145) 33.165 3.279 ( -3.651 -1.537 4.516) 6.007 3.408 ( 2.620 -2.171 22.955) 23.206 3.621 ( 7.978 -0.535 9.759) 12.616 3.655 ( -3.254 10.222 -0.941) 10.769 3.730 ( -1.611 11.478 1.522) 11.690 3.833 ( 2.396 0.298 5.537) 6.041 3.872 ( -4.806 3.027 5.748) 8.081 4.059 ( 4.239 9.262 -6.580) 12.126 4.178 ( 2.826 -1.358 -1.415) 3.440 4.435 ( -5.078 -11.125 8.697) 15.007 4.765 ( -1.958 -0.592 6.359) 6.680 4.883 ( 0.999 -1.436 -0.454) 1.807 5.374 ( 0.181 1.942 -7.823) 8.063 5.670 ( 5.078 0.499 0.345) 5.114 5.804 ( -0.061 -1.213 -1.701) 2.090 6.063 ( -2.627 -0.425 3.133) 4.111 6.118 ( 1.449 -3.965 -0.686) 4.276 6.172 ( 14.819 -8.841 -7.008) 18.625 6.377 ( 8.647 -3.087 6.977) 11.532 6.514 ( -2.473 -9.048 0.355) 9.387 6.792 ( 4.177 4.146 -7.303) 9.380 6.931 ( 0.777 4.142 -9.749) 10.620 7.061 ( -3.387 -2.027 -2.018) 4.433 7.286 ( -5.125 1.572 -1.855) 5.672 7.314 ( -1.643 8.841 -1.815) 9.174 7.609 ( -7.029 2.605 1.785) 7.706 7.998 ( -3.090 2.612 -4.773) 6.257 8.068 ( 1.750 -1.334 -1.876) 2.891 8.114 ( -0.052 -0.647 -5.431) 5.470 8.252 ( -5.207 4.036 -1.863) 6.847 8.346 ( 0.332 -3.922 -4.100) 5.683 8.505 ( -7.437 0.369 -4.393) 8.646 9.120 ( 4.442 -3.952 2.839) 6.589 9.251 ( 4.315 0.614 -3.511) 5.597 9.326 ( 3.206 0.764 -6.075) 6.911 9.393 ( 5.121 -3.285 6.686) 9.039 9.534 ( 0.832 1.624 -4.102) 4.489 9.646 ( -3.012 0.406 -9.274) 9.759 9.754 ( -4.559 1.752 1.535) 5.120 10.141 ( -6.740 -4.849 7.613) 11.265 10.408 ( 7.725 5.202 8.343) 12.504 10.982 ( -4.354 1.331 5.887) 7.442 11.185 ( 1.451 3.463 -4.983) 6.240 11.252 ( 3.117 -5.738 -4.665) 8.026 11.422 ( -0.888 -5.978 -3.379) 6.924 11.466 ( -1.496 0.550 -3.411) 3.765 11.609 ( -0.070 0.712 0.275) 0.766 11.842 ( -3.782 -4.845 7.418) 9.634 12.662 ( 0.430 1.826 -10.020) 10.194 12.766 ( 3.340 1.688 -4.987) 6.235 12.826 ( -2.684 4.819 -7.797) 9.551 12.979 ( 1.766 3.363 -2.267) 4.423 13.435 ( -2.228 -0.140 -0.453) 2.278 13.528 ( -1.412 2.355 2.424) 3.662 13.658 ( -3.404 5.687 5.029) 8.320 13.713 ( 4.435 -1.160 5.712) 7.324 13.787 ( 0.752 -2.188 -4.565) 5.118 13.940 ( -0.379 0.543 -0.696) 0.961 14.038 ( -0.274 -0.915 3.983) 4.096 14.089 ( -1.629 2.802 -1.752) 3.684 14.230 ( -1.809 -2.109 2.825) 3.962 14.404 ( -4.517 2.563 7.149) 8.836 14.429 ( -6.601 -0.533 7.063) 9.682 14.536 ( -7.614 -7.312 -1.903) 10.727 14.691 ( 4.636 -2.128 4.001) 6.483 14.800 ( 0.437 -1.272 14.983) 15.043 14.886 ( 1.863 5.454 -2.658) 6.347 15.109 ( -16.749 6.178 19.912) 26.743 17.060 ( -1.175 -5.839 -5.981) 8.441 17.187 ( -4.731 -7.478 -4.247) 9.815 18.021 ( 6.765 -0.226 1.331) 6.898 18.084 ( 4.146 -1.202 1.275) 4.501 20.339 ( 0.398 0.952 -11.490) 11.537 20.386 ( -1.147 0.782 -15.148) 15.211 20.669 ( 0.615 0.915 -10.447) 10.505 20.731 ( -0.799 -0.440 -13.796) 13.827 25.515 ( -1.603 7.003 2.471) 7.597 25.614 ( 3.552 5.437 3.988) 7.621 25.798 ( -6.159 -0.797 9.386) 11.255 26.107 ( -7.088 -2.930 6.328) 9.944 26.913 ( 6.648 1.071 -12.113) 13.859 27.062 ( 8.967 -1.067 -14.345) 16.951 27.236 ( -1.885 1.405 -5.129) 5.643 27.429 ( -7.169 -2.413 6.996) 10.303 27.648 ( 5.786 0.609 13.773) 14.952 27.992 ( 4.859 -11.121 8.455) 14.791 28.192 ( 2.788 2.621 -0.170) 3.830 28.407 ( -3.130 0.570 1.753) 3.633 28.465 ( -3.648 -0.472 4.364) 5.707 28.552 ( 6.088 -0.819 5.461) 8.219 28.573 ( 1.051 -0.350 3.754) 3.914 28.736 ( 4.437 3.044 11.540) 12.732 28.909 ( -3.104 -5.194 21.441) 22.278 29.164 ( 14.426 -11.705 1.202) 18.616 29.377 ( -2.729 3.890 0.527) 4.781 29.501 ( -2.400 1.758 6.227) 6.901 29.653 ( 5.147 1.200 1.985) 5.645 30.000 ( -3.446 -2.452 -7.768) 8.844 31.134 ( 2.626 11.464 -29.442) 31.705 31.609 ( -5.469 -7.142 -17.377) 19.567 ======================= Grid point 32 (15/45) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 20.678 -4.025 7.202) 22.263 1.389 ( -0.085 2.612 10.584) 10.902 1.513 ( 4.524 4.304 11.400) 12.998 1.692 ( -3.620 2.370 12.276) 13.016 1.754 ( 5.066 -2.260 6.008) 8.177 1.939 ( -12.789 -1.903 7.163) 14.782 2.039 ( 4.386 -4.525 1.347) 6.445 2.108 ( -2.496 -2.394 -3.063) 4.620 2.291 ( 3.148 0.509 3.852) 5.001 2.309 ( 1.683 -0.388 4.865) 5.162 2.467 ( 5.551 -0.985 4.573) 7.259 2.507 ( 0.290 3.464 3.832) 5.174 2.545 ( 0.063 -2.455 -1.230) 2.747 2.618 ( -1.197 0.829 15.523) 15.591 2.774 ( 1.898 2.809 7.643) 8.361 2.825 ( -2.333 -1.607 6.898) 7.457 2.943 ( 0.615 0.099 53.773) 53.777 2.993 ( -1.302 -0.660 56.040) 56.059 3.013 ( 3.114 -2.299 13.826) 14.357 3.146 ( -8.165 0.420 1.678) 8.346 3.209 ( 6.700 1.922 21.243) 22.357 3.398 ( -6.835 2.385 16.803) 18.296 3.590 ( -0.299 5.605 5.337) 7.745 3.636 ( -5.400 -0.747 7.502) 9.273 3.766 ( 3.933 6.674 4.497) 8.957 3.829 ( -1.660 7.378 4.383) 8.741 3.974 ( 11.667 -0.924 3.528) 12.224 4.140 ( 1.339 0.865 2.711) 3.145 4.216 ( 0.005 2.413 1.395) 2.787 4.288 ( -7.175 -5.054 2.822) 9.219 4.758 ( 2.133 2.008 1.603) 3.339 4.843 ( -4.598 3.096 -0.842) 5.606 5.464 ( 8.821 -1.038 0.976) 8.935 5.664 ( -7.500 -2.239 4.705) 9.132 5.892 ( 6.857 0.226 -1.564) 7.037 5.982 ( -2.274 0.202 1.158) 2.560 6.160 ( 3.710 -4.931 -0.827) 6.226 6.280 ( -4.968 -7.531 -3.313) 9.611 6.518 ( 4.372 -8.869 -2.742) 10.262 6.544 ( 2.891 -9.895 -3.638) 10.932 6.898 ( 4.336 7.230 -5.857) 10.266 6.942 ( -0.200 8.385 -8.531) 11.964 7.037 ( 2.261 -7.714 0.948) 8.095 7.137 ( -7.270 -5.117 2.723) 9.297 7.297 ( 1.706 4.643 5.194) 7.172 7.426 ( -9.500 5.668 8.138) 13.733 7.942 ( 0.670 1.833 -8.036) 8.269 8.032 ( -5.892 1.569 -7.933) 10.005 8.184 ( 3.039 -2.347 -7.570) 8.488 8.228 ( 4.341 -1.471 -4.692) 6.560 8.313 ( -2.127 -1.490 -7.228) 7.680 8.384 ( -4.716 1.496 -2.845) 5.707 9.239 ( 7.026 -2.039 2.101) 7.611 9.325 ( 2.302 1.356 -6.892) 7.392 9.354 ( -0.622 0.932 -4.720) 4.851 9.409 ( -5.440 0.180 5.587) 7.801 9.574 ( 3.023 0.440 -6.506) 7.188 9.609 ( 0.014 -1.021 -6.995) 7.069 9.756 ( 5.459 -1.088 3.557) 6.606 9.944 ( -10.792 -4.224 7.785) 13.961 10.618 ( 11.450 2.689 8.211) 14.344 10.841 ( -9.306 1.054 6.419) 11.354 11.230 ( 3.273 -1.637 -3.696) 5.202 11.322 ( -5.285 -1.845 -2.607) 6.175 11.351 ( 6.000 -1.224 -2.062) 6.462 11.470 ( -3.698 -2.068 -1.326) 4.439 11.621 ( 4.032 0.376 -1.470) 4.308 11.738 ( -5.947 -2.326 3.167) 7.128 12.691 ( 2.204 4.188 -11.066) 12.036 12.744 ( -2.692 6.014 -10.305) 12.232 12.890 ( 5.367 2.443 -4.184) 7.230 12.978 ( -2.271 2.685 -1.712) 3.911 13.386 ( -0.232 1.737 -1.776) 2.495 13.456 ( -5.467 0.246 0.376) 5.485 13.665 ( 3.827 -1.672 6.679) 7.877 13.738 ( -2.145 -3.367 0.718) 4.056 13.847 ( 4.560 0.200 8.158) 9.348 13.919 ( -1.944 0.804 2.511) 3.276 14.058 ( 1.380 -1.930 8.106) 8.446 14.066 ( -0.176 0.928 3.190) 3.327 14.205 ( -0.279 1.636 3.642) 4.002 14.285 ( -9.880 1.415 12.612) 16.084 14.314 ( -2.453 0.075 9.088) 9.413 14.330 ( -3.105 -0.258 5.888) 6.662 14.776 ( 3.096 -1.240 2.866) 4.398 14.807 ( 0.047 -0.221 4.730) 4.735 14.946 ( 2.887 7.996 -2.825) 8.959 14.990 ( -1.600 9.631 -1.040) 9.819 17.037 ( 0.074 -7.164 -6.735) 9.833 17.083 ( -4.261 -7.846 -5.406) 10.437 18.133 ( 3.384 -0.394 0.637) 3.466 18.151 ( 1.565 -0.686 0.695) 1.844 20.350 ( 0.680 0.618 -12.957) 12.990 20.366 ( -0.827 0.498 -14.340) 14.372 20.686 ( 1.019 0.615 -11.416) 11.477 20.710 ( -1.177 0.073 -12.649) 12.704 25.538 ( 3.901 4.249 4.711) 7.447 25.655 ( -6.756 0.990 6.631) 9.518 25.747 ( 7.989 0.553 7.168) 10.747 25.931 ( -9.250 -1.880 7.451) 12.026 27.065 ( 6.896 0.308 -10.221) 12.334 27.173 ( -2.770 0.174 -9.071) 9.486 27.207 ( 4.077 -0.192 -7.546) 8.579 27.305 ( -5.066 -0.595 -2.976) 5.906 27.821 ( 9.948 1.146 11.420) 15.189 27.996 ( -4.996 -2.394 7.636) 9.433 28.279 ( 4.787 -1.170 1.981) 5.311 28.360 ( -1.419 -1.087 2.417) 3.007 28.384 ( -1.781 -0.749 4.084) 4.518 28.463 ( -5.770 -2.182 4.846) 7.845 28.740 ( 4.984 -0.171 14.004) 14.866 28.827 ( -3.857 -2.797 19.955) 20.516 28.923 ( 13.317 7.198 3.702) 15.584 29.185 ( -9.895 5.336 -0.186) 11.243 29.400 ( 3.631 -0.434 4.745) 5.990 29.455 ( -2.151 1.750 6.740) 7.289 29.781 ( 6.480 -2.328 -3.346) 7.656 29.905 ( -5.439 -2.521 -6.245) 8.657 31.259 ( 8.780 -2.404 -24.544) 26.178 31.453 ( -9.118 -7.071 -20.075) 23.155 ======================= Grid point 35 (16/45) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 30.608 -18.827) 35.935 1.240 ( 0.000 18.740 12.016) 22.262 1.507 ( 0.000 0.126 9.761) 9.762 1.591 ( 0.000 -5.035 7.418) 8.966 1.798 ( 0.000 -11.150 2.555) 11.439 1.805 ( 0.000 -6.434 12.748) 14.280 1.940 ( 0.000 10.434 12.267) 16.104 2.146 ( 0.000 -7.628 2.777) 8.118 2.245 ( 0.000 -3.990 -3.518) 5.319 2.315 ( 0.000 -5.270 5.288) 7.466 2.355 ( 0.000 1.629 1.054) 1.940 2.396 ( 0.000 -5.137 3.016) 5.957 2.702 ( 0.000 3.271 2.612) 4.186 2.704 ( 0.000 3.984 13.298) 13.882 2.729 ( 0.000 3.158 8.232) 8.817 2.807 ( 0.000 -0.521 9.433) 9.447 2.908 ( 0.000 5.551 15.420) 16.389 3.038 ( 0.000 -0.931 35.634) 35.646 3.077 ( 0.000 -4.644 36.043) 36.340 3.103 ( 0.000 -9.641 10.393) 14.176 3.200 ( 0.000 4.017 36.129) 36.352 3.284 ( 0.000 -4.271 37.090) 37.335 3.593 ( 0.000 5.942 13.596) 14.838 3.716 ( 0.000 -4.231 6.461) 7.723 3.818 ( 0.000 6.490 13.514) 14.992 3.971 ( 0.000 5.334 0.162) 5.337 3.989 ( 0.000 -7.866 8.455) 11.548 4.126 ( 0.000 -5.870 3.159) 6.666 4.163 ( 0.000 7.424 -5.783) 9.411 4.245 ( 0.000 -3.854 -7.285) 8.242 4.772 ( 0.000 -1.173 2.063) 2.374 4.776 ( 0.000 -1.698 -4.587) 4.892 5.522 ( 0.000 6.634 -9.675) 11.731 5.610 ( 0.000 -1.593 -5.855) 6.068 5.828 ( 0.000 5.141 0.686) 5.186 5.943 ( 0.000 -5.612 3.385) 6.554 5.982 ( 0.000 -0.129 0.321) 0.346 6.015 ( 0.000 -3.552 0.388) 3.573 6.307 ( 0.000 2.789 6.372) 6.955 6.400 ( 0.000 -5.910 1.009) 5.995 6.852 ( 0.000 5.066 -7.272) 8.862 6.930 ( 0.000 -1.860 -6.678) 6.933 7.168 ( 0.000 5.178 0.177) 5.181 7.298 ( 0.000 -5.968 0.045) 5.968 7.546 ( 0.000 8.127 -11.122) 13.775 7.657 ( 0.000 -2.780 -9.882) 10.266 8.068 ( 0.000 1.864 5.074) 5.405 8.098 ( 0.000 0.939 3.219) 3.353 8.149 ( 0.000 2.246 -7.562) 7.888 8.233 ( 0.000 -4.565 -6.051) 7.580 8.446 ( 0.000 5.969 -0.118) 5.970 8.559 ( 0.000 -4.406 -3.850) 5.851 9.015 ( 0.000 1.559 7.713) 7.869 9.106 ( 0.000 -5.721 7.970) 9.810 9.299 ( 0.000 0.451 -5.074) 5.094 9.305 ( 0.000 -0.358 -3.371) 3.390 9.553 ( 0.000 1.879 -3.980) 4.401 9.618 ( 0.000 -3.903 -7.335) 8.309 9.946 ( 0.000 6.519 4.085) 7.693 10.087 ( 0.000 -6.505 5.439) 8.479 10.560 ( 0.000 15.554 4.456) 16.179 10.919 ( 0.000 -17.369 1.349) 17.422 11.115 ( 0.000 5.797 3.682) 6.867 11.260 ( 0.000 -7.585 -1.378) 7.709 11.343 ( 0.000 7.980 -3.906) 8.885 11.470 ( 0.000 -4.246 -1.916) 4.658 11.648 ( 0.000 4.693 -0.375) 4.708 11.762 ( 0.000 -5.769 4.031) 7.038 12.695 ( 0.000 1.203 -10.501) 10.569 12.712 ( 0.000 -0.321 -8.497) 8.503 12.985 ( 0.000 2.954 -1.381) 3.261 12.996 ( 0.000 2.287 -8.534) 8.835 13.468 ( 0.000 2.064 6.573) 6.890 13.553 ( 0.000 -5.434 2.588) 6.019 13.604 ( 0.000 2.191 4.312) 4.837 13.669 ( 0.000 -4.316 1.461) 4.557 13.944 ( 0.000 6.694 -1.384) 6.836 13.973 ( 0.000 1.616 -1.596) 2.271 14.085 ( 0.000 3.405 -4.303) 5.487 14.139 ( 0.000 -0.745 -5.173) 5.226 14.249 ( 0.000 3.231 -9.984) 10.494 14.392 ( 0.000 -8.440 -17.153) 19.117 14.508 ( 0.000 0.729 3.388) 3.465 14.541 ( 0.000 -2.836 2.909) 4.063 14.643 ( 0.000 5.994 16.455) 17.513 14.743 ( 0.000 -3.257 14.890) 15.242 14.964 ( 0.000 5.213 5.339) 7.462 15.116 ( 0.000 -10.757 16.188) 19.436 17.073 ( 0.000 1.989 -0.266) 2.007 17.138 ( 0.000 -4.094 -3.154) 5.168 17.945 ( 0.000 1.645 1.316) 2.107 17.987 ( 0.000 -2.223 1.473) 2.667 20.365 ( 0.000 1.639 -11.333) 11.451 20.396 ( 0.000 -1.187 -12.605) 12.661 20.688 ( 0.000 1.480 -11.231) 11.329 20.719 ( 0.000 -1.319 -12.871) 12.938 25.597 ( 0.000 4.191 6.091) 7.393 25.682 ( 0.000 -3.220 3.322) 4.626 25.990 ( 0.000 6.482 0.952) 6.551 26.106 ( 0.000 -4.710 3.058) 5.616 26.863 ( 0.000 0.900 -11.089) 11.125 26.882 ( 0.000 -0.783 -10.054) 10.084 27.330 ( 0.000 4.598 0.122) 4.600 27.453 ( 0.000 -6.970 9.475) 11.763 27.606 ( 0.000 -0.800 12.894) 12.919 27.610 ( 0.000 -2.497 12.450) 12.698 28.301 ( 0.000 6.389 -0.797) 6.438 28.387 ( 0.000 -1.416 0.208) 1.431 28.462 ( 0.000 1.120 4.784) 4.913 28.520 ( 0.000 -4.616 6.234) 7.757 28.606 ( 0.000 1.087 4.918) 5.037 28.618 ( 0.000 -0.024 3.452) 3.452 28.855 ( 0.000 -1.530 15.784) 15.858 28.861 ( 0.000 -1.697 10.166) 10.307 29.483 ( 0.000 3.007 2.900) 4.178 29.528 ( 0.000 -1.299 2.644) 2.946 29.758 ( 0.000 9.723 1.086) 9.783 29.941 ( 0.000 -6.973 -4.488) 8.293 31.366 ( 0.000 6.852 -23.666) 24.638 31.508 ( 0.000 -7.532 -18.472) 19.949 ======================= Grid point 36 (17/45) ======================= q-point: ( 0.20 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.219 27.108 -9.263) 28.648 1.369 ( 8.827 8.983 5.644) 13.801 1.539 ( 2.877 -9.357 1.751) 9.945 1.676 ( -3.245 -4.665 1.852) 5.977 1.707 ( 2.829 0.285 12.054) 12.385 1.857 ( 0.561 5.664 12.461) 13.699 1.984 ( 2.084 -5.919 2.989) 6.951 2.108 ( -0.528 -11.989 0.778) 12.026 2.293 ( -2.738 3.404 5.206) 6.796 2.340 ( 2.032 5.228 1.580) 5.827 2.350 ( 3.763 0.309 -0.377) 3.794 2.484 ( 7.155 -8.139 -0.012) 10.837 2.534 ( -6.509 1.706 4.242) 7.954 2.627 ( -8.512 -2.476 1.157) 8.940 2.729 ( -2.318 4.356 16.056) 16.797 2.861 ( 5.349 3.244 18.249) 19.292 2.889 ( 3.785 -1.708 26.726) 27.047 3.011 ( -1.937 -0.467 41.059) 41.107 3.048 ( -3.857 -1.361 41.847) 42.046 3.140 ( 0.036 -0.001 37.536) 37.536 3.256 ( 2.400 -0.402 0.004) 2.433 3.367 ( 4.501 -1.245 16.135) 16.797 3.629 ( 4.780 2.393 15.267) 16.176 3.709 ( -0.752 -4.199 9.041) 9.997 3.882 ( 4.897 5.896 10.343) 12.874 3.929 ( -5.355 8.266 -4.396) 10.786 4.034 ( -2.063 6.691 2.967) 7.604 4.062 ( 3.181 -4.260 3.372) 6.296 4.155 ( 1.181 -10.060 8.671) 13.334 4.265 ( -0.837 0.405 -2.907) 3.052 4.725 ( 0.275 -1.511 -2.289) 2.756 4.869 ( 3.988 -0.103 -0.255) 3.998 5.432 ( -1.883 2.624 -5.461) 6.345 5.708 ( -2.944 1.317 3.627) 4.853 5.767 ( 4.612 -0.769 -8.328) 9.551 5.967 ( 4.276 -4.858 -1.594) 6.665 6.066 ( 3.653 -1.412 -2.046) 4.419 6.126 ( 1.447 1.371 -4.520) 4.940 6.295 ( 0.515 -3.597 3.165) 4.818 6.392 ( 1.161 -2.602 7.606) 8.122 6.864 ( 3.149 2.421 -3.818) 5.510 6.966 ( 1.040 -0.567 -5.167) 5.301 7.061 ( -5.710 1.339 -3.047) 6.610 7.263 ( -5.462 -1.455 1.953) 5.980 7.489 ( -6.484 6.024 -4.614) 9.981 7.630 ( -1.797 -0.814 -4.146) 4.592 8.036 ( -0.908 -0.048 -0.857) 1.250 8.056 ( -7.005 0.836 -0.350) 7.063 8.108 ( 0.212 0.058 -8.110) 8.113 8.228 ( -1.923 -2.794 -3.700) 5.020 8.395 ( -2.268 5.369 -0.813) 5.885 8.485 ( -5.256 -2.595 -3.043) 6.605 9.083 ( 5.779 0.388 4.851) 7.555 9.231 ( 8.987 -2.479 5.142) 10.647 9.330 ( 2.296 -0.521 -3.475) 4.197 9.344 ( 3.308 -0.366 -3.166) 4.593 9.562 ( 1.010 1.338 -5.506) 5.756 9.624 ( -0.232 -2.097 -6.114) 6.468 9.820 ( -8.636 4.007 3.463) 10.130 10.024 ( -6.719 -5.242 6.152) 10.511 10.605 ( 4.270 13.075 5.369) 14.766 10.948 ( 2.251 -15.320 3.588) 15.894 11.037 ( -5.059 2.814 3.548) 6.790 11.284 ( -0.295 -5.517 1.606) 5.754 11.356 ( 1.587 5.927 -6.355) 8.834 11.473 ( 0.804 -0.946 -2.360) 2.666 11.648 ( -0.614 3.368 -0.807) 3.517 11.743 ( -1.919 -4.927 2.465) 5.834 12.701 ( 2.263 1.380 -12.480) 12.759 12.785 ( 4.945 0.346 -7.348) 8.864 12.929 ( -1.024 3.584 -5.519) 6.660 13.052 ( 0.544 2.698 -8.407) 8.846 13.385 ( -3.111 -2.291 4.142) 5.664 13.553 ( -4.138 -0.852 0.844) 4.309 13.651 ( -0.061 -1.742 3.175) 3.622 13.689 ( 5.311 -0.895 7.258) 9.038 13.895 ( -5.439 6.739 -1.461) 8.783 13.966 ( -1.205 0.901 -2.406) 2.838 14.042 ( -1.479 1.415 0.118) 2.050 14.093 ( -2.344 -1.903 -2.565) 3.962 14.220 ( -0.431 0.627 -4.653) 4.715 14.356 ( -3.503 -3.253 -4.440) 6.524 14.453 ( -6.875 0.755 6.902) 9.771 14.466 ( -5.921 -0.934 1.768) 6.249 14.682 ( 4.064 0.728 9.055) 9.952 14.770 ( 1.933 -1.254 15.222) 15.396 15.004 ( 4.591 4.828 1.934) 6.937 15.150 ( 1.664 -1.169 8.133) 8.383 16.984 ( -6.015 -0.585 -2.404) 6.503 17.057 ( -6.560 -4.666 -2.590) 8.456 18.026 ( 5.961 0.643 0.758) 6.043 18.055 ( 5.041 -1.327 1.072) 5.322 20.363 ( -0.103 1.198 -12.214) 12.273 20.387 ( -0.717 -0.575 -12.808) 12.841 20.691 ( 0.252 1.101 -11.325) 11.381 20.716 ( -0.248 -0.922 -12.208) 12.245 25.599 ( -0.023 2.479 4.496) 5.135 25.687 ( 1.208 -0.609 5.651) 5.811 25.846 ( -8.885 5.003 3.676) 10.839 26.029 ( -6.772 -3.881 6.777) 10.337 26.937 ( 6.385 0.931 -11.632) 13.302 27.037 ( 9.797 -0.970 -13.589) 16.780 27.271 ( -4.312 1.559 -1.492) 4.822 27.373 ( -4.044 -2.200 2.305) 5.148 27.675 ( 7.827 1.906 13.724) 15.914 27.799 ( 9.832 -6.067 11.658) 16.413 28.253 ( -0.614 2.431 -0.606) 2.580 28.409 ( -3.552 -0.156 5.530) 6.574 28.465 ( -4.751 -0.188 4.549) 6.580 28.485 ( -2.629 -2.216 6.630) 7.468 28.614 ( 10.874 1.340 5.057) 12.067 28.795 ( 4.795 1.276 12.222) 13.191 28.852 ( 3.989 1.561 10.490) 11.331 28.980 ( 12.184 -6.673 3.178) 14.251 29.452 ( -2.809 2.379 1.131) 3.851 29.528 ( -0.572 0.504 4.650) 4.712 29.755 ( -0.045 7.422 0.397) 7.432 29.910 ( -2.861 -6.245 -4.156) 8.029 31.301 ( -4.938 6.141 -22.524) 23.863 31.441 ( -5.876 -7.815 -18.671) 21.076 ======================= Grid point 37 (18/45) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 12.101 11.407 -4.592) 17.252 1.442 ( -10.268 -2.445 -1.871) 10.720 1.576 ( 4.051 1.294 4.941) 6.519 1.615 ( 1.184 -1.440 6.832) 7.081 1.757 ( 3.302 -4.284 1.788) 5.697 1.851 ( -3.973 -4.318 2.734) 6.473 2.009 ( 3.637 0.511 1.994) 4.180 2.128 ( -6.435 10.022 3.241) 12.343 2.187 ( 3.348 -9.140 6.469) 11.687 2.285 ( -4.586 -2.874 1.084) 5.520 2.421 ( -0.387 -1.536 -0.623) 1.702 2.438 ( -2.351 -1.933 0.271) 3.055 2.607 ( 4.163 -0.934 5.580) 7.024 2.673 ( -1.017 -2.426 7.336) 7.793 2.746 ( 13.399 3.528 15.461) 20.761 2.918 ( -1.237 5.165 28.321) 28.815 2.948 ( 1.021 0.547 57.494) 57.506 2.980 ( -1.209 -0.688 59.513) 59.529 2.995 ( 1.062 0.087 10.684) 10.737 3.126 ( -11.119 -1.044 -4.947) 12.215 3.240 ( 8.972 0.717 18.027) 20.148 3.408 ( -3.101 -0.473 7.434) 8.068 3.627 ( -0.553 0.185 8.929) 8.948 3.713 ( -5.982 3.029 1.988) 6.994 3.903 ( 7.655 6.544 7.025) 12.279 3.981 ( 2.445 3.721 5.304) 6.925 4.031 ( 1.974 6.322 3.866) 7.669 4.137 ( 2.534 -1.516 5.798) 6.507 4.149 ( -3.142 -5.747 10.000) 11.954 4.221 ( -2.211 -2.659 5.471) 6.472 4.796 ( 5.691 1.168 -3.785) 6.934 4.894 ( -2.282 1.275 -1.482) 3.005 5.476 ( 6.019 1.712 -0.845) 6.315 5.625 ( -5.926 -1.075 3.821) 7.133 5.895 ( 5.848 0.229 -6.758) 8.940 5.994 ( -2.165 0.562 -4.019) 4.600 6.080 ( 1.328 -2.438 -3.690) 4.618 6.103 ( -1.814 -6.598 -7.266) 9.981 6.351 ( 2.946 -4.896 2.248) 6.140 6.398 ( -1.850 -3.751 5.697) 7.067 6.915 ( 0.334 -3.013 0.597) 3.090 6.987 ( 2.368 -0.908 0.470) 2.579 7.076 ( 2.296 3.232 -6.430) 7.554 7.091 ( -4.977 2.469 -1.313) 5.709 7.372 ( -1.501 1.870 5.217) 5.741 7.502 ( -11.006 1.767 11.821) 16.248 7.971 ( 2.993 0.789 -11.968) 12.361 8.035 ( -0.383 -0.791 -10.564) 10.600 8.154 ( -2.433 -0.420 -3.476) 4.264 8.174 ( -0.952 -2.103 -5.112) 5.609 8.330 ( 0.749 1.554 -2.128) 2.740 8.413 ( -3.595 0.939 -1.980) 4.211 9.226 ( 7.427 0.367 2.013) 7.704 9.332 ( -1.029 -0.028 -5.116) 5.218 9.387 ( 2.587 1.739 -1.285) 3.371 9.420 ( 1.612 -0.588 6.589) 6.809 9.567 ( -0.331 0.261 -6.566) 6.579 9.594 ( -0.127 -0.553 -6.607) 6.632 9.734 ( 1.049 -0.505 2.020) 2.332 9.846 ( -8.894 -3.935 5.980) 11.417 10.727 ( 7.152 7.062 5.708) 11.558 10.880 ( -7.108 1.231 5.347) 8.980 11.065 ( 6.002 -8.541 4.668) 11.435 11.204 ( -6.515 -5.915 6.104) 10.709 11.419 ( 4.309 3.740 -5.615) 8.005 11.493 ( -0.980 1.896 -3.117) 3.778 11.628 ( 0.476 0.546 -3.327) 3.405 11.684 ( -3.497 -2.755 -1.335) 4.647 12.782 ( 4.902 3.217 -13.692) 14.895 12.857 ( -0.440 2.934 -9.446) 9.901 12.954 ( 3.615 4.032 -8.021) 9.678 13.022 ( -2.234 0.570 -8.628) 8.931 13.355 ( -0.076 -2.643 0.261) 2.657 13.423 ( -6.645 -2.575 -3.276) 7.843 13.658 ( 1.731 0.121 8.263) 8.443 13.715 ( -3.027 0.387 10.260) 10.704 13.858 ( 2.786 0.819 4.890) 5.688 13.919 ( -2.831 -0.358 3.653) 4.635 14.046 ( 1.622 0.278 1.758) 2.408 14.080 ( -0.738 0.315 -0.578) 0.989 14.240 ( 2.428 1.158 -2.124) 3.428 14.285 ( -2.146 -0.571 2.530) 3.366 14.318 ( -4.744 0.265 6.988) 8.450 14.340 ( -5.008 0.466 3.372) 6.055 14.765 ( 3.225 -0.126 6.486) 7.245 14.799 ( 0.081 -0.360 8.520) 8.528 15.103 ( 4.063 5.400 0.001) 6.758 15.157 ( -1.101 4.492 2.221) 5.131 16.900 ( -1.432 -3.916 -3.754) 5.611 16.932 ( -4.408 -5.098 -3.229) 7.472 18.127 ( 2.997 -0.094 0.286) 3.012 18.136 ( 2.066 -0.533 0.483) 2.187 20.364 ( 0.228 0.537 -13.355) 13.368 20.373 ( -0.597 0.073 -13.338) 13.352 20.698 ( 0.445 0.476 -11.243) 11.262 20.708 ( -0.477 -0.191 -11.360) 11.371 25.609 ( 1.710 1.829 4.376) 5.041 25.679 ( -4.561 0.961 6.970) 8.385 25.768 ( 3.810 1.365 5.766) 7.044 25.883 ( -6.648 -2.141 8.308) 10.854 27.071 ( 5.984 0.221 -10.287) 11.902 27.176 ( -3.307 0.102 -8.672) 9.282 27.203 ( 4.538 -0.196 -7.637) 8.886 27.296 ( -3.858 -0.232 -4.429) 5.878 27.858 ( 8.166 2.181 11.226) 14.052 27.934 ( 2.020 -3.014 9.225) 9.913 28.274 ( 2.096 0.374 2.415) 3.219 28.331 ( -3.597 -0.910 5.231) 6.413 28.377 ( -2.225 0.165 5.239) 5.694 28.406 ( -3.881 -2.550 5.702) 7.354 28.751 ( 2.973 0.621 14.549) 14.862 28.793 ( -1.456 -0.651 16.344) 16.421 29.085 ( 13.304 7.744 0.927) 15.422 29.235 ( 5.258 -2.966 0.108) 6.038 29.386 ( -0.512 0.856 1.656) 1.933 29.482 ( -4.324 0.461 5.231) 6.802 29.772 ( 1.966 1.578 -1.354) 2.862 29.836 ( -3.869 -3.681 -3.212) 6.232 31.234 ( -0.212 0.701 -20.963) 20.976 31.304 ( -6.223 -5.970 -19.579) 21.394 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.000 0.000 25.960) 25.960 1.127 ( 0.000 0.000 24.142) 24.142 1.657 ( 0.000 0.000 30.475) 30.475 1.704 ( 0.000 0.000 11.141) 11.141 1.801 ( 0.000 0.000 -6.169) 6.169 2.039 ( 0.000 0.000 -1.294) 1.294 2.076 ( 0.000 0.000 4.065) 4.065 2.325 ( 0.000 0.000 -1.466) 1.466 2.343 ( 0.000 0.000 7.916) 7.916 2.390 ( 0.000 0.000 -5.722) 5.722 2.469 ( 0.000 0.000 4.956) 4.956 2.477 ( 0.000 0.000 8.064) 8.064 2.695 ( 0.000 0.000 -6.058) 6.058 2.706 ( 0.000 0.000 -8.636) 8.636 2.723 ( 0.000 0.000 -2.677) 2.677 2.936 ( 0.000 0.000 1.902) 1.902 3.116 ( 0.000 0.000 -16.612) 16.612 3.117 ( 0.000 0.000 4.962) 4.962 3.459 ( 0.000 0.000 3.866) 3.866 3.473 ( 0.000 0.000 4.402) 4.402 3.700 ( 0.000 0.000 9.660) 9.660 3.738 ( 0.000 0.000 4.513) 4.513 3.832 ( 0.000 0.000 -2.962) 2.962 4.113 ( 0.000 0.000 16.400) 16.400 4.120 ( 0.000 0.000 -1.255) 1.255 4.302 ( 0.000 0.000 55.641) 55.641 4.418 ( 0.000 0.000 63.792) 63.792 4.454 ( 0.000 0.000 63.635) 63.635 4.599 ( 0.000 0.000 53.486) 53.486 4.856 ( 0.000 0.000 2.428) 2.428 4.876 ( 0.000 0.000 -3.259) 3.259 4.998 ( 0.000 0.000 10.947) 10.947 5.153 ( 0.000 0.000 -3.125) 3.125 5.621 ( 0.000 0.000 6.121) 6.121 5.704 ( 0.000 0.000 7.916) 7.916 6.141 ( 0.000 0.000 7.610) 7.610 6.147 ( 0.000 0.000 6.179) 6.179 6.261 ( 0.000 0.000 7.372) 7.372 6.435 ( 0.000 0.000 -11.975) 11.975 6.595 ( 0.000 0.000 14.772) 14.772 6.705 ( 0.000 0.000 -1.454) 1.454 6.722 ( 0.000 0.000 -6.239) 6.239 6.984 ( 0.000 0.000 -6.283) 6.283 7.007 ( 0.000 0.000 -1.516) 1.516 7.229 ( 0.000 0.000 2.663) 2.663 7.835 ( 0.000 0.000 -6.757) 6.757 7.844 ( 0.000 0.000 4.791) 4.791 8.010 ( 0.000 0.000 -9.963) 9.963 8.050 ( 0.000 0.000 -4.513) 4.513 8.198 ( 0.000 0.000 -5.878) 5.878 8.280 ( 0.000 0.000 -7.631) 7.631 8.396 ( 0.000 0.000 -13.424) 13.424 9.013 ( 0.000 0.000 -13.654) 13.654 9.069 ( 0.000 0.000 -8.642) 8.642 9.231 ( 0.000 0.000 6.783) 6.783 9.314 ( 0.000 0.000 -11.978) 11.978 9.385 ( 0.000 0.000 -15.030) 15.030 9.664 ( 0.000 0.000 19.456) 19.456 9.954 ( 0.000 0.000 8.928) 8.928 10.454 ( 0.000 0.000 13.176) 13.176 10.546 ( 0.000 0.000 16.392) 16.392 10.929 ( 0.000 0.000 -5.723) 5.723 11.061 ( 0.000 0.000 -13.032) 13.032 11.263 ( 0.000 0.000 13.699) 13.699 11.317 ( 0.000 0.000 -6.359) 6.359 11.475 ( 0.000 0.000 -2.794) 2.794 11.504 ( 0.000 0.000 -8.459) 8.459 12.080 ( 0.000 0.000 2.083) 2.083 12.379 ( 0.000 0.000 -17.283) 17.283 12.552 ( 0.000 0.000 -11.330) 11.330 12.581 ( 0.000 0.000 -13.210) 13.210 12.905 ( 0.000 0.000 -1.571) 1.571 13.500 ( 0.000 0.000 -16.054) 16.054 13.513 ( 0.000 0.000 4.648) 4.648 13.692 ( 0.000 0.000 5.305) 5.305 13.732 ( 0.000 0.000 -9.043) 9.043 13.744 ( 0.000 0.000 8.858) 8.858 13.830 ( 0.000 0.000 -6.657) 6.657 14.124 ( 0.000 0.000 -4.518) 4.518 14.255 ( 0.000 0.000 -1.031) 1.031 14.255 ( 0.000 0.000 13.029) 13.029 14.516 ( 0.000 0.000 5.124) 5.124 14.580 ( 0.000 0.000 -9.245) 9.245 14.599 ( 0.000 0.000 11.130) 11.130 14.666 ( 0.000 0.000 18.079) 18.079 14.859 ( 0.000 0.000 6.832) 6.832 14.983 ( 0.000 0.000 9.144) 9.144 16.095 ( 0.000 0.000 -2.394) 2.394 17.174 ( 0.000 0.000 -6.617) 6.617 17.193 ( 0.000 0.000 11.414) 11.414 18.038 ( 0.000 0.000 7.902) 7.902 18.127 ( 0.000 0.000 6.705) 6.705 19.872 ( 0.000 0.000 -30.544) 30.544 19.982 ( 0.000 0.000 -22.459) 22.459 20.337 ( 0.000 0.000 -24.532) 24.532 20.369 ( 0.000 0.000 -18.193) 18.193 25.456 ( 0.000 0.000 6.296) 6.296 25.674 ( 0.000 0.000 9.460) 9.460 26.164 ( 0.000 0.000 15.927) 15.927 26.352 ( 0.000 0.000 7.077) 7.077 26.563 ( 0.000 0.000 -13.728) 13.728 26.670 ( 0.000 0.000 -11.855) 11.855 27.080 ( 0.000 0.000 -8.293) 8.293 27.776 ( 0.000 0.000 5.639) 5.639 27.905 ( 0.000 0.000 12.160) 12.160 28.091 ( 0.000 0.000 -9.797) 9.797 28.096 ( 0.000 0.000 -0.855) 0.855 28.428 ( 0.000 0.000 1.062) 1.062 28.498 ( 0.000 0.000 3.320) 3.320 28.722 ( 0.000 0.000 9.317) 9.317 28.807 ( 0.000 0.000 13.777) 13.777 28.850 ( 0.000 0.000 10.730) 10.730 29.122 ( 0.000 0.000 13.225) 13.225 29.313 ( 0.000 0.000 -5.849) 5.849 29.479 ( 0.000 0.000 5.516) 5.516 29.590 ( 0.000 0.000 3.643) 3.643 29.753 ( 0.000 0.000 9.440) 9.440 29.826 ( 0.000 0.000 -12.023) 12.023 30.480 ( 0.000 0.000 1.105) 1.105 31.297 ( 0.000 0.000 -26.365) 26.365 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 11.421 0.000 17.775) 21.128 1.248 ( 10.645 0.000 19.406) 22.134 1.715 ( 1.775 0.000 10.341) 10.492 1.820 ( 1.112 0.000 -4.375) 4.514 1.878 ( 12.535 0.000 16.953) 21.084 2.018 ( -0.718 0.000 -0.164) 0.736 2.107 ( 5.441 0.000 13.280) 14.351 2.239 ( -6.005 0.000 -5.314) 8.019 2.302 ( -1.576 0.000 7.221) 7.390 2.342 ( -6.394 0.000 1.343) 6.533 2.462 ( -7.305 0.000 -6.938) 10.075 2.479 ( 0.914 0.000 3.017) 3.152 2.621 ( 6.538 0.000 4.698) 8.051 2.655 ( -3.501 0.000 -5.454) 6.481 2.845 ( 3.831 0.000 -0.748) 3.904 2.997 ( 4.425 0.000 2.303) 4.988 3.084 ( -1.941 0.000 -5.991) 6.298 3.153 ( 2.031 0.000 -3.551) 4.091 3.407 ( -6.480 0.000 7.359) 9.805 3.488 ( -0.615 0.000 2.267) 2.349 3.632 ( 0.093 0.000 5.807) 5.807 3.816 ( -0.044 0.000 0.266) 0.270 3.862 ( 5.181 0.000 0.662) 5.223 3.985 ( -3.297 0.000 8.010) 8.662 4.252 ( 4.988 0.000 7.120) 8.693 4.296 ( -1.885 0.000 48.450) 48.487 4.435 ( 1.331 0.000 62.512) 62.526 4.460 ( -0.049 0.000 59.855) 59.855 4.557 ( -4.366 0.000 45.907) 46.114 4.726 ( -8.140 0.000 21.304) 22.806 4.847 ( -2.573 0.000 0.755) 2.682 4.950 ( -4.095 0.000 6.265) 7.484 5.276 ( 10.423 0.000 -0.704) 10.447 5.672 ( 5.990 0.000 4.693) 7.610 5.817 ( 5.368 0.000 4.251) 6.848 6.104 ( 2.603 0.000 -2.397) 3.539 6.236 ( 2.703 0.000 10.954) 11.283 6.299 ( 1.789 0.000 10.952) 11.097 6.504 ( 5.587 0.000 -9.488) 11.011 6.597 ( 1.286 0.000 9.476) 9.563 6.685 ( -2.528 0.000 -5.981) 6.493 6.698 ( -1.355 0.000 2.554) 2.891 7.032 ( 5.441 0.000 -5.360) 7.638 7.045 ( 4.317 0.000 -3.301) 5.435 7.308 ( 5.122 0.000 3.474) 6.189 7.726 ( -11.902 0.000 8.379) 14.556 7.822 ( -1.375 0.000 -7.778) 7.899 7.954 ( -2.627 0.000 -11.388) 11.687 8.028 ( -1.659 0.000 -7.487) 7.669 8.109 ( -8.433 0.000 -5.848) 10.262 8.229 ( -4.811 0.000 -9.516) 10.663 8.320 ( -4.675 0.000 -12.650) 13.487 9.046 ( 2.391 0.000 -13.012) 13.229 9.120 ( 2.629 0.000 -10.941) 11.253 9.260 ( 3.043 0.000 7.137) 7.759 9.310 ( 1.040 0.000 -12.154) 12.199 9.402 ( 0.946 0.000 -13.767) 13.800 9.749 ( 4.786 0.000 18.543) 19.151 9.825 ( -7.546 0.000 8.698) 11.516 10.398 ( -6.744 0.000 11.577) 13.398 10.644 ( 9.059 0.000 17.167) 19.410 10.967 ( 3.470 0.000 -6.208) 7.112 11.105 ( 4.192 0.000 -11.482) 12.223 11.203 ( -5.162 0.000 13.730) 14.669 11.348 ( -7.474 0.000 -6.065) 9.626 11.398 ( 7.062 0.000 -5.878) 9.188 11.533 ( -1.637 0.000 -6.332) 6.540 12.011 ( -6.559 0.000 1.081) 6.647 12.374 ( -0.175 0.000 -16.883) 16.884 12.518 ( -4.788 0.000 -12.860) 13.723 12.610 ( 5.178 0.000 -10.864) 12.035 12.932 ( 1.112 0.000 -3.157) 3.347 13.433 ( -4.699 0.000 0.631) 4.741 13.518 ( 2.028 0.000 -13.224) 13.379 13.661 ( -4.906 0.000 3.704) 6.147 13.680 ( -0.972 0.000 -2.624) 2.799 13.849 ( 5.886 0.000 2.220) 6.291 13.944 ( 9.767 0.000 -0.459) 9.778 14.106 ( -1.067 0.000 -1.881) 2.162 14.188 ( -1.270 0.000 8.623) 8.716 14.386 ( 5.278 0.000 2.188) 5.713 14.487 ( -3.531 0.000 1.393) 3.796 14.517 ( -2.768 0.000 -0.886) 2.907 14.588 ( 0.339 0.000 17.921) 17.924 14.698 ( 1.039 0.000 7.253) 7.327 14.877 ( 1.273 0.000 5.891) 6.027 14.987 ( 0.199 0.000 8.284) 8.286 15.718 ( -29.840 0.000 20.596) 36.257 17.046 ( -5.929 0.000 2.131) 6.301 17.155 ( -5.074 0.000 -3.311) 6.058 18.109 ( 4.957 0.000 6.548) 8.213 18.166 ( 3.002 0.000 6.109) 6.806 19.880 ( 0.848 0.000 -30.049) 30.061 19.974 ( -0.870 0.000 -23.466) 23.483 20.332 ( -0.127 0.000 -23.375) 23.376 20.370 ( -0.119 0.000 -18.989) 18.989 25.500 ( 4.230 0.000 7.086) 8.253 25.737 ( 5.779 0.000 9.116) 10.793 26.051 ( -9.064 0.000 13.085) 15.918 26.308 ( -5.203 0.000 9.692) 11.000 26.642 ( 7.525 0.000 -12.931) 14.961 26.772 ( 7.480 0.000 -14.434) 16.257 27.066 ( -1.313 0.000 -8.736) 8.834 27.534 ( -17.206 0.000 -2.083) 17.331 27.891 ( 4.939 0.000 9.165) 10.411 28.150 ( 5.883 0.000 -0.655) 5.920 28.250 ( 4.541 0.000 7.564) 8.822 28.447 ( -3.094 0.000 4.220) 5.233 28.564 ( 11.380 0.000 1.524) 11.482 28.655 ( -4.231 0.000 12.439) 13.139 28.775 ( -6.849 0.000 8.854) 11.194 29.009 ( 11.053 0.000 14.575) 18.292 29.233 ( 8.811 0.000 8.919) 12.537 29.258 ( -5.419 0.000 -3.999) 6.734 29.498 ( 1.816 0.000 6.548) 6.795 29.611 ( 1.559 0.000 3.327) 3.674 29.728 ( -2.054 0.000 6.320) 6.646 29.810 ( -1.595 0.000 -10.056) 10.182 30.502 ( 4.172 0.000 -9.541) 10.413 31.222 ( -7.246 0.000 -27.289) 28.234 ======================= Grid point 52 (21/45) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 12.820 0.000 11.350) 17.122 1.536 ( 15.848 0.000 9.611) 18.534 1.713 ( -5.445 0.000 9.950) 11.342 1.830 ( -11.031 0.000 4.908) 12.073 1.884 ( 7.281 0.000 -1.798) 7.499 2.056 ( 2.666 0.000 0.422) 2.699 2.071 ( -9.475 0.000 -6.183) 11.314 2.125 ( -3.964 0.000 5.452) 6.740 2.244 ( -1.468 0.000 -0.905) 1.724 2.298 ( -6.595 0.000 -1.548) 6.774 2.509 ( 2.325 0.000 -0.916) 2.499 2.571 ( -2.757 0.000 -2.087) 3.458 2.621 ( 23.690 0.000 16.588) 28.920 2.802 ( 8.002 0.000 3.047) 8.562 2.887 ( -0.258 0.000 1.615) 1.635 2.995 ( -9.091 0.000 4.910) 10.332 3.086 ( 4.791 0.000 6.557) 8.120 3.205 ( 3.598 0.000 -5.658) 6.705 3.231 ( -8.929 0.000 8.854) 12.575 3.353 ( -10.645 0.000 -3.197) 11.115 3.690 ( 4.537 0.000 2.825) 5.345 3.803 ( -6.050 0.000 1.037) 6.138 3.918 ( 9.733 0.000 3.660) 10.398 4.113 ( 10.074 0.000 4.117) 10.882 4.154 ( -11.338 0.000 14.868) 18.698 4.274 ( -3.823 0.000 5.228) 6.477 4.439 ( -0.535 0.000 52.383) 52.386 4.445 ( -0.898 0.000 58.254) 58.261 4.523 ( 2.632 0.000 59.300) 59.359 4.604 ( -4.614 0.000 53.208) 53.408 4.807 ( 0.051 0.000 3.896) 3.896 4.858 ( -4.157 0.000 2.720) 4.968 5.530 ( 12.665 0.000 0.951) 12.701 5.730 ( -4.735 0.000 0.423) 4.754 5.930 ( 8.943 0.000 4.740) 10.121 6.112 ( -6.714 0.000 1.147) 6.811 6.278 ( 6.002 0.000 9.095) 10.896 6.355 ( 0.529 0.000 7.948) 7.965 6.606 ( 3.433 0.000 -6.920) 7.724 6.624 ( 0.859 0.000 3.347) 3.455 6.649 ( -1.222 0.000 -5.971) 6.095 6.652 ( -2.225 0.000 5.186) 5.643 7.190 ( 9.173 0.000 1.052) 9.234 7.204 ( 10.111 0.000 -1.671) 10.248 7.358 ( -2.165 0.000 4.013) 4.560 7.429 ( -14.207 0.000 6.863) 15.778 7.766 ( -1.132 0.000 -8.495) 8.570 7.878 ( -10.319 0.000 -7.329) 12.657 7.964 ( 3.996 0.000 -11.185) 11.878 8.092 ( 6.230 0.000 -11.523) 13.100 8.096 ( -7.482 0.000 -11.868) 14.030 8.225 ( -5.474 0.000 -12.476) 13.624 9.093 ( 2.005 0.000 -12.940) 13.095 9.127 ( -1.214 0.000 -12.696) 12.754 9.367 ( 3.149 0.000 -11.949) 12.357 9.367 ( 7.519 0.000 7.901) 10.907 9.407 ( -0.673 0.000 -12.613) 12.631 9.565 ( -11.254 0.000 9.259) 14.573 9.976 ( 11.160 0.000 14.696) 18.454 10.208 ( -10.826 0.000 12.856) 16.807 10.854 ( 10.463 0.000 15.435) 18.648 11.057 ( -8.793 0.000 13.817) 16.378 11.060 ( 5.288 0.000 -7.015) 8.785 11.175 ( -4.233 0.000 -6.358) 7.638 11.259 ( 5.679 0.000 -9.376) 10.962 11.427 ( -7.917 0.000 -7.255) 10.739 11.590 ( 11.000 0.000 -3.738) 11.617 11.824 ( -10.900 0.000 -1.140) 10.959 12.383 ( 1.148 0.000 -15.864) 15.906 12.428 ( -3.379 0.000 -14.143) 14.541 12.747 ( 7.569 0.000 -9.231) 11.937 12.892 ( -5.328 0.000 -6.811) 8.648 13.412 ( 3.276 0.000 2.054) 3.867 13.531 ( -7.020 0.000 3.651) 7.913 13.581 ( 3.634 0.000 -9.999) 10.639 13.647 ( -2.398 0.000 -7.388) 7.767 13.957 ( 4.771 0.000 5.714) 7.444 14.052 ( -4.167 0.000 4.858) 6.400 14.178 ( 11.480 0.000 0.987) 11.522 14.233 ( 5.074 0.000 4.397) 6.714 14.351 ( -5.570 0.000 3.823) 6.756 14.373 ( -7.251 0.000 0.509) 7.269 14.587 ( 5.959 0.000 -0.995) 6.042 14.651 ( 6.456 0.000 22.401) 23.312 14.681 ( -2.777 0.000 1.578) 3.194 14.838 ( -7.698 0.000 10.163) 12.749 15.014 ( 3.527 0.000 12.439) 12.929 15.185 ( -16.509 0.000 28.842) 33.233 16.986 ( 0.094 0.000 -2.179) 2.181 17.041 ( -4.816 0.000 -3.822) 6.148 18.194 ( 2.801 0.000 5.345) 6.034 18.214 ( 0.986 0.000 5.306) 5.397 19.907 ( 1.698 0.000 -28.507) 28.558 19.945 ( -1.793 0.000 -25.994) 26.056 20.339 ( 0.814 0.000 -21.601) 21.616 20.359 ( -0.885 0.000 -20.021) 20.040 25.628 ( 7.951 0.000 8.467) 11.615 25.808 ( -7.235 0.000 8.864) 11.442 25.938 ( 6.849 0.000 11.145) 13.081 26.141 ( -10.109 0.000 10.588) 14.639 26.834 ( 9.133 0.000 -11.859) 14.968 26.904 ( 3.739 0.000 -14.784) 15.250 27.043 ( 0.891 0.000 -9.400) 9.442 27.214 ( -13.440 0.000 -7.503) 15.393 28.037 ( 8.452 0.000 9.427) 12.662 28.208 ( -7.070 0.000 9.690) 11.995 28.336 ( 11.281 0.000 1.604) 11.394 28.458 ( 3.878 0.000 8.729) 9.552 28.556 ( -5.111 0.000 11.526) 12.608 28.576 ( -11.105 0.000 5.308) 12.309 28.839 ( 13.363 0.000 0.885) 13.392 29.092 ( -10.486 0.000 -1.068) 10.540 29.194 ( 7.694 0.000 20.664) 22.050 29.313 ( -2.396 0.000 17.836) 17.996 29.550 ( 3.105 0.000 7.955) 8.539 29.613 ( -2.230 0.000 8.524) 8.811 29.713 ( 1.573 0.000 -3.597) 3.926 29.764 ( -2.672 0.000 -7.161) 7.643 30.705 ( 14.283 0.000 -26.779) 30.350 31.006 ( -13.300 0.000 -29.220) 32.104 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 -16.687 26.127) 31.001 1.248 ( 0.000 11.780 22.045) 24.995 1.692 ( 0.000 1.298 9.420) 9.509 1.698 ( 0.000 -9.632 -7.483) 12.198 1.893 ( 0.000 5.252 12.302) 13.376 2.030 ( 0.000 -7.878 -1.014) 7.943 2.039 ( 0.000 2.652 1.736) 3.170 2.247 ( 0.000 -4.801 -1.361) 4.990 2.324 ( 0.000 -1.608 2.833) 3.257 2.373 ( 0.000 -1.245 -3.619) 3.827 2.402 ( 0.000 -5.335 0.889) 5.409 2.595 ( 0.000 9.559 9.400) 13.407 2.645 ( 0.000 -7.219 -1.515) 7.376 2.673 ( 0.000 -3.583 -1.471) 3.873 2.734 ( 0.000 8.186 1.465) 8.316 2.929 ( 0.000 8.637 -1.693) 8.801 2.970 ( 0.000 -8.592 4.107) 9.523 3.383 ( 0.000 -8.559 3.107) 9.105 3.412 ( 0.000 13.990 -2.309) 14.179 3.634 ( 0.000 9.491 2.147) 9.731 3.743 ( 0.000 6.037 1.461) 6.211 3.768 ( 0.000 3.428 -1.911) 3.925 3.877 ( 0.000 2.059 3.993) 4.492 4.092 ( 0.000 -2.308 0.588) 2.382 4.114 ( 0.000 0.232 14.812) 14.814 4.284 ( 0.000 -2.253 50.141) 50.191 4.403 ( 0.000 -0.819 56.246) 56.252 4.463 ( 0.000 0.882 62.919) 62.925 4.590 ( 0.000 -0.894 52.442) 52.449 4.737 ( 0.000 -9.432 8.650) 12.798 4.790 ( 0.000 -4.781 4.848) 6.809 4.969 ( 0.000 -3.395 9.536) 10.123 5.223 ( 0.000 5.310 -3.550) 6.387 5.601 ( 0.000 -2.245 3.815) 4.427 5.739 ( 0.000 3.258 7.095) 7.807 6.093 ( 0.000 -3.131 8.490) 9.049 6.111 ( 0.000 -3.335 5.391) 6.340 6.188 ( 0.000 -6.493 7.289) 9.762 6.458 ( 0.000 0.988 -1.832) 2.081 6.564 ( 0.000 -6.341 1.566) 6.532 6.636 ( 0.000 4.425 6.856) 8.161 6.799 ( 0.000 3.650 -2.759) 4.576 7.016 ( 0.000 3.733 -6.908) 7.852 7.150 ( 0.000 8.829 -4.855) 10.076 7.268 ( 0.000 2.554 -1.458) 2.941 7.652 ( 0.000 -10.745 -6.180) 12.396 7.888 ( 0.000 2.590 -4.660) 5.331 8.063 ( 0.000 1.121 -4.333) 4.476 8.096 ( 0.000 2.742 -4.550) 5.312 8.213 ( 0.000 -5.161 -7.475) 9.083 8.269 ( 0.000 6.031 -5.988) 8.499 8.415 ( 0.000 0.812 -12.007) 12.035 9.035 ( 0.000 1.794 -11.181) 11.324 9.075 ( 0.000 0.433 -9.515) 9.525 9.244 ( 0.000 1.452 8.208) 8.335 9.311 ( 0.000 -0.067 -10.041) 10.042 9.399 ( 0.000 1.238 -14.600) 14.652 9.652 ( 0.000 -2.180 17.465) 17.601 9.979 ( 0.000 2.731 8.926) 9.335 10.385 ( 0.000 -5.763 11.054) 12.466 10.571 ( 0.000 3.443 16.061) 16.425 10.986 ( 0.000 4.291 -5.205) 6.745 11.046 ( 0.000 -2.011 -10.808) 10.994 11.266 ( 0.000 -4.515 -3.811) 5.908 11.297 ( 0.000 3.320 11.189) 11.671 11.515 ( 0.000 3.866 -1.986) 4.346 11.520 ( 0.000 0.587 -6.818) 6.843 11.965 ( 0.000 -8.733 1.061) 8.797 12.402 ( 0.000 1.635 -15.998) 16.081 12.535 ( 0.000 -1.654 -11.910) 12.025 12.651 ( 0.000 5.402 -14.009) 15.014 12.902 ( 0.000 -0.688 -4.808) 4.857 13.495 ( 0.000 -1.620 2.551) 3.022 13.511 ( 0.000 0.958 -12.730) 12.766 13.639 ( 0.000 -1.532 3.839) 4.133 13.665 ( 0.000 -4.392 -9.261) 10.250 13.846 ( 0.000 6.251 4.988) 7.997 13.886 ( 0.000 3.609 -6.673) 7.586 14.133 ( 0.000 0.715 -3.579) 3.649 14.217 ( 0.000 -3.468 12.449) 12.923 14.246 ( 0.000 -0.798 3.682) 3.768 14.406 ( 0.000 -7.883 15.115) 17.047 14.538 ( 0.000 -0.854 -0.231) 0.884 14.544 ( 0.000 -2.601 -7.234) 7.687 14.838 ( 0.000 8.628 17.400) 19.422 14.914 ( 0.000 4.447 5.573) 7.130 15.016 ( 0.000 3.098 9.530) 10.021 15.818 ( 0.000 -21.620 6.089) 22.461 17.134 ( 0.000 -2.506 -3.400) 4.224 17.171 ( 0.000 -1.908 10.390) 10.564 18.015 ( 0.000 -1.040 7.600) 7.671 18.106 ( 0.000 -1.842 6.592) 6.844 19.925 ( 0.000 3.576 -30.177) 30.388 19.987 ( 0.000 0.412 -23.040) 23.043 20.345 ( 0.000 0.697 -23.785) 23.795 20.368 ( 0.000 -0.018 -18.751) 18.751 25.580 ( 0.000 9.311 2.190) 9.565 25.694 ( 0.000 1.793 8.943) 9.121 26.131 ( 0.000 -2.445 13.772) 13.987 26.299 ( 0.000 -4.551 5.297) 6.983 26.590 ( 0.000 2.237 -11.831) 12.041 26.679 ( 0.000 0.429 -10.264) 10.273 27.136 ( 0.000 5.281 -7.124) 8.868 27.748 ( 0.000 -4.136 2.671) 4.924 27.890 ( 0.000 -1.362 11.696) 11.775 27.923 ( 0.000 -11.161 -1.449) 11.255 28.150 ( 0.000 4.711 -1.580) 4.969 28.420 ( 0.000 -0.936 0.269) 0.974 28.514 ( 0.000 2.145 4.950) 5.394 28.729 ( 0.000 0.449 9.389) 9.400 28.798 ( 0.000 -0.782 13.276) 13.299 28.800 ( 0.000 -4.131 10.254) 11.054 29.128 ( 0.000 0.527 14.345) 14.355 29.340 ( 0.000 -4.141 9.136) 10.031 29.432 ( 0.000 3.196 2.587) 4.112 29.601 ( 0.000 0.678 4.089) 4.145 29.769 ( 0.000 1.762 9.839) 9.996 29.837 ( 0.000 0.839 -10.070) 10.105 30.633 ( 0.000 10.558 -15.301) 18.590 31.217 ( 0.000 -7.256 -26.260) 27.244 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 14.586 -14.986 21.836) 30.235 1.350 ( 9.446 7.753 15.110) 19.433 1.676 ( 0.908 -4.577 0.177) 4.670 1.734 ( 0.013 -4.083 2.554) 4.816 1.917 ( -1.073 -6.089 -1.353) 6.330 2.036 ( 0.266 -0.460 -1.345) 1.446 2.097 ( 3.541 -1.692 11.336) 11.997 2.179 ( -9.495 -5.165 -5.000) 11.909 2.281 ( 3.327 1.069 2.987) 4.597 2.333 ( -0.897 -2.158 -1.214) 2.633 2.424 ( 0.962 0.627 1.684) 2.038 2.580 ( -0.921 8.285 5.266) 9.860 2.601 ( -3.694 -3.000 2.430) 5.344 2.710 ( 1.735 -3.202 0.728) 3.714 2.792 ( 5.614 -1.037 1.563) 5.920 2.927 ( 0.114 7.124 -1.046) 7.201 2.997 ( 1.673 -4.246 3.718) 5.887 3.285 ( -6.166 -2.973 1.124) 6.937 3.459 ( 0.535 7.608 -0.575) 7.649 3.606 ( -3.100 10.596 0.637) 11.059 3.703 ( 2.542 5.000 7.423) 9.304 3.854 ( -0.053 2.018 2.949) 3.574 3.920 ( 7.173 5.280 -1.062) 8.970 4.000 ( -3.727 1.455 5.902) 7.131 4.196 ( 2.402 -3.349 17.385) 17.867 4.298 ( 1.102 -1.496 34.868) 34.917 4.419 ( 1.362 -1.212 51.988) 52.020 4.465 ( -0.223 0.761 62.063) 62.068 4.543 ( -4.369 -1.317 42.404) 42.649 4.657 ( -2.919 -4.118 30.573) 30.987 4.868 ( 1.507 -2.186 2.014) 3.333 4.915 ( -4.877 -1.628 8.052) 9.554 5.269 ( 6.296 1.052 -0.930) 6.451 5.667 ( 6.015 -0.568 3.749) 7.111 5.798 ( 3.099 -2.008 4.126) 5.537 6.051 ( 1.504 -4.093 0.183) 4.365 6.168 ( 2.452 -5.466 8.026) 10.015 6.221 ( -0.247 -4.718 9.909) 10.978 6.507 ( -1.095 -6.588 5.336) 8.549 6.582 ( 6.789 1.974 2.670) 7.557 6.659 ( 2.297 3.544 -1.907) 4.634 6.785 ( -0.608 5.156 -2.829) 5.912 7.033 ( 0.625 0.054 -0.921) 1.114 7.166 ( 3.293 8.325 -6.801) 11.242 7.318 ( 2.784 0.721 0.603) 2.938 7.614 ( -4.137 -7.315 -2.058) 8.652 7.848 ( -2.705 1.048 -7.887) 8.403 7.986 ( -3.826 1.158 -5.869) 7.102 8.072 ( -5.600 3.486 -2.741) 7.143 8.129 ( -6.401 0.600 -8.595) 10.733 8.229 ( -3.687 1.599 -7.751) 8.731 8.328 ( -5.506 0.368 -12.558) 13.717 9.079 ( 2.851 2.513 -12.162) 12.742 9.116 ( 2.812 -0.323 -9.938) 10.333 9.268 ( 2.219 1.311 6.101) 6.623 9.329 ( 2.252 1.216 -10.270) 10.584 9.404 ( 0.546 0.462 -12.245) 12.266 9.718 ( 4.395 -3.113 17.394) 18.209 9.855 ( -8.361 2.973 8.436) 12.244 10.323 ( -6.604 -6.543 10.357) 13.918 10.663 ( 8.129 2.842 16.071) 18.233 11.018 ( 2.963 3.623 -5.190) 6.989 11.094 ( 4.409 -1.438 -8.607) 9.777 11.214 ( -5.924 1.090 7.936) 9.963 11.334 ( 3.387 -3.512 -2.268) 5.381 11.427 ( -2.970 4.814 -2.326) 6.116 11.552 ( -1.339 1.263 -6.329) 6.591 11.913 ( -5.090 -7.702 0.435) 9.242 12.396 ( -0.068 1.274 -15.692) 15.743 12.579 ( -5.570 5.275 -14.258) 16.190 12.599 ( 5.518 -0.992 -11.766) 13.033 12.916 ( 0.453 -1.739 -6.459) 6.704 13.408 ( -5.203 -1.702 -2.788) 6.144 13.541 ( -3.134 -4.096 -2.461) 5.714 13.564 ( 2.038 2.136 -7.753) 8.296 13.792 ( -2.914 4.921 1.054) 5.815 13.829 ( 9.287 -1.619 -0.816) 9.462 13.968 ( 5.203 2.337 0.825) 5.763 14.117 ( -0.425 0.746 -1.338) 1.590 14.191 ( -0.437 0.175 10.549) 10.560 14.335 ( 5.017 -5.178 3.059) 7.833 14.402 ( -0.563 -7.020 16.080) 17.555 14.478 ( -4.103 -2.247 -2.573) 5.339 14.512 ( -3.852 -1.407 -1.279) 4.295 14.852 ( 1.771 6.915 13.988) 15.705 14.929 ( 0.921 5.602 4.697) 7.369 15.032 ( 1.221 3.583 8.985) 9.750 15.581 ( -19.212 -11.154 17.512) 28.288 17.026 ( -6.640 -1.619 3.299) 7.589 17.105 ( -5.637 -3.635 0.251) 6.712 18.092 ( 5.415 -1.053 6.247) 8.334 18.149 ( 3.284 -1.452 5.947) 6.947 19.919 ( -0.215 2.650 -29.241) 29.361 19.982 ( -0.703 0.753 -23.896) 23.918 20.337 ( -0.169 0.420 -22.787) 22.791 20.375 ( 0.118 0.434 -19.652) 19.657 25.586 ( 1.687 6.702 4.995) 8.527 25.756 ( 5.394 1.886 8.365) 10.131 26.027 ( -7.923 -1.971 12.130) 14.622 26.271 ( -4.312 -3.184 9.187) 10.636 26.663 ( 6.798 1.772 -12.236) 14.110 26.769 ( 7.138 -0.367 -13.694) 15.447 27.104 ( -2.760 3.508 -7.864) 9.042 27.482 ( -15.851 -4.748 -2.798) 16.782 27.897 ( 5.972 0.758 9.394) 11.157 28.158 ( 7.225 -6.690 7.955) 12.659 28.184 ( 5.097 2.500 0.015) 5.677 28.476 ( -2.967 2.563 4.995) 6.350 28.599 ( 13.209 2.683 1.303) 13.541 28.641 ( -4.650 -0.726 11.877) 12.775 28.734 ( -5.558 -3.681 9.388) 11.514 29.007 ( 11.962 -0.467 11.134) 16.349 29.196 ( 6.658 -2.595 9.205) 11.653 29.292 ( -4.699 -0.778 7.700) 9.054 29.433 ( 0.939 -1.163 6.530) 6.699 29.624 ( 1.612 1.050 4.581) 4.968 29.740 ( -2.351 1.198 5.201) 5.832 29.819 ( -1.734 1.101 -6.741) 7.047 30.615 ( -0.108 8.115 -18.840) 20.514 31.141 ( -7.179 -7.237 -26.990) 28.851 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 17.452 -11.259 15.027) 25.635 1.570 ( 5.886 -2.557 7.438) 9.824 1.657 ( -4.946 -3.352 6.523) 8.846 1.717 ( 1.126 -6.717 -0.329) 6.819 1.869 ( -1.129 -4.571 -2.766) 5.461 1.973 ( -8.577 -4.939 -6.153) 11.654 2.053 ( 0.843 -0.776 1.550) 1.928 2.078 ( -2.286 -2.624 4.212) 5.464 2.252 ( 0.233 0.996 -0.984) 1.419 2.339 ( -6.405 1.581 1.219) 6.708 2.480 ( 2.166 -3.219 0.990) 4.005 2.524 ( -2.780 -4.383 0.380) 5.204 2.730 ( 15.250 3.849 6.248) 16.923 2.787 ( 5.974 -2.149 -1.070) 6.438 2.852 ( -1.085 -2.838 2.558) 3.972 2.955 ( 1.470 2.756 -0.766) 3.216 3.009 ( -0.390 0.847 6.136) 6.206 3.120 ( -9.935 -4.239 -0.580) 10.817 3.452 ( 1.260 12.594 6.618) 14.283 3.535 ( -5.261 11.102 6.371) 13.839 3.764 ( 3.515 5.427 4.611) 7.942 3.849 ( -3.479 2.846 1.113) 4.630 3.966 ( 6.629 4.184 7.844) 11.090 4.127 ( 1.352 0.455 9.354) 9.462 4.154 ( 1.674 1.757 8.857) 9.183 4.297 ( -3.322 0.880 6.809) 7.627 4.434 ( -0.102 -0.320 46.229) 46.230 4.443 ( -1.300 -0.212 50.213) 50.230 4.514 ( 2.516 -0.736 61.014) 61.070 4.590 ( -3.933 -1.264 52.890) 53.051 4.822 ( -2.141 0.494 4.861) 5.334 4.841 ( -2.735 -0.667 2.283) 3.624 5.486 ( 12.636 -3.005 1.178) 13.042 5.696 ( -5.745 -2.367 1.116) 6.313 5.920 ( 9.347 -1.953 4.228) 10.443 6.079 ( -3.367 -3.347 -1.903) 5.115 6.168 ( -0.469 -6.239 12.796) 14.244 6.196 ( -0.650 -10.384 5.057) 11.569 6.536 ( 3.348 -4.984 4.709) 7.631 6.603 ( -2.513 -3.056 6.543) 7.646 6.761 ( 3.781 7.918 -7.733) 11.695 6.797 ( 0.686 8.990 -3.930) 9.835 7.084 ( 5.319 -5.966 3.992) 8.934 7.206 ( -3.534 -2.245 3.442) 5.420 7.372 ( 5.747 2.965 2.416) 6.903 7.529 ( -4.603 5.838 0.959) 7.496 7.770 ( -2.824 0.463 -8.706) 9.165 7.850 ( -6.774 -1.686 -6.986) 9.876 8.015 ( -1.682 3.239 -8.987) 9.699 8.075 ( -0.864 -0.992 -9.723) 9.811 8.119 ( 0.430 1.922 -12.108) 12.267 8.236 ( -5.184 0.939 -12.566) 13.626 9.126 ( 1.580 2.463 -12.390) 12.731 9.144 ( -0.063 1.119 -12.044) 12.096 9.340 ( 4.357 0.283 -2.252) 4.913 9.393 ( 0.597 -0.366 -10.749) 10.772 9.425 ( 4.188 2.693 -1.592) 5.227 9.591 ( -10.430 2.382 9.825) 14.525 9.926 ( 9.673 -4.510 13.015) 16.831 10.139 ( -10.301 -6.197 11.566) 16.682 10.854 ( 9.573 0.903 13.891) 16.894 11.036 ( -6.998 -0.382 10.316) 12.472 11.120 ( 3.908 3.447 -5.211) 7.369 11.206 ( 1.040 1.243 -5.174) 5.422 11.295 ( 0.708 3.563 -5.185) 6.331 11.431 ( -6.477 0.191 -4.438) 7.854 11.560 ( 8.581 -2.179 -3.988) 9.710 11.760 ( -9.281 -5.354 -0.875) 10.750 12.412 ( 1.700 2.247 -15.943) 16.190 12.471 ( -4.207 4.172 -15.636) 16.720 12.739 ( 7.510 -0.852 -10.907) 13.270 12.877 ( -4.828 -1.595 -9.274) 10.576 13.356 ( 1.381 -3.781 -2.098) 4.539 13.443 ( -5.618 -5.462 -1.345) 7.950 13.643 ( 4.528 4.486 -4.595) 7.858 13.727 ( -3.440 5.005 -1.819) 6.339 13.984 ( 4.908 2.057 4.035) 6.679 14.054 ( -0.936 0.019 5.276) 5.359 14.146 ( 7.032 -1.920 -1.480) 7.438 14.232 ( 3.057 -0.808 4.278) 5.320 14.344 ( -4.695 -1.161 5.730) 7.499 14.377 ( -4.366 -2.257 5.963) 7.728 14.415 ( 0.908 -6.934 7.265) 10.084 14.443 ( -1.365 -8.997 6.837) 11.382 14.902 ( 2.561 7.724 9.059) 12.177 14.937 ( -0.479 6.276 4.169) 7.549 15.067 ( 2.891 4.678 12.011) 13.210 15.215 ( -13.008 2.494 22.476) 26.088 16.945 ( -0.797 -3.352 0.397) 3.468 16.989 ( -4.588 -4.182 -1.011) 6.290 18.183 ( 2.898 -0.868 5.079) 5.911 18.202 ( 1.127 -1.002 5.098) 5.316 19.927 ( 1.044 1.494 -27.763) 27.823 19.957 ( -1.577 0.954 -25.784) 25.850 20.346 ( 0.920 0.562 -21.624) 21.650 20.367 ( -0.849 0.646 -20.400) 20.428 25.668 ( 6.061 3.309 7.738) 10.372 25.814 ( -6.248 0.591 8.445) 10.521 25.941 ( 6.395 0.208 11.059) 12.776 26.123 ( -9.094 -1.576 10.643) 14.087 26.837 ( 8.493 0.248 -11.835) 14.569 26.906 ( 4.181 0.134 -14.704) 15.287 27.049 ( -0.625 0.632 -8.974) 9.018 27.193 ( -12.023 -1.812 -7.868) 14.482 28.053 ( 8.240 1.476 9.745) 12.847 28.195 ( -3.945 -1.253 10.093) 10.909 28.341 ( 9.301 0.377 3.688) 10.012 28.455 ( 1.908 -0.019 7.268) 7.514 28.534 ( -5.833 -1.053 10.349) 11.926 28.576 ( -7.962 -0.990 6.701) 10.453 28.887 ( 13.363 4.494 1.617) 14.191 29.122 ( -7.754 2.181 2.652) 8.480 29.203 ( 4.780 0.692 18.719) 19.332 29.292 ( -1.213 -1.362 15.181) 15.290 29.511 ( 6.041 -3.892 5.204) 8.872 29.615 ( -3.439 -0.195 7.349) 8.116 29.722 ( 1.505 0.880 -2.518) 3.063 29.770 ( -2.672 1.123 -3.389) 4.460 30.703 ( 9.035 -0.067 -26.687) 28.175 30.937 ( -11.859 -5.954 -28.460) 31.401 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 18.415 -0.798) 18.432 1.329 ( 0.000 -25.122 -13.796) 28.661 1.536 ( 0.000 12.932 13.534) 18.719 1.689 ( 0.000 -2.092 8.605) 8.856 1.871 ( 0.000 -2.663 0.559) 2.721 1.891 ( 0.000 -1.727 -1.794) 2.490 2.087 ( 0.000 -0.470 3.906) 3.934 2.128 ( 0.000 -5.585 -4.445) 7.138 2.286 ( 0.000 -0.576 6.512) 6.537 2.323 ( 0.000 -3.387 -0.208) 3.393 2.385 ( 0.000 2.547 2.780) 3.770 2.471 ( 0.000 -6.655 4.401) 7.978 2.653 ( 0.000 5.545 -3.085) 6.345 2.791 ( 0.000 -6.497 -1.064) 6.584 2.928 ( 0.000 9.837 10.452) 14.353 2.928 ( 0.000 8.673 3.950) 9.530 3.057 ( 0.000 2.737 2.916) 3.999 3.173 ( 0.000 -10.129 2.208) 10.367 3.625 ( 0.000 7.977 12.086) 14.481 3.774 ( 0.000 -5.139 6.474) 8.266 3.816 ( 0.000 7.510 7.184) 10.392 3.857 ( 0.000 2.788 -9.155) 9.570 3.920 ( 0.000 4.440 0.045) 4.441 4.043 ( 0.000 -2.861 2.470) 3.779 4.130 ( 0.000 0.487 10.526) 10.538 4.181 ( 0.000 -6.632 28.499) 29.261 4.423 ( 0.000 2.999 44.713) 44.814 4.479 ( 0.000 -0.470 58.186) 58.188 4.562 ( 0.000 -1.578 49.124) 49.150 4.566 ( 0.000 -4.437 28.443) 28.787 4.764 ( 0.000 2.430 14.402) 14.605 4.864 ( 0.000 -6.017 11.186) 12.702 5.358 ( 0.000 7.545 -4.198) 8.634 5.512 ( 0.000 -6.369 -1.502) 6.544 5.838 ( 0.000 6.296 5.680) 8.480 5.995 ( 0.000 -8.139 4.113) 9.119 6.051 ( 0.000 -0.670 8.671) 8.697 6.069 ( 0.000 -2.734 8.891) 9.301 6.465 ( 0.000 0.236 7.020) 7.024 6.485 ( 0.000 -1.932 6.637) 6.912 6.756 ( 0.000 5.741 -0.085) 5.741 6.832 ( 0.000 -1.027 -1.904) 2.163 7.155 ( 0.000 8.897 -3.124) 9.429 7.288 ( 0.000 -1.613 -1.531) 2.224 7.292 ( 0.000 4.887 -10.667) 11.733 7.428 ( 0.000 -9.999 -11.933) 15.569 7.973 ( 0.000 5.365 -6.899) 8.740 8.084 ( 0.000 -1.269 -5.409) 5.556 8.100 ( 0.000 -3.431 -6.629) 7.464 8.111 ( 0.000 -0.577 -5.041) 5.074 8.377 ( 0.000 3.549 -5.622) 6.648 8.417 ( 0.000 -0.662 -8.360) 8.387 9.069 ( 0.000 1.183 -10.333) 10.400 9.081 ( 0.000 -0.023 -10.695) 10.695 9.291 ( 0.000 2.435 5.440) 5.960 9.314 ( 0.000 0.029 -6.049) 6.049 9.439 ( 0.000 3.233 -4.170) 5.276 9.552 ( 0.000 -6.629 12.795) 14.410 10.079 ( 0.000 6.787 8.575) 10.936 10.239 ( 0.000 -7.895 9.010) 11.979 10.721 ( 0.000 10.508 10.926) 15.159 10.941 ( 0.000 -8.686 -0.566) 8.704 11.073 ( 0.000 3.965 -4.427) 5.943 11.160 ( 0.000 -4.762 -3.082) 5.672 11.390 ( 0.000 5.093 4.753) 6.967 11.489 ( 0.000 -3.765 -1.123) 3.929 11.632 ( 0.000 7.086 -0.758) 7.127 11.789 ( 0.000 -7.806 -0.821) 7.850 12.438 ( 0.000 1.977 -14.605) 14.738 12.488 ( 0.000 -2.605 -13.272) 13.525 12.766 ( 0.000 5.291 -13.496) 14.496 12.860 ( 0.000 -3.432 -10.800) 11.332 13.492 ( 0.000 1.995 -4.337) 4.774 13.539 ( 0.000 1.013 -3.849) 3.980 13.578 ( 0.000 -3.118 -10.619) 11.067 13.604 ( 0.000 -2.365 -0.023) 2.366 13.963 ( 0.000 3.586 -7.420) 8.241 13.970 ( 0.000 4.436 -5.021) 6.699 14.135 ( 0.000 -3.047 12.250) 12.623 14.138 ( 0.000 -1.015 2.066) 2.302 14.227 ( 0.000 -0.133 12.320) 12.321 14.275 ( 0.000 -4.463 13.835) 14.537 14.510 ( 0.000 -0.314 -4.435) 4.446 14.520 ( 0.000 -0.896 -1.767) 1.981 14.972 ( 0.000 3.844 13.847) 14.371 14.993 ( 0.000 1.801 8.101) 8.299 15.130 ( 0.000 8.718 9.755) 13.083 15.394 ( 0.000 -16.900 10.385) 19.836 17.104 ( 0.000 -0.132 1.864) 1.869 17.126 ( 0.000 -2.012 7.089) 7.369 18.018 ( 0.000 1.281 6.654) 6.776 18.059 ( 0.000 -2.412 6.423) 6.861 19.980 ( 0.000 1.520 -27.535) 27.577 19.993 ( 0.000 0.026 -24.783) 24.783 20.359 ( 0.000 0.552 -22.081) 22.088 20.367 ( 0.000 -0.184 -20.213) 20.214 25.733 ( 0.000 3.713 2.212) 4.322 25.738 ( 0.000 1.926 6.926) 7.189 26.109 ( 0.000 1.415 8.801) 8.914 26.190 ( 0.000 -5.351 4.541) 7.018 26.639 ( 0.000 2.208 -9.704) 9.952 26.674 ( 0.000 -1.007 -9.163) 9.218 27.293 ( 0.000 9.587 -4.507) 10.594 27.531 ( 0.000 -12.998 -2.911) 13.320 27.832 ( 0.000 0.118 9.128) 9.128 27.856 ( 0.000 -1.666 10.617) 10.747 28.269 ( 0.000 6.041 -2.457) 6.522 28.375 ( 0.000 -3.685 -1.779) 4.092 28.584 ( 0.000 4.298 7.319) 8.487 28.683 ( 0.000 -4.951 9.391) 10.616 28.758 ( 0.000 0.670 10.311) 10.333 28.778 ( 0.000 -1.075 11.948) 11.996 29.151 ( 0.000 2.036 16.465) 16.590 29.222 ( 0.000 -4.854 17.456) 18.118 29.541 ( 0.000 4.581 1.767) 4.910 29.600 ( 0.000 -1.184 3.667) 3.853 29.818 ( 0.000 2.380 5.144) 5.668 29.847 ( 0.000 -0.246 -3.415) 3.424 30.835 ( 0.000 9.034 -25.503) 27.056 31.030 ( 0.000 -9.754 -26.498) 28.236 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.20 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 9.457 11.450 3.035) 15.158 1.359 ( 2.784 -21.759 -10.301) 24.235 1.531 ( 2.205 6.515 10.194) 12.298 1.740 ( 1.399 3.025 4.773) 5.822 1.771 ( -3.976 -3.926 0.066) 5.588 1.979 ( -4.753 -7.546 -0.769) 8.951 2.034 ( 6.453 0.224 -0.852) 6.513 2.108 ( -8.911 -1.115 1.369) 9.084 2.300 ( 8.574 -0.123 -0.953) 8.628 2.351 ( -2.974 3.108 0.209) 4.306 2.410 ( -1.050 -1.677 5.556) 5.897 2.484 ( 1.907 -6.928 2.398) 7.575 2.605 ( -1.653 1.189 2.483) 3.211 2.671 ( -4.898 -2.100 3.017) 6.124 2.907 ( 0.662 3.816 3.300) 5.088 2.995 ( -0.035 5.278 -2.340) 5.774 3.112 ( 1.268 3.147 5.064) 6.095 3.157 ( 0.419 -2.945 0.606) 3.036 3.621 ( 1.068 5.280 11.674) 12.857 3.771 ( -3.269 4.494 -6.928) 8.881 3.792 ( -0.476 0.643 11.209) 11.238 3.861 ( 2.697 1.240 9.547) 9.997 4.008 ( 4.901 1.877 2.188) 5.686 4.063 ( 3.074 3.054 6.701) 7.980 4.148 ( 1.647 -0.305 11.340) 11.463 4.222 ( 3.331 -5.286 20.346) 21.284 4.420 ( -0.002 1.163 41.956) 41.972 4.470 ( -1.036 -0.840 53.119) 53.136 4.527 ( -1.718 1.128 44.763) 44.810 4.581 ( -0.109 -3.294 41.090) 41.221 4.796 ( 0.812 -2.192 13.452) 13.654 4.876 ( 1.148 -1.982 6.149) 6.562 5.349 ( 1.874 5.124 -0.919) 5.533 5.611 ( 8.085 -4.790 -3.058) 9.882 5.777 ( -5.082 1.086 7.496) 9.121 5.962 ( 1.462 -4.017 4.030) 5.875 6.084 ( -1.374 -1.832 6.400) 6.797 6.135 ( 3.202 -2.411 8.633) 9.518 6.415 ( -1.145 -2.077 7.868) 8.218 6.578 ( 3.421 -0.585 9.176) 9.810 6.776 ( 3.387 5.308 -4.674) 7.841 6.842 ( 1.823 -0.386 -3.882) 4.306 7.065 ( -5.921 1.911 1.658) 6.439 7.291 ( -0.384 3.136 -1.603) 3.543 7.347 ( 2.636 2.997 -6.535) 7.658 7.462 ( 2.972 -6.920 -8.834) 11.609 7.865 ( -5.795 0.498 -9.318) 10.984 8.000 ( -1.011 0.374 -6.432) 6.521 8.110 ( -1.037 -1.026 -6.764) 6.919 8.135 ( -9.250 1.837 1.015) 9.485 8.286 ( -2.975 1.968 -9.585) 10.227 8.332 ( -6.805 0.233 -10.289) 12.338 9.107 ( 2.945 -0.042 -9.828) 10.260 9.123 ( 2.841 0.966 -11.553) 11.936 9.313 ( 2.108 2.153 0.616) 3.075 9.343 ( 2.484 0.069 -7.596) 7.992 9.428 ( 0.609 1.621 -0.185) 1.742 9.628 ( 5.427 -4.355 12.377) 14.199 9.952 ( -10.248 5.823 9.070) 14.873 10.164 ( -6.902 -7.524 8.113) 13.041 10.780 ( 4.966 7.453 11.097) 14.260 11.002 ( 5.340 -5.893 0.141) 7.954 11.106 ( 2.192 3.354 -0.530) 4.042 11.194 ( 1.426 -3.925 -1.658) 4.493 11.290 ( -3.427 0.661 0.658) 3.552 11.531 ( 0.322 1.890 0.540) 1.992 11.595 ( -3.511 5.549 -3.305) 7.351 11.748 ( -3.967 -7.752 -0.936) 8.759 12.412 ( 0.045 0.337 -15.554) 15.557 12.577 ( 5.952 -0.770 -12.957) 14.279 12.709 ( -4.856 6.606 -15.559) 17.587 12.846 ( -1.014 -4.990 -11.495) 12.573 13.396 ( -5.740 1.165 -4.486) 7.378 13.452 ( -5.491 -3.741 -5.182) 8.426 13.635 ( 4.087 3.253 -3.304) 6.181 13.767 ( 10.513 -3.036 -2.269) 11.176 13.891 ( -3.186 3.150 -3.947) 5.971 14.029 ( 2.002 2.753 1.254) 3.627 14.135 ( 1.189 0.929 2.146) 2.623 14.179 ( 1.681 -1.833 9.418) 9.741 14.229 ( 0.001 -2.273 8.872) 9.158 14.275 ( 0.303 -4.886 13.459) 14.322 14.446 ( -4.519 -0.455 -3.315) 5.623 14.504 ( -2.976 -0.112 0.334) 2.996 14.934 ( -0.015 1.908 11.564) 11.721 15.070 ( 3.669 4.740 5.745) 8.303 15.113 ( -1.239 4.634 12.339) 13.239 15.347 ( -3.943 -9.463 10.000) 14.321 16.995 ( -7.562 -0.974 4.974) 9.103 17.045 ( -6.873 -1.624 4.198) 8.216 18.083 ( 4.879 0.203 5.590) 7.422 18.115 ( 4.168 -1.421 5.705) 7.207 19.957 ( -1.029 0.846 -26.984) 27.017 19.999 ( -0.445 0.642 -25.091) 25.103 20.345 ( -0.168 0.200 -21.986) 21.988 20.384 ( 0.444 0.278 -20.516) 20.522 25.700 ( -0.307 2.968 5.123) 5.929 25.808 ( 4.191 2.242 5.720) 7.437 25.990 ( -7.007 -0.990 9.573) 11.905 26.201 ( -2.694 -2.607 9.396) 10.117 26.702 ( 5.496 1.636 -11.068) 12.466 26.754 ( 7.193 -0.901 -13.103) 14.974 27.202 ( -6.967 5.497 -5.589) 10.488 27.358 ( -10.853 -6.368 -4.557) 13.383 27.933 ( 8.002 2.842 9.982) 13.105 28.020 ( 9.514 -5.615 10.155) 15.006 28.241 ( 2.199 1.900 -0.653) 2.978 28.543 ( -3.162 3.757 7.196) 8.712 28.625 ( -0.856 -0.289 9.385) 9.429 28.637 ( -3.410 -3.945 8.104) 9.637 28.671 ( 13.630 1.852 1.683) 13.858 28.972 ( 11.715 -2.289 7.281) 13.982 29.164 ( 1.242 0.055 16.076) 16.124 29.218 ( -0.252 -3.222 17.926) 18.215 29.488 ( -3.309 2.793 2.149) 4.834 29.642 ( 2.169 0.465 5.314) 5.758 29.762 ( -4.049 0.665 -0.984) 4.220 29.848 ( -0.917 1.088 0.961) 1.716 30.780 ( -4.384 7.845 -25.687) 27.214 30.958 ( -6.473 -9.307 -26.773) 29.074 ======================= Grid point 62 (27/45) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 14.723 -0.422 6.078) 15.933 1.401 ( -2.566 -10.940 -0.899) 11.273 1.620 ( 3.782 0.924 2.700) 4.738 1.668 ( -2.969 -0.219 2.833) 4.110 1.731 ( -0.955 -3.106 -0.146) 3.253 1.838 ( -8.189 -8.248 -1.602) 11.733 2.036 ( 2.099 -0.345 -3.636) 4.213 2.103 ( -1.590 2.601 -0.317) 3.065 2.279 ( -0.283 1.435 0.294) 1.492 2.335 ( -3.127 -1.485 4.771) 5.895 2.417 ( 0.699 -1.991 3.908) 4.441 2.449 ( -2.685 -1.850 2.123) 3.891 2.686 ( 5.973 -2.938 -1.342) 6.791 2.705 ( 6.130 -2.914 0.988) 6.859 2.888 ( -2.259 3.036 1.483) 4.064 2.970 ( -6.862 -2.650 -6.046) 9.521 3.067 ( 4.289 1.792 -2.991) 5.528 3.176 ( -3.129 6.236 1.566) 7.151 3.655 ( 2.993 5.785 13.902) 15.352 3.723 ( -2.299 6.356 12.949) 14.607 3.833 ( 2.964 -0.650 6.529) 7.200 3.877 ( -1.134 0.944 9.021) 9.141 4.062 ( 3.315 3.744 8.762) 10.089 4.129 ( -1.264 -0.092 16.623) 16.672 4.220 ( 5.692 2.742 4.824) 7.949 4.283 ( 0.791 -1.399 7.716) 7.881 4.430 ( 0.585 -0.607 32.300) 32.311 4.446 ( -0.455 0.989 38.446) 38.462 4.507 ( 0.416 0.555 59.307) 59.311 4.551 ( -2.668 -2.423 54.379) 54.499 4.795 ( 1.201 -1.177 6.468) 6.683 4.861 ( -3.289 0.808 2.132) 4.002 5.473 ( 9.104 2.174 1.273) 9.446 5.654 ( -7.071 -2.152 2.735) 7.881 5.816 ( 10.107 -4.964 -0.611) 11.277 5.987 ( -5.498 -6.382 7.278) 11.133 6.037 ( 3.047 -0.792 3.093) 4.413 6.114 ( -3.697 -0.914 12.858) 13.410 6.458 ( 3.718 -1.949 7.186) 8.322 6.547 ( -4.481 -1.721 8.026) 9.352 6.852 ( 4.276 1.042 -8.571) 9.635 6.919 ( 0.960 1.958 -5.982) 6.367 7.024 ( 2.903 -0.114 4.778) 5.592 7.160 ( -9.327 -0.629 6.749) 11.530 7.445 ( 9.398 2.598 1.584) 9.878 7.595 ( 5.829 0.627 -5.493) 8.034 7.790 ( -4.664 0.998 -9.462) 10.596 7.826 ( -11.505 -0.442 -1.744) 11.645 8.051 ( -0.412 0.148 -6.949) 6.962 8.059 ( -1.762 -0.178 -7.253) 7.466 8.172 ( -1.264 2.169 -12.287) 12.541 8.258 ( -4.232 0.821 -13.136) 13.826 9.156 ( 1.516 0.199 -10.519) 10.630 9.165 ( 0.825 0.879 -11.183) 11.248 9.369 ( 2.606 1.462 -8.492) 9.003 9.388 ( 1.006 -0.195 -11.439) 11.485 9.494 ( 6.037 3.312 7.940) 10.510 9.659 ( -7.483 2.944 14.061) 16.198 9.824 ( 4.236 -3.325 7.929) 9.585 9.987 ( -9.274 -6.740 8.620) 14.344 10.902 ( 6.519 2.787 9.955) 12.222 11.043 ( -6.764 0.478 8.837) 11.139 11.137 ( 6.816 -1.418 1.508) 7.123 11.222 ( 0.697 0.077 -2.120) 2.233 11.342 ( 5.104 0.604 -2.092) 5.549 11.481 ( -7.038 4.652 -3.871) 9.282 11.528 ( 1.952 -0.245 -3.112) 3.682 11.635 ( -6.456 -6.213 -1.668) 9.114 12.459 ( 4.302 1.770 -17.325) 17.939 12.575 ( -6.389 4.273 -17.281) 18.914 12.719 ( 6.322 -0.468 -14.360) 15.697 12.820 ( -2.620 -3.350 -12.828) 13.514 13.299 ( -1.316 -1.145 -4.289) 4.630 13.351 ( -4.825 -2.823 -1.775) 5.865 13.730 ( 4.875 3.001 -0.492) 5.746 13.817 ( -3.465 2.918 0.010) 4.530 13.989 ( 8.858 -1.884 -2.362) 9.359 14.063 ( 1.010 1.377 5.767) 6.015 14.149 ( 0.391 2.180 1.832) 2.875 14.198 ( -1.395 -1.911 0.826) 2.506 14.229 ( 0.682 -4.518 13.310) 14.072 14.256 ( -2.508 -5.433 10.652) 12.217 14.374 ( -0.814 0.438 2.312) 2.490 14.416 ( -4.331 0.377 3.984) 5.897 14.975 ( 3.316 1.409 9.868) 10.505 15.048 ( -3.334 2.613 8.870) 9.829 15.167 ( 4.229 3.574 7.971) 9.705 15.257 ( -4.462 0.949 7.940) 9.157 16.883 ( -2.276 -1.895 4.508) 5.394 16.912 ( -4.748 -2.354 3.808) 6.526 18.169 ( 2.720 -0.388 4.633) 5.386 18.181 ( 1.535 -0.697 4.763) 5.052 19.951 ( 0.556 0.638 -26.527) 26.541 19.976 ( -1.517 0.608 -25.576) 25.628 20.357 ( 1.118 0.319 -21.657) 21.688 20.379 ( -0.809 0.385 -20.856) 20.875 25.732 ( 3.375 1.990 7.153) 8.156 25.827 ( -5.023 0.477 7.279) 8.856 25.946 ( 5.576 0.222 10.777) 12.136 26.088 ( -7.102 -1.257 11.043) 13.190 26.842 ( 7.293 0.175 -11.811) 13.882 26.908 ( 5.095 0.059 -14.584) 15.449 27.066 ( -4.093 0.765 -7.723) 8.774 27.154 ( -8.734 -1.443 -9.054) 12.662 28.097 ( 6.803 2.627 10.403) 12.705 28.155 ( 2.409 -2.557 10.960) 11.509 28.349 ( 6.917 0.278 5.091) 8.593 28.467 ( -3.446 1.245 7.252) 8.125 28.521 ( -4.659 -0.481 9.362) 10.468 28.537 ( -4.611 -2.031 7.751) 9.244 29.010 ( 11.787 6.352 3.388) 13.811 29.137 ( -1.064 -1.886 8.190) 8.471 29.211 ( 5.056 0.636 16.301) 17.079 29.262 ( 3.723 -2.259 8.603) 9.642 29.448 ( 1.936 -0.539 4.476) 4.906 29.593 ( -7.638 -1.494 4.253) 8.869 29.739 ( 2.610 0.602 -1.361) 3.005 29.805 ( -3.025 1.354 1.644) 3.700 30.718 ( 0.014 2.059 -26.861) 26.940 30.802 ( -7.256 -5.909 -27.394) 28.948 ======================= Grid point 75 (28/45) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 0.000 15.982) 15.982 1.569 ( 0.000 0.000 18.479) 18.479 1.672 ( 0.000 0.000 -4.886) 4.886 1.952 ( 0.000 0.000 12.461) 12.461 1.986 ( 0.000 0.000 -2.559) 2.559 2.104 ( 0.000 0.000 -2.188) 2.188 2.114 ( 0.000 0.000 11.951) 11.951 2.270 ( 0.000 0.000 -4.373) 4.373 2.335 ( 0.000 0.000 0.781) 0.781 2.366 ( 0.000 0.000 -6.310) 6.310 2.499 ( 0.000 0.000 -6.094) 6.094 2.541 ( 0.000 0.000 -5.120) 5.120 2.599 ( 0.000 0.000 -2.106) 2.106 2.645 ( 0.000 0.000 9.779) 9.779 2.725 ( 0.000 0.000 3.839) 3.839 2.995 ( 0.000 0.000 4.768) 4.768 3.097 ( 0.000 0.000 14.558) 14.558 3.117 ( 0.000 0.000 -0.205) 0.205 3.474 ( 0.000 0.000 -6.707) 6.707 3.516 ( 0.000 0.000 1.481) 1.481 3.771 ( 0.000 0.000 -2.762) 2.762 3.796 ( 0.000 0.000 1.758) 1.758 3.950 ( 0.000 0.000 14.868) 14.868 4.247 ( 0.000 0.000 14.747) 14.747 4.315 ( 0.000 0.000 -0.286) 0.286 4.708 ( 0.000 0.000 -16.036) 16.036 4.867 ( 0.000 0.000 -2.541) 2.541 4.873 ( 0.000 0.000 4.320) 4.320 5.014 ( 0.000 0.000 -3.695) 3.695 5.057 ( 0.000 0.000 17.094) 17.094 5.182 ( 0.000 0.000 6.910) 6.910 5.187 ( 0.000 0.000 4.314) 4.314 5.915 ( 0.000 0.000 50.355) 50.355 6.135 ( 0.000 0.000 36.478) 36.478 6.206 ( 0.000 0.000 30.169) 30.169 6.271 ( 0.000 0.000 -2.095) 2.095 6.323 ( 0.000 0.000 13.421) 13.421 6.609 ( 0.000 0.000 42.678) 42.678 6.630 ( 0.000 0.000 -3.394) 3.394 6.647 ( 0.000 0.000 31.681) 31.681 6.761 ( 0.000 0.000 9.814) 9.814 6.862 ( 0.000 0.000 -5.030) 5.030 6.880 ( 0.000 0.000 13.359) 13.359 7.116 ( 0.000 0.000 13.446) 13.446 7.242 ( 0.000 0.000 -2.102) 2.102 7.659 ( 0.000 0.000 -11.651) 11.651 7.665 ( 0.000 0.000 -12.892) 12.892 7.816 ( 0.000 0.000 -18.259) 18.259 8.007 ( 0.000 0.000 -11.529) 11.529 8.044 ( 0.000 0.000 6.394) 6.394 8.117 ( 0.000 0.000 -12.764) 12.764 8.155 ( 0.000 0.000 -2.981) 2.981 8.703 ( 0.000 0.000 -16.142) 16.142 8.823 ( 0.000 0.000 -16.850) 16.850 9.011 ( 0.000 0.000 -17.518) 17.518 9.036 ( 0.000 0.000 -19.848) 19.848 9.453 ( 0.000 0.000 14.892) 14.892 10.103 ( 0.000 0.000 22.215) 22.215 10.192 ( 0.000 0.000 14.826) 14.826 10.729 ( 0.000 0.000 14.025) 14.025 10.750 ( 0.000 0.000 -18.357) 18.357 10.849 ( 0.000 0.000 -2.773) 2.773 10.960 ( 0.000 0.000 23.299) 23.299 11.250 ( 0.000 0.000 0.362) 0.362 11.274 ( 0.000 0.000 -13.571) 13.571 11.413 ( 0.000 0.000 -4.132) 4.132 11.545 ( 0.000 0.000 13.806) 13.806 11.983 ( 0.000 0.000 -20.575) 20.575 12.083 ( 0.000 0.000 -1.208) 1.208 12.268 ( 0.000 0.000 -15.853) 15.853 12.322 ( 0.000 0.000 -11.698) 11.698 12.745 ( 0.000 0.000 -16.128) 16.128 13.191 ( 0.000 0.000 -13.649) 13.649 13.286 ( 0.000 0.000 -23.617) 23.617 13.597 ( 0.000 0.000 3.750) 3.750 13.734 ( 0.000 0.000 -0.017) 0.017 13.740 ( 0.000 0.000 -1.957) 1.957 13.949 ( 0.000 0.000 10.843) 10.843 14.005 ( 0.000 0.000 -8.633) 8.633 14.377 ( 0.000 0.000 9.720) 9.720 14.488 ( 0.000 0.000 -4.509) 4.509 14.545 ( 0.000 0.000 14.393) 14.393 14.626 ( 0.000 0.000 11.277) 11.277 14.912 ( 0.000 0.000 11.928) 11.928 14.914 ( 0.000 0.000 -1.638) 1.638 15.055 ( 0.000 0.000 19.628) 19.628 15.106 ( 0.000 0.000 2.429) 2.429 16.002 ( 0.000 0.000 -7.316) 7.316 17.185 ( 0.000 0.000 10.484) 10.484 17.538 ( 0.000 0.000 22.567) 22.567 18.274 ( 0.000 0.000 15.572) 15.572 18.349 ( 0.000 0.000 15.749) 15.749 19.167 ( 0.000 0.000 -37.767) 37.767 19.433 ( 0.000 0.000 -30.753) 30.753 19.786 ( 0.000 0.000 -28.736) 28.736 19.914 ( 0.000 0.000 -26.048) 26.048 25.607 ( 0.000 0.000 8.433) 8.433 25.861 ( 0.000 0.000 8.696) 8.696 26.288 ( 0.000 0.000 -13.261) 13.261 26.431 ( 0.000 0.000 -11.370) 11.370 26.488 ( 0.000 0.000 6.177) 6.177 26.511 ( 0.000 0.000 17.927) 17.927 26.904 ( 0.000 0.000 -8.631) 8.631 27.657 ( 0.000 0.000 -15.922) 15.922 27.997 ( 0.000 0.000 0.974) 0.974 28.077 ( 0.000 0.000 -1.025) 1.025 28.101 ( 0.000 0.000 7.158) 7.158 28.411 ( 0.000 0.000 -2.959) 2.959 28.603 ( 0.000 0.000 6.687) 6.687 28.933 ( 0.000 0.000 11.323) 11.323 29.094 ( 0.000 0.000 12.593) 12.593 29.135 ( 0.000 0.000 16.601) 16.601 29.153 ( 0.000 0.000 -9.271) 9.271 29.401 ( 0.000 0.000 12.598) 12.598 29.574 ( 0.000 0.000 2.993) 2.993 29.623 ( 0.000 0.000 -6.925) 6.925 29.685 ( 0.000 0.000 5.322) 5.322 29.981 ( 0.000 0.000 12.018) 12.018 30.473 ( 0.000 0.000 -2.115) 2.115 30.725 ( 0.000 0.000 -28.674) 28.674 ======================= Grid point 76 (29/45) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 2.144 0.000 9.596) 9.832 1.583 ( 2.948 0.000 15.066) 15.351 1.724 ( 4.308 0.000 -1.700) 4.631 1.949 ( -0.195 0.000 9.772) 9.774 1.963 ( -2.263 0.000 -1.682) 2.819 2.040 ( -0.981 0.000 0.483) 1.093 2.171 ( -9.552 0.000 0.825) 9.588 2.312 ( 4.814 0.000 -0.727) 4.868 2.323 ( -5.874 0.000 -6.739) 8.939 2.366 ( -2.205 0.000 1.164) 2.493 2.384 ( 6.475 0.000 2.245) 6.853 2.482 ( -4.007 0.000 -7.891) 8.850 2.630 ( -1.019 0.000 5.820) 5.908 2.663 ( 6.074 0.000 -1.799) 6.335 2.853 ( 6.326 0.000 1.750) 6.563 2.966 ( -1.849 0.000 2.044) 2.756 3.137 ( 2.359 0.000 2.408) 3.371 3.177 ( 6.967 0.000 15.656) 17.136 3.506 ( 1.253 0.000 -1.945) 2.314 3.537 ( 0.160 0.000 4.625) 4.628 3.726 ( -2.024 0.000 0.111) 2.027 3.838 ( 4.012 0.000 2.669) 4.819 3.934 ( -2.910 0.000 9.310) 9.755 4.152 ( -2.437 0.000 7.607) 7.987 4.416 ( 3.939 0.000 7.822) 8.758 4.498 ( -13.883 0.000 -5.608) 14.973 4.881 ( 0.467 0.000 2.938) 2.975 4.934 ( 2.672 0.000 -6.495) 7.024 4.979 ( -0.467 0.000 1.152) 1.243 5.076 ( -8.248 0.000 6.638) 10.587 5.250 ( 12.235 0.000 7.030) 14.111 5.270 ( 7.678 0.000 5.176) 9.260 5.880 ( -2.480 0.000 47.033) 47.098 6.140 ( -0.741 0.000 34.095) 34.103 6.224 ( 0.487 0.000 24.207) 24.212 6.241 ( -3.938 0.000 28.509) 28.780 6.393 ( 9.048 0.000 -0.417) 9.058 6.611 ( -1.411 0.000 -1.680) 2.194 6.686 ( 3.942 0.000 34.030) 34.258 6.717 ( 0.808 0.000 23.386) 23.400 6.776 ( 6.901 0.000 17.351) 18.673 6.820 ( -4.808 0.000 10.246) 11.318 6.909 ( 6.004 0.000 -6.080) 8.545 7.138 ( 3.296 0.000 14.376) 14.749 7.334 ( 6.721 0.000 -1.859) 6.973 7.620 ( -2.070 0.000 -13.438) 13.597 7.701 ( 2.521 0.000 -9.966) 10.280 7.770 ( -6.326 0.000 -16.859) 18.007 7.906 ( -11.588 0.000 9.251) 14.828 7.934 ( -5.125 0.000 -13.045) 14.015 8.017 ( -8.137 0.000 -13.022) 15.355 8.087 ( -6.521 0.000 -3.498) 7.400 8.741 ( 2.730 0.000 -16.260) 16.487 8.841 ( 0.494 0.000 -17.610) 17.617 9.009 ( 1.643 0.000 -17.779) 17.855 9.075 ( 2.029 0.000 -18.740) 18.850 9.492 ( 3.747 0.000 15.422) 15.870 10.070 ( -10.430 0.000 15.915) 19.028 10.168 ( 5.826 0.000 20.902) 21.699 10.662 ( -6.049 0.000 14.019) 15.269 10.777 ( 2.771 0.000 -16.583) 16.812 10.910 ( 5.616 0.000 -4.841) 7.415 11.042 ( 6.997 0.000 21.629) 22.733 11.175 ( -7.720 0.000 -11.824) 14.121 11.320 ( 6.087 0.000 -0.855) 6.147 11.386 ( -3.767 0.000 -7.489) 8.383 11.498 ( -4.020 0.000 14.790) 15.326 11.991 ( 0.928 0.000 -19.774) 19.796 11.991 ( -8.268 0.000 -2.091) 8.528 12.251 ( -5.705 0.000 -12.597) 13.828 12.333 ( 5.580 0.000 -15.906) 16.857 12.729 ( -2.469 0.000 -18.266) 18.432 13.257 ( 5.751 0.000 -11.478) 12.838 13.287 ( 1.768 0.000 -13.743) 13.857 13.614 ( -4.854 0.000 -2.559) 5.487 13.629 ( 0.320 0.000 -1.528) 1.561 13.918 ( -0.411 0.000 5.264) 5.281 13.925 ( 10.486 0.000 -1.335) 10.571 14.029 ( 0.920 0.000 -3.504) 3.623 14.379 ( 0.652 0.000 10.972) 10.991 14.450 ( -3.656 0.000 -4.266) 5.618 14.580 ( -1.383 0.000 12.753) 12.827 14.625 ( 4.122 0.000 12.469) 13.132 14.900 ( -0.151 0.000 2.346) 2.351 14.960 ( 1.890 0.000 7.196) 7.440 15.016 ( -3.672 0.000 18.483) 18.844 15.119 ( 2.976 0.000 3.782) 4.812 15.882 ( -11.090 0.000 -2.142) 11.295 17.152 ( -2.553 0.000 12.542) 12.800 17.392 ( -11.154 0.000 23.776) 26.262 18.318 ( 3.335 0.000 14.373) 14.755 18.377 ( 2.018 0.000 15.166) 15.299 19.183 ( 1.589 0.000 -37.543) 37.577 19.400 ( -3.039 0.000 -32.071) 32.215 19.798 ( 1.317 0.000 -28.094) 28.125 19.910 ( -0.580 0.000 -26.018) 26.025 25.665 ( 5.446 0.000 9.080) 10.588 25.917 ( 5.158 0.000 8.401) 9.858 26.309 ( -10.562 0.000 11.557) 15.657 26.375 ( 8.109 0.000 -13.227) 15.515 26.495 ( 5.375 0.000 -12.513) 13.619 26.528 ( -4.174 0.000 12.201) 12.895 26.877 ( -2.410 0.000 -9.521) 9.821 27.388 ( -18.288 0.000 -11.222) 21.457 28.021 ( 5.918 0.000 4.281) 7.305 28.135 ( 6.999 0.000 -0.755) 7.040 28.394 ( 13.833 0.000 5.127) 14.753 28.556 ( -3.044 0.000 6.313) 7.009 28.561 ( 12.121 0.000 -2.028) 12.290 28.924 ( -2.697 0.000 12.570) 12.856 28.946 ( -10.920 0.000 5.108) 12.056 29.166 ( -1.874 0.000 -2.460) 3.093 29.218 ( 10.481 0.000 8.611) 13.565 29.475 ( 6.039 0.000 13.242) 14.554 29.590 ( 0.810 0.000 -0.228) 0.841 29.624 ( -0.151 0.000 -2.779) 2.783 29.691 ( 1.474 0.000 4.982) 5.195 29.950 ( -2.958 0.000 11.563) 11.936 30.400 ( -6.116 0.000 -2.966) 6.797 30.639 ( -8.007 0.000 -28.663) 29.760 ======================= Grid point 77 (30/45) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 8.631 0.000 4.244) 9.618 1.713 ( 8.730 0.000 7.794) 11.703 1.812 ( 2.023 0.000 1.229) 2.367 1.880 ( -6.176 0.000 1.321) 6.315 1.924 ( -6.249 0.000 -3.857) 7.344 1.928 ( -6.770 0.000 4.742) 8.266 2.064 ( 3.630 0.000 -0.634) 3.685 2.198 ( -8.692 0.000 0.424) 8.702 2.263 ( 1.057 0.000 1.638) 1.950 2.321 ( -3.232 0.000 1.139) 3.427 2.461 ( 1.433 0.000 -6.628) 6.781 2.501 ( -1.274 0.000 -1.823) 2.224 2.724 ( 10.321 0.000 -6.016) 11.947 2.811 ( 6.958 0.000 -1.916) 7.217 2.899 ( -5.727 0.000 -6.083) 8.354 2.907 ( -1.406 0.000 0.135) 1.413 3.256 ( 9.268 0.000 11.654) 14.890 3.341 ( 7.832 0.000 17.759) 19.410 3.450 ( -7.268 0.000 7.577) 10.499 3.474 ( -5.066 0.000 14.281) 15.153 3.739 ( 2.289 0.000 0.734) 2.403 3.823 ( -5.964 0.000 1.967) 6.280 3.975 ( 9.472 0.000 2.669) 9.841 4.214 ( -13.078 0.000 -0.040) 13.078 4.225 ( 8.424 0.000 6.062) 10.378 4.402 ( -5.999 0.000 7.332) 9.473 4.888 ( 0.703 0.000 2.545) 2.640 4.935 ( -4.258 0.000 7.567) 8.683 4.971 ( 1.112 0.000 -3.325) 3.506 4.980 ( 0.139 0.000 -0.159) 0.211 5.419 ( 6.647 0.000 4.523) 8.040 5.467 ( 4.386 0.000 5.614) 7.125 5.874 ( 3.792 0.000 39.275) 39.457 6.022 ( -8.411 0.000 29.414) 30.593 6.229 ( 1.809 0.000 28.915) 28.972 6.250 ( 0.288 0.000 31.163) 31.164 6.536 ( 4.247 0.000 -0.007) 4.247 6.590 ( -1.184 0.000 0.122) 1.190 6.662 ( -0.407 0.000 12.806) 12.812 6.718 ( -4.620 0.000 11.229) 12.142 6.818 ( 5.201 0.000 28.444) 28.916 6.878 ( 0.319 0.000 24.839) 24.841 7.129 ( 14.215 0.000 -5.474) 15.232 7.308 ( 12.771 0.000 14.154) 19.064 7.400 ( -6.738 0.000 -0.632) 6.768 7.565 ( 0.969 0.000 -11.272) 11.313 7.598 ( -14.134 0.000 10.758) 17.762 7.678 ( -1.734 0.000 -15.517) 15.614 7.790 ( 3.774 0.000 -3.449) 5.113 7.799 ( -4.570 0.000 -12.950) 13.733 7.867 ( -5.929 0.000 -21.384) 22.191 7.921 ( -8.268 0.000 -4.452) 9.390 8.793 ( 2.137 0.000 -16.502) 16.640 8.828 ( -1.322 0.000 -17.212) 17.262 9.066 ( 2.775 0.000 -18.050) 18.262 9.097 ( -0.101 0.000 -18.185) 18.186 9.613 ( 8.171 0.000 16.184) 18.130 9.825 ( -11.924 0.000 16.483) 20.344 10.321 ( 8.555 0.000 18.187) 20.099 10.504 ( -8.699 0.000 15.627) 17.885 10.865 ( 5.675 0.000 -14.384) 15.463 11.006 ( -7.537 0.000 -12.931) 14.967 11.066 ( 8.589 0.000 -6.942) 11.044 11.203 ( 7.896 0.000 18.539) 20.151 11.253 ( -8.544 0.000 -8.854) 12.304 11.352 ( -5.948 0.000 13.360) 14.624 11.531 ( 10.205 0.000 0.577) 10.221 11.773 ( -12.023 0.000 -2.533) 12.287 12.031 ( 3.150 0.000 -17.764) 18.042 12.124 ( -5.741 0.000 -14.892) 15.961 12.477 ( 7.660 0.000 -17.134) 18.768 12.630 ( -6.669 0.000 -18.920) 20.061 13.387 ( 7.271 0.000 -4.829) 8.728 13.393 ( 6.704 0.000 -7.921) 10.377 13.516 ( -5.110 0.000 -5.016) 7.160 13.548 ( -7.199 0.000 -2.469) 7.610 13.965 ( 3.678 0.000 0.246) 3.686 14.024 ( -1.608 0.000 -2.144) 2.680 14.148 ( 10.462 0.000 -2.879) 10.851 14.336 ( -7.409 0.000 -3.818) 8.335 14.419 ( 3.268 0.000 12.355) 12.780 14.504 ( -4.514 0.000 12.331) 13.131 14.762 ( 7.464 0.000 13.723) 15.622 14.908 ( 1.097 0.000 1.965) 2.251 14.909 ( -6.440 0.000 15.912) 17.165 14.946 ( -2.223 0.000 3.217) 3.910 15.288 ( 12.467 0.000 9.228) 15.511 15.590 ( -15.733 0.000 7.098) 17.260 17.119 ( 0.326 0.000 16.721) 16.724 17.191 ( -6.929 0.000 21.056) 22.167 18.382 ( 2.404 0.000 13.568) 13.779 18.405 ( 0.267 0.000 14.013) 14.016 19.235 ( 3.429 0.000 -36.610) 36.770 19.319 ( -4.394 0.000 -34.635) 34.912 19.839 ( 2.383 0.000 -26.943) 27.048 19.885 ( -1.854 0.000 -26.212) 26.277 25.818 ( 8.846 0.000 10.102) 13.428 25.990 ( -4.255 0.000 8.899) 9.864 26.171 ( 3.434 0.000 11.386) 11.893 26.360 ( -10.609 0.000 10.720) 15.082 26.580 ( 9.124 0.000 -13.551) 16.336 26.609 ( 4.450 0.000 -13.241) 13.968 26.835 ( 0.505 0.000 -10.705) 10.717 27.026 ( -15.726 0.000 -10.516) 18.918 28.189 ( 9.378 0.000 6.020) 11.144 28.366 ( 14.236 0.000 1.161) 14.283 28.378 ( -8.245 0.000 7.403) 11.081 28.673 ( 8.440 0.000 10.324) 13.335 28.674 ( -14.413 0.000 3.175) 14.758 28.824 ( -6.306 0.000 13.014) 14.462 28.834 ( 12.572 0.000 -1.303) 12.640 29.058 ( -8.391 0.000 -1.565) 8.536 29.502 ( 12.247 0.000 5.670) 13.495 29.592 ( 3.139 0.000 12.094) 12.495 29.598 ( 0.262 0.000 -3.036) 3.047 29.609 ( -0.862 0.000 -1.684) 1.892 29.763 ( 4.830 0.000 7.707) 9.095 29.867 ( -4.813 0.000 10.141) 11.225 30.298 ( -0.903 0.000 -12.177) 12.211 30.425 ( -11.077 0.000 -26.288) 28.526 ======================= Grid point 80 (31/45) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.000 -16.681 22.237) 27.799 1.540 ( 0.000 -12.419 -4.542) 13.223 1.645 ( 0.000 6.245 16.188) 17.351 1.855 ( 0.000 -4.689 1.250) 4.853 1.950 ( 0.000 -2.961 5.899) 6.600 1.957 ( 0.000 -10.618 -6.197) 12.295 2.162 ( 0.000 0.810 4.836) 4.903 2.198 ( 0.000 -5.781 -2.205) 6.188 2.328 ( 0.000 1.677 -0.116) 1.681 2.364 ( 0.000 2.446 3.770) 4.494 2.437 ( 0.000 0.240 -0.235) 0.336 2.669 ( 0.000 -5.025 2.649) 5.680 2.706 ( 0.000 7.945 -3.400) 8.642 2.762 ( 0.000 -2.945 8.282) 8.790 2.823 ( 0.000 13.406 7.179) 15.207 2.847 ( 0.000 8.859 -5.276) 10.311 3.004 ( 0.000 -8.761 2.457) 9.099 3.363 ( 0.000 13.839 2.796) 14.119 3.363 ( 0.000 -8.534 -4.953) 9.867 3.599 ( 0.000 3.507 -5.716) 6.707 3.769 ( 0.000 0.219 -0.460) 0.510 3.815 ( 0.000 4.629 5.870) 7.476 4.040 ( 0.000 3.966 12.047) 12.683 4.227 ( 0.000 -1.830 13.388) 13.513 4.319 ( 0.000 2.020 0.098) 2.022 4.656 ( 0.000 -4.803 -10.699) 11.727 4.689 ( 0.000 -8.594 6.879) 11.008 4.979 ( 0.000 -7.423 15.386) 17.083 4.980 ( 0.000 4.198 -2.861) 5.080 5.038 ( 0.000 1.332 -3.031) 3.310 5.147 ( 0.000 -1.036 5.395) 5.493 5.183 ( 0.000 -2.296 2.223) 3.196 5.925 ( 0.000 1.234 47.679) 47.695 6.098 ( 0.000 -3.211 37.636) 37.773 6.132 ( 0.000 -2.802 20.633) 20.823 6.256 ( 0.000 -5.141 11.013) 12.154 6.428 ( 0.000 9.182 8.652) 12.616 6.598 ( 0.000 -0.607 42.584) 42.588 6.628 ( 0.000 -0.505 18.939) 18.946 6.641 ( 0.000 -0.195 21.084) 21.085 6.812 ( 0.000 3.558 5.670) 6.694 6.868 ( 0.000 -0.780 12.530) 12.555 6.897 ( 0.000 3.607 -2.689) 4.499 7.162 ( 0.000 3.570 7.939) 8.705 7.229 ( 0.000 -1.405 -3.799) 4.051 7.446 ( 0.000 -9.776 -9.628) 13.721 7.803 ( 0.000 4.036 -8.220) 9.158 7.827 ( 0.000 0.984 -18.015) 18.041 7.963 ( 0.000 -2.612 -5.550) 6.134 8.078 ( 0.000 -3.541 -5.356) 6.421 8.129 ( 0.000 5.876 -6.346) 8.649 8.184 ( 0.000 2.586 -9.010) 9.374 8.738 ( 0.000 2.188 -16.549) 16.693 8.811 ( 0.000 -1.107 -17.321) 17.356 9.021 ( 0.000 0.805 -17.757) 17.776 9.039 ( 0.000 0.364 -20.052) 20.056 9.529 ( 0.000 7.116 17.125) 18.545 10.066 ( 0.000 -3.841 21.470) 21.811 10.207 ( 0.000 1.832 13.616) 13.739 10.620 ( 0.000 -7.928 11.470) 13.943 10.791 ( 0.000 3.396 -14.718) 15.105 10.887 ( 0.000 1.321 2.565) 2.885 10.996 ( 0.000 3.834 17.809) 18.217 11.238 ( 0.000 -1.060 -0.630) 1.234 11.306 ( 0.000 2.540 -11.231) 11.514 11.408 ( 0.000 -0.443 -2.998) 3.030 11.572 ( 0.000 2.456 8.925) 9.257 11.910 ( 0.000 -6.296 -9.623) 11.500 12.091 ( 0.000 0.988 -9.980) 10.029 12.252 ( 0.000 -1.764 -14.970) 15.074 12.363 ( 0.000 3.481 -13.585) 14.024 12.668 ( 0.000 -5.781 -18.840) 19.707 13.276 ( 0.000 4.401 -14.543) 15.194 13.300 ( 0.000 3.832 -14.368) 14.870 13.558 ( 0.000 -4.027 3.211) 5.150 13.687 ( 0.000 -3.780 0.553) 3.820 13.770 ( 0.000 2.755 -2.135) 3.486 13.952 ( 0.000 -0.204 7.078) 7.081 14.060 ( 0.000 4.937 -8.040) 9.434 14.397 ( 0.000 1.848 9.853) 10.025 14.426 ( 0.000 -4.786 0.223) 4.791 14.550 ( 0.000 -0.387 8.930) 8.938 14.609 ( 0.000 -1.216 12.246) 12.306 14.775 ( 0.000 -8.183 17.043) 18.906 14.961 ( 0.000 4.180 -1.413) 4.412 15.140 ( 0.000 3.556 11.475) 12.013 15.145 ( 0.000 3.725 2.445) 4.456 15.838 ( 0.000 -14.079 -3.819) 14.588 17.211 ( 0.000 2.661 13.327) 13.590 17.504 ( 0.000 -3.235 22.344) 22.577 18.251 ( 0.000 -1.372 15.913) 15.972 18.328 ( 0.000 -1.956 15.722) 15.843 19.225 ( 0.000 4.643 -37.543) 37.829 19.424 ( 0.000 -0.901 -31.470) 31.482 19.802 ( 0.000 1.422 -28.778) 28.814 19.903 ( 0.000 -1.015 -26.522) 26.541 25.672 ( 0.000 5.527 6.392) 8.451 25.866 ( 0.000 0.398 7.837) 7.847 26.251 ( 0.000 -2.791 -8.041) 8.512 26.329 ( 0.000 -5.898 -4.694) 7.538 26.536 ( 0.000 1.829 12.405) 12.539 26.553 ( 0.000 2.613 0.508) 2.662 26.973 ( 0.000 6.347 -8.607) 10.695 27.577 ( 0.000 -7.605 -15.051) 16.863 27.969 ( 0.000 -1.276 3.411) 3.642 28.077 ( 0.000 -2.153 6.828) 7.160 28.113 ( 0.000 3.289 -1.963) 3.830 28.386 ( 0.000 -2.435 -3.609) 4.354 28.647 ( 0.000 4.185 7.997) 9.026 28.948 ( 0.000 1.168 11.797) 11.855 29.037 ( 0.000 -4.499 12.490) 13.275 29.106 ( 0.000 -1.748 14.151) 14.259 29.292 ( 0.000 10.381 -6.603) 12.303 29.418 ( 0.000 1.238 12.512) 12.573 29.554 ( 0.000 -1.786 4.258) 4.617 29.647 ( 0.000 0.521 -4.186) 4.218 29.724 ( 0.000 4.828 3.913) 6.214 29.977 ( 0.000 -0.428 10.494) 10.503 30.442 ( 0.000 -2.498 -5.576) 6.110 30.655 ( 0.000 -6.261 -27.637) 28.337 ======================= Grid point 81 (32/45) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 7.107 -13.018 17.683) 23.079 1.575 ( 3.415 -11.295 -2.011) 11.970 1.653 ( 1.734 3.732 12.572) 13.228 1.845 ( -0.763 -6.587 -0.312) 6.638 1.915 ( -2.372 -3.934 5.921) 7.494 1.974 ( 0.449 -3.344 -3.095) 4.578 2.115 ( -4.442 -4.435 0.533) 6.299 2.247 ( -6.716 -4.202 1.868) 8.139 2.281 ( 2.220 -1.136 -2.911) 3.833 2.324 ( -0.361 -1.123 1.510) 1.916 2.473 ( 5.397 4.932 3.131) 7.953 2.606 ( -6.103 4.933 -4.179) 8.891 2.675 ( -3.317 4.167 0.832) 5.391 2.732 ( -1.473 -2.708 4.138) 5.160 2.845 ( 4.679 0.245 2.107) 5.137 2.916 ( 1.380 4.057 -0.916) 4.382 3.047 ( 3.758 -1.676 3.610) 5.474 3.294 ( -4.456 -6.327 0.598) 7.762 3.463 ( 6.901 7.907 3.634) 11.107 3.609 ( 1.858 3.764 -1.982) 4.642 3.786 ( 1.813 4.020 -0.065) 4.411 3.903 ( 6.569 5.732 4.339) 9.738 4.019 ( -1.875 5.097 10.804) 12.092 4.131 ( -4.355 0.541 6.342) 7.712 4.400 ( 3.137 -0.615 7.185) 7.864 4.521 ( -9.361 0.730 -1.745) 9.550 4.723 ( 2.224 -9.384 1.052) 9.701 4.912 ( -1.879 -4.776 2.527) 5.721 4.997 ( -3.047 -0.469 -1.885) 3.613 5.074 ( -1.402 0.735 4.842) 5.094 5.220 ( 6.344 -4.070 3.836) 8.457 5.265 ( 10.730 1.020 5.732) 12.207 5.893 ( -2.454 1.202 45.458) 45.540 6.109 ( 0.810 -2.822 35.545) 35.666 6.174 ( 2.433 -2.986 19.492) 19.869 6.225 ( -2.559 -1.397 24.803) 24.973 6.428 ( 1.097 0.952 9.751) 9.859 6.555 ( -1.090 -2.223 13.536) 13.761 6.695 ( 1.589 -0.195 25.527) 25.577 6.736 ( 2.233 1.587 19.506) 19.698 6.774 ( -0.996 -1.009 14.780) 14.848 6.818 ( 2.295 1.779 7.886) 8.404 7.012 ( 8.514 6.728 -2.631) 11.166 7.149 ( 0.666 1.086 11.032) 11.105 7.317 ( 6.390 -1.388 -1.754) 6.770 7.476 ( 2.532 -7.400 -8.650) 11.662 7.733 ( -3.780 0.678 -13.543) 14.077 7.820 ( -3.174 -0.308 -2.035) 3.783 7.911 ( -9.375 2.577 -9.339) 13.481 7.960 ( -3.161 1.561 -12.967) 13.438 8.057 ( -9.340 3.600 -6.751) 12.073 8.091 ( -6.882 0.800 -5.824) 9.051 8.779 ( 2.873 2.513 -16.720) 17.150 8.836 ( 1.470 -0.479 -17.689) 17.756 9.011 ( 1.073 0.418 -18.684) 18.720 9.076 ( 1.777 0.150 -18.542) 18.628 9.560 ( 3.052 6.392 17.213) 18.614 10.090 ( -9.942 2.229 15.152) 18.259 10.116 ( 4.599 -4.858 19.889) 20.984 10.558 ( -5.710 -8.188 12.165) 15.736 10.829 ( 3.000 3.757 -12.741) 13.618 10.930 ( 4.824 1.145 -2.257) 5.448 11.072 ( 6.470 2.907 17.344) 18.738 11.205 ( -7.269 2.478 -10.501) 13.010 11.308 ( 5.498 -1.104 -0.013) 5.608 11.396 ( -2.678 0.752 -6.435) 7.010 11.525 ( -4.017 2.523 10.775) 11.773 11.867 ( -4.315 -6.702 -6.107) 10.041 12.070 ( -1.391 2.494 -13.617) 13.913 12.272 ( -5.175 1.647 -14.809) 15.774 12.319 ( 3.650 -0.800 -15.269) 15.720 12.657 ( -1.708 -5.741 -19.581) 20.476 13.250 ( -0.717 0.383 -10.177) 10.209 13.377 ( 6.610 6.372 -9.620) 13.298 13.532 ( -3.417 -3.950 1.181) 5.355 13.702 ( 1.607 2.152 -4.357) 5.118 13.871 ( 5.766 -2.468 2.756) 6.851 13.935 ( 1.156 0.473 0.091) 1.252 14.073 ( 0.883 3.549 -5.048) 6.234 14.389 ( -1.368 -1.525 5.140) 5.533 14.415 ( -0.934 -0.587 2.796) 3.006 14.586 ( 2.729 -1.154 12.080) 12.438 14.591 ( -0.888 -1.496 12.615) 12.735 14.788 ( 0.519 -7.975 18.040) 19.731 14.964 ( 0.448 3.470 -1.253) 3.716 15.093 ( -2.975 3.995 6.290) 8.024 15.184 ( 2.940 3.735 5.517) 7.282 15.746 ( -8.433 -11.692 -0.572) 14.427 17.172 ( -3.023 2.052 15.236) 15.668 17.375 ( -9.967 -1.685 23.654) 25.723 18.299 ( 3.637 -1.282 14.555) 15.057 18.357 ( 2.223 -1.687 15.069) 15.325 19.232 ( 0.804 3.916 -37.193) 37.408 19.400 ( -2.374 -0.166 -32.542) 32.629 19.808 ( 0.870 0.855 -28.238) 28.265 19.903 ( -0.322 -0.660 -26.541) 26.551 25.717 ( 4.306 4.369 7.655) 9.810 25.921 ( 4.905 0.280 7.607) 9.056 26.237 ( -3.888 -4.336 5.553) 8.047 26.383 ( 5.088 -2.038 -7.216) 9.061 26.492 ( -0.059 1.940 0.411) 1.984 26.556 ( -1.297 1.097 -0.292) 1.724 26.926 ( -4.028 4.489 -9.250) 11.043 27.333 ( -16.719 -4.930 -10.885) 20.550 28.033 ( 7.038 1.375 4.675) 8.561 28.165 ( 6.435 2.493 -0.932) 6.964 28.311 ( 12.941 -5.994 5.297) 15.214 28.569 ( 13.493 0.425 -3.308) 13.899 28.607 ( -2.022 3.860 6.918) 8.176 28.898 ( -4.797 -0.670 11.340) 12.331 28.937 ( -8.266 -2.601 10.193) 13.378 29.189 ( 4.448 -0.849 9.531) 10.552 29.289 ( 2.171 8.671 -4.241) 9.894 29.456 ( 3.433 -0.770 11.105) 11.649 29.591 ( 2.784 -1.334 6.234) 6.957 29.638 ( -0.533 0.502 -3.184) 3.267 29.723 ( 0.141 4.048 3.698) 5.485 29.948 ( -2.705 -0.129 9.954) 10.315 30.376 ( -5.636 -2.042 -6.360) 8.740 30.572 ( -7.684 -5.978 -27.505) 29.177 ======================= Grid point 82 (33/45) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 9.585 -7.685 8.295) 14.824 1.675 ( 4.845 -10.790 3.493) 12.333 1.719 ( 3.950 -0.811 6.365) 7.535 1.820 ( -1.517 -5.494 0.032) 5.699 1.849 ( -3.789 -4.033 3.013) 6.301 1.883 ( -9.780 -1.035 3.827) 10.553 2.073 ( 3.114 -1.182 1.486) 3.648 2.163 ( -3.058 -2.856 1.582) 4.474 2.235 ( -0.006 -1.666 -1.237) 2.075 2.334 ( -4.809 1.212 -2.783) 5.687 2.502 ( 0.203 1.053 -5.501) 5.604 2.539 ( -1.207 3.427 1.404) 3.895 2.681 ( 2.942 -2.614 -2.088) 4.455 2.729 ( -0.172 -5.359 -1.194) 5.493 2.883 ( 2.547 -1.125 -0.810) 2.900 2.950 ( -0.427 1.573 -0.718) 1.781 3.108 ( 2.192 -3.185 4.999) 6.320 3.178 ( -5.327 -10.217 6.470) 13.215 3.650 ( 10.307 12.151 10.376) 19.015 3.689 ( 5.018 7.527 3.259) 9.615 3.786 ( -2.303 3.927 -1.100) 4.684 3.873 ( -8.928 8.213 6.552) 13.788 4.089 ( 7.623 8.951 4.944) 12.755 4.166 ( 5.814 -1.748 2.363) 6.515 4.313 ( -6.867 4.712 5.484) 9.971 4.393 ( -6.172 -0.432 5.404) 8.215 4.780 ( 3.093 -7.996 0.334) 8.580 4.846 ( -3.594 -6.310 2.285) 7.613 4.974 ( 1.172 -0.832 1.613) 2.161 5.021 ( -2.894 1.844 3.898) 5.193 5.371 ( 7.102 -4.541 3.805) 9.249 5.442 ( 2.586 -1.822 6.368) 7.110 5.895 ( 4.493 2.041 38.138) 38.456 6.041 ( -7.206 1.723 30.723) 31.603 6.209 ( 1.347 -3.573 35.137) 35.344 6.220 ( 1.321 -1.018 25.873) 25.927 6.473 ( 1.538 -4.278 8.060) 9.254 6.522 ( -2.716 -4.534 8.713) 10.190 6.636 ( 0.367 -2.667 6.641) 7.166 6.712 ( -4.118 -1.667 4.518) 6.336 6.839 ( 4.907 1.732 23.657) 24.222 6.900 ( 0.402 2.149 21.240) 21.352 7.218 ( 10.700 5.156 -1.119) 11.930 7.256 ( 7.603 -1.221 13.233) 15.310 7.440 ( 3.537 0.128 4.447) 5.683 7.524 ( 0.006 -2.505 -0.264) 2.519 7.590 ( -7.322 1.368 -7.506) 10.575 7.730 ( -3.897 2.886 -10.406) 11.480 7.807 ( -3.481 0.871 -9.648) 10.294 7.838 ( -2.778 3.534 -7.813) 9.014 7.878 ( -5.441 1.154 -19.144) 19.936 7.933 ( -7.377 1.140 -5.597) 9.330 8.828 ( 1.678 2.648 -16.942) 17.230 8.848 ( -0.256 1.559 -17.468) 17.539 9.060 ( 2.657 -0.389 -18.561) 18.755 9.093 ( -0.333 -0.335 -18.186) 18.192 9.664 ( 7.252 4.834 17.082) 19.177 9.858 ( -11.177 3.353 16.380) 20.111 10.244 ( 7.405 -6.838 17.099) 19.849 10.409 ( -8.116 -8.071 14.319) 18.332 10.913 ( 5.317 3.481 -10.743) 12.482 11.046 ( -7.027 2.648 -9.310) 11.961 11.080 ( 8.422 1.469 -8.196) 11.843 11.220 ( 5.917 1.584 10.443) 12.107 11.269 ( -6.369 1.493 -4.395) 7.881 11.370 ( -5.233 1.489 11.014) 12.285 11.525 ( 8.287 -0.335 2.300) 8.606 11.725 ( -9.214 -3.938 -1.731) 10.169 12.067 ( 1.573 2.589 -17.067) 17.334 12.141 ( -5.507 1.771 -15.939) 16.956 12.445 ( 6.897 -2.827 -17.630) 19.141 12.579 ( -5.618 -4.396 -19.647) 20.902 13.297 ( 5.075 -2.759 -2.649) 6.355 13.422 ( -5.960 -4.028 -0.235) 7.197 13.536 ( 7.157 7.364 -6.627) 12.222 13.666 ( -4.873 6.142 -4.947) 9.271 13.951 ( 3.903 -1.583 -0.421) 4.232 14.004 ( 0.044 -1.784 -3.736) 4.141 14.137 ( 6.939 -0.365 -3.006) 7.571 14.293 ( -6.832 -3.405 -2.881) 8.160 14.446 ( 3.139 2.098 11.826) 12.414 14.525 ( -3.997 1.495 12.101) 12.831 14.688 ( 5.094 -5.504 15.239) 16.984 14.770 ( -2.450 -7.334 17.392) 19.034 14.982 ( 1.324 4.239 -0.012) 4.441 15.027 ( -3.034 4.948 2.875) 6.477 15.301 ( 8.768 0.356 5.971) 10.614 15.525 ( -11.864 -5.817 4.871) 14.082 17.129 ( -0.146 0.985 19.019) 19.046 17.192 ( -6.399 0.007 22.400) 23.296 18.367 ( 2.458 -1.148 13.542) 13.811 18.389 ( 0.414 -1.300 13.902) 13.968 19.266 ( 2.573 2.510 -36.260) 36.438 19.333 ( -3.636 1.139 -34.615) 34.824 19.841 ( 2.113 0.205 -27.307) 27.389 19.882 ( -1.634 -0.207 -26.718) 26.768 25.843 ( 7.577 2.216 9.440) 12.306 25.988 ( -3.330 -0.258 8.495) 9.128 26.171 ( 3.689 -0.016 11.133) 11.729 26.341 ( -9.047 -1.591 10.406) 13.880 26.588 ( 8.047 0.688 -12.849) 15.177 26.611 ( 4.276 0.162 -13.276) 13.948 26.849 ( -1.364 1.285 -10.456) 10.622 27.002 ( -14.270 -2.143 -10.481) 17.835 28.211 ( 9.235 2.096 6.375) 11.416 28.354 ( 3.454 -0.356 5.187) 6.242 28.423 ( 4.232 2.685 4.652) 6.838 28.636 ( 7.125 -2.203 8.533) 11.332 28.681 ( -12.314 0.499 4.124) 12.996 28.792 ( -6.780 -2.528 11.524) 13.607 28.888 ( 12.672 3.890 -0.947) 13.290 29.113 ( -8.458 4.265 -0.817) 9.508 29.485 ( 9.266 -1.504 3.258) 9.936 29.535 ( 3.164 -1.716 8.259) 9.010 29.610 ( 0.711 0.079 -0.935) 1.178 29.653 ( 0.121 0.984 8.284) 8.343 29.754 ( 3.783 0.043 5.072) 6.327 29.867 ( -5.309 0.035 8.104) 9.688 30.278 ( -1.452 -1.769 -13.581) 13.772 30.375 ( -9.595 -4.269 -24.896) 27.020 ======================= Grid point 85 (34/45) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 -4.576 19.329) 19.864 1.204 ( 0.000 -15.758 3.015) 16.044 1.780 ( 0.000 -1.779 -5.645) 5.919 1.786 ( 0.000 2.058 3.766) 4.291 1.817 ( 0.000 0.676 1.587) 1.725 1.890 ( 0.000 -2.815 8.980) 9.411 2.098 ( 0.000 -1.778 0.660) 1.897 2.136 ( 0.000 -3.095 1.378) 3.387 2.383 ( 0.000 3.578 3.915) 5.303 2.421 ( 0.000 2.123 9.542) 9.775 2.487 ( 0.000 1.777 3.652) 4.061 2.535 ( 0.000 -6.148 2.134) 6.508 2.684 ( 0.000 1.114 9.360) 9.426 2.811 ( 0.000 -8.945 3.588) 9.638 2.907 ( 0.000 10.821 -4.311) 11.648 3.055 ( 0.000 6.281 -0.005) 6.281 3.058 ( 0.000 6.209 -6.605) 9.066 3.147 ( 0.000 -11.328 -4.015) 12.019 3.574 ( 0.000 5.340 -11.292) 12.491 3.623 ( 0.000 -0.587 -12.604) 12.617 3.826 ( 0.000 6.454 8.268) 10.489 3.988 ( 0.000 -2.379 5.820) 6.288 4.005 ( 0.000 6.108 9.725) 11.484 4.168 ( 0.000 -4.484 9.363) 10.382 4.406 ( 0.000 3.710 8.872) 9.616 4.519 ( 0.000 -7.550 3.662) 8.391 4.625 ( 0.000 4.568 6.738) 8.141 4.793 ( 0.000 -9.412 8.978) 13.008 5.055 ( 0.000 1.675 -4.833) 5.115 5.065 ( 0.000 3.086 0.008) 3.086 5.106 ( 0.000 -3.482 2.017) 4.024 5.125 ( 0.000 -2.204 -1.727) 2.800 5.967 ( 0.000 2.491 48.216) 48.280 6.025 ( 0.000 -3.274 44.134) 44.256 6.105 ( 0.000 0.413 13.594) 13.600 6.154 ( 0.000 -4.043 9.668) 10.479 6.567 ( 0.000 3.005 26.650) 26.819 6.603 ( 0.000 -1.490 37.305) 37.335 6.606 ( 0.000 1.959 25.745) 25.820 6.639 ( 0.000 -0.568 12.274) 12.287 6.867 ( 0.000 0.733 9.538) 9.566 6.869 ( 0.000 1.322 6.116) 6.257 7.012 ( 0.000 7.023 -5.031) 8.639 7.159 ( 0.000 -6.004 -9.133) 10.930 7.231 ( 0.000 2.843 3.126) 4.225 7.295 ( 0.000 -4.255 0.191) 4.259 7.854 ( 0.000 1.552 -16.778) 16.850 7.867 ( 0.000 1.998 -10.649) 10.835 7.919 ( 0.000 -0.521 -4.654) 4.683 7.985 ( 0.000 -4.865 -2.408) 5.428 8.231 ( 0.000 2.981 -9.009) 9.489 8.240 ( 0.000 1.865 -9.357) 9.542 8.765 ( 0.000 0.684 -18.318) 18.331 8.784 ( 0.000 -1.247 -18.458) 18.501 9.039 ( 0.000 0.756 -18.373) 18.389 9.046 ( 0.000 0.106 -19.365) 19.365 9.724 ( 0.000 10.662 20.114) 22.765 9.934 ( 0.000 -8.720 21.064) 22.797 10.285 ( 0.000 5.850 11.537) 12.935 10.442 ( 0.000 -8.637 10.685) 13.739 10.861 ( 0.000 2.718 -6.782) 7.306 10.894 ( 0.000 -0.529 1.074) 1.197 11.101 ( 0.000 5.491 10.489) 11.839 11.197 ( 0.000 -3.260 3.787) 4.997 11.362 ( 0.000 2.390 -9.148) 9.455 11.395 ( 0.000 -0.910 -4.647) 4.735 11.643 ( 0.000 4.402 1.963) 4.820 11.762 ( 0.000 -7.000 -1.945) 7.266 12.128 ( 0.000 2.563 -14.238) 14.467 12.194 ( 0.000 -3.459 -14.572) 14.977 12.450 ( 0.000 4.599 -17.110) 17.717 12.551 ( 0.000 -5.199 -19.594) 20.272 13.332 ( 0.000 3.792 -8.993) 9.760 13.441 ( 0.000 -6.267 0.180) 6.269 13.453 ( 0.000 7.636 -4.675) 8.954 13.592 ( 0.000 -5.534 -1.450) 5.721 13.845 ( 0.000 4.119 -1.629) 4.430 13.922 ( 0.000 -2.788 1.401) 3.120 14.185 ( 0.000 6.453 -5.209) 8.293 14.313 ( 0.000 -5.810 -0.705) 5.853 14.449 ( 0.000 3.002 9.822) 10.271 14.515 ( 0.000 -2.908 8.137) 8.641 14.597 ( 0.000 0.462 14.635) 14.642 14.642 ( 0.000 -4.165 17.367) 17.859 15.067 ( 0.000 5.356 -0.334) 5.367 15.153 ( 0.000 -2.217 3.973) 4.550 15.269 ( 0.000 8.633 2.560) 9.004 15.515 ( 0.000 -14.790 0.974) 14.822 17.296 ( 0.000 5.242 18.165) 18.906 17.411 ( 0.000 -5.376 21.216) 21.887 18.243 ( 0.000 0.784 15.921) 15.940 18.279 ( 0.000 -2.364 15.744) 15.921 19.323 ( 0.000 4.182 -35.899) 36.142 19.391 ( 0.000 -2.359 -33.422) 33.505 19.837 ( 0.000 1.850 -28.507) 28.567 19.875 ( 0.000 -1.658 -27.598) 27.647 25.795 ( 0.000 5.238 4.096) 6.650 25.863 ( 0.000 -1.263 5.483) 5.627 26.203 ( 0.000 -1.148 -3.092) 3.299 26.226 ( 0.000 -3.428 -2.874) 4.473 26.570 ( 0.000 1.222 5.931) 6.055 26.581 ( 0.000 0.252 1.954) 1.970 27.149 ( 0.000 10.026 -9.209) 13.614 27.372 ( 0.000 -10.993 -11.502) 15.910 27.973 ( 0.000 1.594 5.034) 5.281 28.022 ( 0.000 -2.805 6.019) 6.641 28.204 ( 0.000 5.116 -3.673) 6.298 28.310 ( 0.000 -4.689 -4.347) 6.394 28.764 ( 0.000 6.601 10.342) 12.269 28.901 ( 0.000 -6.088 11.983) 13.441 29.007 ( 0.000 2.165 13.069) 13.247 29.060 ( 0.000 -2.563 14.089) 14.320 29.448 ( 0.000 1.752 10.972) 11.111 29.476 ( 0.000 2.119 4.460) 4.937 29.534 ( 0.000 3.741 -0.695) 3.805 29.626 ( 0.000 -2.573 -1.489) 2.973 29.856 ( 0.000 6.466 4.179) 7.699 29.953 ( 0.000 -2.497 7.323) 7.737 30.409 ( 0.000 0.695 -15.151) 15.167 30.500 ( 0.000 -7.315 -23.994) 25.084 ======================= Grid point 86 (35/45) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 9.233 -6.380 17.414) 20.717 1.287 ( 7.347 -11.868 4.099) 14.548 1.719 ( -1.644 -3.637 -4.475) 5.997 1.760 ( -2.540 4.448 11.726) 12.796 1.879 ( -0.518 -0.093 7.958) 7.975 1.946 ( 7.458 -0.942 -5.464) 9.293 1.991 ( -3.727 -4.705 1.495) 6.185 2.180 ( -10.019 -2.452 5.942) 11.904 2.275 ( 3.031 0.246 -1.214) 3.274 2.328 ( -7.499 1.075 -1.414) 7.707 2.555 ( 5.273 2.810 7.750) 9.786 2.631 ( 2.608 -3.418 5.646) 7.097 2.658 ( -2.513 1.423 7.663) 8.189 2.744 ( -6.063 -1.466 4.660) 7.786 2.860 ( -3.335 3.403 -8.216) 9.498 2.934 ( -1.693 0.615 -1.165) 2.145 3.084 ( -5.090 -8.778 -2.727) 10.507 3.185 ( 2.023 6.306 -5.570) 8.653 3.631 ( 5.882 3.203 -6.715) 9.484 3.660 ( 3.800 2.494 -10.882) 11.793 3.850 ( 2.224 1.098 6.138) 6.620 4.028 ( 4.489 3.567 4.821) 7.491 4.068 ( 4.578 3.571 10.398) 11.909 4.214 ( 2.639 3.245 10.211) 11.035 4.406 ( -0.051 0.358 7.038) 7.048 4.478 ( -3.683 -4.726 4.191) 7.312 4.615 ( -0.281 2.234 4.102) 4.680 4.762 ( -2.867 -8.684 4.960) 10.404 4.975 ( -3.930 -0.795 -0.865) 4.102 5.092 ( 2.966 0.819 -0.839) 3.189 5.141 ( 1.682 -2.683 1.204) 3.388 5.281 ( 10.639 0.395 4.751) 11.658 5.922 ( -2.709 1.187 39.245) 39.356 6.042 ( 0.973 -2.584 49.298) 49.375 6.138 ( 3.215 -0.567 12.952) 13.357 6.193 ( 1.640 -1.224 16.878) 17.002 6.420 ( -4.514 -0.641 21.123) 21.609 6.540 ( -5.545 -0.024 23.723) 24.362 6.689 ( 1.410 -0.200 28.217) 28.253 6.753 ( -3.339 -0.470 7.358) 8.094 6.781 ( -0.169 1.806 10.429) 10.586 6.834 ( 4.488 -0.431 9.093) 10.150 7.146 ( 8.855 4.783 5.093) 11.280 7.178 ( 0.312 2.158 0.618) 2.267 7.279 ( 7.799 -2.651 -4.278) 9.282 7.361 ( 3.972 -3.193 -0.238) 5.102 7.744 ( -5.727 0.336 -10.109) 11.623 7.800 ( -5.923 -0.619 -2.360) 6.406 7.935 ( -0.924 0.177 -16.588) 16.615 7.985 ( -1.299 0.284 -7.630) 7.745 8.127 ( -9.356 1.907 -8.782) 12.973 8.129 ( -9.419 2.126 -6.290) 11.524 8.812 ( 3.530 0.661 -18.054) 18.408 8.823 ( 2.950 -0.574 -18.194) 18.440 9.025 ( 0.504 0.602 -19.480) 19.496 9.079 ( 1.289 0.095 -18.126) 18.172 9.733 ( 1.324 9.033 20.134) 22.107 9.973 ( 3.566 -8.026 19.039) 20.968 10.178 ( -9.142 5.990 13.001) 16.985 10.370 ( -6.341 -8.876 12.097) 16.289 10.898 ( 2.566 2.188 -5.099) 6.113 10.943 ( 5.314 0.133 -4.501) 6.965 11.148 ( 4.857 3.524 8.914) 10.745 11.250 ( -6.732 0.948 -3.267) 7.543 11.278 ( 5.769 -1.242 1.885) 6.195 11.409 ( -1.949 0.379 -6.977) 7.254 11.594 ( -4.085 3.580 3.057) 6.233 11.732 ( -2.888 -5.433 -1.319) 6.293 12.094 ( -1.242 0.136 -14.365) 14.419 12.267 ( 4.547 -0.984 -16.572) 17.212 12.361 ( -6.736 3.432 -17.545) 19.105 12.538 ( -1.568 -4.680 -19.277) 19.899 13.273 ( -3.173 1.407 -3.645) 5.033 13.429 ( -0.749 -2.431 1.485) 2.945 13.545 ( 6.013 6.366 -5.574) 10.380 13.670 ( 6.047 -4.757 -4.458) 8.892 13.867 ( 0.906 1.401 1.162) 2.033 13.933 ( 1.921 -0.723 -2.543) 3.268 14.168 ( -1.531 5.152 -5.586) 7.751 14.297 ( -2.149 -5.142 -3.039) 6.348 14.456 ( 0.713 2.618 10.720) 11.058 14.519 ( 1.125 -3.193 13.152) 13.581 14.585 ( -0.375 -0.753 14.767) 14.791 14.669 ( 0.833 -2.666 17.069) 17.296 15.053 ( -0.452 4.036 0.010) 4.062 15.156 ( -0.237 0.333 2.439) 2.473 15.265 ( -0.064 6.399 1.626) 6.603 15.476 ( -3.622 -12.458 1.150) 13.025 17.234 ( -4.795 3.562 20.049) 20.920 17.322 ( -7.097 -3.142 22.688) 23.979 18.283 ( 3.262 -0.135 14.601) 14.962 18.320 ( 2.928 -1.469 14.963) 15.317 19.310 ( -0.641 2.781 -35.591) 35.705 19.388 ( -0.807 -0.850 -34.048) 34.068 19.827 ( -0.082 0.709 -28.179) 28.188 19.887 ( 0.378 -0.611 -27.654) 27.663 25.812 ( 2.266 3.713 6.131) 7.517 25.918 ( 4.417 -0.693 5.268) 6.910 26.167 ( -1.211 -1.984 5.241) 5.733 26.332 ( 5.417 -1.762 -1.927) 6.014 26.539 ( -0.810 1.752 -1.461) 2.421 26.564 ( -1.334 -0.268 -1.813) 2.267 27.049 ( -8.037 6.907 -9.219) 14.046 27.201 ( -12.637 -7.220 -10.150) 17.744 28.084 ( 8.892 3.420 5.557) 11.030 28.179 ( 9.330 -4.462 4.857) 11.426 28.227 ( 7.748 1.053 -0.278) 7.824 28.558 ( 17.917 -0.849 -7.086) 19.286 28.715 ( -4.390 5.948 9.578) 12.099 28.843 ( -5.332 -5.330 11.333) 13.611 28.903 ( -6.177 0.196 12.447) 13.897 29.166 ( 5.309 -0.762 11.444) 12.639 29.444 ( 1.346 1.354 7.317) 7.562 29.479 ( -1.060 5.209 4.126) 6.730 29.558 ( 2.914 -1.042 7.369) 7.993 29.627 ( -0.318 -1.149 -4.424) 4.582 29.822 ( -2.845 3.985 6.221) 7.917 29.939 ( -1.561 -0.876 6.057) 6.316 30.347 ( -5.384 0.385 -15.682) 16.585 30.429 ( -6.366 -6.459 -23.252) 24.958 ======================= Grid point 87 (36/45) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 10.573 -7.431 12.993) 18.325 1.450 ( 5.764 -7.561 6.344) 11.430 1.713 ( 1.654 -1.129 2.323) 3.067 1.743 ( 1.480 -0.631 5.949) 6.162 1.812 ( -5.622 0.435 5.146) 7.634 1.878 ( -10.204 -0.603 9.181) 13.740 1.995 ( 2.312 -3.612 1.176) 4.448 2.107 ( -4.787 -2.486 1.255) 5.539 2.227 ( 6.398 0.689 -6.161) 8.909 2.331 ( 0.942 -0.718 -2.809) 3.049 2.534 ( -5.223 1.096 0.457) 5.356 2.581 ( -7.195 1.509 3.838) 8.293 2.642 ( 0.270 -1.308 2.777) 3.082 2.670 ( -0.438 -1.035 1.176) 1.627 2.831 ( 4.033 -1.890 -1.131) 4.595 2.953 ( -5.290 -1.614 0.193) 5.534 3.019 ( 5.177 -3.130 -0.539) 6.073 3.140 ( -5.080 2.623 -4.086) 7.027 3.754 ( 4.240 1.737 -10.523) 11.477 3.769 ( 4.188 0.671 -10.449) 11.277 3.929 ( 5.894 5.271 12.451) 14.750 4.064 ( -4.783 5.654 13.488) 15.387 4.172 ( 7.574 3.103 3.131) 8.763 4.273 ( 2.250 6.755 5.002) 8.702 4.363 ( -3.960 0.718 6.713) 7.827 4.399 ( -3.372 -0.571 4.087) 5.329 4.638 ( 2.508 -3.203 0.746) 4.136 4.696 ( -2.974 -6.927 1.896) 7.774 4.954 ( 2.397 -0.689 2.881) 3.810 5.049 ( -5.170 0.950 5.679) 7.738 5.271 ( 8.536 -3.615 2.711) 9.658 5.404 ( -1.620 -1.348 6.972) 7.284 5.953 ( 7.031 3.033 29.942) 30.906 6.065 ( 0.387 -1.208 40.245) 40.265 6.140 ( -3.146 -0.687 41.367) 41.492 6.193 ( -1.188 -1.529 21.543) 21.630 6.405 ( -2.265 -1.799 15.228) 15.500 6.445 ( -0.180 -2.213 7.298) 7.628 6.596 ( -1.877 -0.954 7.124) 7.429 6.672 ( -4.983 -1.339 2.681) 5.814 6.855 ( 5.578 -0.056 19.538) 20.319 6.931 ( -0.193 0.503 16.425) 16.434 7.215 ( 5.558 -0.509 14.370) 15.416 7.336 ( -1.570 2.174 8.273) 8.696 7.428 ( 10.123 1.569 -0.106) 10.244 7.492 ( 11.501 -1.947 -1.721) 11.791 7.621 ( -4.774 0.987 -5.019) 6.997 7.777 ( 0.450 1.474 -14.496) 14.578 7.816 ( -11.741 -0.080 -5.421) 12.932 7.878 ( -5.434 0.490 -17.798) 18.616 7.935 ( -4.563 2.998 -8.683) 10.257 7.959 ( -6.015 0.694 -7.202) 9.409 8.871 ( 1.713 1.088 -17.883) 17.998 8.875 ( 1.405 0.696 -17.142) 17.214 9.057 ( 2.046 0.090 -19.580) 19.686 9.087 ( -0.580 -0.161 -18.318) 18.327 9.801 ( 5.650 7.262 18.681) 20.824 9.967 ( -9.975 6.431 15.803) 19.764 10.073 ( 5.995 -8.136 16.200) 19.094 10.217 ( -7.678 -8.885 13.888) 18.187 10.970 ( 4.760 1.493 -4.952) 7.029 11.078 ( 0.022 0.651 -6.228) 6.262 11.120 ( 1.741 1.405 -8.337) 8.632 11.252 ( -0.089 0.876 -8.663) 8.707 11.317 ( -0.719 2.875 7.552) 8.113 11.385 ( -0.468 -0.762 7.606) 7.658 11.536 ( 1.679 1.473 3.781) 4.391 11.642 ( -5.729 -3.264 1.151) 6.694 12.103 ( 2.431 0.760 -16.732) 16.925 12.198 ( -6.502 2.831 -18.651) 19.954 12.384 ( 5.089 -2.093 -17.976) 18.800 12.481 ( -3.926 -3.819 -19.830) 20.573 13.269 ( 2.941 -0.335 1.859) 3.496 13.363 ( -4.987 -1.579 3.189) 6.126 13.679 ( 6.014 5.831 -4.840) 9.674 13.756 ( -0.178 1.304 -6.133) 6.273 13.897 ( 4.026 -2.427 -0.293) 4.710 13.972 ( -0.651 -0.935 -5.419) 5.538 14.148 ( 1.092 1.176 -5.278) 5.517 14.221 ( -4.609 -2.878 -4.212) 6.875 14.492 ( 2.871 2.320 14.255) 14.725 14.544 ( -0.799 -0.704 16.461) 16.496 14.590 ( 1.931 -2.248 14.152) 14.458 14.646 ( -2.636 -3.829 17.160) 17.779 15.075 ( 2.432 3.855 0.107) 4.559 15.130 ( -2.296 3.884 1.043) 4.631 15.291 ( 2.964 -0.181 0.504) 3.012 15.380 ( -5.118 -6.900 1.024) 8.651 17.156 ( -1.679 1.283 22.893) 22.990 17.188 ( -4.690 -0.441 23.858) 24.319 18.347 ( 2.284 -0.598 13.453) 13.659 18.363 ( 0.796 -0.880 13.712) 13.763 19.314 ( 1.174 1.515 -35.314) 35.366 19.353 ( -2.257 0.510 -34.808) 34.885 19.845 ( 1.625 0.150 -27.828) 27.876 19.878 ( -1.216 -0.150 -27.636) 27.663 25.891 ( 5.021 1.791 8.556) 10.081 25.978 ( -1.255 -0.575 7.601) 7.725 26.171 ( 3.981 0.022 10.717) 11.432 26.310 ( -6.906 -0.978 10.392) 12.516 26.602 ( 5.777 0.519 -11.681) 13.042 26.612 ( 4.911 -0.049 -13.671) 14.526 26.886 ( -5.708 2.192 -9.834) 11.580 26.947 ( -10.520 -2.710 -10.723) 15.264 28.270 ( 8.111 3.313 7.071) 11.258 28.332 ( 4.754 -2.155 6.975) 8.712 28.464 ( 10.798 0.968 4.716) 11.823 28.623 ( -2.698 0.921 7.936) 8.433 28.684 ( -7.539 -0.439 7.288) 10.495 28.740 ( -6.803 -1.812 8.105) 10.736 28.962 ( 15.163 2.477 -4.301) 15.955 29.183 ( -5.044 1.557 1.590) 5.513 29.471 ( 1.519 0.690 5.222) 5.482 29.510 ( 0.831 -1.090 7.415) 7.540 29.614 ( 2.718 0.436 3.156) 4.187 29.634 ( 2.137 -1.544 11.082) 11.392 29.774 ( -0.146 0.948 3.761) 3.882 29.867 ( -5.897 -0.055 2.990) 6.613 30.245 ( -2.529 -0.732 -18.057) 18.248 30.285 ( -5.894 -3.348 -20.340) 21.439 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 0.000 5.561) 5.561 1.788 ( 0.000 0.000 8.806) 8.806 1.863 ( 0.000 0.000 1.524) 1.524 1.909 ( 0.000 0.000 -3.098) 3.098 1.916 ( 0.000 0.000 -4.408) 4.408 2.117 ( 0.000 0.000 -10.096) 10.096 2.164 ( 0.000 0.000 7.457) 7.457 2.229 ( 0.000 0.000 0.957) 0.957 2.357 ( 0.000 0.000 4.854) 4.854 2.415 ( 0.000 0.000 6.947) 6.947 2.429 ( 0.000 0.000 -1.248) 1.248 2.481 ( 0.000 0.000 -1.735) 1.735 2.512 ( 0.000 0.000 -5.141) 5.141 2.614 ( 0.000 0.000 -10.474) 10.474 2.909 ( 0.000 0.000 13.783) 13.783 3.179 ( 0.000 0.000 10.810) 10.810 3.215 ( 0.000 0.000 -12.332) 12.332 3.318 ( 0.000 0.000 11.026) 11.026 3.330 ( 0.000 0.000 0.624) 0.624 3.499 ( 0.000 0.000 -4.039) 4.039 3.811 ( 0.000 0.000 13.894) 13.894 3.903 ( 0.000 0.000 8.546) 8.546 4.137 ( 0.000 0.000 -12.346) 12.346 4.261 ( 0.000 0.000 -25.150) 25.150 4.307 ( 0.000 0.000 18.408) 18.408 4.623 ( 0.000 0.000 19.958) 19.958 4.685 ( 0.000 0.000 -16.593) 16.593 4.933 ( 0.000 0.000 0.481) 0.481 4.951 ( 0.000 0.000 0.854) 0.854 4.996 ( 0.000 0.000 -15.224) 15.224 5.264 ( 0.000 0.000 3.415) 3.415 5.275 ( 0.000 0.000 2.122) 2.122 6.399 ( 0.000 0.000 13.481) 13.481 6.434 ( 0.000 0.000 7.525) 7.525 6.554 ( 0.000 0.000 -4.568) 4.568 6.556 ( 0.000 0.000 16.349) 16.349 6.679 ( 0.000 0.000 9.701) 9.701 6.706 ( 0.000 0.000 9.070) 9.070 6.788 ( 0.000 0.000 -2.992) 2.992 6.998 ( 0.000 0.000 14.779) 14.779 7.078 ( 0.000 0.000 -16.179) 16.179 7.128 ( 0.000 0.000 10.720) 10.720 7.364 ( 0.000 0.000 26.705) 26.705 7.368 ( 0.000 0.000 -14.044) 14.044 7.383 ( 0.000 0.000 -21.999) 21.999 7.467 ( 0.000 0.000 35.436) 35.436 7.619 ( 0.000 0.000 33.013) 33.013 7.774 ( 0.000 0.000 -12.971) 12.971 7.823 ( 0.000 0.000 33.342) 33.342 7.871 ( 0.000 0.000 -12.394) 12.394 8.174 ( 0.000 0.000 7.636) 7.636 8.229 ( 0.000 0.000 12.128) 12.128 8.338 ( 0.000 0.000 -31.096) 31.096 8.370 ( 0.000 0.000 -16.344) 16.344 8.547 ( 0.000 0.000 -28.381) 28.381 8.612 ( 0.000 0.000 -21.416) 21.416 9.829 ( 0.000 0.000 21.837) 21.837 10.310 ( 0.000 0.000 -24.011) 24.011 10.515 ( 0.000 0.000 17.028) 17.028 10.554 ( 0.000 0.000 19.994) 19.994 10.762 ( 0.000 0.000 -7.271) 7.271 10.954 ( 0.000 0.000 -18.085) 18.085 11.019 ( 0.000 0.000 14.066) 14.066 11.273 ( 0.000 0.000 -10.057) 10.057 11.339 ( 0.000 0.000 8.350) 8.350 11.466 ( 0.000 0.000 25.341) 25.341 11.593 ( 0.000 0.000 -16.519) 16.519 11.838 ( 0.000 0.000 16.150) 16.150 11.922 ( 0.000 0.000 -18.732) 18.732 12.067 ( 0.000 0.000 0.529) 0.529 12.133 ( 0.000 0.000 -6.345) 6.345 12.269 ( 0.000 0.000 -26.054) 26.054 12.979 ( 0.000 0.000 -6.807) 6.807 12.979 ( 0.000 0.000 -6.139) 6.139 13.666 ( 0.000 0.000 2.941) 2.941 13.714 ( 0.000 0.000 -1.744) 1.744 13.748 ( 0.000 0.000 2.574) 2.574 13.840 ( 0.000 0.000 -6.462) 6.462 14.167 ( 0.000 0.000 10.297) 10.297 14.357 ( 0.000 0.000 -8.102) 8.102 14.602 ( 0.000 0.000 11.228) 11.228 14.807 ( 0.000 0.000 -8.313) 8.313 14.817 ( 0.000 0.000 11.742) 11.742 14.881 ( 0.000 0.000 11.950) 11.950 14.988 ( 0.000 0.000 -3.806) 3.806 15.070 ( 0.000 0.000 -5.946) 5.946 15.446 ( 0.000 0.000 18.355) 18.355 15.782 ( 0.000 0.000 -14.138) 14.138 17.631 ( 0.000 0.000 31.612) 31.612 18.093 ( 0.000 0.000 31.109) 31.109 18.373 ( 0.000 0.000 -39.216) 39.216 18.672 ( 0.000 0.000 23.223) 23.223 18.765 ( 0.000 0.000 -33.905) 33.905 18.772 ( 0.000 0.000 25.275) 25.275 19.200 ( 0.000 0.000 -28.065) 28.065 19.340 ( 0.000 0.000 -29.307) 29.307 25.798 ( 0.000 0.000 10.363) 10.363 26.028 ( 0.000 0.000 -12.128) 12.128 26.032 ( 0.000 0.000 8.437) 8.437 26.215 ( 0.000 0.000 -9.739) 9.739 26.609 ( 0.000 0.000 5.924) 5.924 26.741 ( 0.000 0.000 -7.251) 7.251 26.889 ( 0.000 0.000 19.071) 19.071 27.283 ( 0.000 0.000 -19.438) 19.438 28.028 ( 0.000 0.000 1.497) 1.497 28.055 ( 0.000 0.000 -1.179) 1.179 28.218 ( 0.000 0.000 5.022) 5.022 28.322 ( 0.000 0.000 -5.142) 5.142 28.762 ( 0.000 0.000 8.819) 8.819 28.955 ( 0.000 0.000 -9.857) 9.857 29.153 ( 0.000 0.000 9.376) 9.376 29.266 ( 0.000 0.000 0.629) 0.629 29.427 ( 0.000 0.000 11.181) 11.181 29.575 ( 0.000 0.000 -3.377) 3.377 29.587 ( 0.000 0.000 3.447) 3.447 29.589 ( 0.000 0.000 5.011) 5.011 29.820 ( 0.000 0.000 9.909) 9.909 30.177 ( 0.000 0.000 -23.932) 23.932 30.214 ( 0.000 0.000 10.325) 10.325 30.387 ( 0.000 0.000 -6.435) 6.435 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 1.250 0.000 6.793) 6.907 1.789 ( 1.030 0.000 5.280) 5.379 1.809 ( -1.875 0.000 3.733) 4.178 1.907 ( 0.758 0.000 -10.602) 10.629 1.946 ( 0.311 0.000 1.945) 1.970 2.053 ( -3.950 0.000 -1.765) 4.327 2.209 ( -2.970 0.000 -0.796) 3.075 2.241 ( 0.752 0.000 -1.158) 1.381 2.256 ( -5.938 0.000 4.894) 7.695 2.355 ( -7.351 0.000 -4.865) 8.815 2.420 ( -3.497 0.000 4.494) 5.694 2.480 ( 6.880 0.000 4.512) 8.228 2.567 ( -4.517 0.000 -8.803) 9.894 2.583 ( 6.787 0.000 -5.137) 8.512 2.938 ( 0.905 0.000 5.795) 5.865 3.002 ( -7.427 0.000 0.777) 7.468 3.376 ( 5.540 0.000 12.975) 14.109 3.421 ( 7.451 0.000 2.201) 7.770 3.439 ( 10.346 0.000 -1.180) 10.413 3.578 ( 7.060 0.000 -3.379) 7.827 3.800 ( -0.442 0.000 15.843) 15.850 3.925 ( 2.445 0.000 5.796) 6.291 4.077 ( -5.459 0.000 -3.888) 6.702 4.241 ( -2.292 0.000 -19.731) 19.863 4.305 ( 0.553 0.000 15.799) 15.809 4.669 ( 1.077 0.000 15.519) 15.556 4.677 ( -0.450 0.000 -17.213) 17.219 4.850 ( -5.442 0.000 -4.964) 7.366 4.909 ( -1.507 0.000 0.829) 1.720 5.085 ( 6.981 0.000 -14.277) 15.892 5.241 ( -3.017 0.000 7.987) 8.538 5.340 ( 5.051 0.000 -1.059) 5.161 6.415 ( -0.797 0.000 12.128) 12.154 6.479 ( 5.294 0.000 5.924) 7.945 6.559 ( -1.376 0.000 12.727) 12.801 6.594 ( 3.507 0.000 0.189) 3.512 6.675 ( 2.778 0.000 18.133) 18.345 6.802 ( 5.926 0.000 7.403) 9.483 6.806 ( 3.905 0.000 -3.482) 5.232 6.924 ( -5.595 0.000 11.610) 12.888 7.070 ( -5.066 0.000 16.555) 17.312 7.137 ( 4.843 0.000 -19.578) 20.168 7.316 ( -2.963 0.000 -15.964) 16.237 7.316 ( -2.230 0.000 20.177) 20.299 7.352 ( -3.836 0.000 -19.710) 20.080 7.489 ( 0.128 0.000 31.445) 31.445 7.655 ( -9.110 0.000 -13.259) 16.087 7.675 ( 4.951 0.000 34.645) 34.997 7.829 ( -5.543 0.000 -8.313) 9.991 7.869 ( 3.365 0.000 29.276) 29.468 8.114 ( -5.087 0.000 9.465) 10.746 8.179 ( -4.378 0.000 18.255) 18.773 8.365 ( 1.755 0.000 -29.325) 29.378 8.383 ( 0.947 0.000 -19.437) 19.460 8.553 ( 1.536 0.000 -27.436) 27.479 8.641 ( 1.782 0.000 -23.471) 23.538 9.875 ( 4.356 0.000 21.878) 22.308 10.352 ( 4.007 0.000 -23.675) 24.011 10.449 ( -9.229 0.000 20.502) 22.484 10.561 ( 4.102 0.000 16.562) 17.063 10.800 ( 2.627 0.000 -8.404) 8.805 10.866 ( -6.790 0.000 -17.776) 19.029 10.953 ( -5.609 0.000 14.054) 15.131 11.209 ( -5.646 0.000 -10.626) 12.033 11.379 ( 3.940 0.000 7.595) 8.556 11.518 ( 4.172 0.000 23.832) 24.195 11.617 ( 2.456 0.000 -15.749) 15.940 11.811 ( -2.542 0.000 16.627) 16.820 11.969 ( -8.275 0.000 1.007) 8.336 11.972 ( 4.228 0.000 -19.693) 20.142 12.040 ( -7.676 0.000 -7.576) 10.785 12.247 ( -2.184 0.000 -25.021) 25.116 13.079 ( 8.542 0.000 -5.202) 10.001 13.081 ( 8.572 0.000 -5.036) 9.942 13.593 ( -6.286 0.000 0.317) 6.294 13.613 ( -4.739 0.000 -1.091) 4.863 13.896 ( 4.558 0.000 -1.553) 4.816 13.898 ( 8.580 0.000 -1.129) 8.654 14.148 ( -1.894 0.000 9.317) 9.507 14.325 ( -3.091 0.000 -7.734) 8.329 14.615 ( 1.442 0.000 11.268) 11.359 14.814 ( 0.859 0.000 -7.772) 7.820 14.838 ( -2.451 0.000 11.388) 11.649 14.893 ( 5.443 0.000 12.545) 13.675 15.004 ( -1.851 0.000 -4.000) 4.407 15.097 ( 5.866 0.000 -6.385) 8.670 15.391 ( -5.149 0.000 17.748) 18.480 15.713 ( -6.537 0.000 -13.091) 14.632 17.633 ( 0.533 0.000 32.862) 32.866 17.992 ( -8.559 0.000 33.434) 34.512 18.389 ( 1.719 0.000 -39.465) 39.503 18.698 ( 2.349 0.000 22.759) 22.880 18.703 ( -5.477 0.000 -35.514) 35.934 18.786 ( 0.858 0.000 24.571) 24.585 19.221 ( 1.992 0.000 -27.820) 27.892 19.341 ( -0.170 0.000 -28.820) 28.820 25.869 ( 6.507 0.000 10.953) 12.740 26.084 ( 4.720 0.000 8.287) 9.537 26.110 ( 7.528 0.000 -12.614) 14.689 26.267 ( 4.628 0.000 -9.963) 10.985 26.512 ( -7.596 0.000 8.825) 11.643 26.689 ( -4.386 0.000 -8.843) 9.871 26.807 ( -8.302 0.000 14.897) 17.054 27.115 ( -13.903 0.000 -14.833) 20.330 28.085 ( 7.415 0.000 2.241) 7.746 28.118 ( 7.904 0.000 -1.098) 7.980 28.454 ( 16.800 0.000 1.770) 16.893 28.501 ( 13.970 0.000 -3.081) 14.306 28.705 ( -5.223 0.000 8.220) 9.739 28.878 ( -7.271 0.000 -8.164) 10.933 29.140 ( -2.389 0.000 8.126) 8.469 29.217 ( -4.840 0.000 1.681) 5.123 29.399 ( 0.722 0.000 7.931) 7.964 29.511 ( -0.901 0.000 -3.642) 3.752 29.687 ( 6.832 0.000 6.698) 9.567 29.712 ( 5.538 0.000 6.450) 8.501 29.776 ( -2.690 0.000 5.084) 5.752 30.101 ( -6.800 0.000 -23.171) 24.148 30.169 ( -4.232 0.000 9.446) 10.350 30.321 ( -6.023 0.000 -5.453) 8.125 ======================= Grid point 102 (39/45) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 7.171 0.000 7.027) 10.040 1.835 ( 3.901 0.000 2.970) 4.903 1.848 ( 4.610 0.000 1.806) 4.951 1.908 ( -2.074 0.000 1.550) 2.589 1.942 ( -7.651 0.000 4.122) 8.690 1.967 ( 3.907 0.000 -8.366) 9.233 1.985 ( -10.272 0.000 1.264) 10.349 2.120 ( -10.015 0.000 -7.549) 12.541 2.285 ( 2.603 0.000 0.934) 2.766 2.321 ( 3.582 0.000 -3.800) 5.222 2.344 ( -3.231 0.000 1.859) 3.728 2.425 ( -6.244 0.000 -5.744) 8.484 2.677 ( 9.127 0.000 2.074) 9.359 2.747 ( 8.156 0.000 -3.868) 9.026 2.853 ( -7.751 0.000 1.461) 7.888 2.893 ( -5.243 0.000 -1.559) 5.470 3.512 ( 6.304 0.000 10.283) 12.061 3.573 ( 1.614 0.000 5.380) 5.617 3.594 ( 8.479 0.000 1.662) 8.640 3.703 ( 0.917 0.000 -4.479) 4.572 3.818 ( 3.617 0.000 20.032) 20.356 3.940 ( -6.956 0.000 8.838) 11.247 4.013 ( 6.038 0.000 0.188) 6.041 4.151 ( -6.287 0.000 -8.512) 10.582 4.367 ( 6.337 0.000 10.227) 12.031 4.553 ( -9.938 0.000 6.880) 12.087 4.687 ( 1.763 0.000 -18.378) 18.462 4.749 ( -4.054 0.000 -14.284) 14.849 4.993 ( 7.709 0.000 9.680) 12.375 5.147 ( -6.273 0.000 12.086) 13.617 5.253 ( 8.355 0.000 -13.597) 15.959 5.379 ( -2.495 0.000 -9.599) 9.918 6.442 ( 3.557 0.000 18.808) 19.142 6.514 ( -2.601 0.000 18.311) 18.495 6.567 ( 3.946 0.000 1.278) 4.148 6.633 ( -1.157 0.000 2.568) 2.816 6.761 ( 3.184 0.000 11.443) 11.877 6.805 ( -3.245 0.000 9.988) 10.502 6.882 ( 1.207 0.000 13.265) 13.320 6.966 ( -4.806 0.000 26.149) 26.587 6.976 ( 10.638 0.000 -10.024) 14.617 7.189 ( -9.269 0.000 -21.156) 23.097 7.252 ( 6.413 0.000 -21.808) 22.731 7.337 ( 4.917 0.000 10.284) 11.399 7.356 ( 2.311 0.000 -13.068) 13.270 7.450 ( -4.166 0.000 21.214) 21.619 7.479 ( -3.667 0.000 -10.501) 11.123 7.641 ( -11.597 0.000 -5.083) 12.662 7.789 ( 5.802 0.000 29.187) 29.758 7.899 ( -2.806 0.000 21.855) 22.034 8.025 ( -0.664 0.000 22.807) 22.817 8.081 ( -4.382 0.000 27.946) 28.288 8.391 ( 0.788 0.000 -26.283) 26.295 8.397 ( 0.245 0.000 -23.310) 23.311 8.610 ( 3.171 0.000 -27.072) 27.257 8.655 ( -0.801 0.000 -25.562) 25.574 10.009 ( 8.582 0.000 22.030) 23.643 10.222 ( -11.558 0.000 21.611) 24.508 10.474 ( 7.738 0.000 -22.507) 23.800 10.661 ( -9.846 0.000 -20.310) 22.571 10.673 ( 6.475 0.000 15.370) 16.678 10.816 ( -7.108 0.000 14.370) 16.032 10.920 ( 6.452 0.000 -8.908) 11.000 11.067 ( -7.444 0.000 -10.214) 12.639 11.500 ( 7.280 0.000 6.041) 9.460 11.594 ( 1.283 0.000 18.611) 18.656 11.701 ( 5.839 0.000 -13.682) 14.876 11.745 ( -2.939 0.000 13.926) 14.233 11.789 ( -7.115 0.000 8.768) 11.292 11.856 ( -8.793 0.000 -10.960) 14.051 12.080 ( 5.277 0.000 -20.679) 21.342 12.180 ( -4.206 0.000 -22.948) 23.330 13.278 ( 9.535 0.000 -2.985) 9.991 13.283 ( 10.299 0.000 -3.443) 10.860 13.454 ( -7.433 0.000 -0.912) 7.489 13.478 ( -8.188 0.000 -3.010) 8.724 14.000 ( 5.010 0.000 3.080) 5.881 14.076 ( 8.330 0.000 -3.962) 9.224 14.090 ( -3.631 0.000 6.605) 7.537 14.229 ( -6.184 0.000 -6.410) 8.907 14.667 ( 3.627 0.000 11.179) 11.752 14.756 ( -4.619 0.000 11.190) 12.106 14.851 ( 2.860 0.000 -6.414) 7.023 14.928 ( -4.308 0.000 -5.109) 6.683 15.055 ( 9.190 0.000 13.996) 16.743 15.245 ( -8.642 0.000 16.093) 18.267 15.289 ( 11.330 0.000 -7.610) 13.649 15.527 ( -10.934 0.000 -10.433) 15.113 17.674 ( 3.908 0.000 35.219) 35.435 17.803 ( -8.412 0.000 35.927) 36.899 18.452 ( 4.448 0.000 -39.505) 39.754 18.570 ( -6.675 0.000 -38.168) 38.747 18.753 ( 2.503 0.000 22.588) 22.727 18.789 ( -0.791 0.000 23.328) 23.342 19.274 ( 2.778 0.000 -27.656) 27.795 19.322 ( -1.717 0.000 -28.044) 28.097 26.039 ( 9.003 0.000 11.725) 14.783 26.172 ( -0.288 0.000 9.171) 9.176 26.296 ( 8.667 0.000 -13.522) 16.062 26.371 ( 3.190 0.000 -10.570) 11.041 26.397 ( 0.956 0.000 10.834) 10.876 26.577 ( -12.336 0.000 10.756) 16.367 26.616 ( 0.332 0.000 -10.752) 10.757 26.801 ( -14.690 0.000 -11.209) 18.478 28.297 ( 11.706 0.000 4.621) 12.585 28.365 ( 14.486 0.000 -1.710) 14.587 28.527 ( -9.686 0.000 7.233) 12.089 28.657 ( -12.378 0.000 -4.720) 13.248 28.806 ( 13.695 0.000 2.267) 13.881 28.813 ( 13.739 0.000 -0.145) 13.739 29.029 ( -8.052 0.000 6.179) 10.149 29.065 ( -9.864 0.000 1.429) 9.967 29.520 ( 10.420 0.000 -0.141) 10.421 29.540 ( 3.457 0.000 -1.856) 3.924 29.643 ( -5.976 0.000 4.320) 7.374 29.740 ( -6.465 0.000 -0.204) 6.468 29.890 ( 7.983 0.000 4.302) 9.069 30.006 ( 2.868 0.000 -12.224) 12.556 30.049 ( -7.080 0.000 7.228) 10.117 30.160 ( -8.917 0.000 -4.309) 9.903 ======================= Grid point 105 (40/45) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.000 -8.954 6.915) 11.314 1.653 ( 0.000 -11.527 9.934) 15.217 1.766 ( 0.000 -8.109 -10.843) 13.540 1.789 ( 0.000 -8.981 -4.666) 10.121 1.934 ( 0.000 3.749 11.560) 12.153 2.122 ( 0.000 -1.064 -6.289) 6.378 2.135 ( 0.000 -2.462 7.266) 7.671 2.204 ( 0.000 -2.108 -0.227) 2.120 2.381 ( 0.000 4.034 4.275) 5.878 2.426 ( 0.000 2.069 -0.343) 2.097 2.504 ( 0.000 6.812 9.204) 11.450 2.593 ( 0.000 8.112 -5.202) 9.637 2.618 ( 0.000 7.952 -7.499) 10.930 2.723 ( 0.000 7.262 -10.870) 13.073 2.838 ( 0.000 -6.094 13.647) 14.946 3.098 ( 0.000 -5.210 15.706) 16.548 3.128 ( 0.000 -7.981 -8.121) 11.387 3.243 ( 0.000 -5.486 6.580) 8.566 3.357 ( 0.000 0.483 -7.785) 7.800 3.449 ( 0.000 -4.788 -9.047) 10.235 3.890 ( 0.000 6.768 14.916) 16.379 3.962 ( 0.000 5.435 8.436) 10.035 4.152 ( 0.000 0.240 -9.226) 9.229 4.273 ( 0.000 0.542 -19.225) 19.232 4.373 ( 0.000 6.654 16.599) 17.883 4.606 ( 0.000 -1.190 17.385) 17.426 4.708 ( 0.000 1.886 -12.430) 12.573 4.938 ( 0.000 -0.879 1.511) 1.748 4.961 ( 0.000 2.125 -0.503) 2.184 4.963 ( 0.000 -3.166 -15.669) 15.985 5.179 ( 0.000 -6.982 5.625) 8.966 5.232 ( 0.000 -4.430 0.155) 4.433 6.314 ( 0.000 -4.165 13.230) 13.870 6.387 ( 0.000 -3.492 6.490) 7.370 6.469 ( 0.000 -4.540 -0.817) 4.613 6.550 ( 0.000 -4.439 -1.141) 4.583 6.758 ( 0.000 5.982 18.802) 19.730 6.779 ( 0.000 5.768 8.077) 9.925 6.870 ( 0.000 6.201 -1.680) 6.425 7.009 ( 0.000 1.284 12.794) 12.859 7.091 ( 0.000 -0.134 -6.249) 6.251 7.119 ( 0.000 -0.309 6.856) 6.863 7.326 ( 0.000 -0.888 4.481) 4.568 7.360 ( 0.000 -1.535 -16.950) 17.019 7.406 ( 0.000 1.268 13.031) 13.092 7.469 ( 0.000 -0.194 36.472) 36.473 7.650 ( 0.000 2.697 27.235) 27.368 7.750 ( 0.000 -0.641 7.224) 7.253 7.897 ( 0.000 2.049 -12.489) 12.656 7.916 ( 0.000 6.635 9.414) 11.517 8.090 ( 0.000 -5.890 5.120) 7.804 8.204 ( 0.000 -2.029 12.032) 12.202 8.330 ( 0.000 -0.900 -30.162) 30.175 8.387 ( 0.000 -0.474 -16.409) 16.416 8.548 ( 0.000 0.760 -28.140) 28.151 8.606 ( 0.000 -0.524 -22.456) 22.462 9.927 ( 0.000 8.701 21.524) 23.216 10.354 ( 0.000 3.852 -15.744) 16.208 10.475 ( 0.000 -3.841 17.414) 17.833 10.607 ( 0.000 4.988 13.040) 13.961 10.724 ( 0.000 -3.891 -5.462) 6.707 10.966 ( 0.000 1.224 -17.729) 17.771 10.977 ( 0.000 -3.683 11.532) 12.106 11.227 ( 0.000 -4.114 -9.717) 10.552 11.365 ( 0.000 2.368 8.799) 9.112 11.491 ( 0.000 1.660 22.338) 22.399 11.611 ( 0.000 1.626 -15.040) 15.128 11.744 ( 0.000 -5.204 5.482) 7.559 11.975 ( 0.000 1.697 -9.660) 9.808 12.034 ( 0.000 -2.792 1.444) 3.143 12.132 ( 0.000 -0.179 -8.362) 8.364 12.183 ( 0.000 -5.806 -24.744) 25.417 13.062 ( 0.000 8.076 -2.697) 8.514 13.119 ( 0.000 10.549 -6.815) 12.559 13.621 ( 0.000 -4.432 2.878) 5.285 13.670 ( 0.000 -4.169 -1.842) 4.558 13.783 ( 0.000 3.327 3.079) 4.533 13.889 ( 0.000 4.603 -7.218) 8.561 14.128 ( 0.000 -3.734 9.440) 10.152 14.312 ( 0.000 -4.265 -8.152) 9.200 14.624 ( 0.000 2.008 11.193) 11.372 14.794 ( 0.000 -2.032 11.344) 11.525 14.803 ( 0.000 0.102 -2.483) 2.485 14.933 ( 0.000 4.613 6.756) 8.181 14.948 ( 0.000 -3.392 -1.656) 3.774 15.106 ( 0.000 3.512 -6.127) 7.063 15.384 ( 0.000 -5.636 14.376) 15.441 15.670 ( 0.000 -9.810 -12.110) 15.585 17.691 ( 0.000 5.358 32.160) 32.603 18.060 ( 0.000 -3.104 31.456) 31.608 18.431 ( 0.000 5.105 -38.091) 38.432 18.666 ( 0.000 -0.306 23.119) 23.121 18.738 ( 0.000 -2.177 -19.199) 19.322 18.755 ( 0.000 -1.915 10.038) 10.219 19.208 ( 0.000 0.805 -28.741) 28.752 19.322 ( 0.000 -1.659 -29.549) 29.596 25.830 ( 0.000 2.847 9.026) 9.464 26.018 ( 0.000 -1.376 7.342) 7.470 26.035 ( 0.000 0.708 -10.936) 10.959 26.175 ( 0.000 -3.226 -8.240) 8.848 26.645 ( 0.000 3.041 6.607) 7.274 26.798 ( 0.000 5.217 -8.282) 9.789 26.864 ( 0.000 -2.259 17.672) 17.816 27.231 ( 0.000 -4.781 -18.027) 18.651 28.027 ( 0.000 0.372 2.413) 2.442 28.072 ( 0.000 1.713 -2.092) 2.704 28.190 ( 0.000 -2.578 4.870) 5.511 28.291 ( 0.000 -2.819 -5.143) 5.865 28.835 ( 0.000 6.470 10.296) 12.161 29.055 ( 0.000 8.417 -10.877) 13.753 29.171 ( 0.000 1.436 8.903) 9.018 29.242 ( 0.000 -2.105 4.248) 4.741 29.419 ( 0.000 -0.474 10.768) 10.778 29.565 ( 0.000 -0.887 -3.307) 3.424 29.577 ( 0.000 -1.050 3.467) 3.623 29.613 ( 0.000 1.071 1.576) 1.906 29.848 ( 0.000 3.268 8.253) 8.877 30.143 ( 0.000 -2.603 -21.235) 21.394 30.181 ( 0.000 -3.048 9.085) 9.583 30.335 ( 0.000 -4.737 -5.997) 7.643 ======================= Grid point 106 (41/45) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 3.987 -7.076 7.605) 11.127 1.682 ( 3.046 -8.781 7.305) 11.821 1.772 ( 0.226 -8.670 -4.240) 9.654 1.817 ( 3.573 -2.223 -7.140) 8.288 1.920 ( -1.092 0.501 8.226) 8.313 2.039 ( -5.300 -1.356 -0.002) 5.471 2.156 ( -0.036 -4.130 2.804) 4.992 2.206 ( -0.535 -0.370 -2.883) 2.956 2.321 ( -8.147 2.095 5.062) 9.818 2.376 ( -2.664 -1.069 5.216) 5.954 2.453 ( -7.534 8.331 -6.786) 13.123 2.557 ( -4.208 2.882 -9.438) 10.728 2.590 ( 4.498 6.774 6.064) 10.143 2.734 ( 1.389 8.246 -6.960) 10.880 2.894 ( 0.986 -4.168 6.456) 7.748 2.966 ( -3.822 -1.696 2.116) 4.686 3.224 ( 2.027 -9.320 11.518) 14.955 3.302 ( 5.686 -9.670 1.965) 11.389 3.457 ( 6.586 -0.990 -6.199) 9.098 3.501 ( 4.826 -6.764 -8.769) 12.080 3.901 ( 2.314 7.882 13.389) 15.708 4.024 ( 4.802 4.675 6.736) 9.502 4.129 ( -0.264 4.435 -5.051) 6.726 4.251 ( -3.853 6.714 -3.194) 8.374 4.384 ( 1.982 2.743 4.546) 5.667 4.583 ( -2.129 -3.387 3.991) 5.651 4.731 ( -1.128 1.044 -0.295) 1.565 4.853 ( -6.469 -0.813 -4.780) 8.085 4.901 ( 0.142 -0.166 0.079) 0.232 5.060 ( 6.911 -2.378 -12.833) 14.769 5.206 ( -0.445 -2.930 7.122) 7.714 5.305 ( 6.100 -2.771 -1.676) 6.906 6.360 ( 1.884 -5.340 5.092) 7.615 6.370 ( 0.622 -3.992 10.298) 11.062 6.479 ( 3.050 -5.635 6.427) 9.075 6.615 ( 1.904 -1.559 1.109) 2.699 6.759 ( 0.264 3.768 12.341) 12.906 6.803 ( 2.905 2.952 12.316) 12.993 6.886 ( -0.253 3.515 5.521) 6.550 6.945 ( -1.674 3.967 5.423) 6.925 7.055 ( -4.793 -1.122 16.576) 17.291 7.156 ( 4.604 0.710 -14.189) 14.934 7.302 ( -1.699 -0.887 -13.355) 13.492 7.319 ( -1.809 1.054 7.638) 7.919 7.378 ( -2.234 1.407 -3.677) 4.527 7.496 ( 0.328 0.465 31.408) 31.413 7.684 ( -4.183 2.282 1.359) 4.955 7.698 ( 1.172 2.102 20.544) 20.684 7.822 ( -3.625 0.342 3.054) 4.752 7.937 ( -0.804 4.750 12.138) 13.059 8.049 ( -3.233 -4.899 8.108) 10.010 8.156 ( -4.268 -1.549 17.124) 17.715 8.362 ( 2.236 -0.302 -28.746) 28.835 8.408 ( 1.658 0.577 -19.235) 19.315 8.544 ( 0.848 -0.238 -27.352) 27.366 8.637 ( 1.768 -0.317 -24.247) 24.313 9.961 ( 3.333 7.744 21.607) 23.194 10.352 ( -0.789 0.805 -5.054) 5.178 10.505 ( -1.100 -2.051 16.767) 16.927 10.538 ( -1.227 4.013 2.662) 4.970 10.758 ( 2.114 -3.991 -3.359) 5.628 10.879 ( -5.496 0.779 -11.879) 13.112 10.933 ( -4.543 -1.038 3.330) 5.728 11.172 ( -5.029 -3.341 -10.997) 12.545 11.406 ( 3.818 2.351 7.584) 8.810 11.532 ( 3.228 1.045 21.276) 21.545 11.631 ( 2.263 1.041 -12.838) 13.078 11.751 ( -0.039 -4.212 9.514) 10.405 11.956 ( -6.789 -1.166 0.904) 6.947 11.993 ( 1.814 0.490 -13.221) 13.354 12.033 ( -7.641 -0.454 -10.278) 12.815 12.183 ( -1.028 -4.513 -22.902) 23.365 13.131 ( 6.147 6.076 -0.574) 8.662 13.205 ( 7.466 8.961 -6.862) 13.532 13.574 ( -4.479 -1.580 2.769) 5.498 13.636 ( -2.457 0.645 -3.032) 3.955 13.874 ( 6.324 -1.021 0.279) 6.412 13.913 ( 2.957 1.662 -3.350) 4.768 14.112 ( -1.597 -3.376 8.034) 8.859 14.281 ( -3.025 -4.168 -7.776) 9.327 14.640 ( 1.681 2.259 11.315) 11.660 14.806 ( 0.454 0.190 1.470) 1.550 14.854 ( 5.121 -2.395 10.035) 11.518 14.902 ( -2.333 4.179 4.408) 6.507 14.999 ( 2.861 -1.940 -0.646) 3.517 15.094 ( 0.554 1.759 -6.306) 6.570 15.337 ( -4.316 -5.010 12.933) 14.526 15.610 ( -5.681 -9.024 -11.485) 15.672 17.686 ( -0.137 4.651 33.367) 33.690 17.974 ( -7.329 -1.781 33.607) 34.443 18.441 ( 1.105 4.494 -38.798) 39.073 18.690 ( 0.843 -0.755 12.218) 12.270 18.693 ( -3.105 -1.001 -24.798) 25.012 18.767 ( 0.991 -1.640 24.106) 24.182 19.223 ( 1.567 0.267 -28.355) 28.399 19.325 ( 0.042 -1.375 -29.095) 29.127 25.896 ( 6.019 2.366 9.899) 11.824 26.071 ( 4.804 -1.261 7.329) 8.854 26.115 ( 7.309 0.453 -11.261) 13.433 26.228 ( 4.706 -2.922 -8.000) 9.731 26.555 ( -7.200 3.323 7.703) 11.056 26.721 ( -6.119 2.511 -5.095) 8.349 26.793 ( -7.543 -0.873 9.872) 12.455 27.073 ( -13.057 -3.858 -14.062) 19.573 28.105 ( 8.390 2.021 2.577) 9.007 28.143 ( 8.321 2.328 -1.298) 8.738 28.388 ( 14.128 -4.939 3.229) 15.311 28.471 ( 14.234 -2.829 -4.984) 15.345 28.779 ( -4.821 6.262 9.368) 12.256 28.958 ( -7.884 6.103 -6.183) 11.732 29.145 ( -4.856 -0.580 8.468) 9.779 29.227 ( -2.059 2.333 -0.139) 3.115 29.397 ( 0.908 -0.242 8.478) 8.530 29.515 ( -0.050 0.215 -3.157) 3.165 29.655 ( 2.961 -2.647 5.331) 6.647 29.716 ( 7.435 -0.651 2.799) 7.971 29.816 ( -2.217 4.213 5.892) 7.575 30.069 ( -6.551 -2.299 -19.464) 20.665 30.141 ( -3.806 -2.660 7.624) 8.927 30.275 ( -5.533 -4.247 -5.165) 8.680 ======================= Grid point 107 (42/45) ======================= q-point: ( 0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 7.260 -5.022 7.634) 11.671 1.781 ( 5.360 -4.981 4.840) 8.773 1.807 ( 3.553 -5.237 0.343) 6.338 1.869 ( -0.810 0.044 5.000) 5.066 1.907 ( -6.965 -2.029 2.767) 7.764 1.939 ( 3.075 1.235 -3.207) 4.611 2.056 ( -7.021 2.335 -2.497) 7.809 2.148 ( -4.573 1.369 -3.871) 6.146 2.240 ( -1.961 -1.869 1.478) 3.086 2.292 ( -4.471 -2.731 4.107) 6.657 2.342 ( 2.101 0.456 -6.720) 7.056 2.441 ( -6.013 0.751 -8.592) 10.514 2.717 ( 5.843 3.772 4.515) 8.292 2.797 ( 2.549 3.518 0.363) 4.359 2.839 ( -2.212 0.151 0.857) 2.377 2.913 ( -3.784 1.437 -3.086) 5.090 3.298 ( 4.295 -12.219 12.970) 18.330 3.357 ( -0.532 -13.454 10.536) 17.097 3.566 ( 3.826 -6.223 -10.751) 12.998 3.592 ( 1.972 -8.155 -10.399) 13.361 3.990 ( 5.689 10.701 13.672) 18.270 4.099 ( -2.369 11.038 7.901) 13.780 4.166 ( 3.785 9.013 2.446) 10.077 4.187 ( 0.837 4.363 -1.082) 4.572 4.413 ( 1.159 3.663 6.315) 7.392 4.507 ( -6.267 -3.531 4.632) 8.555 4.657 ( -0.788 -2.090 -10.154) 10.397 4.723 ( -5.549 -2.416 -11.443) 12.945 5.007 ( 7.565 0.835 7.372) 10.596 5.148 ( -5.208 0.056 10.216) 11.467 5.230 ( 8.618 -2.021 -11.971) 14.888 5.360 ( -2.293 -1.613 -9.050) 9.474 6.394 ( 4.725 -3.823 12.821) 14.189 6.452 ( 3.146 -4.238 6.971) 8.743 6.544 ( 1.715 -3.691 9.089) 9.959 6.573 ( -4.051 -3.194 2.889) 5.913 6.753 ( -1.663 -2.193 6.195) 6.778 6.780 ( -4.812 -0.819 13.675) 14.520 6.881 ( 4.151 1.597 19.454) 19.956 6.969 ( -3.655 0.273 24.897) 25.165 7.061 ( 8.056 5.289 -9.490) 13.526 7.205 ( -4.004 -0.070 -16.630) 17.106 7.277 ( 3.198 2.641 -17.371) 17.859 7.341 ( 0.437 -0.097 -6.839) 6.853 7.395 ( 6.368 3.374 1.100) 7.290 7.467 ( -2.826 1.703 17.750) 18.054 7.526 ( -4.173 3.951 -5.932) 8.259 7.669 ( -10.712 2.239 -4.042) 11.666 7.798 ( 5.051 0.819 28.000) 28.463 7.904 ( -3.932 0.381 21.459) 21.820 8.001 ( 0.711 -2.271 19.850) 19.992 8.063 ( -4.049 -0.922 26.546) 26.869 8.403 ( 1.649 0.970 -25.894) 25.965 8.425 ( -0.315 1.960 -22.956) 23.041 8.597 ( 3.440 -1.021 -27.008) 27.246 8.648 ( -1.002 -0.534 -25.653) 25.678 10.068 ( 7.037 5.409 21.828) 23.563 10.242 ( -8.985 2.122 20.013) 22.039 10.495 ( 3.708 0.350 -10.150) 10.812 10.578 ( -1.120 -4.802 -0.413) 4.948 10.726 ( -0.499 2.036 -0.914) 2.287 10.808 ( -5.760 0.524 1.794) 6.056 10.906 ( 5.390 -1.453 -9.750) 11.234 11.041 ( -6.984 -2.408 -11.453) 13.629 11.517 ( 6.336 1.480 6.645) 9.301 11.589 ( 1.157 -0.141 14.989) 15.034 11.711 ( 4.614 0.148 -2.182) 5.106 11.728 ( -0.869 -1.403 10.977) 11.100 11.798 ( -6.731 1.212 0.583) 6.864 11.860 ( -7.876 0.254 -10.504) 13.131 12.059 ( 3.907 -1.759 -19.185) 19.658 12.137 ( -3.294 -3.552 -21.676) 22.210 13.288 ( 8.394 2.853 2.194) 9.133 13.382 ( 8.569 6.625 -6.386) 12.574 13.454 ( -6.809 1.060 2.580) 7.358 13.545 ( -6.362 4.659 -5.882) 9.838 13.975 ( 4.246 -2.130 2.406) 5.324 14.030 ( 4.107 -3.705 1.147) 5.649 14.071 ( 0.109 -2.046 0.676) 2.157 14.188 ( -5.871 -3.726 -6.449) 9.484 14.696 ( 3.738 2.696 11.435) 12.329 14.780 ( -3.640 2.204 11.103) 11.891 14.887 ( 2.022 3.286 -5.493) 6.713 14.944 ( -1.414 0.320 -0.289) 1.479 15.024 ( 5.765 -1.563 9.436) 11.168 15.157 ( -2.372 -6.028 11.538) 13.232 15.272 ( 4.214 -2.922 -5.209) 7.310 15.449 ( -9.305 -6.794 -10.047) 15.287 17.708 ( 2.866 2.969 35.530) 35.769 17.813 ( -7.077 0.727 36.015) 36.711 18.486 ( 3.442 2.924 -39.235) 39.494 18.582 ( -5.528 0.919 -38.188) 38.597 18.741 ( 2.353 -0.939 22.664) 22.805 18.774 ( -0.609 -1.270 23.313) 23.355 19.268 ( 2.472 -0.438 -28.025) 28.137 19.312 ( -1.481 -0.936 -28.357) 28.411 26.053 ( 8.284 1.248 11.223) 14.005 26.163 ( 0.700 -0.804 8.903) 8.967 26.297 ( 8.520 -0.040 -11.219) 14.087 26.343 ( 5.694 -1.347 -5.998) 8.379 26.435 ( -2.033 2.270 4.540) 5.468 26.558 ( -10.430 -1.376 9.447) 14.140 26.635 ( -2.463 1.482 -9.760) 10.175 26.781 ( -13.436 -1.879 -10.947) 17.433 28.326 ( 11.698 2.696 4.944) 12.983 28.395 ( 14.267 2.629 -1.115) 14.550 28.539 ( -5.590 0.461 6.439) 8.540 28.665 ( -6.628 0.416 -5.042) 8.338 28.771 ( 9.236 -0.791 5.518) 10.788 28.864 ( 8.701 2.788 -2.376) 9.441 28.992 ( -9.365 -2.703 7.791) 12.479 29.097 ( -9.680 2.055 -2.079) 10.111 29.512 ( 7.853 0.085 1.855) 8.070 29.563 ( 4.978 1.214 -1.789) 5.428 29.637 ( -3.788 -0.602 3.638) 5.286 29.753 ( -7.455 0.942 -3.142) 8.145 29.876 ( 7.336 -1.079 5.593) 9.288 29.970 ( 0.337 -2.424 -4.813) 5.399 30.041 ( -4.282 -1.041 1.653) 4.707 30.128 ( -7.943 -2.803 -4.363) 9.486 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.000 -5.346 12.227) 13.344 1.417 ( 0.000 -8.224 13.934) 16.180 1.626 ( 0.000 -3.971 -10.477) 11.205 1.634 ( 0.000 -4.692 -8.298) 9.532 2.018 ( 0.000 3.554 8.170) 8.909 2.077 ( 0.000 -2.718 7.113) 7.614 2.103 ( 0.000 0.440 -0.979) 1.073 2.148 ( 0.000 -3.039 -0.649) 3.107 2.487 ( 0.000 6.608 7.318) 9.860 2.560 ( 0.000 8.389 4.331) 9.441 2.615 ( 0.000 0.167 8.757) 8.758 2.677 ( 0.000 -6.012 12.628) 13.986 2.749 ( 0.000 6.602 -5.967) 8.899 2.797 ( 0.000 7.191 -14.161) 15.882 2.827 ( 0.000 0.258 -6.461) 6.466 2.934 ( 0.000 -8.840 -10.400) 13.649 3.025 ( 0.000 -0.274 16.359) 16.361 3.116 ( 0.000 -6.657 6.070) 9.009 3.342 ( 0.000 -1.195 -13.370) 13.423 3.350 ( 0.000 -2.994 -13.902) 14.221 4.036 ( 0.000 5.961 11.560) 13.007 4.091 ( 0.000 3.687 4.620) 5.912 4.150 ( 0.000 1.778 0.805) 1.952 4.246 ( 0.000 -3.658 -6.519) 7.475 4.527 ( 0.000 5.992 10.243) 11.867 4.588 ( 0.000 -0.846 11.197) 11.229 4.766 ( 0.000 4.197 -5.887) 7.230 4.873 ( 0.000 -5.150 -12.691) 13.697 4.927 ( 0.000 0.814 2.184) 2.330 5.014 ( 0.000 -7.456 6.610) 9.964 5.019 ( 0.000 3.561 -3.276) 4.838 5.118 ( 0.000 -5.730 -2.631) 6.305 6.277 ( 0.000 0.482 9.014) 9.026 6.317 ( 0.000 -2.960 6.452) 7.098 6.412 ( 0.000 -0.550 -1.172) 1.295 6.448 ( 0.000 -3.878 -3.525) 5.240 6.859 ( 0.000 2.637 16.684) 16.891 6.864 ( 0.000 2.035 12.715) 12.877 6.986 ( 0.000 4.399 0.472) 4.424 7.056 ( 0.000 -2.560 2.464) 3.553 7.058 ( 0.000 3.074 7.429) 8.039 7.109 ( 0.000 -1.421 3.348) 3.637 7.328 ( 0.000 0.554 -5.437) 5.465 7.338 ( 0.000 -0.558 -12.755) 12.768 7.428 ( 0.000 1.152 29.499) 29.522 7.454 ( 0.000 -1.139 37.843) 37.860 7.713 ( 0.000 2.787 20.812) 20.998 7.746 ( 0.000 -0.344 14.013) 14.017 7.934 ( 0.000 1.336 -9.941) 10.030 7.981 ( 0.000 -3.814 -2.316) 4.462 8.060 ( 0.000 6.322 5.352) 8.283 8.156 ( 0.000 -2.844 10.505) 10.883 8.309 ( 0.000 -0.316 -28.199) 28.201 8.341 ( 0.000 -2.896 -21.038) 21.237 8.574 ( 0.000 1.209 -26.536) 26.564 8.593 ( 0.000 -0.689 -24.735) 24.745 10.147 ( 0.000 11.272 20.495) 23.390 10.353 ( 0.000 -7.934 18.833) 20.436 10.458 ( 0.000 6.060 -3.155) 6.832 10.602 ( 0.000 -7.230 -0.983) 7.297 10.745 ( 0.000 7.446 3.448) 8.206 10.881 ( 0.000 -5.404 4.642) 7.124 11.013 ( 0.000 3.495 -16.156) 16.529 11.116 ( 0.000 -5.955 -12.706) 14.032 11.428 ( 0.000 3.438 10.669) 11.209 11.492 ( 0.000 -2.047 15.906) 16.037 11.652 ( 0.000 1.961 -9.697) 9.893 11.680 ( 0.000 -1.141 -0.160) 1.152 11.961 ( 0.000 -1.622 -5.766) 5.990 11.971 ( 0.000 -2.514 0.731) 2.618 12.117 ( 0.000 -0.451 -19.739) 19.744 12.124 ( 0.000 -0.561 -13.156) 13.168 13.270 ( 0.000 10.908 1.842) 11.062 13.351 ( 0.000 10.732 -5.119) 11.890 13.481 ( 0.000 -8.820 3.037) 9.328 13.545 ( 0.000 -7.746 -2.951) 8.289 13.883 ( 0.000 6.045 4.782) 7.708 14.019 ( 0.000 -6.426 7.286) 9.715 14.022 ( 0.000 7.746 -8.402) 11.428 14.187 ( 0.000 -7.451 -8.469) 11.280 14.678 ( 0.000 2.970 10.986) 11.381 14.740 ( 0.000 -2.921 10.872) 11.257 14.820 ( 0.000 1.620 1.238) 2.039 14.872 ( 0.000 -3.321 1.192) 3.529 15.062 ( 0.000 7.536 4.805) 8.938 15.223 ( 0.000 7.890 -6.692) 10.345 15.232 ( 0.000 -8.345 7.831) 11.444 15.431 ( 0.000 -11.721 -8.559) 14.513 17.828 ( 0.000 7.141 32.647) 33.419 17.966 ( 0.000 -5.799 32.220) 32.738 18.557 ( 0.000 6.337 -35.900) 36.455 18.670 ( 0.000 0.824 23.115) 23.130 18.673 ( 0.000 -4.450 -36.077) 36.350 18.703 ( 0.000 -2.332 25.430) 25.537 19.234 ( 0.000 1.747 -29.756) 29.808 19.278 ( 0.000 -2.295 -29.949) 30.037 25.903 ( 0.000 3.792 6.582) 7.596 25.974 ( 0.000 -2.821 5.814) 6.462 26.059 ( 0.000 1.620 -8.399) 8.554 26.106 ( 0.000 -2.989 -7.010) 7.620 26.720 ( 0.000 3.936 9.783) 10.545 26.801 ( 0.000 -3.649 14.095) 14.560 26.938 ( 0.000 7.649 -11.040) 13.431 27.099 ( 0.000 -7.465 -14.638) 16.432 28.057 ( 0.000 2.499 3.558) 4.348 28.123 ( 0.000 -3.536 4.369) 5.620 28.129 ( 0.000 3.648 -3.626) 5.144 28.214 ( 0.000 -4.256 -4.742) 6.371 28.999 ( 0.000 8.449 12.390) 14.996 29.150 ( 0.000 -5.200 10.959) 12.130 29.215 ( 0.000 4.200 -4.602) 6.230 29.224 ( 0.000 1.354 5.729) 5.887 29.446 ( 0.000 4.665 3.439) 5.796 29.546 ( 0.000 -0.619 -2.688) 2.758 29.548 ( 0.000 -1.313 -0.394) 1.370 29.578 ( 0.000 -4.897 -2.583) 5.537 29.961 ( 0.000 6.842 5.487) 8.771 30.093 ( 0.000 -5.341 6.185) 8.172 30.118 ( 0.000 1.424 -12.296) 12.378 30.210 ( 0.000 -6.418 -6.131) 8.875 ======================= Grid point 111 (44/45) ======================= q-point: ( 0.20 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 5.872 -5.179 9.629) 12.410 1.500 ( 7.585 -6.119 14.524) 17.490 1.610 ( 1.727 -4.887 -6.169) 8.057 1.765 ( 9.134 -1.926 -11.324) 14.676 1.972 ( -4.217 2.919 7.119) 8.774 2.010 ( -5.171 -1.003 2.175) 5.699 2.080 ( -0.241 -2.920 6.807) 7.411 2.194 ( 1.772 -0.541 -4.059) 4.461 2.371 ( -8.785 1.648 7.793) 11.859 2.394 ( -10.282 2.370 10.357) 14.786 2.595 ( -8.758 2.778 -8.921) 12.806 2.621 ( -9.048 3.021 -9.228) 13.273 2.715 ( 5.623 3.209 6.741) 9.346 2.846 ( 3.090 2.116 3.920) 5.421 2.853 ( 0.700 1.681 0.597) 1.916 2.961 ( 0.982 1.438 -7.030) 7.242 3.038 ( 1.473 -6.506 9.743) 11.808 3.117 ( 0.060 -7.501 9.313) 11.958 3.357 ( 2.688 -4.924 -16.605) 17.527 3.417 ( 3.748 -1.669 -14.506) 15.075 4.017 ( 1.852 1.262 7.357) 7.691 4.094 ( 1.989 5.154 0.557) 5.553 4.255 ( 7.037 2.125 5.866) 9.405 4.357 ( 7.241 1.103 -2.342) 7.690 4.477 ( -4.125 8.596 9.815) 13.684 4.555 ( -3.881 0.248 5.176) 6.474 4.720 ( -4.510 -1.770 0.450) 4.866 4.762 ( -6.689 -6.268 -4.850) 10.371 4.932 ( -0.135 1.713 0.129) 1.723 5.003 ( 7.049 -1.962 -6.080) 9.513 5.148 ( 4.579 -1.991 4.093) 6.457 5.254 ( 8.091 -1.497 -4.393) 9.327 6.282 ( 0.908 -1.768 2.552) 3.235 6.312 ( -1.987 -1.472 3.660) 4.417 6.389 ( 4.549 -2.526 9.526) 10.854 6.553 ( 3.503 -2.345 -3.052) 5.204 6.806 ( -4.250 0.962 12.332) 13.079 6.870 ( 0.791 1.972 17.299) 17.429 6.925 ( -6.333 0.979 14.708) 16.044 7.034 ( -3.516 -0.267 16.837) 17.203 7.057 ( 2.409 4.192 -5.938) 7.658 7.146 ( 4.111 -1.531 -9.028) 10.037 7.289 ( -0.993 -0.325 -10.527) 10.579 7.354 ( -0.107 1.478 -8.582) 8.709 7.396 ( -0.382 0.401 17.979) 17.988 7.503 ( 1.241 0.134 33.354) 33.377 7.735 ( 1.087 2.220 16.503) 16.687 7.740 ( -1.410 1.321 8.958) 9.164 7.830 ( -5.339 -0.225 3.700) 6.499 7.959 ( -2.657 -2.218 -2.781) 4.440 8.036 ( -4.068 3.309 9.536) 10.882 8.124 ( -2.575 -1.296 17.746) 17.978 8.354 ( 3.304 -0.212 -27.542) 27.741 8.386 ( 4.375 -1.630 -23.068) 23.535 8.551 ( -0.496 0.457 -26.560) 26.568 8.632 ( 1.748 -0.110 -25.449) 25.509 10.161 ( 1.426 10.430 20.586) 23.122 10.348 ( -0.566 -5.481 15.020) 15.999 10.426 ( -2.099 -0.232 6.752) 7.075 10.634 ( -5.392 -1.196 12.959) 14.087 10.680 ( 3.086 1.279 -13.761) 14.161 10.862 ( -2.020 -1.657 1.047) 2.815 10.965 ( -4.207 3.619 -16.712) 17.610 11.081 ( -3.600 -4.941 -13.513) 14.832 11.467 ( 3.470 3.295 9.929) 11.022 11.532 ( 3.389 -1.749 15.596) 16.055 11.655 ( 0.692 1.336 -6.383) 6.558 11.684 ( 0.490 -1.807 2.333) 2.992 11.918 ( -3.976 -2.082 -0.517) 4.518 11.975 ( -1.073 -0.826 -9.322) 9.420 12.038 ( -4.154 0.401 -12.954) 13.610 12.118 ( -2.045 -1.434 -18.829) 18.994 13.286 ( 2.076 7.133 4.153) 8.512 13.401 ( 4.853 8.606 -6.154) 11.639 13.508 ( 0.989 -4.446 3.739) 5.892 13.591 ( 3.326 -4.831 -3.875) 7.030 13.895 ( 1.501 3.370 2.959) 4.729 13.979 ( -2.193 1.528 0.915) 2.825 14.030 ( -0.366 -0.971 -1.580) 1.890 14.163 ( -2.298 -6.581 -8.073) 10.666 14.701 ( 2.379 3.373 11.412) 12.135 14.781 ( 3.590 -3.516 11.378) 12.438 14.829 ( 1.197 1.105 4.145) 4.454 14.927 ( 4.342 -2.722 0.410) 5.141 15.030 ( -2.837 6.766 4.703) 8.714 15.188 ( -3.322 2.346 -1.428) 4.310 15.205 ( -2.091 -2.499 -0.087) 3.260 15.390 ( -3.879 -10.794 -8.751) 14.427 17.800 ( -2.102 5.506 33.875) 34.384 17.915 ( -4.414 -3.750 34.030) 34.519 18.546 ( -0.679 4.700 -37.514) 37.814 18.653 ( -2.122 -2.596 -37.182) 37.332 18.682 ( 1.561 -0.090 23.602) 23.654 18.730 ( 1.647 -1.447 24.475) 24.573 19.233 ( 0.531 0.576 -29.169) 29.180 19.294 ( 0.720 -1.275 -29.592) 29.628 25.956 ( 4.896 3.002 8.078) 9.911 26.031 ( 5.139 -2.357 6.055) 8.284 26.129 ( 6.441 0.796 -7.517) 9.931 26.173 ( 6.033 -1.938 -8.350) 10.482 26.624 ( -7.635 2.777 9.216) 12.286 26.721 ( -7.489 -1.913 11.024) 13.464 26.842 ( -8.095 5.093 -10.480) 14.188 26.969 ( -10.777 -5.597 -12.123) 17.159 28.168 ( 9.928 3.702 2.639) 10.919 28.200 ( 8.790 2.489 -0.886) 9.179 28.280 ( 12.203 -4.974 4.701) 13.991 28.405 ( 14.608 -2.642 -7.286) 16.536 28.926 ( -6.335 6.711 10.410) 13.912 29.057 ( -8.557 2.461 0.532) 8.920 29.091 ( -5.856 -4.016 12.379) 14.271 29.333 ( -4.165 5.771 -10.771) 12.910 29.391 ( 3.996 0.026 8.990) 9.838 29.518 ( 1.132 0.138 -2.680) 2.913 29.593 ( 1.848 -2.888 2.790) 4.421 29.667 ( 5.492 -3.083 -0.984) 6.375 29.937 ( -2.091 6.607 4.563) 8.297 30.047 ( -5.557 -0.466 -4.445) 7.131 30.066 ( -3.150 -3.216 -0.241) 4.509 30.166 ( -4.039 -5.199 -5.787) 8.766 ======================= Grid point 112 (45/45) ======================= q-point: ( 0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 7.578 -4.404 7.201) 11.344 1.669 ( 4.781 -4.134 13.107) 14.551 1.697 ( 6.474 -3.424 -2.351) 7.692 1.852 ( -6.893 -1.821 -1.365) 7.258 1.906 ( 0.899 1.841 5.106) 5.502 2.012 ( 9.648 3.023 -5.868) 11.690 2.073 ( -3.858 -0.297 4.415) 5.870 2.138 ( -3.457 -0.306 9.405) 10.025 2.227 ( -6.383 -2.346 8.658) 11.010 2.240 ( -2.661 0.063 -4.577) 5.295 2.390 ( -6.980 3.009 -10.576) 13.024 2.440 ( -7.545 -0.817 -10.033) 12.580 2.808 ( 2.760 3.509 7.297) 8.555 2.848 ( -1.339 2.125 6.702) 7.157 2.887 ( 2.704 3.109 2.211) 4.676 2.949 ( -2.349 1.580 -3.301) 4.348 3.083 ( 2.349 -7.714 9.611) 12.546 3.114 ( -0.577 -7.922 10.269) 12.983 3.425 ( 3.106 -4.921 -19.130) 19.996 3.461 ( 0.102 -3.725 -18.461) 18.834 4.138 ( 8.990 2.288 6.445) 11.296 4.201 ( 7.668 3.079 -0.392) 8.272 4.314 ( -4.941 3.745 8.410) 10.448 4.369 ( -7.071 5.509 2.776) 9.384 4.466 ( 0.457 1.827 4.946) 5.293 4.470 ( 1.856 2.137 4.249) 5.105 4.632 ( -2.263 -2.318 -2.855) 4.318 4.650 ( -4.061 -2.532 -5.207) 7.072 5.018 ( 7.088 0.142 6.152) 9.387 5.149 ( -3.433 0.265 6.535) 7.387 5.186 ( 8.557 -1.707 -7.686) 11.628 5.327 ( -2.527 -1.161 -8.485) 8.929 6.322 ( 6.056 -2.267 6.743) 9.342 6.387 ( 5.862 -1.465 0.318) 6.051 6.463 ( 0.126 -2.729 3.845) 4.716 6.512 ( -6.419 -2.149 4.689) 8.235 6.720 ( -2.230 -0.627 12.164) 12.382 6.777 ( -6.515 0.101 17.129) 18.327 6.915 ( 3.086 0.964 22.345) 22.578 6.973 ( -2.327 0.121 24.377) 24.488 7.142 ( 4.385 2.275 -8.925) 10.201 7.190 ( 0.029 -0.941 -14.500) 14.531 7.322 ( 1.688 1.094 -6.099) 6.422 7.342 ( -0.518 0.223 -16.108) 16.118 7.457 ( 6.748 1.911 3.191) 7.705 7.504 ( -0.308 1.185 17.679) 17.721 7.605 ( -4.783 2.514 -5.454) 7.677 7.711 ( -8.423 1.303 -1.305) 8.623 7.817 ( 3.105 0.790 25.081) 25.284 7.912 ( -5.510 0.264 21.936) 22.619 7.955 ( 3.170 -1.531 16.185) 16.563 8.051 ( -4.563 -0.258 23.352) 23.795 8.422 ( 2.854 0.661 -25.355) 25.524 8.453 ( 0.520 0.582 -23.554) 23.567 8.579 ( 3.322 -0.493 -27.189) 27.396 8.638 ( -1.451 -0.309 -25.747) 25.789 10.213 ( 3.745 7.814 20.694) 22.435 10.304 ( -4.148 2.569 16.093) 16.817 10.415 ( 1.836 -6.115 13.820) 15.223 10.495 ( -5.714 -3.511 7.693) 10.205 10.776 ( 3.779 3.308 -9.791) 11.004 10.849 ( -0.640 -0.896 -11.132) 11.186 10.873 ( -0.871 1.708 -13.174) 13.312 10.974 ( -6.082 -3.666 -14.289) 15.956 11.550 ( 3.790 1.332 9.156) 9.999 11.590 ( 0.856 0.036 11.782) 11.813 11.697 ( 1.679 -0.972 8.360) 8.583 11.704 ( 3.249 -0.531 5.244) 6.191 11.823 ( -3.875 0.429 -7.520) 8.471 11.869 ( -6.385 0.737 -10.696) 12.479 12.027 ( 1.223 -0.848 -16.231) 16.299 12.065 ( -2.476 -2.486 -19.409) 19.723 13.366 ( 5.282 3.295 7.037) 9.396 13.471 ( -3.731 0.757 6.730) 7.732 13.531 ( 5.967 5.584 -8.308) 11.653 13.622 ( -1.538 1.325 -7.184) 7.466 13.935 ( 1.398 -1.057 1.623) 2.389 13.956 ( -0.130 -2.337 4.415) 4.997 14.025 ( 1.321 -1.339 -4.962) 5.306 14.095 ( -4.013 -4.134 -6.905) 8.993 14.773 ( 4.202 4.509 12.221) 13.688 14.839 ( -0.952 2.866 10.732) 11.149 14.878 ( 4.716 -4.866 12.659) 14.359 14.963 ( -3.313 1.014 6.222) 7.121 15.016 ( 3.678 -0.024 -0.028) 3.678 15.100 ( -4.655 1.987 -1.894) 5.405 15.188 ( 1.936 -2.768 -8.675) 9.309 15.284 ( -5.870 -8.016 -9.400) 13.678 17.774 ( 0.241 2.646 35.908) 36.007 17.819 ( -3.981 -0.360 36.189) 36.409 18.548 ( 1.171 2.314 -38.635) 38.722 18.594 ( -3.011 0.040 -38.507) 38.625 18.724 ( 1.959 -0.548 22.934) 23.024 18.747 ( -0.155 -0.911 23.356) 23.374 19.260 ( 1.799 -0.202 -28.623) 28.681 19.292 ( -0.945 -0.686 -28.905) 28.929 26.084 ( 6.481 1.353 10.427) 12.352 26.141 ( 2.979 -1.089 8.536) 9.107 26.293 ( 8.375 -0.186 -5.133) 9.825 26.326 ( 7.475 -0.295 -11.193) 13.463 26.478 ( -4.891 1.615 4.902) 7.110 26.529 ( -9.605 -1.266 9.317) 13.441 26.673 ( -5.783 2.022 -10.809) 12.425 26.732 ( -10.213 -2.408 -10.242) 14.663 28.394 ( 10.946 3.068 5.176) 12.490 28.456 ( 12.387 2.628 2.171) 12.847 28.514 ( 7.245 -2.644 3.728) 8.566 28.663 ( 2.569 -0.522 -7.491) 7.937 28.797 ( -2.476 2.715 8.306) 9.082 28.907 ( -4.647 -0.352 5.836) 7.469 28.935 ( -3.553 -1.204 2.583) 4.555 29.135 ( -12.060 1.240 -8.094) 14.578 29.529 ( 5.190 1.120 2.808) 6.007 29.582 ( 2.175 0.746 2.484) 3.385 29.618 ( 3.667 -1.044 -0.217) 3.819 29.744 ( -1.355 -1.701 -7.234) 7.554 29.881 ( -1.429 1.949 7.562) 7.939 29.934 ( -3.770 -1.255 4.539) 6.033 30.011 ( -0.750 -1.292 -3.403) 3.716 30.065 ( -4.858 -2.341 -5.324) 7.577 =================== 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 3/27000 10.0 117.543 143.582 135.291 0.000 0.000 -0.000 3/27000 20.0 28.057 34.052 37.581 0.000 0.000 -0.000 3/27000 30.0 14.498 16.439 22.106 0.000 0.000 -0.000 3/27000 40.0 9.771 10.568 16.884 0.000 0.000 -0.000 3/27000 50.0 7.337 7.739 14.161 0.000 0.000 -0.000 3/27000 60.0 5.842 6.076 12.346 0.000 0.000 -0.000 3/27000 70.0 4.835 4.982 10.990 0.000 0.000 -0.000 3/27000 80.0 4.116 4.212 9.917 0.000 0.000 -0.000 3/27000 90.0 3.581 3.644 9.042 0.000 0.000 -0.000 3/27000 100.0 3.169 3.209 8.314 0.000 0.000 -0.000 3/27000 110.0 2.844 2.868 7.699 0.000 0.000 -0.000 3/27000 120.0 2.581 2.592 7.174 0.000 0.000 -0.000 3/27000 130.0 2.364 2.366 6.722 0.000 0.000 -0.000 3/27000 140.0 2.183 2.178 6.329 0.000 0.000 -0.000 3/27000 150.0 2.029 2.018 5.985 0.000 0.000 -0.000 3/27000 160.0 1.897 1.881 5.681 0.000 0.000 -0.000 3/27000 170.0 1.783 1.762 5.411 0.000 0.000 -0.000 3/27000 180.0 1.682 1.658 5.170 0.000 0.000 -0.000 3/27000 190.0 1.594 1.566 4.953 0.000 0.000 -0.000 3/27000 200.0 1.515 1.484 4.756 0.000 0.000 -0.000 3/27000 210.0 1.444 1.411 4.576 0.000 0.000 -0.000 3/27000 220.0 1.381 1.345 4.412 0.000 0.000 -0.000 3/27000 230.0 1.323 1.285 4.261 0.000 0.000 -0.000 3/27000 240.0 1.271 1.231 4.122 0.000 0.000 -0.000 3/27000 250.0 1.223 1.181 3.992 0.000 0.000 -0.000 3/27000 260.0 1.179 1.135 3.872 0.000 0.000 -0.000 3/27000 270.0 1.139 1.093 3.759 0.000 0.000 -0.000 3/27000 280.0 1.101 1.054 3.654 0.000 0.000 -0.000 3/27000 290.0 1.067 1.018 3.554 0.000 0.000 -0.000 3/27000 300.0 1.034 0.984 3.461 0.000 0.000 -0.000 3/27000 310.0 1.004 0.952 3.372 0.000 0.000 -0.000 3/27000 320.0 0.976 0.923 3.289 0.000 0.000 -0.000 3/27000 330.0 0.949 0.895 3.209 0.000 0.000 -0.000 3/27000 340.0 0.924 0.869 3.134 0.000 0.000 -0.000 3/27000 350.0 0.901 0.845 3.062 0.000 0.000 -0.000 3/27000 360.0 0.878 0.822 2.993 0.000 0.000 -0.000 3/27000 370.0 0.857 0.800 2.928 0.000 0.000 -0.000 3/27000 380.0 0.837 0.779 2.865 0.000 0.000 -0.000 3/27000 390.0 0.818 0.760 2.805 0.000 0.000 -0.000 3/27000 400.0 0.800 0.741 2.747 0.000 0.000 -0.000 3/27000 410.0 0.782 0.724 2.692 0.000 0.000 -0.000 3/27000 420.0 0.766 0.707 2.639 0.000 0.000 -0.000 3/27000 430.0 0.750 0.691 2.588 0.000 0.000 -0.000 3/27000 440.0 0.735 0.675 2.539 0.000 0.000 -0.000 3/27000 450.0 0.720 0.661 2.492 0.000 0.000 -0.000 3/27000 460.0 0.706 0.647 2.446 0.000 0.000 -0.000 3/27000 470.0 0.693 0.633 2.402 0.000 0.000 -0.000 3/27000 480.0 0.680 0.620 2.359 0.000 0.000 -0.000 3/27000 490.0 0.668 0.608 2.318 0.000 0.000 -0.000 3/27000 500.0 0.656 0.596 2.279 0.000 0.000 -0.000 3/27000 510.0 0.644 0.585 2.240 0.000 0.000 -0.000 3/27000 520.0 0.633 0.574 2.203 0.000 0.000 -0.000 3/27000 530.0 0.622 0.563 2.167 0.000 0.000 -0.000 3/27000 540.0 0.612 0.553 2.132 0.000 0.000 -0.000 3/27000 550.0 0.602 0.543 2.099 0.000 0.000 -0.000 3/27000 560.0 0.592 0.534 2.066 0.000 0.000 -0.000 3/27000 570.0 0.583 0.525 2.034 0.000 0.000 -0.000 3/27000 580.0 0.574 0.516 2.003 0.000 0.000 -0.000 3/27000 590.0 0.565 0.507 1.973 0.000 0.000 -0.000 3/27000 600.0 0.556 0.499 1.944 0.000 0.000 -0.000 3/27000 610.0 0.548 0.491 1.916 0.000 0.000 -0.000 3/27000 620.0 0.540 0.483 1.888 0.000 0.000 -0.000 3/27000 630.0 0.532 0.476 1.862 0.000 0.000 -0.000 3/27000 640.0 0.525 0.468 1.836 0.000 0.000 -0.000 3/27000 650.0 0.517 0.461 1.810 0.000 0.000 -0.000 3/27000 660.0 0.510 0.455 1.786 0.000 0.000 -0.000 3/27000 670.0 0.503 0.448 1.762 0.000 0.000 -0.000 3/27000 680.0 0.496 0.441 1.738 0.000 0.000 -0.000 3/27000 690.0 0.490 0.435 1.715 0.000 0.000 -0.000 3/27000 700.0 0.483 0.429 1.693 0.000 0.000 -0.000 3/27000 710.0 0.477 0.423 1.671 0.000 0.000 -0.000 3/27000 720.0 0.471 0.417 1.650 0.000 0.000 -0.000 3/27000 730.0 0.465 0.412 1.630 0.000 0.000 -0.000 3/27000 740.0 0.459 0.406 1.609 0.000 0.000 -0.000 3/27000 750.0 0.453 0.401 1.590 0.000 0.000 -0.000 3/27000 760.0 0.448 0.396 1.571 0.000 0.000 -0.000 3/27000 770.0 0.442 0.391 1.552 0.000 0.000 -0.000 3/27000 780.0 0.437 0.386 1.534 0.000 0.000 -0.000 3/27000 790.0 0.432 0.381 1.516 0.000 0.000 -0.000 3/27000 800.0 0.427 0.376 1.498 0.000 0.000 -0.000 3/27000 810.0 0.422 0.372 1.481 0.000 0.000 -0.000 3/27000 820.0 0.417 0.367 1.464 0.000 0.000 -0.000 3/27000 830.0 0.412 0.363 1.448 0.000 0.000 -0.000 3/27000 840.0 0.408 0.359 1.432 0.000 0.000 -0.000 3/27000 850.0 0.403 0.355 1.416 0.000 0.000 -0.000 3/27000 860.0 0.399 0.351 1.401 0.000 0.000 -0.000 3/27000 870.0 0.394 0.347 1.386 0.000 0.000 -0.000 3/27000 880.0 0.390 0.343 1.371 0.000 0.000 -0.000 3/27000 890.0 0.386 0.339 1.357 0.000 0.000 -0.000 3/27000 900.0 0.382 0.335 1.342 0.000 0.000 -0.000 3/27000 910.0 0.378 0.332 1.329 0.000 0.000 -0.000 3/27000 920.0 0.374 0.328 1.315 0.000 0.000 -0.000 3/27000 930.0 0.370 0.325 1.302 0.000 0.000 -0.000 3/27000 940.0 0.367 0.321 1.289 0.000 0.000 -0.000 3/27000 950.0 0.363 0.318 1.276 0.000 0.000 -0.000 3/27000 960.0 0.359 0.315 1.263 0.000 0.000 -0.000 3/27000 970.0 0.356 0.311 1.251 0.000 0.000 -0.000 3/27000 980.0 0.352 0.308 1.239 0.000 0.000 -0.000 3/27000 990.0 0.349 0.305 1.227 0.000 0.000 -0.000 3/27000 1000.0 0.346 0.302 1.215 0.000 0.000 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m559.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:21:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|