----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:06:49]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.640269529999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.465446049999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.945529939999998 Atomic positions (fractional): *1 O 0.42780312416984 0.75000000000000 0.46670749402068 15.999 2 O 0.57219687583016 0.25000000000000 0.53329250597932 15.999 3 O 0.92780312416984 0.75000000000000 0.03329250597932 15.999 4 O 0.07219687583016 0.25000000000000 0.96670749402068 15.999 *5 O 0.39402427484297 0.75000000000000 0.24464385612500 15.999 6 O 0.60597572515703 0.25000000000000 0.75535614387500 15.999 7 O 0.89402427484297 0.75000000000000 0.25535614387500 15.999 8 O 0.10597572515703 0.25000000000000 0.74464385612500 15.999 *9 O 0.66682198132670 0.47099494448079 0.01728826854237 15.999 10 O 0.33317801867330 0.97099494448079 0.98271173145763 15.999 11 O 0.16682198132670 0.02900505551921 0.48271173145763 15.999 12 O 0.83317801867330 0.52900505551921 0.51728826854237 15.999 *13 O 0.10571289139100 0.96712503779777 0.16094651931630 15.999 14 O 0.89428710860900 0.46712503779777 0.83905348068370 15.999 15 O 0.60571289139100 0.53287496220223 0.33905348068370 15.999 16 O 0.39428710860900 0.03287496220223 0.66094651931630 15.999 17 O 0.89428710860900 0.03287496220223 0.83905348068370 15.999 18 O 0.10571289139100 0.53287496220223 0.16094651931630 15.999 19 O 0.39428710860900 0.46712503779777 0.66094651931630 15.999 20 O 0.60571289139100 0.96712503779777 0.33905348068370 15.999 *21 O 0.26004472271892 0.25000000000000 0.30690820166634 15.999 22 O 0.73995527728108 0.75000000000000 0.69309179833366 15.999 23 O 0.76004472271892 0.25000000000000 0.19309179833366 15.999 24 O 0.23995527728108 0.75000000000000 0.80690820166634 15.999 *25 O 0.48660489123480 0.25000000000000 0.14278973425581 15.999 26 O 0.51339510876520 0.75000000000000 0.85721026574419 15.999 27 O 0.98660489123480 0.25000000000000 0.35721026574419 15.999 28 O 0.01339510876520 0.75000000000000 0.64278973425581 15.999 29 O 0.16682198132670 0.47099494448079 0.48271173145763 15.999 30 O 0.83317801867330 0.97099494448079 0.51728826854237 15.999 31 O 0.66682198132670 0.02900505551921 0.01728826854237 15.999 32 O 0.33317801867330 0.52900505551921 0.98271173145763 15.999 *33 S 0.49888376987557 0.25000000000000 0.65569418079681 32.065 34 S 0.50111623012443 0.75000000000000 0.34430581920319 32.065 35 S 0.99888376987557 0.25000000000000 0.84430581920319 32.065 36 S 0.00111623012443 0.75000000000000 0.15569418079681 32.065 *37 S 0.35387289631529 0.75000000000000 0.90737391405635 32.065 38 S 0.64612710368471 0.25000000000000 0.09262608594365 32.065 39 S 0.85387289631529 0.75000000000000 0.59262608594365 32.065 40 S 0.14612710368471 0.25000000000000 0.40737391405635 32.065 *41 Zr 0.25500779384704 0.75000000000000 0.60318793295738 91.224 42 Zr 0.74499220615296 0.25000000000000 0.39681206704262 91.224 43 Zr 0.75500779384704 0.75000000000000 0.89681206704262 91.224 44 Zr 0.24499220615296 0.25000000000000 0.10318793295738 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.640269529999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.465446049999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.945529939999998 Atomic positions (fractional): *1 O 0.42780312416984 0.75000000000000 0.46670749402068 15.999 > 1 2 O 0.57219687583016 0.25000000000000 0.53329250597932 15.999 > 2 3 O 0.92780312416984 0.75000000000000 0.03329250597932 15.999 > 3 4 O 0.07219687583016 0.25000000000000 0.96670749402068 15.999 > 4 *5 O 0.39402427484297 0.75000000000000 0.24464385612500 15.999 > 5 6 O 0.60597572515703 0.25000000000000 0.75535614387500 15.999 > 6 7 O 0.89402427484297 0.75000000000000 0.25535614387500 15.999 > 7 8 O 0.10597572515703 0.25000000000000 0.74464385612500 15.999 > 8 *9 O 0.66682198132670 0.47099494448079 0.01728826854237 15.999 > 9 10 O 0.33317801867330 0.97099494448079 0.98271173145763 15.999 > 10 11 O 0.16682198132670 0.02900505551921 0.48271173145763 15.999 > 11 12 O 0.83317801867330 0.52900505551921 0.51728826854237 15.999 > 12 *13 O 0.10571289139100 0.96712503779777 0.16094651931630 15.999 > 13 14 O 0.89428710860900 0.46712503779777 0.83905348068370 15.999 > 14 15 O 0.60571289139100 0.53287496220223 0.33905348068370 15.999 > 15 16 O 0.39428710860900 0.03287496220223 0.66094651931630 15.999 > 16 17 O 0.89428710860900 0.03287496220223 0.83905348068370 15.999 > 17 18 O 0.10571289139100 0.53287496220223 0.16094651931630 15.999 > 18 19 O 0.39428710860900 0.46712503779777 0.66094651931630 15.999 > 19 20 O 0.60571289139100 0.96712503779777 0.33905348068370 15.999 > 20 *21 O 0.26004472271892 0.25000000000000 0.30690820166634 15.999 > 21 22 O 0.73995527728108 0.75000000000000 0.69309179833366 15.999 > 22 23 O 0.76004472271892 0.25000000000000 0.19309179833366 15.999 > 23 24 O 0.23995527728108 0.75000000000000 0.80690820166634 15.999 > 24 *25 O 0.48660489123480 0.25000000000000 0.14278973425581 15.999 > 25 26 O 0.51339510876520 0.75000000000000 0.85721026574419 15.999 > 26 27 O 0.98660489123480 0.25000000000000 0.35721026574419 15.999 > 27 28 O 0.01339510876520 0.75000000000000 0.64278973425581 15.999 > 28 29 O 0.16682198132670 0.47099494448079 0.48271173145763 15.999 > 29 30 O 0.83317801867330 0.97099494448079 0.51728826854237 15.999 > 30 31 O 0.66682198132670 0.02900505551921 0.01728826854237 15.999 > 31 32 O 0.33317801867330 0.52900505551921 0.98271173145763 15.999 > 32 *33 S 0.49888376987557 0.25000000000000 0.65569418079681 32.065 > 33 34 S 0.50111623012443 0.75000000000000 0.34430581920319 32.065 > 34 35 S 0.99888376987557 0.25000000000000 0.84430581920319 32.065 > 35 36 S 0.00111623012443 0.75000000000000 0.15569418079681 32.065 > 36 *37 S 0.35387289631529 0.75000000000000 0.90737391405635 32.065 > 37 38 S 0.64612710368471 0.25000000000000 0.09262608594365 32.065 > 38 39 S 0.85387289631529 0.75000000000000 0.59262608594365 32.065 > 39 40 S 0.14612710368471 0.25000000000000 0.40737391405635 32.065 > 40 *41 Zr 0.25500779384704 0.75000000000000 0.60318793295738 91.224 > 41 42 Zr 0.74499220615296 0.25000000000000 0.39681206704262 91.224 > 42 43 Zr 0.75500779384704 0.75000000000000 0.89681206704262 91.224 > 43 44 Zr 0.24499220615296 0.25000000000000 0.10318793295738 91.224 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.640269529999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.930892099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.945529939999998 Atomic positions (fractional): *1 O 0.42780312416984 0.37500000000000 0.46670749402068 15.999 > 1 2 O 0.42780312416984 0.87500000000000 0.46670749402068 15.999 > 1 3 O 0.57219687583016 0.12500000000000 0.53329250597932 15.999 > 2 4 O 0.57219687583016 0.62500000000000 0.53329250597932 15.999 > 2 5 O 0.92780312416984 0.37500000000000 0.03329250597932 15.999 > 3 6 O 0.92780312416984 0.87500000000000 0.03329250597932 15.999 > 3 7 O 0.07219687583016 0.12500000000000 0.96670749402068 15.999 > 4 8 O 0.07219687583016 0.62500000000000 0.96670749402068 15.999 > 4 *9 O 0.39402427484297 0.37500000000000 0.24464385612500 15.999 > 5 10 O 0.39402427484297 0.87500000000000 0.24464385612500 15.999 > 5 11 O 0.60597572515703 0.12500000000000 0.75535614387500 15.999 > 6 12 O 0.60597572515703 0.62500000000000 0.75535614387500 15.999 > 6 13 O 0.89402427484297 0.37500000000000 0.25535614387500 15.999 > 7 14 O 0.89402427484297 0.87500000000000 0.25535614387500 15.999 > 7 15 O 0.10597572515703 0.12500000000000 0.74464385612500 15.999 > 8 16 O 0.10597572515703 0.62500000000000 0.74464385612500 15.999 > 8 *17 O 0.66682198132670 0.23549747224040 0.01728826854237 15.999 > 9 18 O 0.66682198132670 0.73549747224040 0.01728826854237 15.999 > 9 19 O 0.33317801867330 0.48549747224040 0.98271173145763 15.999 > 10 20 O 0.33317801867330 0.98549747224040 0.98271173145763 15.999 > 10 21 O 0.16682198132670 0.01450252775960 0.48271173145763 15.999 > 11 22 O 0.16682198132670 0.51450252775960 0.48271173145763 15.999 > 11 23 O 0.83317801867330 0.26450252775960 0.51728826854237 15.999 > 12 24 O 0.83317801867330 0.76450252775960 0.51728826854237 15.999 > 12 *25 O 0.10571289139100 0.48356251889889 0.16094651931630 15.999 > 13 26 O 0.10571289139100 0.98356251889889 0.16094651931630 15.999 > 13 27 O 0.89428710860900 0.23356251889889 0.83905348068370 15.999 > 14 28 O 0.89428710860900 0.73356251889889 0.83905348068370 15.999 > 14 29 O 0.60571289139100 0.26643748110111 0.33905348068370 15.999 > 15 30 O 0.60571289139100 0.76643748110111 0.33905348068370 15.999 > 15 31 O 0.39428710860900 0.01643748110111 0.66094651931630 15.999 > 16 32 O 0.39428710860900 0.51643748110111 0.66094651931630 15.999 > 16 33 O 0.89428710860900 0.01643748110111 0.83905348068370 15.999 > 17 34 O 0.89428710860900 0.51643748110111 0.83905348068370 15.999 > 17 35 O 0.10571289139100 0.26643748110111 0.16094651931630 15.999 > 18 36 O 0.10571289139100 0.76643748110111 0.16094651931630 15.999 > 18 37 O 0.39428710860900 0.23356251889889 0.66094651931630 15.999 > 19 38 O 0.39428710860900 0.73356251889889 0.66094651931630 15.999 > 19 39 O 0.60571289139100 0.48356251889889 0.33905348068370 15.999 > 20 40 O 0.60571289139100 0.98356251889889 0.33905348068370 15.999 > 20 *41 O 0.26004472271892 0.12500000000000 0.30690820166634 15.999 > 21 42 O 0.26004472271892 0.62500000000000 0.30690820166634 15.999 > 21 43 O 0.73995527728108 0.37500000000000 0.69309179833366 15.999 > 22 44 O 0.73995527728108 0.87500000000000 0.69309179833366 15.999 > 22 45 O 0.76004472271892 0.12500000000000 0.19309179833366 15.999 > 23 46 O 0.76004472271892 0.62500000000000 0.19309179833366 15.999 > 23 47 O 0.23995527728108 0.37500000000000 0.80690820166634 15.999 > 24 48 O 0.23995527728108 0.87500000000000 0.80690820166634 15.999 > 24 *49 O 0.48660489123480 0.12500000000000 0.14278973425581 15.999 > 25 50 O 0.48660489123480 0.62500000000000 0.14278973425581 15.999 > 25 51 O 0.51339510876520 0.37500000000000 0.85721026574419 15.999 > 26 52 O 0.51339510876520 0.87500000000000 0.85721026574419 15.999 > 26 53 O 0.98660489123480 0.12500000000000 0.35721026574419 15.999 > 27 54 O 0.98660489123480 0.62500000000000 0.35721026574419 15.999 > 27 55 O 0.01339510876520 0.37500000000000 0.64278973425581 15.999 > 28 56 O 0.01339510876520 0.87500000000000 0.64278973425581 15.999 > 28 57 O 0.16682198132670 0.23549747224040 0.48271173145763 15.999 > 29 58 O 0.16682198132670 0.73549747224040 0.48271173145763 15.999 > 29 59 O 0.83317801867330 0.48549747224040 0.51728826854237 15.999 > 30 60 O 0.83317801867330 0.98549747224040 0.51728826854237 15.999 > 30 61 O 0.66682198132670 0.01450252775960 0.01728826854237 15.999 > 31 62 O 0.66682198132670 0.51450252775960 0.01728826854237 15.999 > 31 63 O 0.33317801867330 0.26450252775960 0.98271173145763 15.999 > 32 64 O 0.33317801867330 0.76450252775960 0.98271173145763 15.999 > 32 *65 S 0.49888376987557 0.12500000000000 0.65569418079681 32.065 > 33 66 S 0.49888376987557 0.62500000000000 0.65569418079681 32.065 > 33 67 S 0.50111623012443 0.37500000000000 0.34430581920319 32.065 > 34 68 S 0.50111623012443 0.87500000000000 0.34430581920319 32.065 > 34 69 S 0.99888376987557 0.12500000000000 0.84430581920319 32.065 > 35 70 S 0.99888376987557 0.62500000000000 0.84430581920319 32.065 > 35 71 S 0.00111623012443 0.37500000000000 0.15569418079681 32.065 > 36 72 S 0.00111623012443 0.87500000000000 0.15569418079681 32.065 > 36 *73 S 0.35387289631529 0.37500000000000 0.90737391405635 32.065 > 37 74 S 0.35387289631529 0.87500000000000 0.90737391405635 32.065 > 37 75 S 0.64612710368471 0.12500000000000 0.09262608594365 32.065 > 38 76 S 0.64612710368471 0.62500000000000 0.09262608594365 32.065 > 38 77 S 0.85387289631529 0.37500000000000 0.59262608594365 32.065 > 39 78 S 0.85387289631529 0.87500000000000 0.59262608594365 32.065 > 39 79 S 0.14612710368471 0.12500000000000 0.40737391405635 32.065 > 40 80 S 0.14612710368471 0.62500000000000 0.40737391405635 32.065 > 40 *81 Zr 0.25500779384704 0.37500000000000 0.60318793295738 91.224 > 41 82 Zr 0.25500779384704 0.87500000000000 0.60318793295738 91.224 > 41 83 Zr 0.74499220615296 0.12500000000000 0.39681206704262 91.224 > 42 84 Zr 0.74499220615296 0.62500000000000 0.39681206704262 91.224 > 42 85 Zr 0.75500779384704 0.37500000000000 0.89681206704262 91.224 > 43 86 Zr 0.75500779384704 0.87500000000000 0.89681206704262 91.224 > 43 87 Zr 0.24499220615296 0.12500000000000 0.10318793295738 91.224 > 44 88 Zr 0.24499220615296 0.62500000000000 0.10318793295738 91.224 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5557653 0.0000000 0.0000000 0.0000000 3.6403964 0.0000000 0.0000000 0.0000000 3.3901521 -------------------------- Born effective charges -------------------------- 1 O -2.0090335 0.0000000 1.6447924 0.0000000 -1.0714193 0.0000000 1.1014420 0.0000000 -2.5588845 2 O -2.0090335 0.0000000 1.6447924 0.0000000 -1.0714193 0.0000000 1.1014420 0.0000000 -2.5588845 3 O -2.0090335 0.0000000 -1.6447924 0.0000000 -1.0714193 0.0000000 -1.1014420 0.0000000 -2.5588845 4 O -2.0090335 0.0000000 -1.6447924 0.0000000 -1.0714193 0.0000000 -1.1014420 0.0000000 -2.5588845 5 O -1.2972574 0.0000000 -0.3539015 0.0000000 -1.1211042 0.0000000 -0.5592203 0.0000000 -1.4574309 6 O -1.2972574 0.0000000 -0.3539015 0.0000000 -1.1211042 0.0000000 -0.5592203 0.0000000 -1.4574309 7 O -1.2972574 0.0000000 0.3539015 0.0000000 -1.1211042 0.0000000 0.5592203 0.0000000 -1.4574309 8 O -1.2972574 0.0000000 0.3539015 0.0000000 -1.1211042 0.0000000 0.5592203 0.0000000 -1.4574309 9 O -1.2077852 -0.7456954 0.6645442 -0.4666930 -2.7712439 1.3875909 0.2393778 1.2121769 -1.9085208 10 O -1.2077852 0.7456954 0.6645442 0.4666930 -2.7712439 -1.3875909 0.2393778 -1.2121769 -1.9085208 11 O -1.2077852 0.7456954 -0.6645442 0.4666930 -2.7712439 1.3875909 -0.2393778 1.2121769 -1.9085208 12 O -1.2077852 -0.7456954 -0.6645442 -0.4666930 -2.7712439 -1.3875909 -0.2393778 -1.2121769 -1.9085208 13 O -2.0502659 -1.3086642 0.1654274 -1.7353334 -3.2452132 0.3038612 0.1802934 0.2132874 -1.0611268 14 O -2.0502659 1.3086642 0.1654274 1.7353334 -3.2452132 -0.3038612 0.1802934 -0.2132874 -1.0611268 15 O -2.0502659 1.3086642 -0.1654274 1.7353334 -3.2452132 0.3038612 -0.1802934 0.2132874 -1.0611268 16 O -2.0502659 -1.3086642 -0.1654274 -1.7353334 -3.2452132 -0.3038612 -0.1802934 -0.2132874 -1.0611268 17 O -2.0502659 -1.3086642 0.1654274 -1.7353334 -3.2452132 0.3038612 0.1802934 0.2132874 -1.0611268 18 O -2.0502659 1.3086642 0.1654274 1.7353334 -3.2452132 -0.3038612 0.1802934 -0.2132874 -1.0611268 19 O -2.0502659 1.3086642 -0.1654274 1.7353334 -3.2452132 0.3038612 -0.1802934 0.2132874 -1.0611268 20 O -2.0502659 -1.3086642 -0.1654274 -1.7353334 -3.2452132 -0.3038612 -0.1802934 -0.2132874 -1.0611268 21 O -1.4102831 0.0000000 0.4521188 0.0000000 -1.0119958 0.0000000 0.9017792 0.0000000 -3.0879386 22 O -1.4102831 0.0000000 0.4521188 0.0000000 -1.0119958 0.0000000 0.9017792 0.0000000 -3.0879386 23 O -1.4102831 0.0000000 -0.4521188 0.0000000 -1.0119958 0.0000000 -0.9017792 0.0000000 -3.0879386 24 O -1.4102831 0.0000000 -0.4521188 0.0000000 -1.0119958 0.0000000 -0.9017792 0.0000000 -3.0879386 25 O -3.9033622 0.0000000 0.4148082 0.0000000 -1.0008272 0.0000000 0.0203873 0.0000000 -1.1277249 26 O -3.9033622 0.0000000 0.4148082 0.0000000 -1.0008272 0.0000000 0.0203873 0.0000000 -1.1277249 27 O -3.9033622 0.0000000 -0.4148082 0.0000000 -1.0008272 0.0000000 -0.0203873 0.0000000 -1.1277249 28 O -3.9033622 0.0000000 -0.4148082 0.0000000 -1.0008272 0.0000000 -0.0203873 0.0000000 -1.1277249 29 O -1.2077852 -0.7456954 -0.6645442 -0.4666930 -2.7712439 -1.3875909 -0.2393778 -1.2121769 -1.9085208 30 O -1.2077852 0.7456954 -0.6645442 0.4666930 -2.7712439 1.3875909 -0.2393778 1.2121769 -1.9085208 31 O -1.2077852 0.7456954 0.6645442 0.4666930 -2.7712439 -1.3875909 0.2393778 -1.2121769 -1.9085208 32 O -1.2077852 -0.7456954 0.6645442 -0.4666930 -2.7712439 1.3875909 0.2393778 1.2121769 -1.9085208 33 S 4.4264929 0.0000000 -0.8935109 0.0000000 5.1044923 0.0000000 0.1051620 0.0000000 3.7346305 34 S 4.4264929 0.0000000 -0.8935109 0.0000000 5.1044923 0.0000000 0.1051620 0.0000000 3.7346305 35 S 4.4264929 0.0000000 0.8935109 0.0000000 5.1044923 0.0000000 -0.1051620 0.0000000 3.7346305 36 S 4.4264929 0.0000000 0.8935109 0.0000000 5.1044923 0.0000000 -0.1051620 0.0000000 3.7346305 37 S 4.4082747 0.0000000 -1.0199235 0.0000000 4.6109368 0.0000000 0.7736435 0.0000000 4.6376549 38 S 4.4082747 0.0000000 -1.0199235 0.0000000 4.6109368 0.0000000 0.7736435 0.0000000 4.6376549 39 S 4.4082747 0.0000000 1.0199235 0.0000000 4.6109368 0.0000000 -0.7736435 0.0000000 4.6376549 40 S 4.4082747 0.0000000 1.0199235 0.0000000 4.6109368 0.0000000 -0.7736435 0.0000000 4.6376549 41 Zr 6.3012708 0.0000000 0.3167261 0.0000000 6.5228317 0.0000000 -0.1154026 0.0000000 5.7989887 42 Zr 6.3012708 0.0000000 0.3167261 0.0000000 6.5228317 0.0000000 -0.1154026 0.0000000 5.7989887 43 Zr 6.3012708 0.0000000 -0.3167261 0.0000000 6.5228317 0.0000000 0.1154026 0.0000000 5.7989887 44 Zr 6.3012708 0.0000000 -0.3167261 0.0000000 6.5228317 0.0000000 0.1154026 0.0000000 5.7989887 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2326 Number of blocks in projector: 2326 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 232 eigenvectors found. (2) Block: 500 / 582 (2) 232 eigenvectors found. (2) Block: 582 / 582 (2) 69 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2326, 2273), data: False |-- (324, 315), data: True |-- (324, 315), data: True |-- (324, 315), data: True |-- (386, 382), data: True |-- (386, 382), data: True |-- (582, 564), data: False |-- (582, 564), data: False |-- (582, 31), data: (582, 49) @ (49, 31) |-- (82, 69), data: True |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.626 Solver_block: 200 / 720 - Time: 0.499 Solver_block: 300 / 720 - Time: 0.562 Solver_block: 400 / 720 - Time: 0.568 Solver_block: 500 / 720 - Time: 0.477 Solver_block: 600 / 720 - Time: 0.481 Solver_block: 700 / 720 - Time: 0.501 Solver_block: 720 / 720 - Time: 0.245 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.271 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2326 Number of blocks in projector: 2326 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 232 eigenvectors found. (2) Block: 500 / 582 (2) 232 eigenvectors found. (2) Block: 582 / 582 (2) 69 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2326, 2273), data: False |-- (324, 315), data: True |-- (324, 315), data: True |-- (324, 315), data: True |-- (386, 382), data: True |-- (386, 382), data: True |-- (582, 564), data: False |-- (582, 564), data: False |-- (582, 31), data: (582, 49) @ (49, 31) |-- (82, 69), data: True |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:07:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:07:28]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.640269529999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.465446049999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.945529939999998 Atomic positions (fractional): 1 O 0.42780312416984 0.75000000000000 0.46670749402068 15.999 2 O 0.57219687583016 0.25000000000000 0.53329250597932 15.999 3 O 0.92780312416984 0.75000000000000 0.03329250597932 15.999 4 O 0.07219687583016 0.25000000000000 0.96670749402068 15.999 5 O 0.39402427484297 0.75000000000000 0.24464385612500 15.999 6 O 0.60597572515703 0.25000000000000 0.75535614387500 15.999 7 O 0.89402427484297 0.75000000000000 0.25535614387500 15.999 8 O 0.10597572515703 0.25000000000000 0.74464385612500 15.999 9 O 0.66682198132670 0.47099494448079 0.01728826854237 15.999 10 O 0.33317801867330 0.97099494448079 0.98271173145763 15.999 11 O 0.16682198132670 0.02900505551921 0.48271173145763 15.999 12 O 0.83317801867330 0.52900505551921 0.51728826854237 15.999 13 O 0.10571289139100 0.96712503779777 0.16094651931630 15.999 14 O 0.89428710860900 0.46712503779777 0.83905348068370 15.999 15 O 0.60571289139100 0.53287496220223 0.33905348068370 15.999 16 O 0.39428710860900 0.03287496220223 0.66094651931630 15.999 17 O 0.89428710860900 0.03287496220223 0.83905348068370 15.999 18 O 0.10571289139100 0.53287496220223 0.16094651931630 15.999 19 O 0.39428710860900 0.46712503779777 0.66094651931630 15.999 20 O 0.60571289139100 0.96712503779777 0.33905348068370 15.999 21 O 0.26004472271892 0.25000000000000 0.30690820166634 15.999 22 O 0.73995527728108 0.75000000000000 0.69309179833366 15.999 23 O 0.76004472271892 0.25000000000000 0.19309179833366 15.999 24 O 0.23995527728108 0.75000000000000 0.80690820166634 15.999 25 O 0.48660489123480 0.25000000000000 0.14278973425581 15.999 26 O 0.51339510876520 0.75000000000000 0.85721026574419 15.999 27 O 0.98660489123480 0.25000000000000 0.35721026574419 15.999 28 O 0.01339510876520 0.75000000000000 0.64278973425581 15.999 29 O 0.16682198132670 0.47099494448079 0.48271173145763 15.999 30 O 0.83317801867330 0.97099494448079 0.51728826854237 15.999 31 O 0.66682198132670 0.02900505551921 0.01728826854237 15.999 32 O 0.33317801867330 0.52900505551921 0.98271173145763 15.999 33 S 0.49888376987557 0.25000000000000 0.65569418079681 32.065 34 S 0.50111623012443 0.75000000000000 0.34430581920319 32.065 35 S 0.99888376987557 0.25000000000000 0.84430581920319 32.065 36 S 0.00111623012443 0.75000000000000 0.15569418079681 32.065 37 S 0.35387289631529 0.75000000000000 0.90737391405635 32.065 38 S 0.64612710368471 0.25000000000000 0.09262608594365 32.065 39 S 0.85387289631529 0.75000000000000 0.59262608594365 32.065 40 S 0.14612710368471 0.25000000000000 0.40737391405635 32.065 41 Zr 0.25500779384704 0.75000000000000 0.60318793295738 91.224 42 Zr 0.74499220615296 0.25000000000000 0.39681206704262 91.224 43 Zr 0.75500779384704 0.75000000000000 0.89681206704262 91.224 44 Zr 0.24499220615296 0.25000000000000 0.10318793295738 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.640269529999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.930892099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.945529939999998 Atomic positions (fractional): 1 O 0.42780312416984 0.37500000000000 0.46670749402068 15.999 > 1 2 O 0.42780312416984 0.87500000000000 0.46670749402068 15.999 > 1 3 O 0.57219687583016 0.12500000000000 0.53329250597932 15.999 > 3 4 O 0.57219687583016 0.62500000000000 0.53329250597932 15.999 > 3 5 O 0.92780312416984 0.37500000000000 0.03329250597932 15.999 > 5 6 O 0.92780312416984 0.87500000000000 0.03329250597932 15.999 > 5 7 O 0.07219687583016 0.12500000000000 0.96670749402068 15.999 > 7 8 O 0.07219687583016 0.62500000000000 0.96670749402068 15.999 > 7 9 O 0.39402427484297 0.37500000000000 0.24464385612500 15.999 > 9 10 O 0.39402427484297 0.87500000000000 0.24464385612500 15.999 > 9 11 O 0.60597572515703 0.12500000000000 0.75535614387500 15.999 > 11 12 O 0.60597572515703 0.62500000000000 0.75535614387500 15.999 > 11 13 O 0.89402427484297 0.37500000000000 0.25535614387500 15.999 > 13 14 O 0.89402427484297 0.87500000000000 0.25535614387500 15.999 > 13 15 O 0.10597572515703 0.12500000000000 0.74464385612500 15.999 > 15 16 O 0.10597572515703 0.62500000000000 0.74464385612500 15.999 > 15 17 O 0.66682198132670 0.23549747224040 0.01728826854237 15.999 > 17 18 O 0.66682198132670 0.73549747224040 0.01728826854237 15.999 > 17 19 O 0.33317801867330 0.48549747224040 0.98271173145763 15.999 > 19 20 O 0.33317801867330 0.98549747224040 0.98271173145763 15.999 > 19 21 O 0.16682198132670 0.01450252775960 0.48271173145763 15.999 > 21 22 O 0.16682198132670 0.51450252775960 0.48271173145763 15.999 > 21 23 O 0.83317801867330 0.26450252775960 0.51728826854237 15.999 > 23 24 O 0.83317801867330 0.76450252775960 0.51728826854237 15.999 > 23 25 O 0.10571289139100 0.48356251889889 0.16094651931630 15.999 > 25 26 O 0.10571289139100 0.98356251889889 0.16094651931630 15.999 > 25 27 O 0.89428710860900 0.23356251889889 0.83905348068370 15.999 > 27 28 O 0.89428710860900 0.73356251889889 0.83905348068370 15.999 > 27 29 O 0.60571289139100 0.26643748110111 0.33905348068370 15.999 > 29 30 O 0.60571289139100 0.76643748110111 0.33905348068370 15.999 > 29 31 O 0.39428710860900 0.01643748110111 0.66094651931630 15.999 > 31 32 O 0.39428710860900 0.51643748110111 0.66094651931630 15.999 > 31 33 O 0.89428710860900 0.01643748110111 0.83905348068370 15.999 > 33 34 O 0.89428710860900 0.51643748110111 0.83905348068370 15.999 > 33 35 O 0.10571289139100 0.26643748110111 0.16094651931630 15.999 > 35 36 O 0.10571289139100 0.76643748110111 0.16094651931630 15.999 > 35 37 O 0.39428710860900 0.23356251889889 0.66094651931630 15.999 > 37 38 O 0.39428710860900 0.73356251889889 0.66094651931630 15.999 > 37 39 O 0.60571289139100 0.48356251889889 0.33905348068370 15.999 > 39 40 O 0.60571289139100 0.98356251889889 0.33905348068370 15.999 > 39 41 O 0.26004472271892 0.12500000000000 0.30690820166634 15.999 > 41 42 O 0.26004472271892 0.62500000000000 0.30690820166634 15.999 > 41 43 O 0.73995527728108 0.37500000000000 0.69309179833366 15.999 > 43 44 O 0.73995527728108 0.87500000000000 0.69309179833366 15.999 > 43 45 O 0.76004472271892 0.12500000000000 0.19309179833366 15.999 > 45 46 O 0.76004472271892 0.62500000000000 0.19309179833366 15.999 > 45 47 O 0.23995527728108 0.37500000000000 0.80690820166634 15.999 > 47 48 O 0.23995527728108 0.87500000000000 0.80690820166634 15.999 > 47 49 O 0.48660489123480 0.12500000000000 0.14278973425581 15.999 > 49 50 O 0.48660489123480 0.62500000000000 0.14278973425581 15.999 > 49 51 O 0.51339510876520 0.37500000000000 0.85721026574419 15.999 > 51 52 O 0.51339510876520 0.87500000000000 0.85721026574419 15.999 > 51 53 O 0.98660489123480 0.12500000000000 0.35721026574419 15.999 > 53 54 O 0.98660489123480 0.62500000000000 0.35721026574419 15.999 > 53 55 O 0.01339510876520 0.37500000000000 0.64278973425581 15.999 > 55 56 O 0.01339510876520 0.87500000000000 0.64278973425581 15.999 > 55 57 O 0.16682198132670 0.23549747224040 0.48271173145763 15.999 > 57 58 O 0.16682198132670 0.73549747224040 0.48271173145763 15.999 > 57 59 O 0.83317801867330 0.48549747224040 0.51728826854237 15.999 > 59 60 O 0.83317801867330 0.98549747224040 0.51728826854237 15.999 > 59 61 O 0.66682198132670 0.01450252775960 0.01728826854237 15.999 > 61 62 O 0.66682198132670 0.51450252775960 0.01728826854237 15.999 > 61 63 O 0.33317801867330 0.26450252775960 0.98271173145763 15.999 > 63 64 O 0.33317801867330 0.76450252775960 0.98271173145763 15.999 > 63 65 S 0.49888376987557 0.12500000000000 0.65569418079681 32.065 > 65 66 S 0.49888376987557 0.62500000000000 0.65569418079681 32.065 > 65 67 S 0.50111623012443 0.37500000000000 0.34430581920319 32.065 > 67 68 S 0.50111623012443 0.87500000000000 0.34430581920319 32.065 > 67 69 S 0.99888376987557 0.12500000000000 0.84430581920319 32.065 > 69 70 S 0.99888376987557 0.62500000000000 0.84430581920319 32.065 > 69 71 S 0.00111623012443 0.37500000000000 0.15569418079681 32.065 > 71 72 S 0.00111623012443 0.87500000000000 0.15569418079681 32.065 > 71 73 S 0.35387289631529 0.37500000000000 0.90737391405635 32.065 > 73 74 S 0.35387289631529 0.87500000000000 0.90737391405635 32.065 > 73 75 S 0.64612710368471 0.12500000000000 0.09262608594365 32.065 > 75 76 S 0.64612710368471 0.62500000000000 0.09262608594365 32.065 > 75 77 S 0.85387289631529 0.37500000000000 0.59262608594365 32.065 > 77 78 S 0.85387289631529 0.87500000000000 0.59262608594365 32.065 > 77 79 S 0.14612710368471 0.12500000000000 0.40737391405635 32.065 > 79 80 S 0.14612710368471 0.62500000000000 0.40737391405635 32.065 > 79 81 Zr 0.25500779384704 0.37500000000000 0.60318793295738 91.224 > 81 82 Zr 0.25500779384704 0.87500000000000 0.60318793295738 91.224 > 81 83 Zr 0.74499220615296 0.12500000000000 0.39681206704262 91.224 > 83 84 Zr 0.74499220615296 0.62500000000000 0.39681206704262 91.224 > 83 85 Zr 0.75500779384704 0.37500000000000 0.89681206704262 91.224 > 85 86 Zr 0.75500779384704 0.87500000000000 0.89681206704262 91.224 > 85 87 Zr 0.24499220615296 0.12500000000000 0.10318793295738 91.224 > 87 88 Zr 0.24499220615296 0.62500000000000 0.10318793295738 91.224 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5557653 0.0000000 0.0000000 0.0000000 3.6403964 0.0000000 0.0000000 0.0000000 3.3901521 -------------------------- Born effective charges -------------------------- 1 O -2.0090335 0.0000000 1.6447924 0.0000000 -1.0714193 0.0000000 1.1014420 0.0000000 -2.5588845 2 O -2.0090335 0.0000000 1.6447924 0.0000000 -1.0714193 0.0000000 1.1014420 0.0000000 -2.5588845 3 O -2.0090335 0.0000000 -1.6447924 0.0000000 -1.0714193 0.0000000 -1.1014420 0.0000000 -2.5588845 4 O -2.0090335 0.0000000 -1.6447924 0.0000000 -1.0714193 0.0000000 -1.1014420 0.0000000 -2.5588845 5 O -1.2972574 0.0000000 -0.3539015 0.0000000 -1.1211042 0.0000000 -0.5592203 0.0000000 -1.4574309 6 O -1.2972574 0.0000000 -0.3539015 0.0000000 -1.1211042 0.0000000 -0.5592203 0.0000000 -1.4574309 7 O -1.2972574 0.0000000 0.3539015 0.0000000 -1.1211042 0.0000000 0.5592203 0.0000000 -1.4574309 8 O -1.2972574 0.0000000 0.3539015 0.0000000 -1.1211042 0.0000000 0.5592203 0.0000000 -1.4574309 9 O -1.2077852 -0.7456954 0.6645442 -0.4666930 -2.7712439 1.3875909 0.2393778 1.2121769 -1.9085208 10 O -1.2077852 0.7456954 0.6645442 0.4666930 -2.7712439 -1.3875909 0.2393778 -1.2121769 -1.9085208 11 O -1.2077852 0.7456954 -0.6645442 0.4666930 -2.7712439 1.3875909 -0.2393778 1.2121769 -1.9085208 12 O -1.2077852 -0.7456954 -0.6645442 -0.4666930 -2.7712439 -1.3875909 -0.2393778 -1.2121769 -1.9085208 13 O -2.0502659 -1.3086642 0.1654274 -1.7353334 -3.2452132 0.3038612 0.1802934 0.2132874 -1.0611268 14 O -2.0502659 1.3086642 0.1654274 1.7353334 -3.2452132 -0.3038612 0.1802934 -0.2132874 -1.0611268 15 O -2.0502659 1.3086642 -0.1654274 1.7353334 -3.2452132 0.3038612 -0.1802934 0.2132874 -1.0611268 16 O -2.0502659 -1.3086642 -0.1654274 -1.7353334 -3.2452132 -0.3038612 -0.1802934 -0.2132874 -1.0611268 17 O -2.0502659 -1.3086642 0.1654274 -1.7353334 -3.2452132 0.3038612 0.1802934 0.2132874 -1.0611268 18 O -2.0502659 1.3086642 0.1654274 1.7353334 -3.2452132 -0.3038612 0.1802934 -0.2132874 -1.0611268 19 O -2.0502659 1.3086642 -0.1654274 1.7353334 -3.2452132 0.3038612 -0.1802934 0.2132874 -1.0611268 20 O -2.0502659 -1.3086642 -0.1654274 -1.7353334 -3.2452132 -0.3038612 -0.1802934 -0.2132874 -1.0611268 21 O -1.4102831 0.0000000 0.4521188 0.0000000 -1.0119958 0.0000000 0.9017792 0.0000000 -3.0879386 22 O -1.4102831 0.0000000 0.4521188 0.0000000 -1.0119958 0.0000000 0.9017792 0.0000000 -3.0879386 23 O -1.4102831 0.0000000 -0.4521188 0.0000000 -1.0119958 0.0000000 -0.9017792 0.0000000 -3.0879386 24 O -1.4102831 0.0000000 -0.4521188 0.0000000 -1.0119958 0.0000000 -0.9017792 0.0000000 -3.0879386 25 O -3.9033622 0.0000000 0.4148082 0.0000000 -1.0008272 0.0000000 0.0203873 0.0000000 -1.1277249 26 O -3.9033622 0.0000000 0.4148082 0.0000000 -1.0008272 0.0000000 0.0203873 0.0000000 -1.1277249 27 O -3.9033622 0.0000000 -0.4148082 0.0000000 -1.0008272 0.0000000 -0.0203873 0.0000000 -1.1277249 28 O -3.9033622 0.0000000 -0.4148082 0.0000000 -1.0008272 0.0000000 -0.0203873 0.0000000 -1.1277249 29 O -1.2077852 -0.7456954 -0.6645442 -0.4666930 -2.7712439 -1.3875909 -0.2393778 -1.2121769 -1.9085208 30 O -1.2077852 0.7456954 -0.6645442 0.4666930 -2.7712439 1.3875909 -0.2393778 1.2121769 -1.9085208 31 O -1.2077852 0.7456954 0.6645442 0.4666930 -2.7712439 -1.3875909 0.2393778 -1.2121769 -1.9085208 32 O -1.2077852 -0.7456954 0.6645442 -0.4666930 -2.7712439 1.3875909 0.2393778 1.2121769 -1.9085208 33 S 4.4264929 0.0000000 -0.8935109 0.0000000 5.1044923 0.0000000 0.1051620 0.0000000 3.7346305 34 S 4.4264929 0.0000000 -0.8935109 0.0000000 5.1044923 0.0000000 0.1051620 0.0000000 3.7346305 35 S 4.4264929 0.0000000 0.8935109 0.0000000 5.1044923 0.0000000 -0.1051620 0.0000000 3.7346305 36 S 4.4264929 0.0000000 0.8935109 0.0000000 5.1044923 0.0000000 -0.1051620 0.0000000 3.7346305 37 S 4.4082747 0.0000000 -1.0199235 0.0000000 4.6109368 0.0000000 0.7736435 0.0000000 4.6376549 38 S 4.4082747 0.0000000 -1.0199235 0.0000000 4.6109368 0.0000000 0.7736435 0.0000000 4.6376549 39 S 4.4082747 0.0000000 1.0199235 0.0000000 4.6109368 0.0000000 -0.7736435 0.0000000 4.6376549 40 S 4.4082747 0.0000000 1.0199235 0.0000000 4.6109368 0.0000000 -0.7736435 0.0000000 4.6376549 41 Zr 6.3012708 0.0000000 0.3167261 0.0000000 6.5228317 0.0000000 -0.1154026 0.0000000 5.7989887 42 Zr 6.3012708 0.0000000 0.3167261 0.0000000 6.5228317 0.0000000 -0.1154026 0.0000000 5.7989887 43 Zr 6.3012708 0.0000000 -0.3167261 0.0000000 6.5228317 0.0000000 0.1154026 0.0000000 5.7989887 44 Zr 6.3012708 0.0000000 -0.3167261 0.0000000 6.5228317 0.0000000 0.1154026 0.0000000 5.7989887 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) 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 2026-01-07 20:07:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:07:54]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.640269529999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.465446049999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.945529939999998 Atomic positions (fractional): 1 O 0.42780312416984 0.75000000000000 0.46670749402068 15.999 2 O 0.57219687583016 0.25000000000000 0.53329250597932 15.999 3 O 0.92780312416984 0.75000000000000 0.03329250597932 15.999 4 O 0.07219687583016 0.25000000000000 0.96670749402068 15.999 5 O 0.39402427484297 0.75000000000000 0.24464385612500 15.999 6 O 0.60597572515703 0.25000000000000 0.75535614387500 15.999 7 O 0.89402427484297 0.75000000000000 0.25535614387500 15.999 8 O 0.10597572515703 0.25000000000000 0.74464385612500 15.999 9 O 0.66682198132670 0.47099494448079 0.01728826854237 15.999 10 O 0.33317801867330 0.97099494448079 0.98271173145763 15.999 11 O 0.16682198132670 0.02900505551921 0.48271173145763 15.999 12 O 0.83317801867330 0.52900505551921 0.51728826854237 15.999 13 O 0.10571289139100 0.96712503779777 0.16094651931630 15.999 14 O 0.89428710860900 0.46712503779777 0.83905348068370 15.999 15 O 0.60571289139100 0.53287496220223 0.33905348068370 15.999 16 O 0.39428710860900 0.03287496220223 0.66094651931630 15.999 17 O 0.89428710860900 0.03287496220223 0.83905348068370 15.999 18 O 0.10571289139100 0.53287496220223 0.16094651931630 15.999 19 O 0.39428710860900 0.46712503779777 0.66094651931630 15.999 20 O 0.60571289139100 0.96712503779777 0.33905348068370 15.999 21 O 0.26004472271892 0.25000000000000 0.30690820166634 15.999 22 O 0.73995527728108 0.75000000000000 0.69309179833366 15.999 23 O 0.76004472271892 0.25000000000000 0.19309179833366 15.999 24 O 0.23995527728108 0.75000000000000 0.80690820166634 15.999 25 O 0.48660489123480 0.25000000000000 0.14278973425581 15.999 26 O 0.51339510876520 0.75000000000000 0.85721026574419 15.999 27 O 0.98660489123480 0.25000000000000 0.35721026574419 15.999 28 O 0.01339510876520 0.75000000000000 0.64278973425581 15.999 29 O 0.16682198132670 0.47099494448079 0.48271173145763 15.999 30 O 0.83317801867330 0.97099494448079 0.51728826854237 15.999 31 O 0.66682198132670 0.02900505551921 0.01728826854237 15.999 32 O 0.33317801867330 0.52900505551921 0.98271173145763 15.999 33 S 0.49888376987557 0.25000000000000 0.65569418079681 32.065 34 S 0.50111623012443 0.75000000000000 0.34430581920319 32.065 35 S 0.99888376987557 0.25000000000000 0.84430581920319 32.065 36 S 0.00111623012443 0.75000000000000 0.15569418079681 32.065 37 S 0.35387289631529 0.75000000000000 0.90737391405635 32.065 38 S 0.64612710368471 0.25000000000000 0.09262608594365 32.065 39 S 0.85387289631529 0.75000000000000 0.59262608594365 32.065 40 S 0.14612710368471 0.25000000000000 0.40737391405635 32.065 41 Zr 0.25500779384704 0.75000000000000 0.60318793295738 91.224 42 Zr 0.74499220615296 0.25000000000000 0.39681206704262 91.224 43 Zr 0.75500779384704 0.75000000000000 0.89681206704262 91.224 44 Zr 0.24499220615296 0.25000000000000 0.10318793295738 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.640269529999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.930892099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.945529939999998 Atomic positions (fractional): 1 O 0.42780312416984 0.37500000000000 0.46670749402068 15.999 > 1 2 O 0.42780312416984 0.87500000000000 0.46670749402068 15.999 > 1 3 O 0.57219687583016 0.12500000000000 0.53329250597932 15.999 > 3 4 O 0.57219687583016 0.62500000000000 0.53329250597932 15.999 > 3 5 O 0.92780312416984 0.37500000000000 0.03329250597932 15.999 > 5 6 O 0.92780312416984 0.87500000000000 0.03329250597932 15.999 > 5 7 O 0.07219687583016 0.12500000000000 0.96670749402068 15.999 > 7 8 O 0.07219687583016 0.62500000000000 0.96670749402068 15.999 > 7 9 O 0.39402427484297 0.37500000000000 0.24464385612500 15.999 > 9 10 O 0.39402427484297 0.87500000000000 0.24464385612500 15.999 > 9 11 O 0.60597572515703 0.12500000000000 0.75535614387500 15.999 > 11 12 O 0.60597572515703 0.62500000000000 0.75535614387500 15.999 > 11 13 O 0.89402427484297 0.37500000000000 0.25535614387500 15.999 > 13 14 O 0.89402427484297 0.87500000000000 0.25535614387500 15.999 > 13 15 O 0.10597572515703 0.12500000000000 0.74464385612500 15.999 > 15 16 O 0.10597572515703 0.62500000000000 0.74464385612500 15.999 > 15 17 O 0.66682198132670 0.23549747224040 0.01728826854237 15.999 > 17 18 O 0.66682198132670 0.73549747224040 0.01728826854237 15.999 > 17 19 O 0.33317801867330 0.48549747224040 0.98271173145763 15.999 > 19 20 O 0.33317801867330 0.98549747224040 0.98271173145763 15.999 > 19 21 O 0.16682198132670 0.01450252775960 0.48271173145763 15.999 > 21 22 O 0.16682198132670 0.51450252775960 0.48271173145763 15.999 > 21 23 O 0.83317801867330 0.26450252775960 0.51728826854237 15.999 > 23 24 O 0.83317801867330 0.76450252775960 0.51728826854237 15.999 > 23 25 O 0.10571289139100 0.48356251889889 0.16094651931630 15.999 > 25 26 O 0.10571289139100 0.98356251889889 0.16094651931630 15.999 > 25 27 O 0.89428710860900 0.23356251889889 0.83905348068370 15.999 > 27 28 O 0.89428710860900 0.73356251889889 0.83905348068370 15.999 > 27 29 O 0.60571289139100 0.26643748110111 0.33905348068370 15.999 > 29 30 O 0.60571289139100 0.76643748110111 0.33905348068370 15.999 > 29 31 O 0.39428710860900 0.01643748110111 0.66094651931630 15.999 > 31 32 O 0.39428710860900 0.51643748110111 0.66094651931630 15.999 > 31 33 O 0.89428710860900 0.01643748110111 0.83905348068370 15.999 > 33 34 O 0.89428710860900 0.51643748110111 0.83905348068370 15.999 > 33 35 O 0.10571289139100 0.26643748110111 0.16094651931630 15.999 > 35 36 O 0.10571289139100 0.76643748110111 0.16094651931630 15.999 > 35 37 O 0.39428710860900 0.23356251889889 0.66094651931630 15.999 > 37 38 O 0.39428710860900 0.73356251889889 0.66094651931630 15.999 > 37 39 O 0.60571289139100 0.48356251889889 0.33905348068370 15.999 > 39 40 O 0.60571289139100 0.98356251889889 0.33905348068370 15.999 > 39 41 O 0.26004472271892 0.12500000000000 0.30690820166634 15.999 > 41 42 O 0.26004472271892 0.62500000000000 0.30690820166634 15.999 > 41 43 O 0.73995527728108 0.37500000000000 0.69309179833366 15.999 > 43 44 O 0.73995527728108 0.87500000000000 0.69309179833366 15.999 > 43 45 O 0.76004472271892 0.12500000000000 0.19309179833366 15.999 > 45 46 O 0.76004472271892 0.62500000000000 0.19309179833366 15.999 > 45 47 O 0.23995527728108 0.37500000000000 0.80690820166634 15.999 > 47 48 O 0.23995527728108 0.87500000000000 0.80690820166634 15.999 > 47 49 O 0.48660489123480 0.12500000000000 0.14278973425581 15.999 > 49 50 O 0.48660489123480 0.62500000000000 0.14278973425581 15.999 > 49 51 O 0.51339510876520 0.37500000000000 0.85721026574419 15.999 > 51 52 O 0.51339510876520 0.87500000000000 0.85721026574419 15.999 > 51 53 O 0.98660489123480 0.12500000000000 0.35721026574419 15.999 > 53 54 O 0.98660489123480 0.62500000000000 0.35721026574419 15.999 > 53 55 O 0.01339510876520 0.37500000000000 0.64278973425581 15.999 > 55 56 O 0.01339510876520 0.87500000000000 0.64278973425581 15.999 > 55 57 O 0.16682198132670 0.23549747224040 0.48271173145763 15.999 > 57 58 O 0.16682198132670 0.73549747224040 0.48271173145763 15.999 > 57 59 O 0.83317801867330 0.48549747224040 0.51728826854237 15.999 > 59 60 O 0.83317801867330 0.98549747224040 0.51728826854237 15.999 > 59 61 O 0.66682198132670 0.01450252775960 0.01728826854237 15.999 > 61 62 O 0.66682198132670 0.51450252775960 0.01728826854237 15.999 > 61 63 O 0.33317801867330 0.26450252775960 0.98271173145763 15.999 > 63 64 O 0.33317801867330 0.76450252775960 0.98271173145763 15.999 > 63 65 S 0.49888376987557 0.12500000000000 0.65569418079681 32.065 > 65 66 S 0.49888376987557 0.62500000000000 0.65569418079681 32.065 > 65 67 S 0.50111623012443 0.37500000000000 0.34430581920319 32.065 > 67 68 S 0.50111623012443 0.87500000000000 0.34430581920319 32.065 > 67 69 S 0.99888376987557 0.12500000000000 0.84430581920319 32.065 > 69 70 S 0.99888376987557 0.62500000000000 0.84430581920319 32.065 > 69 71 S 0.00111623012443 0.37500000000000 0.15569418079681 32.065 > 71 72 S 0.00111623012443 0.87500000000000 0.15569418079681 32.065 > 71 73 S 0.35387289631529 0.37500000000000 0.90737391405635 32.065 > 73 74 S 0.35387289631529 0.87500000000000 0.90737391405635 32.065 > 73 75 S 0.64612710368471 0.12500000000000 0.09262608594365 32.065 > 75 76 S 0.64612710368471 0.62500000000000 0.09262608594365 32.065 > 75 77 S 0.85387289631529 0.37500000000000 0.59262608594365 32.065 > 77 78 S 0.85387289631529 0.87500000000000 0.59262608594365 32.065 > 77 79 S 0.14612710368471 0.12500000000000 0.40737391405635 32.065 > 79 80 S 0.14612710368471 0.62500000000000 0.40737391405635 32.065 > 79 81 Zr 0.25500779384704 0.37500000000000 0.60318793295738 91.224 > 81 82 Zr 0.25500779384704 0.87500000000000 0.60318793295738 91.224 > 81 83 Zr 0.74499220615296 0.12500000000000 0.39681206704262 91.224 > 83 84 Zr 0.74499220615296 0.62500000000000 0.39681206704262 91.224 > 83 85 Zr 0.75500779384704 0.37500000000000 0.89681206704262 91.224 > 85 86 Zr 0.75500779384704 0.87500000000000 0.89681206704262 91.224 > 85 87 Zr 0.24499220615296 0.12500000000000 0.10318793295738 91.224 > 87 88 Zr 0.24499220615296 0.62500000000000 0.10318793295738 91.224 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5557653 0.0000000 0.0000000 0.0000000 3.6403964 0.0000000 0.0000000 0.0000000 3.3901521 -------------------------- Born effective charges -------------------------- 1 O -2.0090335 0.0000000 1.6447924 0.0000000 -1.0714193 0.0000000 1.1014420 0.0000000 -2.5588845 2 O -2.0090335 0.0000000 1.6447924 0.0000000 -1.0714193 0.0000000 1.1014420 0.0000000 -2.5588845 3 O -2.0090335 0.0000000 -1.6447924 0.0000000 -1.0714193 0.0000000 -1.1014420 0.0000000 -2.5588845 4 O -2.0090335 0.0000000 -1.6447924 0.0000000 -1.0714193 0.0000000 -1.1014420 0.0000000 -2.5588845 5 O -1.2972574 0.0000000 -0.3539015 0.0000000 -1.1211042 0.0000000 -0.5592203 0.0000000 -1.4574309 6 O -1.2972574 0.0000000 -0.3539015 0.0000000 -1.1211042 0.0000000 -0.5592203 0.0000000 -1.4574309 7 O -1.2972574 0.0000000 0.3539015 0.0000000 -1.1211042 0.0000000 0.5592203 0.0000000 -1.4574309 8 O -1.2972574 0.0000000 0.3539015 0.0000000 -1.1211042 0.0000000 0.5592203 0.0000000 -1.4574309 9 O -1.2077852 -0.7456954 0.6645442 -0.4666930 -2.7712439 1.3875909 0.2393778 1.2121769 -1.9085208 10 O -1.2077852 0.7456954 0.6645442 0.4666930 -2.7712439 -1.3875909 0.2393778 -1.2121769 -1.9085208 11 O -1.2077852 0.7456954 -0.6645442 0.4666930 -2.7712439 1.3875909 -0.2393778 1.2121769 -1.9085208 12 O -1.2077852 -0.7456954 -0.6645442 -0.4666930 -2.7712439 -1.3875909 -0.2393778 -1.2121769 -1.9085208 13 O -2.0502659 -1.3086642 0.1654274 -1.7353334 -3.2452132 0.3038612 0.1802934 0.2132874 -1.0611268 14 O -2.0502659 1.3086642 0.1654274 1.7353334 -3.2452132 -0.3038612 0.1802934 -0.2132874 -1.0611268 15 O -2.0502659 1.3086642 -0.1654274 1.7353334 -3.2452132 0.3038612 -0.1802934 0.2132874 -1.0611268 16 O -2.0502659 -1.3086642 -0.1654274 -1.7353334 -3.2452132 -0.3038612 -0.1802934 -0.2132874 -1.0611268 17 O -2.0502659 -1.3086642 0.1654274 -1.7353334 -3.2452132 0.3038612 0.1802934 0.2132874 -1.0611268 18 O -2.0502659 1.3086642 0.1654274 1.7353334 -3.2452132 -0.3038612 0.1802934 -0.2132874 -1.0611268 19 O -2.0502659 1.3086642 -0.1654274 1.7353334 -3.2452132 0.3038612 -0.1802934 0.2132874 -1.0611268 20 O -2.0502659 -1.3086642 -0.1654274 -1.7353334 -3.2452132 -0.3038612 -0.1802934 -0.2132874 -1.0611268 21 O -1.4102831 0.0000000 0.4521188 0.0000000 -1.0119958 0.0000000 0.9017792 0.0000000 -3.0879386 22 O -1.4102831 0.0000000 0.4521188 0.0000000 -1.0119958 0.0000000 0.9017792 0.0000000 -3.0879386 23 O -1.4102831 0.0000000 -0.4521188 0.0000000 -1.0119958 0.0000000 -0.9017792 0.0000000 -3.0879386 24 O -1.4102831 0.0000000 -0.4521188 0.0000000 -1.0119958 0.0000000 -0.9017792 0.0000000 -3.0879386 25 O -3.9033622 0.0000000 0.4148082 0.0000000 -1.0008272 0.0000000 0.0203873 0.0000000 -1.1277249 26 O -3.9033622 0.0000000 0.4148082 0.0000000 -1.0008272 0.0000000 0.0203873 0.0000000 -1.1277249 27 O -3.9033622 0.0000000 -0.4148082 0.0000000 -1.0008272 0.0000000 -0.0203873 0.0000000 -1.1277249 28 O -3.9033622 0.0000000 -0.4148082 0.0000000 -1.0008272 0.0000000 -0.0203873 0.0000000 -1.1277249 29 O -1.2077852 -0.7456954 -0.6645442 -0.4666930 -2.7712439 -1.3875909 -0.2393778 -1.2121769 -1.9085208 30 O -1.2077852 0.7456954 -0.6645442 0.4666930 -2.7712439 1.3875909 -0.2393778 1.2121769 -1.9085208 31 O -1.2077852 0.7456954 0.6645442 0.4666930 -2.7712439 -1.3875909 0.2393778 -1.2121769 -1.9085208 32 O -1.2077852 -0.7456954 0.6645442 -0.4666930 -2.7712439 1.3875909 0.2393778 1.2121769 -1.9085208 33 S 4.4264929 0.0000000 -0.8935109 0.0000000 5.1044923 0.0000000 0.1051620 0.0000000 3.7346305 34 S 4.4264929 0.0000000 -0.8935109 0.0000000 5.1044923 0.0000000 0.1051620 0.0000000 3.7346305 35 S 4.4264929 0.0000000 0.8935109 0.0000000 5.1044923 0.0000000 -0.1051620 0.0000000 3.7346305 36 S 4.4264929 0.0000000 0.8935109 0.0000000 5.1044923 0.0000000 -0.1051620 0.0000000 3.7346305 37 S 4.4082747 0.0000000 -1.0199235 0.0000000 4.6109368 0.0000000 0.7736435 0.0000000 4.6376549 38 S 4.4082747 0.0000000 -1.0199235 0.0000000 4.6109368 0.0000000 0.7736435 0.0000000 4.6376549 39 S 4.4082747 0.0000000 1.0199235 0.0000000 4.6109368 0.0000000 -0.7736435 0.0000000 4.6376549 40 S 4.4082747 0.0000000 1.0199235 0.0000000 4.6109368 0.0000000 -0.7736435 0.0000000 4.6376549 41 Zr 6.3012708 0.0000000 0.3167261 0.0000000 6.5228317 0.0000000 -0.1154026 0.0000000 5.7989887 42 Zr 6.3012708 0.0000000 0.3167261 0.0000000 6.5228317 0.0000000 -0.1154026 0.0000000 5.7989887 43 Zr 6.3012708 0.0000000 -0.3167261 0.0000000 6.5228317 0.0000000 0.1154026 0.0000000 5.7989887 44 Zr 6.3012708 0.0000000 -0.3167261 0.0000000 6.5228317 0.0000000 0.1154026 0.0000000 5.7989887 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.319 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.066 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 7.838 ( 0.000 0.000 0.000) 0.000 7.881 ( 0.000 0.000 0.000) 0.000 8.345 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.584 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.214 ( 0.000 0.000 0.000) 0.000 9.531 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 12.060 ( 0.000 0.000 0.000) 0.000 12.090 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 12.149 ( 0.000 0.000 0.000) 0.000 12.363 ( 0.000 0.000 0.000) 0.000 12.487 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 12.893 ( 0.000 0.000 0.000) 0.000 12.938 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.100 ( 0.000 0.000 0.000) 0.000 13.311 ( 0.000 0.000 0.000) 0.000 13.673 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 16.648 ( 0.000 0.000 0.000) 0.000 16.684 ( 0.000 0.000 0.000) 0.000 16.779 ( 0.000 0.000 0.000) 0.000 16.873 ( 0.000 0.000 0.000) 0.000 17.374 ( 0.000 0.000 0.000) 0.000 17.397 ( 0.000 0.000 0.000) 0.000 17.514 ( 0.000 0.000 0.000) 0.000 17.556 ( 0.000 0.000 0.000) 0.000 17.825 ( 0.000 0.000 0.000) 0.000 17.872 ( 0.000 0.000 0.000) 0.000 17.930 ( 0.000 0.000 0.000) 0.000 17.962 ( 0.000 0.000 0.000) 0.000 17.978 ( 0.000 0.000 0.000) 0.000 18.299 ( 0.000 0.000 0.000) 0.000 18.321 ( 0.000 0.000 0.000) 0.000 18.454 ( 0.000 0.000 0.000) 0.000 18.467 ( 0.000 0.000 0.000) 0.000 18.537 ( 0.000 0.000 0.000) 0.000 18.543 ( 0.000 0.000 0.000) 0.000 18.547 ( 0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 18.721 ( 0.000 0.000 0.000) 0.000 18.791 ( 0.000 0.000 0.000) 0.000 18.851 ( 0.000 0.000 0.000) 0.000 28.565 ( 0.000 0.000 0.000) 0.000 28.604 ( 0.000 0.000 0.000) 0.000 28.611 ( 0.000 0.000 0.000) 0.000 28.682 ( 0.000 0.000 0.000) 0.000 29.548 ( 0.000 0.000 0.000) 0.000 29.705 ( 0.000 0.000 0.000) 0.000 30.153 ( 0.000 0.000 0.000) 0.000 30.241 ( 0.000 0.000 0.000) 0.000 30.279 ( 0.000 0.000 0.000) 0.000 30.435 ( 0.000 0.000 0.000) 0.000 30.576 ( 0.000 0.000 0.000) 0.000 30.818 ( 0.000 0.000 0.000) 0.000 30.838 ( 0.000 0.000 0.000) 0.000 30.936 ( 0.000 0.000 0.000) 0.000 30.989 ( 0.000 0.000 0.000) 0.000 31.249 ( 0.000 0.000 0.000) 0.000 31.306 ( 0.000 0.000 0.000) 0.000 31.336 ( 0.000 0.000 0.000) 0.000 31.544 ( 0.000 0.000 0.000) 0.000 31.600 ( 0.000 0.000 0.000) 0.000 31.679 ( 0.000 0.000 0.000) 0.000 31.793 ( 0.000 0.000 0.000) 0.000 31.849 ( 0.000 0.000 0.000) 0.000 32.011 ( 0.000 0.000 0.000) 0.000 32.399 ( 0.000 0.000 0.000) 0.000 33.895 ( 0.000 0.000 0.000) 0.000 35.219 ( 0.000 0.000 0.000) 0.000 36.472 ( 0.000 0.000 0.000) 0.000 37.614 ( 0.000 0.000 0.000) 0.000 37.943 ( 0.000 0.000 0.000) 0.000 38.160 ( 0.000 0.000 0.000) 0.000 39.019 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 32.216 0.000 0.000) 32.216 0.659 ( 32.254 0.000 0.000) 32.254 0.862 ( 44.093 0.000 0.000) 44.093 1.360 ( 4.325 0.000 0.000) 4.325 1.576 ( 6.630 0.000 0.000) 6.630 1.944 ( -0.636 0.000 0.000) 0.636 2.220 ( -14.216 0.000 0.000) 14.216 2.332 ( -12.997 0.000 0.000) 12.997 2.430 ( -2.560 0.000 0.000) 2.560 2.567 ( 1.196 0.000 0.000) 1.196 2.659 ( 5.631 0.000 0.000) 5.631 2.891 ( 13.939 0.000 0.000) 13.939 2.949 ( -4.360 0.000 0.000) 4.360 3.033 ( 0.152 0.000 0.000) 0.152 3.275 ( -1.287 0.000 0.000) 1.287 3.459 ( -7.498 0.000 0.000) 7.498 3.763 ( -6.427 0.000 0.000) 6.427 4.064 ( -8.949 0.000 0.000) 8.949 4.294 ( -12.930 0.000 0.000) 12.930 4.478 ( 3.912 0.000 0.000) 3.912 4.541 ( 6.457 0.000 0.000) 6.457 4.673 ( -12.945 0.000 0.000) 12.945 4.968 ( -1.941 0.000 0.000) 1.941 5.265 ( -11.660 0.000 0.000) 11.660 5.291 ( 7.624 0.000 0.000) 7.624 5.307 ( -36.305 0.000 0.000) 36.305 5.325 ( -13.154 0.000 0.000) 13.154 5.544 ( 4.354 0.000 0.000) 4.354 5.745 ( -0.569 0.000 0.000) 0.569 5.897 ( -4.091 0.000 0.000) 4.091 5.967 ( 5.636 0.000 0.000) 5.636 6.039 ( -6.147 0.000 0.000) 6.147 6.200 ( 3.426 0.000 0.000) 3.426 6.438 ( 12.552 0.000 0.000) 12.552 6.453 ( 9.974 0.000 0.000) 9.974 6.547 ( -14.499 0.000 0.000) 14.499 6.632 ( -17.487 0.000 0.000) 17.487 6.722 ( 6.251 0.000 0.000) 6.251 6.824 ( 6.487 0.000 0.000) 6.487 7.096 ( 6.531 0.000 0.000) 6.531 7.105 ( -2.334 0.000 0.000) 2.334 7.187 ( -3.837 0.000 0.000) 3.837 7.264 ( 0.065 0.000 0.000) 0.065 7.368 ( 8.693 0.000 0.000) 8.693 7.461 ( -0.311 0.000 0.000) 0.311 7.575 ( 13.563 0.000 0.000) 13.563 7.719 ( -2.823 0.000 0.000) 2.823 7.721 ( 3.686 0.000 0.000) 3.686 7.782 ( -0.319 0.000 0.000) 0.319 7.836 ( 9.875 0.000 0.000) 9.875 7.841 ( -0.061 0.000 0.000) 0.061 8.293 ( -3.965 0.000 0.000) 3.965 8.493 ( -9.288 0.000 0.000) 9.288 8.510 ( 2.779 0.000 0.000) 2.779 8.837 ( -5.865 0.000 0.000) 5.865 9.239 ( 14.463 0.000 0.000) 14.463 9.245 ( -22.065 0.000 0.000) 22.065 9.768 ( 21.362 0.000 0.000) 21.362 9.972 ( 12.343 0.000 0.000) 12.343 10.958 ( -0.897 0.000 0.000) 0.897 12.078 ( 1.409 0.000 0.000) 1.409 12.089 ( -0.145 0.000 0.000) 0.145 12.133 ( 1.557 0.000 0.000) 1.557 12.139 ( -0.964 0.000 0.000) 0.964 12.351 ( -0.978 0.000 0.000) 0.978 12.455 ( -2.859 0.000 0.000) 2.859 12.678 ( -2.030 0.000 0.000) 2.030 12.791 ( -0.553 0.000 0.000) 0.553 12.936 ( -0.468 0.000 0.000) 0.468 12.945 ( 4.942 0.000 0.000) 4.942 13.034 ( 4.504 0.000 0.000) 4.504 13.042 ( -5.041 0.000 0.000) 5.041 13.229 ( 2.499 0.000 0.000) 2.499 13.321 ( 0.921 0.000 0.000) 0.921 13.657 ( -1.537 0.000 0.000) 1.537 13.756 ( -2.349 0.000 0.000) 2.349 16.680 ( 3.130 0.000 0.000) 3.130 16.782 ( 0.472 0.000 0.000) 0.472 16.869 ( -0.330 0.000 0.000) 0.330 16.960 ( 1.838 0.000 0.000) 1.838 17.366 ( -4.080 0.000 0.000) 4.080 17.390 ( 1.437 0.000 0.000) 1.437 17.497 ( -1.560 0.000 0.000) 1.560 17.561 ( -0.471 0.000 0.000) 0.471 17.830 ( 0.441 0.000 0.000) 0.441 17.863 ( -0.695 0.000 0.000) 0.695 17.980 ( 1.561 0.000 0.000) 1.561 17.984 ( 0.619 0.000 0.000) 0.619 17.990 ( 5.613 0.000 0.000) 5.613 18.248 ( -4.993 0.000 0.000) 4.993 18.262 ( -3.391 0.000 0.000) 3.391 18.457 ( 0.250 0.000 0.000) 0.250 18.518 ( -1.287 0.000 0.000) 1.287 18.544 ( 4.949 0.000 0.000) 4.949 18.559 ( 1.065 0.000 0.000) 1.065 18.560 ( 0.751 0.000 0.000) 0.751 18.672 ( -1.328 0.000 0.000) 1.328 18.719 ( -6.803 0.000 0.000) 6.803 18.763 ( 3.051 0.000 0.000) 3.051 18.840 ( -0.931 0.000 0.000) 0.931 28.567 ( 0.196 0.000 0.000) 0.196 28.607 ( -0.403 0.000 0.000) 0.403 28.610 ( 0.582 0.000 0.000) 0.582 28.677 ( -0.506 0.000 0.000) 0.506 29.557 ( 1.072 0.000 0.000) 1.072 29.714 ( 0.851 0.000 0.000) 0.851 30.064 ( -6.488 0.000 0.000) 6.488 30.128 ( -9.983 0.000 0.000) 9.983 30.396 ( 0.978 0.000 0.000) 0.978 30.555 ( 5.175 0.000 0.000) 5.175 30.693 ( 5.197 0.000 0.000) 5.197 30.813 ( -2.004 0.000 0.000) 2.004 30.948 ( 4.283 0.000 0.000) 4.283 31.011 ( 2.923 0.000 0.000) 2.923 31.207 ( -3.482 0.000 0.000) 3.482 31.242 ( -0.751 0.000 0.000) 0.751 31.524 ( 11.368 0.000 0.000) 11.368 31.553 ( 0.895 0.000 0.000) 0.895 31.604 ( 0.342 0.000 0.000) 0.342 31.692 ( 1.441 0.000 0.000) 1.441 31.788 ( -0.374 0.000 0.000) 0.374 31.840 ( -0.935 0.000 0.000) 0.935 32.032 ( 2.098 0.000 0.000) 2.098 32.362 ( -3.605 0.000 0.000) 3.605 34.004 ( 11.149 0.000 0.000) 11.149 34.711 ( -0.211 0.000 0.000) 0.211 35.239 ( 2.392 0.000 0.000) 2.392 36.811 ( -27.865 0.000 0.000) 27.865 37.842 ( 14.761 0.000 0.000) 14.761 38.160 ( -0.048 0.000 0.000) 0.048 38.374 ( 1.419 0.000 0.000) 1.419 38.961 ( -5.776 0.000 0.000) 5.776 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 20.821 0.000 0.000) 20.821 1.202 ( 23.365 0.000 0.000) 23.365 1.465 ( 5.272 0.000 0.000) 5.272 1.591 ( 20.500 0.000 0.000) 20.500 1.720 ( 7.447 0.000 0.000) 7.447 1.918 ( -2.365 0.000 0.000) 2.365 1.986 ( -5.854 0.000 0.000) 5.854 2.058 ( -6.925 0.000 0.000) 6.925 2.389 ( -0.311 0.000 0.000) 0.311 2.583 ( 3.961 0.000 0.000) 3.961 2.712 ( -8.413 0.000 0.000) 8.413 2.852 ( 2.598 0.000 0.000) 2.598 3.021 ( -1.724 0.000 0.000) 1.724 3.198 ( 16.923 0.000 0.000) 16.923 3.334 ( 7.788 0.000 0.000) 7.788 3.407 ( 2.885 0.000 0.000) 2.885 3.550 ( -17.669 0.000 0.000) 17.669 3.832 ( -14.215 0.000 0.000) 14.215 3.992 ( -16.628 0.000 0.000) 16.628 4.201 ( -32.369 0.000 0.000) 32.369 4.583 ( 6.925 0.000 0.000) 6.925 4.608 ( 0.749 0.000 0.000) 0.749 4.794 ( -15.173 0.000 0.000) 15.173 4.953 ( 0.707 0.000 0.000) 0.707 4.984 ( -14.217 0.000 0.000) 14.217 5.131 ( -8.356 0.000 0.000) 8.356 5.449 ( 8.072 0.000 0.000) 8.072 5.698 ( -4.320 0.000 0.000) 4.320 5.702 ( 11.214 0.000 0.000) 11.214 5.840 ( -0.628 0.000 0.000) 0.628 5.983 ( 0.509 0.000 0.000) 0.509 6.027 ( -3.249 0.000 0.000) 3.249 6.153 ( -5.288 0.000 0.000) 5.288 6.224 ( -15.989 0.000 0.000) 15.989 6.417 ( 0.640 0.000 0.000) 0.640 6.671 ( 11.052 0.000 0.000) 11.052 6.701 ( 11.978 0.000 0.000) 11.978 6.839 ( -6.850 0.000 0.000) 6.850 6.858 ( 5.864 0.000 0.000) 5.864 7.083 ( -0.460 0.000 0.000) 0.460 7.085 ( -6.576 0.000 0.000) 6.576 7.152 ( -4.378 0.000 0.000) 4.378 7.254 ( 8.743 0.000 0.000) 8.743 7.441 ( -1.904 0.000 0.000) 1.904 7.506 ( -1.904 0.000 0.000) 1.904 7.678 ( -3.060 0.000 0.000) 3.060 7.698 ( 2.243 0.000 0.000) 2.243 7.776 ( -0.176 0.000 0.000) 0.176 7.836 ( 0.080 0.000 0.000) 0.080 7.867 ( 21.724 0.000 0.000) 21.724 8.152 ( 12.849 0.000 0.000) 12.849 8.244 ( -15.679 0.000 0.000) 15.679 8.266 ( 1.601 0.000 0.000) 1.601 8.559 ( 2.325 0.000 0.000) 2.325 8.708 ( -6.539 0.000 0.000) 6.539 8.807 ( -23.459 0.000 0.000) 23.459 9.615 ( 21.991 0.000 0.000) 21.991 10.103 ( 0.581 0.000 0.000) 0.581 10.229 ( 24.141 0.000 0.000) 24.141 10.885 ( -7.722 0.000 0.000) 7.722 12.087 ( 0.073 0.000 0.000) 0.073 12.116 ( -1.287 0.000 0.000) 1.287 12.117 ( 2.434 0.000 0.000) 2.434 12.162 ( 1.021 0.000 0.000) 1.021 12.339 ( 0.007 0.000 0.000) 0.007 12.397 ( -2.806 0.000 0.000) 2.806 12.654 ( 0.177 0.000 0.000) 0.177 12.765 ( -2.554 0.000 0.000) 2.554 12.916 ( -1.394 0.000 0.000) 1.394 12.938 ( -4.533 0.000 0.000) 4.533 13.057 ( 5.822 0.000 0.000) 5.822 13.122 ( 3.568 0.000 0.000) 3.568 13.284 ( 2.888 0.000 0.000) 2.888 13.337 ( 0.382 0.000 0.000) 0.382 13.626 ( -1.153 0.000 0.000) 1.153 13.695 ( -3.632 0.000 0.000) 3.632 16.757 ( 4.304 0.000 0.000) 4.304 16.797 ( 0.942 0.000 0.000) 0.942 16.864 ( 0.057 0.000 0.000) 0.057 16.965 ( -2.015 0.000 0.000) 2.015 17.327 ( 0.557 0.000 0.000) 0.557 17.411 ( -0.312 0.000 0.000) 0.312 17.470 ( -0.184 0.000 0.000) 0.184 17.536 ( -1.854 0.000 0.000) 1.854 17.839 ( 0.417 0.000 0.000) 0.417 17.852 ( -0.431 0.000 0.000) 0.431 18.000 ( 0.961 0.000 0.000) 0.961 18.008 ( 1.042 0.000 0.000) 1.042 18.102 ( 4.056 0.000 0.000) 4.056 18.166 ( -3.272 0.000 0.000) 3.272 18.223 ( 1.405 0.000 0.000) 1.405 18.464 ( 0.483 0.000 0.000) 0.483 18.494 ( -1.149 0.000 0.000) 1.149 18.527 ( -8.925 0.000 0.000) 8.925 18.576 ( 0.988 0.000 0.000) 0.988 18.578 ( 1.107 0.000 0.000) 1.107 18.628 ( -0.259 0.000 0.000) 0.259 18.638 ( -2.000 0.000 0.000) 2.000 18.825 ( 2.744 0.000 0.000) 2.744 18.835 ( 0.791 0.000 0.000) 0.791 28.573 ( 0.454 0.000 0.000) 0.454 28.597 ( -0.645 0.000 0.000) 0.645 28.625 ( 0.941 0.000 0.000) 0.941 28.663 ( -0.882 0.000 0.000) 0.882 29.598 ( 3.314 0.000 0.000) 3.314 29.727 ( -0.180 0.000 0.000) 0.180 29.949 ( -7.062 0.000 0.000) 7.062 29.954 ( -4.601 0.000 0.000) 4.601 30.455 ( 4.289 0.000 0.000) 4.289 30.594 ( -0.937 0.000 0.000) 0.937 30.732 ( 0.149 0.000 0.000) 0.149 30.771 ( -2.227 0.000 0.000) 2.227 31.053 ( 5.505 0.000 0.000) 5.505 31.095 ( 4.819 0.000 0.000) 4.819 31.165 ( -1.338 0.000 0.000) 1.338 31.220 ( -1.554 0.000 0.000) 1.554 31.575 ( 1.342 0.000 0.000) 1.342 31.608 ( -0.016 0.000 0.000) 0.016 31.710 ( 6.871 0.000 0.000) 6.871 31.735 ( 2.743 0.000 0.000) 2.743 31.783 ( -0.014 0.000 0.000) 0.014 31.817 ( -1.384 0.000 0.000) 1.384 32.087 ( 3.488 0.000 0.000) 3.488 32.271 ( -5.451 0.000 0.000) 5.451 34.296 ( 17.368 0.000 0.000) 17.368 34.689 ( -2.554 0.000 0.000) 2.554 35.341 ( 9.505 0.000 0.000) 9.505 36.222 ( -31.595 0.000 0.000) 31.595 38.065 ( 7.500 0.000 0.000) 7.500 38.157 ( -0.252 0.000 0.000) 0.252 38.443 ( 6.371 0.000 0.000) 6.371 38.809 ( -9.515 0.000 0.000) 9.515 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -13.518 0.000 0.000) 13.518 1.479 ( 13.518 0.000 0.000) 13.518 1.487 ( -5.422 0.000 0.000) 5.422 1.487 ( 5.422 0.000 0.000) 5.422 1.845 ( -5.274 0.000 0.000) 5.274 1.845 ( 5.274 0.000 0.000) 5.274 2.050 ( -6.970 0.000 0.000) 6.970 2.050 ( 6.970 0.000 0.000) 6.970 2.479 ( -10.314 0.000 0.000) 10.314 2.479 ( 10.314 0.000 0.000) 10.314 2.957 ( -5.013 0.000 0.000) 5.013 2.957 ( 5.013 0.000 0.000) 5.013 2.998 ( -35.124 0.000 0.000) 35.124 2.998 ( 35.124 0.000 0.000) 35.124 3.470 ( -4.912 0.000 0.000) 4.912 3.470 ( 4.912 0.000 0.000) 4.912 3.552 ( -13.878 0.000 0.000) 13.878 3.552 ( 13.878 0.000 0.000) 13.878 3.780 ( -3.678 0.000 0.000) 3.678 3.780 ( 3.678 0.000 0.000) 3.678 4.630 ( -3.360 0.000 0.000) 3.360 4.630 ( 3.360 0.000 0.000) 3.360 4.748 ( -10.279 0.000 0.000) 10.279 4.748 ( 10.279 0.000 0.000) 10.279 5.003 ( -4.630 0.000 0.000) 4.630 5.003 ( 4.630 0.000 0.000) 4.630 5.591 ( -6.527 0.000 0.000) 6.527 5.591 ( 6.527 0.000 0.000) 6.527 5.889 ( -3.896 0.000 0.000) 3.896 5.889 ( 3.896 0.000 0.000) 3.896 5.950 ( -11.003 0.000 0.000) 11.003 5.950 ( 11.003 0.000 0.000) 11.003 6.045 ( -5.159 0.000 0.000) 5.159 6.045 ( 5.159 0.000 0.000) 5.159 6.610 ( -14.329 0.000 0.000) 14.329 6.610 ( 14.329 0.000 0.000) 14.329 6.825 ( -2.767 0.000 0.000) 2.767 6.825 ( 2.767 0.000 0.000) 2.767 6.945 ( -6.874 0.000 0.000) 6.874 6.945 ( 6.874 0.000 0.000) 6.874 7.093 ( -1.796 0.000 0.000) 1.796 7.093 ( 1.796 0.000 0.000) 1.796 7.382 ( -4.413 0.000 0.000) 4.413 7.382 ( 4.413 0.000 0.000) 4.413 7.554 ( -6.704 0.000 0.000) 6.704 7.554 ( 6.704 0.000 0.000) 6.704 7.770 ( -1.302 0.000 0.000) 1.302 7.770 ( 1.302 0.000 0.000) 1.302 7.939 ( -13.478 0.000 0.000) 13.478 7.939 ( 13.478 0.000 0.000) 13.478 8.276 ( -5.029 0.000 0.000) 5.029 8.276 ( 5.029 0.000 0.000) 5.029 8.345 ( -21.667 0.000 0.000) 21.667 8.345 ( 21.667 0.000 0.000) 21.667 8.611 ( -3.538 0.000 0.000) 3.538 8.611 ( 3.538 0.000 0.000) 3.538 9.978 ( -13.539 0.000 0.000) 13.539 9.978 ( 13.539 0.000 0.000) 13.539 10.641 ( -17.536 0.000 0.000) 17.536 10.641 ( 17.536 0.000 0.000) 17.536 12.095 ( -0.774 0.000 0.000) 0.774 12.095 ( 0.774 0.000 0.000) 0.774 12.159 ( -1.430 0.000 0.000) 1.430 12.159 ( 1.430 0.000 0.000) 1.430 12.354 ( -1.553 0.000 0.000) 1.553 12.354 ( 1.553 0.000 0.000) 1.553 12.695 ( -3.792 0.000 0.000) 3.792 12.695 ( 3.792 0.000 0.000) 3.792 12.897 ( -0.018 0.000 0.000) 0.018 12.897 ( 0.018 0.000 0.000) 0.018 13.140 ( -2.050 0.000 0.000) 2.050 13.140 ( 2.050 0.000 0.000) 2.050 13.328 ( -1.444 0.000 0.000) 1.444 13.328 ( 1.444 0.000 0.000) 1.444 13.634 ( -2.120 0.000 0.000) 2.120 13.634 ( 2.120 0.000 0.000) 2.120 16.808 ( -0.366 0.000 0.000) 0.366 16.808 ( 0.366 0.000 0.000) 0.366 16.898 ( -3.801 0.000 0.000) 3.801 16.898 ( 3.801 0.000 0.000) 3.801 17.370 ( -2.990 0.000 0.000) 2.990 17.370 ( 2.990 0.000 0.000) 2.990 17.497 ( -2.039 0.000 0.000) 2.039 17.497 ( 2.039 0.000 0.000) 2.039 17.845 ( -0.270 0.000 0.000) 0.270 17.845 ( 0.270 0.000 0.000) 0.270 18.015 ( -0.326 0.000 0.000) 0.326 18.015 ( 0.326 0.000 0.000) 0.326 18.127 ( -0.763 0.000 0.000) 0.763 18.127 ( 0.763 0.000 0.000) 0.763 18.344 ( -9.024 0.000 0.000) 9.024 18.344 ( 9.024 0.000 0.000) 9.024 18.475 ( -0.760 0.000 0.000) 0.760 18.475 ( 0.760 0.000 0.000) 0.760 18.601 ( -1.692 0.000 0.000) 1.692 18.601 ( 1.692 0.000 0.000) 1.692 18.606 ( -1.713 0.000 0.000) 1.713 18.606 ( 1.713 0.000 0.000) 1.713 18.852 ( -0.100 0.000 0.000) 0.100 18.852 ( 0.100 0.000 0.000) 0.100 28.584 ( -0.648 0.000 0.000) 0.648 28.584 ( 0.648 0.000 0.000) 0.648 28.644 ( -1.039 0.000 0.000) 1.039 28.644 ( 1.039 0.000 0.000) 1.039 29.679 ( -4.412 0.000 0.000) 4.412 29.679 ( 4.412 0.000 0.000) 4.412 29.894 ( -1.069 0.000 0.000) 1.069 29.894 ( 1.069 0.000 0.000) 1.069 30.541 ( -4.122 0.000 0.000) 4.122 30.541 ( 4.122 0.000 0.000) 4.122 30.738 ( -0.933 0.000 0.000) 0.933 30.738 ( 0.933 0.000 0.000) 0.933 31.129 ( -2.262 0.000 0.000) 2.262 31.129 ( 2.262 0.000 0.000) 2.262 31.178 ( -2.911 0.000 0.000) 2.911 31.178 ( 2.911 0.000 0.000) 2.911 31.599 ( -0.961 0.000 0.000) 0.961 31.599 ( 0.961 0.000 0.000) 0.961 31.772 ( -0.172 0.000 0.000) 0.172 31.772 ( 0.172 0.000 0.000) 0.172 31.792 ( -0.968 0.000 0.000) 0.968 31.792 ( 0.968 0.000 0.000) 0.968 32.168 ( -4.911 0.000 0.000) 4.911 32.168 ( 4.911 0.000 0.000) 4.911 34.578 ( -10.079 0.000 0.000) 10.079 34.578 ( 10.079 0.000 0.000) 10.079 35.663 ( -24.250 0.000 0.000) 24.250 35.663 ( 24.250 0.000 0.000) 24.250 38.143 ( -1.623 0.000 0.000) 1.623 38.143 ( 1.623 0.000 0.000) 1.623 38.613 ( -10.296 0.000 0.000) 10.296 38.613 ( 10.296 0.000 0.000) 10.296 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 0.000 30.661 0.000) 30.661 0.611 ( 0.000 28.991 0.000) 28.991 1.280 ( 0.000 60.328 0.000) 60.328 1.594 ( 0.000 16.643 0.000) 16.643 1.809 ( 0.000 22.368 0.000) 22.368 2.133 ( 0.000 7.333 0.000) 7.333 2.287 ( 0.000 -3.812 0.000) 3.812 2.316 ( 0.000 -9.295 0.000) 9.295 2.481 ( 0.000 13.646 0.000) 13.646 2.608 ( 0.000 6.729 0.000) 6.729 2.702 ( 0.000 10.376 0.000) 10.376 2.944 ( 0.000 17.182 0.000) 17.182 3.148 ( 0.000 13.542 0.000) 13.542 3.270 ( 0.000 15.255 0.000) 15.255 3.458 ( 0.000 10.918 0.000) 10.918 3.623 ( 0.000 5.667 0.000) 5.667 3.960 ( 0.000 15.912 0.000) 15.912 4.062 ( 0.000 -4.508 0.000) 4.508 4.432 ( 0.000 -2.138 0.000) 2.138 4.438 ( 0.000 -1.031 0.000) 1.031 4.582 ( 0.000 11.421 0.000) 11.421 4.750 ( 0.000 -1.954 0.000) 1.954 5.024 ( 0.000 3.424 0.000) 3.424 5.183 ( 0.000 -2.058 0.000) 2.058 5.271 ( 0.000 -14.980 0.000) 14.980 5.333 ( 0.000 -6.444 0.000) 6.444 5.534 ( 0.000 -1.847 0.000) 1.847 5.661 ( 0.000 -14.797 0.000) 14.797 5.754 ( 0.000 4.552 0.000) 4.552 5.990 ( 0.000 3.625 0.000) 3.625 6.076 ( 0.000 -15.294 0.000) 15.294 6.102 ( 0.000 -7.436 0.000) 7.436 6.217 ( 0.000 17.562 0.000) 17.562 6.282 ( 0.000 6.416 0.000) 6.416 6.431 ( 0.000 0.901 0.000) 0.901 6.525 ( 0.000 1.947 0.000) 1.947 6.609 ( 0.000 0.361 0.000) 0.361 6.757 ( 0.000 -9.675 0.000) 9.675 6.964 ( 0.000 5.191 0.000) 5.191 7.052 ( 0.000 -0.135 0.000) 0.135 7.075 ( 0.000 13.581 0.000) 13.581 7.118 ( 0.000 -8.543 0.000) 8.543 7.164 ( 0.000 -9.788 0.000) 9.788 7.360 ( 0.000 -11.280 0.000) 11.280 7.571 ( 0.000 -0.154 0.000) 0.154 7.591 ( 0.000 12.623 0.000) 12.623 7.594 ( 0.000 6.991 0.000) 6.991 7.756 ( 0.000 -6.211 0.000) 6.211 7.819 ( 0.000 -2.461 0.000) 2.461 7.840 ( 0.000 5.058 0.000) 5.058 7.997 ( 0.000 12.676 0.000) 12.676 8.323 ( 0.000 -0.844 0.000) 0.844 8.409 ( 0.000 -3.282 0.000) 3.282 8.629 ( 0.000 2.233 0.000) 2.233 9.069 ( 0.000 -2.960 0.000) 2.960 9.142 ( 0.000 -8.833 0.000) 8.833 9.420 ( 0.000 -9.793 0.000) 9.793 9.497 ( 0.000 -10.191 0.000) 10.191 9.651 ( 0.000 -2.130 0.000) 2.130 10.436 ( 0.000 -6.434 0.000) 6.434 12.064 ( 0.000 0.302 0.000) 0.302 12.110 ( 0.000 -0.597 0.000) 0.597 12.114 ( 0.000 2.197 0.000) 2.197 12.207 ( 0.000 -4.753 0.000) 4.753 12.391 ( 0.000 2.344 0.000) 2.344 12.620 ( 0.000 1.687 0.000) 1.687 12.684 ( 0.000 -1.300 0.000) 1.300 12.813 ( 0.000 0.742 0.000) 0.742 12.840 ( 0.000 -9.199 0.000) 9.199 12.858 ( 0.000 -2.481 0.000) 2.481 12.967 ( 0.000 1.858 0.000) 1.858 13.108 ( 0.000 1.392 0.000) 1.392 13.218 ( 0.000 6.730 0.000) 6.730 13.293 ( 0.000 -1.589 0.000) 1.589 13.647 ( 0.000 -2.722 0.000) 2.722 13.748 ( 0.000 -2.977 0.000) 2.977 16.657 ( 0.000 1.006 0.000) 1.006 16.696 ( 0.000 1.147 0.000) 1.147 16.771 ( 0.000 -0.601 0.000) 0.601 16.862 ( 0.000 -0.895 0.000) 0.895 17.258 ( 0.000 -9.573 0.000) 9.573 17.365 ( 0.000 -0.861 0.000) 0.861 17.500 ( 0.000 -1.260 0.000) 1.260 17.515 ( 0.000 -3.820 0.000) 3.820 17.807 ( 0.000 -5.181 0.000) 5.181 17.890 ( 0.000 -1.502 0.000) 1.502 17.960 ( 0.000 8.841 0.000) 8.841 17.983 ( 0.000 1.821 0.000) 1.821 18.116 ( 0.000 5.361 0.000) 5.361 18.307 ( 0.000 0.991 0.000) 0.991 18.322 ( 0.000 -2.410 0.000) 2.410 18.361 ( 0.000 -6.757 0.000) 6.757 18.430 ( 0.000 -2.178 0.000) 2.178 18.536 ( 0.000 1.279 0.000) 1.279 18.599 ( 0.000 4.219 0.000) 4.219 18.601 ( 0.000 2.490 0.000) 2.490 18.677 ( 0.000 -0.792 0.000) 0.792 18.731 ( 0.000 0.890 0.000) 0.890 18.827 ( 0.000 2.953 0.000) 2.953 18.850 ( 0.000 0.179 0.000) 0.179 28.627 ( 0.000 5.724 0.000) 5.724 28.657 ( 0.000 4.308 0.000) 4.308 28.698 ( 0.000 8.402 0.000) 8.402 29.495 ( 0.000 -4.853 0.000) 4.853 29.720 ( 0.000 1.969 0.000) 1.969 29.938 ( 0.000 -0.702 0.000) 0.702 30.197 ( 0.000 3.365 0.000) 3.365 30.263 ( 0.000 1.965 0.000) 1.965 30.270 ( 0.000 -0.839 0.000) 0.839 30.391 ( 0.000 -3.656 0.000) 3.656 30.602 ( 0.000 2.471 0.000) 2.471 30.790 ( 0.000 -3.331 0.000) 3.331 30.854 ( 0.000 1.555 0.000) 1.555 30.931 ( 0.000 -0.750 0.000) 0.750 31.008 ( 0.000 1.813 0.000) 1.813 31.154 ( 0.000 -5.004 0.000) 5.004 31.273 ( 0.000 -1.396 0.000) 1.396 31.312 ( 0.000 -2.205 0.000) 2.205 31.680 ( 0.000 0.107 0.000) 0.107 31.701 ( 0.000 -8.259 0.000) 8.259 31.781 ( 0.000 13.436 0.000) 13.436 32.015 ( 0.000 -0.131 0.000) 0.131 32.039 ( 0.000 14.411 0.000) 14.411 32.369 ( 0.000 -2.804 0.000) 2.804 34.031 ( 0.000 13.814 0.000) 13.814 35.351 ( 0.000 12.463 0.000) 12.463 36.451 ( 0.000 -1.820 0.000) 1.820 36.519 ( 0.000 1.819 0.000) 1.819 37.600 ( 0.000 -1.293 0.000) 1.293 37.881 ( 0.000 -5.654 0.000) 5.654 38.072 ( 0.000 -8.270 0.000) 8.270 38.921 ( 0.000 -9.345 0.000) 9.345 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 17.428 13.237 0.000) 21.885 0.862 ( 23.969 20.313 0.000) 31.418 1.547 ( 20.903 46.714 0.000) 51.178 1.645 ( 5.274 16.205 0.000) 17.042 1.857 ( 4.281 20.149 0.000) 20.599 2.133 ( -2.046 -2.577 0.000) 3.291 2.160 ( -5.939 6.696 0.000) 8.950 2.251 ( -18.682 9.529 0.000) 20.972 2.399 ( 3.827 -4.108 0.000) 5.614 2.665 ( -3.042 10.098 0.000) 10.546 2.668 ( 4.431 6.705 0.000) 8.037 3.078 ( 10.356 13.607 0.000) 17.100 3.155 ( -0.383 17.519 0.000) 17.524 3.264 ( -1.344 16.585 0.000) 16.639 3.422 ( -1.579 11.329 0.000) 11.438 3.494 ( -8.458 4.702 0.000) 9.677 3.856 ( -9.175 10.311 0.000) 13.802 4.107 ( 0.292 0.971 0.000) 1.014 4.230 ( -17.964 -2.842 0.000) 18.188 4.495 ( 2.300 1.820 0.000) 2.933 4.577 ( 0.347 4.943 0.000) 4.956 4.687 ( -7.292 0.863 0.000) 7.343 4.918 ( -11.885 -4.245 0.000) 12.621 5.142 ( -7.383 -9.458 0.000) 11.998 5.154 ( -8.033 -6.189 0.000) 10.141 5.306 ( -4.011 -6.284 0.000) 7.455 5.385 ( -8.341 2.965 0.000) 8.852 5.645 ( 2.251 5.355 0.000) 5.809 5.705 ( -3.688 -0.517 0.000) 3.724 5.914 ( -5.067 -1.602 0.000) 5.314 6.037 ( -4.516 1.774 0.000) 4.852 6.054 ( -0.224 -5.890 0.000) 5.894 6.173 ( -3.046 5.865 0.000) 6.609 6.431 ( 9.223 0.110 0.000) 9.224 6.490 ( -3.293 3.487 0.000) 4.796 6.532 ( -13.186 -1.398 0.000) 13.260 6.549 ( 8.218 5.052 0.000) 9.647 6.749 ( 9.569 -5.263 0.000) 10.921 6.879 ( 1.414 5.756 0.000) 5.927 6.985 ( -1.459 -3.555 0.000) 3.843 7.032 ( -0.444 -9.049 0.000) 9.060 7.187 ( -3.166 -6.382 0.000) 7.124 7.429 ( 6.637 -6.948 0.000) 9.609 7.470 ( 0.252 12.257 0.000) 12.259 7.515 ( -1.765 4.350 0.000) 4.694 7.576 ( 10.375 2.746 0.000) 10.732 7.692 ( -3.957 -1.143 0.000) 4.119 7.723 ( -2.293 -5.439 0.000) 5.903 7.817 ( -2.191 4.461 0.000) 4.970 7.828 ( 15.497 7.686 0.000) 17.299 7.982 ( 0.520 10.745 0.000) 10.758 8.289 ( -3.882 -0.089 0.000) 3.883 8.409 ( -4.378 -4.023 0.000) 5.946 8.578 ( -1.593 3.265 0.000) 3.633 9.003 ( -10.920 7.268 0.000) 13.118 9.120 ( -21.663 -13.140 0.000) 25.337 9.219 ( 14.918 -1.867 0.000) 15.034 9.636 ( 19.724 -11.693 0.000) 22.930 9.889 ( 11.251 -6.944 0.000) 13.222 10.575 ( 7.402 -19.716 0.000) 21.060 12.052 ( -1.174 -1.778 0.000) 2.131 12.071 ( -1.882 -1.410 0.000) 2.351 12.157 ( 2.325 2.151 0.000) 3.167 12.181 ( -0.673 0.073 0.000) 0.677 12.392 ( 0.182 3.452 0.000) 3.456 12.511 ( -5.459 3.344 0.000) 6.402 12.663 ( -1.672 -0.948 0.000) 1.922 12.783 ( -1.517 -1.715 0.000) 2.289 12.900 ( 3.035 -2.181 0.000) 3.738 12.960 ( 4.781 -4.440 0.000) 6.525 12.962 ( 0.521 0.577 0.000) 0.778 13.085 ( -1.160 1.617 0.000) 1.990 13.240 ( 1.423 3.133 0.000) 3.441 13.304 ( 0.858 -1.586 0.000) 1.803 13.632 ( -1.477 -2.613 0.000) 3.001 13.725 ( -2.286 -2.943 0.000) 3.727 16.684 ( 2.489 0.481 0.000) 2.536 16.726 ( 1.224 -3.295 0.000) 3.515 16.852 ( 5.456 -3.324 0.000) 6.389 16.859 ( -0.188 -0.747 0.000) 0.770 17.283 ( 1.122 -7.554 0.000) 7.637 17.374 ( 0.805 -1.475 0.000) 1.681 17.485 ( -1.380 -1.092 0.000) 1.760 17.506 ( -0.435 -4.193 0.000) 4.216 17.796 ( -1.239 -4.606 0.000) 4.769 17.811 ( 0.522 -4.158 0.000) 4.191 17.999 ( 1.345 1.845 0.000) 2.284 18.004 ( -1.183 8.631 0.000) 8.712 18.137 ( 1.263 6.703 0.000) 6.821 18.251 ( -3.514 -2.749 0.000) 4.461 18.260 ( -3.099 -0.045 0.000) 3.099 18.426 ( 0.645 -7.172 0.000) 7.201 18.444 ( 1.111 -1.807 0.000) 2.121 18.480 ( -2.083 0.416 0.000) 2.124 18.593 ( 0.117 2.883 0.000) 2.885 18.638 ( 1.820 3.145 0.000) 3.634 18.699 ( 0.998 2.003 0.000) 2.238 18.767 ( 2.939 0.531 0.000) 2.986 18.784 ( -3.744 4.155 0.000) 5.593 18.837 ( -0.863 0.299 0.000) 0.914 28.624 ( -0.166 5.350 0.000) 5.353 28.653 ( -0.401 4.243 0.000) 4.262 28.716 ( 1.732 9.326 0.000) 9.486 29.208 ( -21.432 17.991 0.000) 27.982 29.677 ( -3.351 14.728 0.000) 15.105 29.727 ( 0.753 1.756 0.000) 1.911 30.012 ( -6.244 -4.158 0.000) 7.502 30.152 ( -9.621 2.173 0.000) 9.863 30.391 ( 1.756 -0.661 0.000) 1.876 30.550 ( 7.349 -0.569 0.000) 7.371 30.672 ( 3.914 -1.237 0.000) 4.105 30.753 ( -1.303 -5.129 0.000) 5.292 30.899 ( 3.400 -5.077 0.000) 6.111 31.013 ( 0.866 0.549 0.000) 1.026 31.150 ( -0.350 -4.593 0.000) 4.607 31.192 ( -2.697 -0.801 0.000) 2.814 31.297 ( 18.249 -10.941 0.000) 21.277 31.486 ( 10.245 -2.420 0.000) 10.527 31.683 ( -0.857 -4.882 0.000) 4.956 31.694 ( 1.218 -0.249 0.000) 1.243 31.816 ( 2.971 11.254 0.000) 11.639 32.021 ( -1.615 14.009 0.000) 14.102 32.035 ( 2.008 -0.128 0.000) 2.012 32.343 ( -2.815 -2.086 0.000) 3.503 34.127 ( 9.944 12.601 0.000) 16.052 35.371 ( 2.363 12.424 0.000) 12.647 35.399 ( -37.836 36.904 0.000) 52.853 36.760 ( -19.272 -4.081 0.000) 19.700 37.681 ( 14.130 -11.450 0.000) 18.187 38.068 ( -0.384 -8.542 0.000) 8.551 38.153 ( 12.353 -12.683 0.000) 17.705 38.865 ( -5.601 -9.164 0.000) 10.741 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 20.852 -7.452 0.000) 22.143 1.292 ( 16.581 12.729 0.000) 20.903 1.755 ( -3.960 13.235 0.000) 13.814 1.786 ( 3.104 22.642 0.000) 22.854 1.838 ( -6.133 -5.121 0.000) 7.990 2.004 ( 2.518 15.568 0.000) 15.770 2.104 ( 1.529 7.514 0.000) 7.668 2.145 ( 1.968 18.569 0.000) 18.673 2.525 ( 14.055 3.454 0.000) 14.473 2.609 ( -1.549 11.284 0.000) 11.390 2.756 ( 2.761 5.223 0.000) 5.908 3.039 ( -7.728 19.644 0.000) 21.109 3.187 ( -5.946 15.571 0.000) 16.667 3.286 ( 7.231 3.094 0.000) 7.865 3.433 ( 2.523 2.536 0.000) 3.577 3.498 ( 7.606 13.994 0.000) 15.927 3.641 ( -11.500 10.407 0.000) 15.510 3.871 ( -16.913 -3.361 0.000) 17.244 4.007 ( -9.624 8.773 0.000) 13.023 4.118 ( -32.189 -5.674 0.000) 32.686 4.593 ( 0.307 0.111 0.000) 0.327 4.662 ( -2.745 1.041 0.000) 2.936 4.754 ( 3.207 4.053 0.000) 5.168 5.029 ( -4.332 -1.761 0.000) 4.676 5.033 ( -2.655 4.782 0.000) 5.469 5.163 ( -10.484 2.455 0.000) 10.768 5.424 ( 5.663 0.483 0.000) 5.684 5.600 ( -0.209 -2.186 0.000) 2.196 5.689 ( -0.963 -2.232 0.000) 2.431 5.863 ( -0.197 -6.173 0.000) 6.176 5.946 ( -4.653 4.155 0.000) 6.238 6.054 ( -0.461 1.950 0.000) 2.004 6.093 ( -5.725 -3.363 0.000) 6.640 6.226 ( -13.132 -0.574 0.000) 13.144 6.509 ( 5.782 8.880 0.000) 10.596 6.635 ( 8.743 -3.209 0.000) 9.313 6.750 ( 8.480 0.792 0.000) 8.517 6.835 ( -2.130 -0.135 0.000) 2.134 6.941 ( 1.381 5.399 0.000) 5.572 6.957 ( 1.634 -5.752 0.000) 5.979 6.985 ( -2.578 -8.312 0.000) 8.702 7.133 ( -3.647 -0.468 0.000) 3.676 7.404 ( -0.921 -4.489 0.000) 4.582 7.457 ( 2.274 11.313 0.000) 11.540 7.614 ( 2.848 1.189 0.000) 3.086 7.662 ( 1.705 -0.659 0.000) 1.828 7.695 ( 4.615 1.714 0.000) 4.923 7.757 ( -3.195 0.939 0.000) 3.330 7.774 ( 0.579 -0.433 0.000) 0.723 8.002 ( 8.033 6.677 0.000) 10.446 8.108 ( 1.299 -2.021 0.000) 2.403 8.234 ( -5.250 -1.656 0.000) 5.505 8.247 ( 0.989 -0.866 0.000) 1.315 8.609 ( 3.060 5.035 0.000) 5.891 8.692 ( -20.140 -10.196 0.000) 22.574 8.826 ( -9.471 7.250 0.000) 11.927 9.588 ( 20.839 -2.752 0.000) 21.020 10.020 ( 1.497 -8.291 0.000) 8.425 10.064 ( 22.301 -14.455 0.000) 26.576 10.619 ( -3.463 -19.316 0.000) 19.624 12.030 ( -0.765 -4.041 0.000) 4.113 12.041 ( -1.208 -3.095 0.000) 3.322 12.195 ( 1.411 2.733 0.000) 3.075 12.197 ( 1.597 2.119 0.000) 2.653 12.399 ( 0.504 5.286 0.000) 5.310 12.436 ( -2.552 3.361 0.000) 4.220 12.643 ( 0.089 -0.655 0.000) 0.661 12.742 ( -2.922 -1.976 0.000) 3.527 12.905 ( -1.109 -0.746 0.000) 1.337 12.949 ( -3.585 1.168 0.000) 3.771 13.043 ( 6.113 -1.389 0.000) 6.269 13.132 ( 4.033 -0.023 0.000) 4.033 13.260 ( 0.629 -1.359 0.000) 1.498 13.313 ( -0.273 -2.171 0.000) 2.188 13.603 ( -0.939 -2.257 0.000) 2.444 13.667 ( -3.388 -2.704 0.000) 4.335 16.737 ( 2.470 -1.496 0.000) 2.888 16.748 ( 1.070 -3.622 0.000) 3.777 16.859 ( 0.401 -0.308 0.000) 0.505 16.907 ( 0.221 -3.360 0.000) 3.367 17.301 ( 1.554 -2.924 0.000) 3.311 17.382 ( -0.598 -2.701 0.000) 2.766 17.463 ( -0.265 -0.688 0.000) 0.737 17.497 ( -0.729 -3.648 0.000) 3.720 17.831 ( 1.599 -1.653 0.000) 2.300 17.858 ( 5.770 -9.331 0.000) 10.971 17.953 ( -2.967 6.362 0.000) 7.020 18.016 ( -0.048 0.445 0.000) 0.448 18.130 ( -0.923 2.691 0.000) 2.845 18.213 ( -0.437 -0.027 0.000) 0.438 18.232 ( -0.314 2.451 0.000) 2.471 18.313 ( -8.411 -6.233 0.000) 10.469 18.470 ( 1.676 -1.706 0.000) 2.392 18.515 ( 1.721 -3.150 0.000) 3.590 18.608 ( 1.422 2.538 0.000) 2.909 18.638 ( -1.191 4.319 0.000) 4.480 18.687 ( -1.821 4.436 0.000) 4.795 18.713 ( -3.398 4.359 0.000) 5.527 18.832 ( 2.989 0.897 0.000) 3.121 18.841 ( 1.351 1.169 0.000) 1.787 28.623 ( 0.159 4.737 0.000) 4.740 28.642 ( -0.636 4.174 0.000) 4.223 28.761 ( 2.850 11.534 0.000) 11.881 28.938 ( -8.233 18.711 0.000) 20.442 29.684 ( 2.470 9.446 0.000) 9.763 29.746 ( 1.001 1.819 0.000) 2.077 29.909 ( -4.174 -3.770 0.000) 5.625 29.969 ( -8.319 2.643 0.000) 8.729 30.452 ( 4.184 -0.340 0.000) 4.198 30.600 ( -1.318 0.490 0.000) 1.406 30.712 ( 0.628 -1.903 0.000) 2.004 30.732 ( -0.946 -3.816 0.000) 3.931 30.998 ( 5.801 -6.858 0.000) 8.982 31.046 ( 2.172 -3.339 0.000) 3.983 31.139 ( -0.670 -2.946 0.000) 3.021 31.159 ( -1.214 0.027 0.000) 1.214 31.517 ( 6.438 -4.831 0.000) 8.049 31.598 ( 0.741 -4.330 0.000) 4.393 31.717 ( 3.973 -1.568 0.000) 4.272 31.721 ( 1.698 -1.398 0.000) 2.200 31.879 ( 3.350 11.725 0.000) 12.194 31.984 ( -2.162 13.235 0.000) 13.410 32.089 ( 3.532 -0.008 0.000) 3.532 32.265 ( -4.876 -0.652 0.000) 4.919 34.396 ( 16.759 10.221 0.000) 19.630 34.954 ( -14.139 21.647 0.000) 25.856 35.468 ( 8.776 11.927 0.000) 14.808 36.257 ( -28.553 3.578 0.000) 28.776 37.915 ( 8.664 -12.871 0.000) 15.515 38.056 ( -1.031 -9.423 0.000) 9.479 38.337 ( 8.844 -9.180 0.000) 12.747 38.717 ( -9.288 -8.745 0.000) 12.757 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -3.110 -6.688 0.000) 7.376 1.391 ( 3.110 -6.688 0.000) 7.376 1.695 ( -0.018 12.912 0.000) 12.912 1.695 ( 0.018 12.912 0.000) 12.912 2.028 ( -8.975 8.193 0.000) 12.152 2.028 ( 8.975 8.193 0.000) 12.152 2.101 ( -6.214 13.967 0.000) 15.287 2.101 ( 6.214 13.967 0.000) 15.287 2.666 ( -8.523 10.624 0.000) 13.620 2.666 ( 8.523 10.624 0.000) 13.620 2.959 ( -14.839 10.491 0.000) 18.173 2.959 ( 14.839 10.491 0.000) 18.173 3.117 ( -9.144 5.132 0.000) 10.485 3.117 ( 9.144 5.132 0.000) 10.485 3.518 ( -0.664 6.239 0.000) 6.274 3.518 ( 0.664 6.239 0.000) 6.274 3.669 ( -1.844 2.145 0.000) 2.829 3.669 ( 1.844 2.145 0.000) 2.829 3.793 ( -9.636 9.870 0.000) 13.794 3.793 ( 9.636 9.870 0.000) 13.794 4.597 ( -1.285 -0.632 0.000) 1.432 4.597 ( 1.285 -0.632 0.000) 1.432 4.912 ( -9.528 11.970 0.000) 15.299 4.912 ( 9.528 11.970 0.000) 15.299 5.021 ( -1.668 0.693 0.000) 1.806 5.021 ( 1.668 0.693 0.000) 1.806 5.536 ( -5.577 -2.824 0.000) 6.251 5.536 ( 5.577 -2.824 0.000) 6.251 5.781 ( -8.203 -7.976 0.000) 11.441 5.781 ( 8.203 -7.976 0.000) 11.441 5.959 ( -5.937 1.479 0.000) 6.118 5.959 ( 5.937 1.479 0.000) 6.118 6.074 ( -2.919 1.653 0.000) 3.355 6.074 ( 2.919 1.653 0.000) 3.355 6.663 ( -8.092 3.546 0.000) 8.835 6.663 ( 8.092 3.546 0.000) 8.835 6.802 ( -2.319 -3.532 0.000) 4.225 6.802 ( 2.319 -3.532 0.000) 4.225 6.950 ( -1.835 -1.583 0.000) 2.424 6.950 ( 1.835 -1.583 0.000) 2.424 7.039 ( -4.655 1.058 0.000) 4.774 7.039 ( 4.655 1.058 0.000) 4.774 7.457 ( -3.593 0.877 0.000) 3.698 7.457 ( 3.593 0.877 0.000) 3.698 7.659 ( -3.455 9.958 0.000) 10.540 7.659 ( 3.455 9.958 0.000) 10.540 7.737 ( -0.779 -1.370 0.000) 1.576 7.737 ( 0.779 -1.370 0.000) 1.576 7.863 ( -12.443 -6.520 0.000) 14.048 7.863 ( 12.443 -6.520 0.000) 14.048 8.257 ( -4.637 -1.657 0.000) 4.925 8.257 ( 4.637 -1.657 0.000) 4.925 8.322 ( -14.956 -4.345 0.000) 15.574 8.322 ( 14.956 -4.345 0.000) 15.574 8.685 ( -5.306 7.343 0.000) 9.060 8.685 ( 5.306 7.343 0.000) 9.060 9.922 ( -11.877 -5.856 0.000) 13.243 9.922 ( 11.877 -5.856 0.000) 13.243 10.436 ( -15.176 -16.720 0.000) 22.580 10.436 ( 15.176 -16.720 0.000) 22.580 12.026 ( -0.310 -4.104 0.000) 4.116 12.026 ( 0.310 -4.104 0.000) 4.116 12.213 ( -0.099 2.462 0.000) 2.464 12.213 ( 0.099 2.462 0.000) 2.464 12.408 ( -0.591 5.018 0.000) 5.053 12.408 ( 0.591 5.018 0.000) 5.053 12.677 ( -3.209 -1.263 0.000) 3.449 12.677 ( 3.209 -1.263 0.000) 3.449 12.899 ( -1.003 0.377 0.000) 1.071 12.899 ( 1.003 0.377 0.000) 1.071 13.144 ( -3.341 0.240 0.000) 3.350 13.144 ( 3.341 0.240 0.000) 3.350 13.287 ( -2.162 -3.710 0.000) 4.294 13.287 ( 2.162 -3.710 0.000) 4.294 13.612 ( -1.911 -2.190 0.000) 2.907 13.612 ( 1.911 -2.190 0.000) 2.907 16.761 ( -0.004 -3.456 0.000) 3.456 16.761 ( 0.004 -3.456 0.000) 3.456 16.883 ( -1.875 -1.045 0.000) 2.146 16.883 ( 1.875 -1.045 0.000) 2.146 17.346 ( -2.632 -2.408 0.000) 3.567 17.346 ( 2.632 -2.408 0.000) 3.567 17.478 ( -1.218 -1.916 0.000) 2.270 17.478 ( 1.218 -1.916 0.000) 2.270 17.874 ( -2.763 1.673 0.000) 3.230 17.874 ( 2.763 1.673 0.000) 3.230 17.985 ( -3.642 -5.150 0.000) 6.308 17.985 ( 3.642 -5.150 0.000) 6.308 18.161 ( -5.276 -0.750 0.000) 5.329 18.161 ( 5.276 -0.750 0.000) 5.329 18.223 ( -0.642 0.563 0.000) 0.854 18.223 ( 0.642 0.563 0.000) 0.854 18.508 ( -1.949 -2.427 0.000) 3.113 18.508 ( 1.949 -2.427 0.000) 3.113 18.637 ( -0.156 4.831 0.000) 4.833 18.637 ( 0.156 4.831 0.000) 4.833 18.658 ( -1.091 3.483 0.000) 3.650 18.658 ( 1.091 3.483 0.000) 3.650 18.862 ( -0.052 1.295 0.000) 1.296 18.862 ( 0.052 1.295 0.000) 1.296 28.630 ( -0.529 4.308 0.000) 4.340 28.630 ( 0.529 4.308 0.000) 4.340 28.827 ( -4.172 14.592 0.000) 15.177 28.827 ( 4.172 14.592 0.000) 15.177 29.742 ( -2.316 6.078 0.000) 6.504 29.742 ( 2.316 6.078 0.000) 6.504 29.868 ( -1.035 -1.360 0.000) 1.709 29.868 ( 1.035 -1.360 0.000) 1.709 30.538 ( -4.356 -0.257 0.000) 4.364 30.538 ( 4.356 -0.257 0.000) 4.364 30.718 ( -0.402 -2.102 0.000) 2.140 30.718 ( 0.402 -2.102 0.000) 2.140 31.070 ( -0.706 -7.537 0.000) 7.570 31.070 ( 0.706 -7.537 0.000) 7.570 31.135 ( -0.864 0.425 0.000) 0.963 31.135 ( 0.864 0.425 0.000) 0.963 31.586 ( -1.539 -2.971 0.000) 3.346 31.586 ( 1.539 -2.971 0.000) 3.346 31.753 ( -0.644 -2.023 0.000) 2.123 31.753 ( 0.644 -2.023 0.000) 2.123 31.938 ( -2.647 12.626 0.000) 12.901 31.938 ( 2.647 12.626 0.000) 12.901 32.169 ( -4.731 0.069 0.000) 4.731 32.169 ( 4.731 0.069 0.000) 4.731 34.705 ( -13.948 11.854 0.000) 18.305 34.705 ( 13.948 11.854 0.000) 18.305 35.755 ( -21.485 8.926 0.000) 23.265 35.755 ( 21.485 8.926 0.000) 23.265 38.021 ( -3.004 -11.049 0.000) 11.450 38.021 ( 3.004 -11.049 0.000) 11.450 38.524 ( -10.305 -8.372 0.000) 13.277 38.524 ( 10.305 -8.372 0.000) 13.277 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 18.328 0.000) 18.328 1.201 ( 0.000 30.526 0.000) 30.526 1.758 ( 0.000 2.058 0.000) 2.058 2.016 ( 0.000 -0.029 0.000) 0.029 2.095 ( 0.000 -11.684 0.000) 11.684 2.130 ( 0.000 7.837 0.000) 7.837 2.389 ( 0.000 45.589 0.000) 45.589 2.641 ( 0.000 22.083 0.000) 22.083 2.913 ( 0.000 9.804 0.000) 9.804 2.970 ( 0.000 26.299 0.000) 26.299 2.981 ( 0.000 28.018 0.000) 28.018 3.340 ( 0.000 20.989 0.000) 20.989 3.377 ( 0.000 -4.794 0.000) 4.794 3.437 ( 0.000 14.682 0.000) 14.682 3.679 ( 0.000 12.508 0.000) 12.508 3.829 ( 0.000 15.173 0.000) 15.173 4.199 ( 0.000 17.459 0.000) 17.459 4.332 ( 0.000 -5.672 0.000) 5.672 4.408 ( 0.000 -1.788 0.000) 1.788 4.468 ( 0.000 29.883 0.000) 29.883 4.626 ( 0.000 -8.541 0.000) 8.541 4.775 ( 0.000 4.666 0.000) 4.666 5.114 ( 0.000 -4.388 0.000) 4.388 5.122 ( 0.000 3.800 0.000) 3.800 5.142 ( 0.000 -15.497 0.000) 15.497 5.181 ( 0.000 6.740 0.000) 6.740 5.345 ( 0.000 -13.420 0.000) 13.420 5.425 ( 0.000 -4.524 0.000) 4.524 5.751 ( 0.000 -16.354 0.000) 16.354 5.896 ( 0.000 8.567 0.000) 8.567 5.975 ( 0.000 -4.206 0.000) 4.206 6.069 ( 0.000 3.644 0.000) 3.644 6.401 ( 0.000 2.333 0.000) 2.333 6.430 ( 0.000 5.711 0.000) 5.711 6.437 ( 0.000 -12.716 0.000) 12.716 6.474 ( 0.000 2.685 0.000) 2.685 6.647 ( 0.000 -0.195 0.000) 0.195 6.800 ( 0.000 15.007 0.000) 15.007 6.861 ( 0.000 -8.925 0.000) 8.925 6.982 ( 0.000 -5.811 0.000) 5.811 6.998 ( 0.000 -12.378 0.000) 12.378 7.101 ( 0.000 -6.462 0.000) 6.462 7.131 ( 0.000 4.430 0.000) 4.430 7.287 ( 0.000 4.786 0.000) 4.786 7.562 ( 0.000 -9.041 0.000) 9.041 7.595 ( 0.000 -6.309 0.000) 6.309 7.619 ( 0.000 -2.108 0.000) 2.108 7.753 ( 0.000 4.107 0.000) 4.107 7.822 ( 0.000 6.405 0.000) 6.405 7.842 ( 0.000 -5.097 0.000) 5.097 8.309 ( 0.000 16.319 0.000) 16.319 8.368 ( 0.000 -2.329 0.000) 2.329 8.378 ( 0.000 6.359 0.000) 6.359 8.655 ( 0.000 0.619 0.000) 0.619 8.849 ( 0.000 -15.340 0.000) 15.340 8.991 ( 0.000 -4.274 0.000) 4.274 9.210 ( 0.000 -9.086 0.000) 9.086 9.357 ( 0.000 -3.947 0.000) 3.947 9.587 ( 0.000 -4.243 0.000) 4.243 10.230 ( 0.000 -13.961 0.000) 13.961 12.070 ( 0.000 0.168 0.000) 0.168 12.093 ( 0.000 -0.996 0.000) 0.996 12.100 ( 0.000 -5.116 0.000) 5.116 12.162 ( 0.000 1.654 0.000) 1.654 12.433 ( 0.000 1.458 0.000) 1.458 12.660 ( 0.000 -7.979 0.000) 7.979 12.676 ( 0.000 3.896 0.000) 3.896 12.695 ( 0.000 3.516 0.000) 3.516 12.790 ( 0.000 -3.101 0.000) 3.101 12.801 ( 0.000 -3.125 0.000) 3.125 13.000 ( 0.000 1.369 0.000) 1.369 13.169 ( 0.000 4.546 0.000) 4.546 13.258 ( 0.000 -1.585 0.000) 1.585 13.329 ( 0.000 3.853 0.000) 3.853 13.558 ( 0.000 -5.920 0.000) 5.920 13.662 ( 0.000 -5.286 0.000) 5.286 16.694 ( 0.000 2.740 0.000) 2.740 16.729 ( 0.000 1.996 0.000) 1.996 16.761 ( 0.000 -0.214 0.000) 0.214 16.848 ( 0.000 -0.064 0.000) 0.064 17.095 ( 0.000 -5.764 0.000) 5.764 17.343 ( 0.000 -1.152 0.000) 1.152 17.417 ( 0.000 -5.462 0.000) 5.462 17.466 ( 0.000 -2.119 0.000) 2.119 17.707 ( 0.000 -3.786 0.000) 3.786 17.906 ( 0.000 3.225 0.000) 3.225 18.017 ( 0.000 0.880 0.000) 0.880 18.086 ( 0.000 3.300 0.000) 3.300 18.214 ( 0.000 3.887 0.000) 3.887 18.216 ( 0.000 -6.329 0.000) 6.329 18.232 ( 0.000 -5.592 0.000) 5.592 18.339 ( 0.000 1.578 0.000) 1.578 18.386 ( 0.000 -2.030 0.000) 2.030 18.605 ( 0.000 3.870 0.000) 3.870 18.609 ( 0.000 -1.198 0.000) 1.198 18.669 ( 0.000 0.378 0.000) 0.378 18.686 ( 0.000 3.922 0.000) 3.922 18.741 ( 0.000 -0.296 0.000) 0.296 18.869 ( 0.000 1.591 0.000) 1.591 18.890 ( 0.000 2.806 0.000) 2.806 28.776 ( 0.000 7.052 0.000) 7.052 28.777 ( 0.000 8.492 0.000) 8.492 28.890 ( 0.000 9.087 0.000) 9.087 29.376 ( 0.000 -6.275 0.000) 6.275 29.812 ( 0.000 7.587 0.000) 7.587 29.941 ( 0.000 1.123 0.000) 1.123 30.246 ( 0.000 -1.482 0.000) 1.482 30.259 ( 0.000 2.333 0.000) 2.333 30.304 ( 0.000 1.574 0.000) 1.574 30.313 ( 0.000 -3.573 0.000) 3.573 30.667 ( 0.000 3.578 0.000) 3.578 30.670 ( 0.000 -7.925 0.000) 7.925 30.895 ( 0.000 2.167 0.000) 2.167 30.912 ( 0.000 -0.636 0.000) 0.636 31.054 ( 0.000 2.449 0.000) 2.449 31.133 ( 0.000 2.376 0.000) 2.376 31.255 ( 0.000 -3.193 0.000) 3.193 31.258 ( 0.000 -0.578 0.000) 0.578 31.484 ( 0.000 -12.472 0.000) 12.472 31.678 ( 0.000 -0.626 0.000) 0.626 32.002 ( 0.000 -0.933 0.000) 0.933 32.013 ( 0.000 7.760 0.000) 7.760 32.298 ( 0.000 -3.661 0.000) 3.661 32.311 ( 0.000 10.650 0.000) 10.650 34.464 ( 0.000 28.101 0.000) 28.101 35.686 ( 0.000 19.055 0.000) 19.055 36.416 ( 0.000 -1.124 0.000) 1.124 36.561 ( 0.000 1.961 0.000) 1.961 37.566 ( 0.000 -1.888 0.000) 1.888 37.742 ( 0.000 -7.269 0.000) 7.269 37.853 ( 0.000 -12.266 0.000) 12.266 38.659 ( 0.000 -15.736 0.000) 15.736 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.574 13.835 0.000) 14.571 1.369 ( 15.379 26.407 0.000) 30.558 1.769 ( 0.736 0.303 0.000) 0.795 1.948 ( -5.041 -0.776 0.000) 5.100 2.127 ( -0.756 6.328 0.000) 6.373 2.144 ( 4.310 -9.087 0.000) 10.057 2.514 ( 8.569 37.376 0.000) 38.346 2.626 ( -1.687 19.874 0.000) 19.946 2.667 ( -22.661 24.287 0.000) 33.217 2.895 ( -0.188 12.132 0.000) 12.133 3.059 ( 2.642 28.284 0.000) 28.407 3.321 ( 0.554 9.496 0.000) 9.512 3.404 ( 2.458 -2.408 0.000) 3.441 3.556 ( 4.578 19.894 0.000) 20.414 3.673 ( 2.146 13.978 0.000) 14.142 3.754 ( -6.110 17.366 0.000) 18.409 4.071 ( -15.383 5.898 0.000) 16.475 4.109 ( -18.687 -0.746 0.000) 18.702 4.273 ( 0.930 10.090 0.000) 10.133 4.623 ( -15.060 7.188 0.000) 16.688 4.655 ( -1.698 0.382 0.000) 1.740 4.741 ( 3.678 6.617 0.000) 7.570 4.791 ( -10.782 -1.520 0.000) 10.889 4.955 ( -5.102 -10.327 0.000) 11.518 5.155 ( 0.216 4.992 0.000) 4.997 5.213 ( -2.198 -0.340 0.000) 2.224 5.414 ( 5.557 -0.756 0.000) 5.608 5.626 ( -8.162 -10.917 0.000) 13.631 5.656 ( 13.609 -0.568 0.000) 13.621 5.828 ( -10.121 -4.471 0.000) 11.065 5.955 ( 3.249 2.085 0.000) 3.861 6.096 ( 0.149 2.576 0.000) 2.581 6.327 ( -4.494 7.389 0.000) 8.648 6.427 ( -7.291 -3.066 0.000) 7.909 6.499 ( -2.466 -4.640 0.000) 5.255 6.554 ( 3.862 -0.033 0.000) 3.862 6.617 ( 9.590 -4.371 0.000) 10.540 6.719 ( -4.550 4.278 0.000) 6.245 6.882 ( 2.009 3.392 0.000) 3.942 6.891 ( -1.688 -3.039 0.000) 3.476 7.026 ( 3.610 -12.231 0.000) 12.753 7.028 ( -1.679 4.334 0.000) 4.648 7.288 ( 8.478 -3.441 0.000) 9.150 7.458 ( -6.819 -7.814 0.000) 10.371 7.516 ( 9.305 -4.105 0.000) 10.170 7.614 ( 2.224 -3.949 0.000) 4.532 7.675 ( 0.113 -2.944 0.000) 2.946 7.714 ( 2.070 9.448 0.000) 9.672 7.823 ( -1.396 -2.042 0.000) 2.474 7.936 ( 9.354 -0.867 0.000) 9.394 8.280 ( -1.791 16.233 0.000) 16.331 8.323 ( -5.109 2.007 0.000) 5.489 8.345 ( -7.318 -2.419 0.000) 7.707 8.634 ( 2.432 1.626 0.000) 2.926 8.729 ( -13.301 -16.172 0.000) 20.939 9.096 ( -13.141 0.571 0.000) 13.154 9.169 ( 15.194 -2.773 0.000) 15.445 9.376 ( 16.413 -11.638 0.000) 20.121 9.755 ( 6.869 -5.982 0.000) 9.108 10.270 ( 3.668 -13.520 0.000) 14.009 12.006 ( -3.484 -2.525 0.000) 4.303 12.043 ( -3.371 -1.201 0.000) 3.578 12.159 ( 3.264 -1.782 0.000) 3.719 12.194 ( 1.651 0.472 0.000) 1.717 12.464 ( 3.027 3.403 0.000) 4.554 12.556 ( -4.263 0.490 0.000) 4.291 12.675 ( -1.424 2.787 0.000) 3.130 12.727 ( 0.148 -1.765 0.000) 1.771 12.856 ( 4.605 -2.079 0.000) 5.053 12.879 ( 7.226 -4.032 0.000) 8.275 12.971 ( -2.330 0.427 0.000) 2.369 13.139 ( -2.878 4.078 0.000) 4.991 13.267 ( 0.572 -1.749 0.000) 1.840 13.312 ( -1.880 2.645 0.000) 3.245 13.550 ( -0.771 -5.274 0.000) 5.330 13.640 ( -2.187 -5.260 0.000) 5.697 16.706 ( 0.924 1.829 0.000) 2.050 16.706 ( -0.796 0.787 0.000) 1.119 16.813 ( 3.173 -1.030 0.000) 3.336 16.850 ( 0.177 0.083 0.000) 0.196 17.129 ( 3.285 -5.992 0.000) 6.833 17.336 ( -0.698 -1.955 0.000) 2.076 17.418 ( -0.026 -4.571 0.000) 4.571 17.457 ( -0.746 -1.625 0.000) 1.788 17.730 ( 2.294 -3.203 0.000) 3.940 17.781 ( -6.364 2.410 0.000) 6.805 18.034 ( 0.346 0.613 0.000) 0.704 18.108 ( -1.475 2.717 0.000) 3.091 18.136 ( -2.729 -6.049 0.000) 6.636 18.264 ( 0.700 1.151 0.000) 1.347 18.272 ( -2.285 4.335 0.000) 4.900 18.295 ( 1.736 -5.405 0.000) 5.677 18.402 ( 0.804 -1.953 0.000) 2.112 18.534 ( -3.251 2.881 0.000) 4.344 18.631 ( -0.919 1.278 0.000) 1.575 18.665 ( 1.929 -0.185 0.000) 1.938 18.756 ( 2.505 2.177 0.000) 3.319 18.777 ( 4.334 0.690 0.000) 4.389 18.844 ( -2.702 2.251 0.000) 3.517 18.879 ( -0.327 2.886 0.000) 2.905 28.767 ( -0.838 8.179 0.000) 8.222 28.770 ( -0.584 6.920 0.000) 6.944 28.920 ( 2.884 9.187 0.000) 9.629 29.302 ( -6.403 -1.636 0.000) 6.609 29.810 ( -0.225 6.771 0.000) 6.775 29.918 ( -3.098 -0.492 0.000) 3.137 30.009 ( -7.054 9.552 0.000) 11.874 30.204 ( -6.627 2.566 0.000) 7.106 30.368 ( 2.955 -1.380 0.000) 3.261 30.517 ( 8.746 -3.050 0.000) 9.263 30.661 ( 1.209 -4.108 0.000) 4.282 30.667 ( -0.032 0.626 0.000) 0.627 30.777 ( -3.194 -3.992 0.000) 5.113 31.029 ( -2.142 0.562 0.000) 2.214 31.135 ( 0.654 2.218 0.000) 2.312 31.175 ( 15.025 -3.122 0.000) 15.346 31.179 ( -1.462 -0.615 0.000) 1.586 31.418 ( 6.328 -4.798 0.000) 7.941 31.524 ( 5.612 -8.167 0.000) 9.909 31.679 ( -0.094 -1.560 0.000) 1.562 32.015 ( 1.793 0.726 0.000) 1.934 32.047 ( 3.049 6.154 0.000) 6.867 32.249 ( -3.014 2.423 0.000) 3.867 32.326 ( -0.358 5.298 0.000) 5.310 34.528 ( 6.718 26.299 0.000) 27.144 35.703 ( 1.991 18.739 0.000) 18.844 35.913 ( -29.988 16.499 0.000) 34.227 36.684 ( -7.442 -3.012 0.000) 8.029 37.507 ( 3.123 -5.336 0.000) 6.183 37.844 ( -0.968 -12.489 0.000) 12.526 37.922 ( 10.827 -10.512 0.000) 15.091 38.609 ( -5.043 -15.354 0.000) 16.161 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 5.513 -1.215 0.000) 5.646 1.619 ( -3.332 12.805 0.000) 13.232 1.758 ( 2.552 2.424 0.000) 3.520 1.864 ( -2.749 -0.184 0.000) 2.755 2.084 ( 0.114 6.353 0.000) 6.354 2.243 ( 4.059 -1.207 0.000) 4.235 2.316 ( -7.175 13.248 0.000) 15.066 2.541 ( -5.877 17.837 0.000) 18.780 2.574 ( -0.949 6.490 0.000) 6.559 3.012 ( 11.177 21.693 0.000) 24.404 3.080 ( -3.282 21.644 0.000) 21.892 3.294 ( -5.830 0.452 0.000) 5.847 3.449 ( 1.587 2.923 0.000) 3.327 3.491 ( -6.311 21.866 0.000) 22.759 3.632 ( -6.544 21.233 0.000) 22.219 3.805 ( -7.893 11.809 0.000) 14.204 3.817 ( -7.334 1.141 0.000) 7.422 3.839 ( 7.333 8.353 0.000) 11.115 4.062 ( -25.355 1.280 0.000) 25.387 4.201 ( -7.714 6.981 0.000) 10.404 4.673 ( 2.671 9.061 0.000) 9.446 4.693 ( -2.001 6.600 0.000) 6.896 4.911 ( 0.175 -9.824 0.000) 9.825 4.937 ( 7.991 9.949 0.000) 12.761 5.143 ( -1.827 6.897 0.000) 7.135 5.166 ( -2.020 1.478 0.000) 2.503 5.509 ( 2.503 6.684 0.000) 7.137 5.526 ( -1.982 -5.904 0.000) 6.228 5.697 ( -0.836 -7.448 0.000) 7.495 5.788 ( 0.714 8.875 0.000) 8.903 5.986 ( -0.655 -0.731 0.000) 0.981 6.049 ( -6.858 4.654 0.000) 8.289 6.187 ( -7.818 -3.445 0.000) 8.543 6.205 ( -6.783 7.782 0.000) 10.324 6.552 ( 3.401 -5.290 0.000) 6.289 6.658 ( -1.708 -8.185 0.000) 8.362 6.674 ( 6.681 4.001 0.000) 7.787 6.789 ( 6.550 -8.277 0.000) 10.556 6.853 ( -1.737 1.184 0.000) 2.102 6.935 ( 2.783 4.227 0.000) 5.061 7.047 ( 3.032 3.787 0.000) 4.852 7.161 ( 6.143 -0.233 0.000) 6.147 7.289 ( -0.889 -4.423 0.000) 4.511 7.473 ( 4.506 -9.524 0.000) 10.536 7.566 ( -4.668 -4.805 0.000) 6.698 7.633 ( -0.527 1.482 0.000) 1.573 7.671 ( -4.392 -1.748 0.000) 4.727 7.695 ( 5.792 -5.053 0.000) 7.687 7.895 ( 4.046 3.486 0.000) 5.341 8.051 ( -0.709 -5.208 0.000) 5.256 8.114 ( -10.839 0.071 0.000) 10.839 8.235 ( -3.774 -7.150 0.000) 8.085 8.287 ( 1.525 10.977 0.000) 11.083 8.419 ( -14.192 -5.869 0.000) 15.358 8.723 ( 5.362 4.178 0.000) 6.798 8.935 ( -5.759 1.994 0.000) 6.094 9.493 ( 16.391 -6.632 0.000) 17.682 9.766 ( 21.714 -11.637 0.000) 24.636 9.815 ( -0.137 -9.459 0.000) 9.460 10.301 ( -2.468 -12.060 0.000) 12.310 11.959 ( -1.237 -2.781 0.000) 3.044 11.987 ( -2.295 -1.985 0.000) 3.034 12.209 ( 1.746 -1.442 0.000) 2.264 12.214 ( 0.666 -1.025 0.000) 1.223 12.514 ( -0.067 3.871 0.000) 3.871 12.529 ( 2.766 6.981 0.000) 7.509 12.653 ( -0.551 2.143 0.000) 2.213 12.710 ( -1.701 -0.328 0.000) 1.732 12.899 ( -0.722 0.380 0.000) 0.816 12.971 ( -0.372 -0.310 0.000) 0.485 12.999 ( 6.347 -2.837 0.000) 6.952 13.109 ( 2.513 -0.541 0.000) 2.570 13.251 ( -4.565 -0.213 0.000) 4.570 13.262 ( -1.469 -2.426 0.000) 2.836 13.537 ( -0.291 -4.139 0.000) 4.150 13.588 ( -2.808 -4.920 0.000) 5.664 16.703 ( 0.355 -0.430 0.000) 0.557 16.718 ( 0.203 0.085 0.000) 0.220 16.856 ( 0.969 -1.503 0.000) 1.788 16.856 ( 0.490 -0.326 0.000) 0.589 17.204 ( 3.982 -5.439 0.000) 6.741 17.315 ( -1.614 -3.397 0.000) 3.761 17.417 ( 0.213 -3.508 0.000) 3.515 17.442 ( -0.742 -1.401 0.000) 1.585 17.747 ( 2.529 -1.226 0.000) 2.811 17.794 ( 4.362 -1.816 0.000) 4.725 17.969 ( -5.821 -4.645 0.000) 7.447 18.027 ( -6.323 1.298 0.000) 6.455 18.159 ( 2.921 -0.073 0.000) 2.922 18.192 ( -2.084 3.161 0.000) 3.786 18.282 ( -2.052 -2.132 0.000) 2.959 18.301 ( -0.064 2.487 0.000) 2.488 18.421 ( 1.293 -1.891 0.000) 2.291 18.492 ( -1.652 0.951 0.000) 1.907 18.639 ( 1.520 0.944 0.000) 1.789 18.685 ( 0.627 -0.233 0.000) 0.668 18.767 ( -0.670 1.798 0.000) 1.919 18.780 ( -3.406 3.173 0.000) 4.655 18.868 ( 3.769 2.442 0.000) 4.491 18.891 ( 1.302 2.798 0.000) 3.086 28.753 ( -0.542 7.537 0.000) 7.557 28.757 ( -0.651 6.773 0.000) 6.805 28.991 ( 4.242 9.113 0.000) 10.052 29.178 ( -5.830 4.902 0.000) 7.617 29.803 ( -0.460 3.959 0.000) 3.986 29.837 ( -3.469 -2.203 0.000) 4.109 29.967 ( 0.433 15.057 0.000) 15.063 30.080 ( -5.587 8.019 0.000) 9.773 30.436 ( 4.166 -1.281 0.000) 4.359 30.577 ( 0.023 -5.491 0.000) 5.491 30.658 ( -2.594 -0.409 0.000) 2.626 30.663 ( -0.533 -2.941 0.000) 2.989 30.823 ( 6.203 -7.719 0.000) 9.903 30.983 ( -2.580 -2.965 0.000) 3.930 31.147 ( 0.820 2.430 0.000) 2.565 31.168 ( -0.163 0.716 0.000) 0.734 31.426 ( 9.559 -3.897 0.000) 10.323 31.481 ( 2.152 -5.715 0.000) 6.107 31.655 ( 4.950 -4.205 0.000) 6.495 31.671 ( -0.381 -3.771 0.000) 3.790 32.069 ( 3.521 0.974 0.000) 3.653 32.122 ( 4.582 6.831 0.000) 8.225 32.194 ( -2.752 3.078 0.000) 4.129 32.290 ( -3.196 6.076 0.000) 6.865 34.726 ( 13.558 21.983 0.000) 25.828 35.406 ( -22.223 20.957 0.000) 30.546 35.783 ( 6.991 17.499 0.000) 18.844 36.366 ( -20.666 6.471 0.000) 21.655 37.640 ( 7.506 -12.310 0.000) 14.418 37.814 ( -2.186 -13.086 0.000) 13.268 38.113 ( 9.435 -12.129 0.000) 15.367 38.475 ( -8.458 -14.380 0.000) 16.683 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -18.239 -2.265 0.000) 18.379 1.277 ( 18.239 -2.265 0.000) 18.379 1.840 ( -1.430 1.531 0.000) 2.095 1.840 ( 1.430 1.531 0.000) 2.095 2.213 ( -6.234 4.547 0.000) 7.717 2.213 ( 6.234 4.547 0.000) 7.717 2.355 ( -9.816 11.748 0.000) 15.309 2.355 ( 9.816 11.748 0.000) 15.309 2.782 ( -20.545 -0.933 0.000) 20.566 2.782 ( 20.545 -0.933 0.000) 20.566 3.197 ( -5.980 12.868 0.000) 14.190 3.197 ( 5.980 12.868 0.000) 14.190 3.428 ( -1.168 21.113 0.000) 21.145 3.428 ( 1.168 21.113 0.000) 21.145 3.631 ( -7.254 7.849 0.000) 10.688 3.631 ( 7.254 7.849 0.000) 10.688 3.801 ( -3.901 11.010 0.000) 11.681 3.801 ( 3.901 11.010 0.000) 11.681 4.033 ( -9.368 9.133 0.000) 13.084 4.033 ( 9.368 9.133 0.000) 13.084 4.686 ( -0.640 10.563 0.000) 10.583 4.686 ( 0.640 10.563 0.000) 10.583 4.971 ( -4.191 -6.213 0.000) 7.494 4.971 ( 4.191 -6.213 0.000) 7.494 5.133 ( -1.671 9.009 0.000) 9.163 5.133 ( 1.671 9.009 0.000) 9.163 5.520 ( -0.233 0.046 0.000) 0.237 5.520 ( 0.233 0.046 0.000) 0.237 5.753 ( -3.186 6.755 0.000) 7.468 5.753 ( 3.186 6.755 0.000) 7.468 5.942 ( -0.417 -0.177 0.000) 0.453 5.942 ( 0.417 -0.177 0.000) 0.453 6.140 ( -0.260 3.238 0.000) 3.248 6.140 ( 0.260 3.238 0.000) 3.248 6.607 ( -2.538 -8.427 0.000) 8.801 6.607 ( 2.538 -8.427 0.000) 8.801 6.782 ( -3.711 0.751 0.000) 3.786 6.782 ( 3.711 0.751 0.000) 3.786 6.919 ( -4.347 0.042 0.000) 4.347 6.919 ( 4.347 0.042 0.000) 4.347 7.140 ( -4.574 6.733 0.000) 8.140 7.140 ( 4.574 6.733 0.000) 8.140 7.421 ( -9.259 -4.589 0.000) 10.334 7.421 ( 9.259 -4.589 0.000) 10.334 7.550 ( -4.034 -11.160 0.000) 11.867 7.550 ( 4.034 -11.160 0.000) 11.867 7.721 ( -5.018 -5.221 0.000) 7.241 7.721 ( 5.018 -5.221 0.000) 7.241 7.948 ( -1.839 9.323 0.000) 9.503 7.948 ( 1.839 9.323 0.000) 9.503 8.096 ( -5.749 -13.785 0.000) 14.936 8.096 ( 5.749 -13.785 0.000) 14.936 8.313 ( -0.791 5.564 0.000) 5.620 8.313 ( 0.791 5.564 0.000) 5.620 8.828 ( -5.519 4.409 0.000) 7.064 8.828 ( 5.519 4.409 0.000) 7.064 9.739 ( -8.292 -10.498 0.000) 13.378 9.739 ( 8.292 -10.498 0.000) 13.378 10.134 ( -14.792 -10.962 0.000) 18.411 10.134 ( 14.792 -10.962 0.000) 18.411 11.956 ( -0.846 -2.545 0.000) 2.682 11.956 ( 0.846 -2.545 0.000) 2.682 12.223 ( -0.139 -1.701 0.000) 1.706 12.223 ( 0.139 -1.701 0.000) 1.706 12.538 ( -1.546 7.197 0.000) 7.361 12.538 ( 1.546 7.197 0.000) 7.361 12.670 ( -2.104 1.009 0.000) 2.333 12.670 ( 2.104 1.009 0.000) 2.333 12.915 ( -2.773 1.031 0.000) 2.958 12.915 ( 2.773 1.031 0.000) 2.958 13.135 ( -6.781 -1.677 0.000) 6.985 13.135 ( 6.781 -1.677 0.000) 6.985 13.202 ( -4.544 -3.630 0.000) 5.816 13.202 ( 4.544 -3.630 0.000) 5.816 13.546 ( -1.340 -4.139 0.000) 4.350 13.546 ( 1.340 -4.139 0.000) 4.350 16.714 ( -0.563 -0.781 0.000) 0.962 16.714 ( 0.563 -0.781 0.000) 0.962 16.862 ( -0.182 -0.962 0.000) 0.979 16.862 ( 0.182 -0.962 0.000) 0.979 17.272 ( -2.910 -4.368 0.000) 5.249 17.272 ( 2.910 -4.368 0.000) 5.249 17.428 ( -0.756 -2.578 0.000) 2.686 17.428 ( 0.756 -2.578 0.000) 2.686 17.843 ( -6.369 -4.849 0.000) 8.004 17.843 ( 6.369 -4.849 0.000) 8.004 17.899 ( -6.182 0.301 0.000) 6.189 17.899 ( 6.182 0.301 0.000) 6.189 18.181 ( -0.334 2.637 0.000) 2.658 18.181 ( 0.334 2.637 0.000) 2.658 18.279 ( -1.631 0.778 0.000) 1.807 18.279 ( 1.631 0.778 0.000) 1.807 18.454 ( -2.069 -1.276 0.000) 2.431 18.454 ( 2.069 -1.276 0.000) 2.431 18.678 ( -1.942 0.227 0.000) 1.955 18.678 ( 1.942 0.227 0.000) 1.955 18.747 ( -0.620 3.347 0.000) 3.404 18.747 ( 0.620 3.347 0.000) 3.404 18.907 ( -0.244 2.521 0.000) 2.532 18.907 ( 0.244 2.521 0.000) 2.532 28.749 ( -0.142 6.975 0.000) 6.976 28.749 ( 0.142 6.975 0.000) 6.976 29.078 ( -4.762 8.082 0.000) 9.380 29.078 ( 4.762 8.082 0.000) 9.380 29.800 ( -0.559 0.133 0.000) 0.574 29.800 ( 0.559 0.133 0.000) 0.574 29.999 ( -2.827 13.159 0.000) 13.460 29.999 ( 2.827 13.159 0.000) 13.460 30.525 ( -4.615 -1.505 0.000) 4.854 30.525 ( 4.615 -1.505 0.000) 4.854 30.646 ( -0.932 -4.981 0.000) 5.068 30.646 ( 0.932 -4.981 0.000) 5.068 30.923 ( -3.969 -5.784 0.000) 7.015 30.923 ( 3.969 -5.784 0.000) 7.015 31.162 ( -0.576 2.030 0.000) 2.110 31.162 ( 0.576 2.030 0.000) 2.110 31.511 ( -0.112 -3.478 0.000) 3.479 31.511 ( 0.112 -3.478 0.000) 3.479 31.685 ( -1.143 -4.829 0.000) 4.962 31.685 ( 1.143 -4.829 0.000) 4.962 32.137 ( -3.262 2.250 0.000) 3.963 32.137 ( 3.262 2.250 0.000) 3.963 32.213 ( -4.575 7.044 0.000) 8.400 32.213 ( 4.575 7.044 0.000) 8.400 35.030 ( -17.502 19.540 0.000) 26.232 35.030 ( 17.502 19.540 0.000) 26.232 35.999 ( -15.722 13.764 0.000) 20.896 35.999 ( 15.722 13.764 0.000) 20.896 37.753 ( -4.302 -13.617 0.000) 14.281 37.753 ( 4.302 -13.617 0.000) 14.281 38.297 ( -9.648 -13.173 0.000) 16.329 38.297 ( 9.648 -13.173 0.000) 16.329 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.000 3.158 0.000) 3.158 1.723 ( 0.000 17.134 0.000) 17.134 1.778 ( 0.000 0.839 0.000) 0.839 1.829 ( 0.000 -13.594 0.000) 13.594 2.254 ( 0.000 9.317 0.000) 9.317 2.296 ( 0.000 24.098 0.000) 24.098 3.026 ( 0.000 11.983 0.000) 11.983 3.061 ( 0.000 16.380 0.000) 16.380 3.079 ( 0.000 8.657 0.000) 8.657 3.207 ( 0.000 -3.478 0.000) 3.478 3.320 ( 0.000 6.018 0.000) 6.018 3.571 ( 0.000 26.879 0.000) 26.879 3.805 ( 0.000 24.349 0.000) 24.349 3.828 ( 0.000 21.695 0.000) 21.695 3.999 ( 0.000 18.867 0.000) 18.867 4.209 ( 0.000 17.753 0.000) 17.753 4.292 ( 0.000 2.481 0.000) 2.481 4.373 ( 0.000 -7.083 0.000) 7.083 4.384 ( 0.000 0.201 0.000) 0.201 4.569 ( 0.000 7.924 0.000) 7.924 4.714 ( 0.000 -23.130 0.000) 23.130 4.890 ( 0.000 0.406 0.000) 0.406 4.980 ( 0.000 12.592 0.000) 12.592 4.986 ( 0.000 -7.407 0.000) 7.407 5.051 ( 0.000 3.784 0.000) 3.784 5.327 ( 0.000 6.820 0.000) 6.820 5.391 ( 0.000 12.594 0.000) 12.594 5.407 ( 0.000 -12.003 0.000) 12.003 5.468 ( 0.000 5.844 0.000) 5.844 5.929 ( 0.000 -0.891 0.000) 0.891 6.023 ( 0.000 1.846 0.000) 1.846 6.073 ( 0.000 -6.998 0.000) 6.998 6.109 ( 0.000 -17.361 0.000) 17.361 6.350 ( 0.000 -13.811 0.000) 13.811 6.448 ( 0.000 3.465 0.000) 3.465 6.512 ( 0.000 0.079 0.000) 0.079 6.649 ( 0.000 -0.764 0.000) 0.764 6.695 ( 0.000 -12.728 0.000) 12.728 6.718 ( 0.000 -5.230 0.000) 5.230 6.923 ( 0.000 -10.753 0.000) 10.753 6.953 ( 0.000 2.758 0.000) 2.758 7.103 ( 0.000 6.540 0.000) 6.540 7.191 ( 0.000 1.241 0.000) 1.241 7.322 ( 0.000 0.354 0.000) 0.354 7.427 ( 0.000 -3.913 0.000) 3.913 7.445 ( 0.000 -7.019 0.000) 7.019 7.446 ( 0.000 -0.692 0.000) 0.692 7.707 ( 0.000 -6.314 0.000) 6.314 7.869 ( 0.000 -1.346 0.000) 1.346 8.087 ( 0.000 21.743 0.000) 21.743 8.255 ( 0.000 -8.945 0.000) 8.945 8.525 ( 0.000 6.822 0.000) 6.822 8.595 ( 0.000 10.753 0.000) 10.753 8.678 ( 0.000 2.135 0.000) 2.135 8.692 ( 0.000 0.871 0.000) 0.871 8.916 ( 0.000 -2.544 0.000) 2.544 9.067 ( 0.000 -5.712 0.000) 5.712 9.298 ( 0.000 -1.972 0.000) 1.972 9.472 ( 0.000 -7.288 0.000) 7.288 9.874 ( 0.000 -20.557 0.000) 20.557 12.018 ( 0.000 -2.658 0.000) 2.658 12.062 ( 0.000 -1.100 0.000) 1.100 12.074 ( 0.000 -0.764 0.000) 0.764 12.155 ( 0.000 -2.216 0.000) 2.216 12.471 ( 0.000 2.805 0.000) 2.805 12.537 ( 0.000 -3.705 0.000) 3.705 12.695 ( 0.000 -5.179 0.000) 5.179 12.728 ( 0.000 -4.152 0.000) 4.152 12.788 ( 0.000 6.580 0.000) 6.580 12.824 ( 0.000 8.000 0.000) 8.000 13.021 ( 0.000 0.654 0.000) 0.654 13.240 ( 0.000 0.163 0.000) 0.163 13.273 ( 0.000 5.213 0.000) 5.213 13.335 ( 0.000 -5.462 0.000) 5.462 13.448 ( 0.000 -2.518 0.000) 2.518 13.541 ( 0.000 -6.543 0.000) 6.543 16.765 ( 0.000 0.483 0.000) 0.483 16.766 ( 0.000 1.382 0.000) 1.382 16.768 ( 0.000 4.353 0.000) 4.353 16.865 ( 0.000 1.540 0.000) 1.540 17.037 ( 0.000 0.062 0.000) 0.062 17.302 ( 0.000 -5.736 0.000) 5.736 17.322 ( 0.000 -0.886 0.000) 0.886 17.412 ( 0.000 -3.168 0.000) 3.168 17.680 ( 0.000 1.502 0.000) 1.502 18.003 ( 0.000 -2.132 0.000) 2.132 18.016 ( 0.000 7.065 0.000) 7.065 18.104 ( 0.000 -4.342 0.000) 4.342 18.124 ( 0.000 1.157 0.000) 1.157 18.131 ( 0.000 -4.844 0.000) 4.844 18.269 ( 0.000 1.814 0.000) 1.814 18.349 ( 0.000 -0.440 0.000) 0.440 18.353 ( 0.000 -1.083 0.000) 1.083 18.587 ( 0.000 -0.162 0.000) 0.162 18.654 ( 0.000 -3.958 0.000) 3.958 18.659 ( 0.000 1.235 0.000) 1.235 18.736 ( 0.000 1.151 0.000) 1.151 18.749 ( 0.000 2.189 0.000) 2.189 18.900 ( 0.000 1.271 0.000) 1.271 18.930 ( 0.000 1.021 0.000) 1.021 28.925 ( 0.000 7.150 0.000) 7.150 28.947 ( 0.000 7.571 0.000) 7.571 29.036 ( 0.000 5.087 0.000) 5.087 29.255 ( 0.000 -5.384 0.000) 5.384 29.985 ( 0.000 3.181 0.000) 3.181 30.026 ( 0.000 12.762 0.000) 12.762 30.212 ( 0.000 -1.848 0.000) 1.848 30.260 ( 0.000 -1.245 0.000) 1.245 30.291 ( 0.000 1.010 0.000) 1.010 30.314 ( 0.000 -0.749 0.000) 0.749 30.500 ( 0.000 -8.105 0.000) 8.105 30.716 ( 0.000 -0.176 0.000) 0.176 30.913 ( 0.000 0.698 0.000) 0.698 30.933 ( 0.000 1.380 0.000) 1.380 31.100 ( 0.000 1.976 0.000) 1.976 31.187 ( 0.000 -4.002 0.000) 4.002 31.219 ( 0.000 5.711 0.000) 5.711 31.232 ( 0.000 -2.204 0.000) 2.204 31.241 ( 0.000 -9.031 0.000) 9.031 31.637 ( 0.000 -3.839 0.000) 3.839 31.991 ( 0.000 0.169 0.000) 0.169 32.088 ( 0.000 0.380 0.000) 0.380 32.249 ( 0.000 -0.406 0.000) 0.406 32.436 ( 0.000 1.501 0.000) 1.501 35.102 ( 0.000 32.541 0.000) 32.541 36.038 ( 0.000 12.633 0.000) 12.633 36.423 ( 0.000 2.004 0.000) 2.004 36.585 ( 0.000 0.058 0.000) 0.058 37.530 ( 0.000 -1.487 0.000) 1.487 37.610 ( 0.000 -5.290 0.000) 5.290 37.634 ( 0.000 -7.164 0.000) 7.164 38.306 ( 0.000 -18.457 0.000) 18.457 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -4.065 7.754 0.000) 8.755 1.767 ( 0.005 1.511 0.000) 1.511 1.796 ( 4.683 9.896 0.000) 10.948 1.853 ( 1.538 -11.515 0.000) 11.617 2.175 ( -8.852 15.469 0.000) 17.823 2.274 ( 2.332 12.949 0.000) 13.157 2.966 ( -10.303 7.874 0.000) 12.967 2.998 ( -5.303 13.735 0.000) 14.723 3.043 ( -24.873 8.890 0.000) 26.414 3.171 ( 8.193 10.725 0.000) 13.496 3.369 ( 5.279 4.686 0.000) 7.059 3.422 ( -5.449 7.083 0.000) 8.937 3.657 ( -9.034 22.193 0.000) 23.962 3.891 ( 0.144 10.550 0.000) 10.551 3.979 ( -2.708 17.685 0.000) 17.891 3.983 ( -13.103 4.492 0.000) 13.851 4.207 ( -7.847 8.836 0.000) 11.817 4.223 ( -5.342 12.254 0.000) 13.368 4.405 ( -9.636 -5.591 0.000) 11.140 4.524 ( -26.489 -5.947 0.000) 27.149 4.679 ( 13.108 2.793 0.000) 13.403 4.728 ( -0.232 -5.346 0.000) 5.351 4.883 ( -1.258 8.508 0.000) 8.601 5.099 ( 1.939 12.489 0.000) 12.639 5.234 ( 9.421 1.685 0.000) 9.570 5.342 ( -2.961 6.881 0.000) 7.491 5.386 ( 7.226 1.637 0.000) 7.409 5.394 ( 0.481 -1.097 0.000) 1.198 5.680 ( 15.307 2.686 0.000) 15.541 5.801 ( -9.133 2.110 0.000) 9.373 6.019 ( -0.568 0.224 0.000) 0.611 6.056 ( -0.632 -10.738 0.000) 10.757 6.226 ( 6.594 -14.860 0.000) 16.257 6.337 ( -6.373 -5.791 0.000) 8.611 6.455 ( -0.424 4.496 0.000) 4.516 6.503 ( -0.359 -2.766 0.000) 2.789 6.627 ( 5.351 -1.390 0.000) 5.528 6.696 ( -2.606 -2.296 0.000) 3.473 6.724 ( 4.360 -13.124 0.000) 13.830 6.927 ( -0.514 6.096 0.000) 6.118 6.937 ( 2.427 -9.006 0.000) 9.327 7.098 ( -4.635 3.349 0.000) 5.718 7.265 ( 8.535 1.534 0.000) 8.672 7.373 ( 0.094 -9.072 0.000) 9.072 7.386 ( -3.785 2.232 0.000) 4.394 7.487 ( 2.939 -7.944 0.000) 8.470 7.555 ( 10.967 -3.334 0.000) 11.462 7.701 ( -1.242 -4.344 0.000) 4.518 7.882 ( 2.016 -3.859 0.000) 4.354 8.044 ( -6.046 17.352 0.000) 18.376 8.261 ( -3.499 -5.966 0.000) 6.916 8.383 ( -11.230 8.131 0.000) 13.865 8.521 ( -3.597 5.357 0.000) 6.453 8.620 ( -7.250 0.906 0.000) 7.306 8.661 ( 1.215 2.756 0.000) 3.012 9.067 ( -12.126 -3.047 0.000) 12.503 9.121 ( 13.732 -1.686 0.000) 13.835 9.210 ( 16.361 -4.970 0.000) 17.099 9.634 ( 6.066 -5.974 0.000) 8.514 9.962 ( 7.741 -16.693 0.000) 18.400 11.966 ( -3.011 -1.013 0.000) 3.177 12.027 ( -3.486 -0.226 0.000) 3.493 12.109 ( 2.539 -3.215 0.000) 4.097 12.161 ( 0.010 -3.250 0.000) 3.250 12.534 ( 5.834 3.524 0.000) 6.816 12.535 ( 0.612 -1.041 0.000) 1.208 12.724 ( 1.754 -2.271 0.000) 2.869 12.731 ( 0.096 -0.200 0.000) 0.222 12.829 ( 4.290 2.400 0.000) 4.916 12.855 ( 3.359 3.975 0.000) 5.204 12.983 ( -3.535 0.781 0.000) 3.620 13.234 ( -3.780 4.539 0.000) 5.907 13.244 ( 0.046 -0.231 0.000) 0.235 13.309 ( -2.837 -3.854 0.000) 4.785 13.446 ( -0.165 -3.617 0.000) 3.621 13.519 ( -2.022 -6.431 0.000) 6.741 16.736 ( -1.215 1.778 0.000) 2.154 16.762 ( -0.638 3.592 0.000) 3.648 16.801 ( 1.769 -0.378 0.000) 1.809 16.865 ( -0.170 1.116 0.000) 1.129 17.068 ( 3.051 0.038 0.000) 3.051 17.304 ( -1.567 -0.972 0.000) 1.844 17.319 ( 1.509 -5.116 0.000) 5.334 17.414 ( -0.053 -2.777 0.000) 2.778 17.705 ( 2.558 1.208 0.000) 2.829 17.875 ( -8.084 6.369 0.000) 10.291 17.994 ( -4.124 -3.586 0.000) 5.465 18.062 ( 2.735 -1.975 0.000) 3.373 18.135 ( -3.167 0.047 0.000) 3.168 18.202 ( 3.029 -4.391 0.000) 5.334 18.290 ( -0.814 1.875 0.000) 2.044 18.316 ( -0.600 0.169 0.000) 0.623 18.372 ( 1.682 -0.771 0.000) 1.850 18.568 ( -1.696 1.105 0.000) 2.024 18.655 ( 0.208 -0.525 0.000) 0.565 18.660 ( -0.075 -0.117 0.000) 0.139 18.737 ( 0.959 -1.184 0.000) 1.524 18.813 ( 4.683 1.008 0.000) 4.790 18.884 ( -1.877 1.496 0.000) 2.400 18.918 ( -0.533 0.825 0.000) 0.982 28.917 ( -0.725 7.152 0.000) 7.189 28.933 ( -1.135 7.628 0.000) 7.712 29.058 ( 2.079 4.354 0.000) 4.825 29.240 ( -1.493 -3.870 0.000) 4.148 29.918 ( -5.758 1.625 0.000) 5.983 29.993 ( -3.328 10.487 0.000) 11.002 30.126 ( -0.611 1.255 0.000) 1.396 30.251 ( -0.388 2.374 0.000) 2.406 30.339 ( 2.353 -1.594 0.000) 2.842 30.445 ( 3.254 -3.057 0.000) 4.464 30.550 ( 7.408 -5.737 0.000) 9.370 30.660 ( -4.758 -2.871 0.000) 5.557 30.804 ( -4.276 5.062 0.000) 6.626 31.025 ( -4.369 -0.231 0.000) 4.375 31.118 ( 11.885 -2.811 0.000) 12.213 31.166 ( -0.033 -0.635 0.000) 0.636 31.214 ( -0.319 5.059 0.000) 5.069 31.304 ( 4.995 -4.561 0.000) 6.764 31.394 ( 10.526 -5.262 0.000) 11.768 31.617 ( -2.100 -4.810 0.000) 5.249 32.010 ( 2.070 0.239 0.000) 2.084 32.117 ( 2.936 0.227 0.000) 2.945 32.241 ( -0.789 0.491 0.000) 0.929 32.428 ( -0.999 1.476 0.000) 1.783 35.133 ( 3.383 31.189 0.000) 31.372 36.045 ( 1.006 12.100 0.000) 12.142 36.171 ( -18.654 10.527 0.000) 21.419 36.626 ( -2.676 -3.356 0.000) 4.293 37.452 ( -2.407 -0.286 0.000) 2.424 37.622 ( -1.204 -7.215 0.000) 7.315 37.726 ( 7.253 -8.561 0.000) 11.221 38.266 ( -4.059 -17.878 0.000) 18.333 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.683 13.001 0.000) 13.110 1.710 ( -8.828 2.520 0.000) 9.180 1.825 ( -3.521 -3.303 0.000) 4.828 1.843 ( -1.952 -0.599 0.000) 2.042 2.125 ( 3.906 -6.048 0.000) 7.199 2.307 ( -6.549 14.491 0.000) 15.902 2.492 ( -14.173 5.398 0.000) 15.166 2.605 ( -20.320 -5.335 0.000) 21.009 2.910 ( -5.025 17.500 0.000) 18.207 3.191 ( -24.546 -2.272 0.000) 24.650 3.329 ( 7.741 7.647 0.000) 10.881 3.493 ( 7.001 4.569 0.000) 8.360 3.530 ( -1.285 9.597 0.000) 9.683 3.815 ( -7.452 6.293 0.000) 9.754 3.897 ( -4.036 11.474 0.000) 12.163 3.935 ( 6.114 11.853 0.000) 13.337 4.020 ( -8.104 9.061 0.000) 12.157 4.098 ( -5.642 9.775 0.000) 11.287 4.240 ( -2.657 17.554 0.000) 17.754 4.262 ( -6.605 0.682 0.000) 6.641 4.691 ( -1.596 -9.153 0.000) 9.291 4.840 ( -5.370 -1.138 0.000) 5.489 4.919 ( 11.188 9.523 0.000) 14.692 5.080 ( -0.785 10.332 0.000) 10.362 5.293 ( -2.093 12.452 0.000) 12.627 5.338 ( 1.744 11.304 0.000) 11.438 5.447 ( 4.086 1.814 0.000) 4.471 5.576 ( 4.564 -7.317 0.000) 8.624 5.653 ( -0.412 6.565 0.000) 6.578 5.915 ( 5.828 1.046 0.000) 5.921 5.998 ( -0.065 -0.581 0.000) 0.585 6.069 ( 2.837 -8.171 0.000) 8.649 6.156 ( -5.647 6.077 0.000) 8.296 6.355 ( -8.562 5.334 0.000) 10.088 6.393 ( 5.831 -8.897 0.000) 10.637 6.513 ( -2.424 -2.489 0.000) 3.474 6.683 ( 2.432 -2.941 0.000) 3.817 6.686 ( 4.255 -1.460 0.000) 4.499 6.914 ( 2.160 2.256 0.000) 3.123 6.967 ( 12.953 -12.124 0.000) 17.742 6.982 ( 0.422 -6.099 0.000) 6.114 7.068 ( 2.525 0.040 0.000) 2.526 7.322 ( 0.025 1.886 0.000) 1.886 7.343 ( -3.274 -13.370 0.000) 13.765 7.347 ( -2.039 0.688 0.000) 2.152 7.553 ( 3.823 -7.382 0.000) 8.313 7.606 ( -8.362 -0.653 0.000) 8.388 7.739 ( 4.760 -10.793 0.000) 11.795 7.825 ( -11.019 10.781 0.000) 15.416 7.911 ( -0.593 -7.089 0.000) 7.114 8.137 ( -5.697 2.246 0.000) 6.124 8.223 ( -6.678 10.711 0.000) 12.623 8.471 ( -2.263 5.026 0.000) 5.512 8.476 ( -5.127 3.034 0.000) 5.958 8.736 ( 5.266 -2.239 0.000) 5.723 8.909 ( -5.007 -3.810 0.000) 6.292 9.382 ( 13.274 -2.400 0.000) 13.489 9.609 ( 21.436 -5.485 0.000) 22.127 9.677 ( -1.013 -4.115 0.000) 4.238 10.066 ( 0.703 -12.027 0.000) 12.048 11.926 ( -0.931 -0.241 0.000) 0.961 11.966 ( -2.626 0.035 0.000) 2.627 12.142 ( 0.937 -4.744 0.000) 4.836 12.156 ( -0.326 -4.225 0.000) 4.238 12.578 ( 3.760 2.530 0.000) 4.532 12.660 ( 6.123 5.040 0.000) 7.931 12.722 ( -1.325 4.153 0.000) 4.359 12.745 ( 0.408 2.680 0.000) 2.711 12.911 ( -2.864 -0.684 0.000) 2.944 12.920 ( 3.473 -2.588 0.000) 4.331 12.952 ( 6.382 -0.066 0.000) 6.382 13.153 ( -3.297 3.471 0.000) 4.787 13.223 ( -5.931 -2.503 0.000) 6.438 13.226 ( -2.185 -0.791 0.000) 2.324 13.444 ( 0.011 -4.735 0.000) 4.735 13.476 ( -2.088 -5.966 0.000) 6.321 16.722 ( -0.168 1.914 0.000) 1.921 16.746 ( -0.923 2.521 0.000) 2.685 16.829 ( 1.105 -0.965 0.000) 1.467 16.857 ( -0.583 0.040 0.000) 0.584 17.140 ( 3.934 -0.337 0.000) 3.948 17.266 ( -2.410 -1.008 0.000) 2.612 17.348 ( 1.385 -3.644 0.000) 3.899 17.403 ( -1.109 -2.555 0.000) 2.785 17.774 ( 4.408 0.518 0.000) 4.439 17.784 ( -1.152 4.330 0.000) 4.481 17.904 ( -4.163 -1.488 0.000) 4.420 18.031 ( -6.666 -0.598 0.000) 6.693 18.150 ( 5.077 -1.853 0.000) 5.404 18.231 ( 0.173 -2.600 0.000) 2.606 18.249 ( -2.056 1.737 0.000) 2.692 18.292 ( -2.096 -2.280 0.000) 3.097 18.420 ( 2.470 1.465 0.000) 2.871 18.524 ( -2.873 2.021 0.000) 3.513 18.663 ( 0.656 -1.210 0.000) 1.376 18.667 ( 0.910 1.185 0.000) 1.494 18.757 ( 0.910 -1.593 0.000) 1.835 18.832 ( -3.099 1.764 0.000) 3.566 18.897 ( 3.381 -0.227 0.000) 3.389 18.923 ( 0.801 0.125 0.000) 0.811 28.903 ( -0.591 7.230 0.000) 7.255 28.911 ( -1.012 7.591 0.000) 7.658 29.107 ( 2.770 2.659 0.000) 3.840 29.204 ( -2.115 -1.302 0.000) 2.483 29.835 ( -2.131 2.143 0.000) 3.023 29.910 ( -4.652 6.616 0.000) 8.088 30.165 ( 3.521 1.803 0.000) 3.956 30.250 ( -0.020 7.316 0.000) 7.316 30.398 ( 3.430 -2.687 0.000) 4.357 30.451 ( -0.667 -3.511 0.000) 3.574 30.568 ( -4.045 -6.844 0.000) 7.949 30.622 ( -2.481 -4.831 0.000) 5.431 30.804 ( 4.668 6.718 0.000) 8.180 30.956 ( -3.095 1.671 0.000) 3.517 31.182 ( 1.453 0.429 0.000) 1.515 31.213 ( 0.187 3.729 0.000) 3.734 31.348 ( 10.613 -4.191 0.000) 11.411 31.398 ( 4.263 -2.352 0.000) 4.868 31.548 ( 4.280 -6.167 0.000) 7.507 31.564 ( -2.787 -6.477 0.000) 7.051 32.073 ( 4.247 0.623 0.000) 4.292 32.199 ( 5.416 0.322 0.000) 5.426 32.216 ( -2.000 1.547 0.000) 2.529 32.389 ( -3.145 1.508 0.000) 3.488 35.246 ( 8.625 27.472 0.000) 28.794 35.798 ( -18.896 18.004 0.000) 26.100 36.093 ( 4.510 10.427 0.000) 11.360 36.463 ( -12.155 1.419 0.000) 12.237 37.467 ( 2.964 -3.792 0.000) 4.813 37.588 ( -2.355 -7.199 0.000) 7.575 37.867 ( 7.424 -11.701 0.000) 13.857 38.158 ( -6.826 -16.322 0.000) 17.692 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -19.876 9.308 0.000) 21.948 1.350 ( 19.876 9.308 0.000) 21.948 1.801 ( -1.089 -3.419 0.000) 3.588 1.801 ( 1.089 -3.419 0.000) 3.588 2.173 ( -0.406 -6.390 0.000) 6.402 2.173 ( 0.406 -6.390 0.000) 6.402 2.445 ( -3.342 -8.672 0.000) 9.294 2.445 ( 3.342 -8.672 0.000) 9.294 2.851 ( -3.423 14.393 0.000) 14.795 2.851 ( 3.423 14.393 0.000) 14.795 3.464 ( -6.001 9.093 0.000) 10.895 3.464 ( 6.001 9.093 0.000) 10.895 3.650 ( -9.007 5.126 0.000) 10.364 3.650 ( 9.007 5.126 0.000) 10.364 3.883 ( -3.055 10.595 0.000) 11.027 3.883 ( 3.055 10.595 0.000) 11.027 4.082 ( -0.027 15.542 0.000) 15.542 4.082 ( 0.027 15.542 0.000) 15.542 4.188 ( -2.807 8.705 0.000) 9.147 4.188 ( 2.807 8.705 0.000) 9.147 4.712 ( -4.732 -11.918 0.000) 12.823 4.712 ( 4.732 -11.918 0.000) 12.823 5.075 ( -2.901 18.969 0.000) 19.189 5.075 ( 2.901 18.969 0.000) 19.189 5.297 ( -3.717 6.588 0.000) 7.564 5.297 ( 3.717 6.588 0.000) 7.564 5.510 ( -2.732 0.270 0.000) 2.745 5.510 ( 2.732 0.270 0.000) 2.745 5.833 ( -9.517 -2.686 0.000) 9.889 5.833 ( 9.517 -2.686 0.000) 9.889 6.079 ( -4.092 6.650 0.000) 7.809 6.079 ( 4.092 6.650 0.000) 7.809 6.178 ( -8.241 4.938 0.000) 9.608 6.178 ( 8.241 4.938 0.000) 9.608 6.458 ( -2.098 -4.105 0.000) 4.610 6.458 ( 2.098 -4.105 0.000) 4.610 6.740 ( -1.212 -3.622 0.000) 3.819 6.740 ( 1.212 -3.622 0.000) 3.819 6.944 ( -2.798 -0.439 0.000) 2.832 6.944 ( 2.798 -0.439 0.000) 2.832 7.179 ( -0.698 -10.396 0.000) 10.420 7.179 ( 0.698 -10.396 0.000) 10.420 7.251 ( -0.638 -7.277 0.000) 7.305 7.251 ( 0.638 -7.277 0.000) 7.305 7.400 ( -8.897 1.787 0.000) 9.074 7.400 ( 8.897 1.787 0.000) 9.074 7.641 ( -5.511 -3.909 0.000) 6.757 7.641 ( 5.511 -3.909 0.000) 6.757 7.863 ( -3.920 -5.576 0.000) 6.816 7.863 ( 3.920 -5.576 0.000) 6.816 8.107 ( -3.097 7.343 0.000) 7.970 8.107 ( 3.097 7.343 0.000) 7.970 8.443 ( -0.452 5.188 0.000) 5.208 8.443 ( 0.452 5.188 0.000) 5.208 8.829 ( -4.191 -3.675 0.000) 5.574 8.829 ( 4.191 -3.675 0.000) 5.574 9.593 ( -7.830 -2.818 0.000) 8.321 9.593 ( 7.830 -2.818 0.000) 8.321 9.951 ( -12.564 -8.459 0.000) 15.146 9.951 ( 12.564 -8.459 0.000) 15.146 11.929 ( -1.139 0.019 0.000) 1.139 11.929 ( 1.139 0.019 0.000) 1.139 12.151 ( -0.185 -4.873 0.000) 4.877 12.151 ( 0.185 -4.873 0.000) 4.877 12.663 ( -4.428 4.135 0.000) 6.059 12.663 ( 4.428 4.135 0.000) 6.059 12.737 ( -1.587 6.064 0.000) 6.268 12.737 ( 1.587 6.064 0.000) 6.268 12.913 ( -2.704 -2.085 0.000) 3.415 12.913 ( 2.704 -2.085 0.000) 3.415 13.090 ( -7.463 -1.979 0.000) 7.721 13.090 ( 7.463 -1.979 0.000) 7.721 13.163 ( -3.545 0.040 0.000) 3.545 13.163 ( 3.545 0.040 0.000) 3.545 13.449 ( -0.666 -5.271 0.000) 5.313 13.449 ( 0.666 -5.271 0.000) 5.313 16.729 ( -0.765 1.994 0.000) 2.136 16.729 ( 0.765 1.994 0.000) 2.136 16.845 ( -0.634 -0.747 0.000) 0.980 16.845 ( 0.634 -0.747 0.000) 0.980 17.211 ( -3.322 -0.859 0.000) 3.431 17.211 ( 3.322 -0.859 0.000) 3.431 17.376 ( -1.540 -2.771 0.000) 3.170 17.376 ( 1.540 -2.771 0.000) 3.170 17.807 ( -2.301 0.951 0.000) 2.490 17.807 ( 2.301 0.951 0.000) 2.490 17.905 ( -5.551 0.318 0.000) 5.560 17.905 ( 5.551 0.318 0.000) 5.560 18.223 ( -1.135 0.514 0.000) 1.246 18.223 ( 1.135 0.514 0.000) 1.246 18.242 ( -2.703 -3.111 0.000) 4.121 18.242 ( 2.703 -3.111 0.000) 4.121 18.468 ( -2.713 2.060 0.000) 3.406 18.468 ( 2.713 2.060 0.000) 3.406 18.676 ( -0.243 -0.485 0.000) 0.543 18.676 ( 0.243 -0.485 0.000) 0.543 18.780 ( -1.935 0.759 0.000) 2.079 18.780 ( 1.935 0.759 0.000) 2.079 18.932 ( -0.352 -0.443 0.000) 0.566 18.932 ( 0.352 -0.443 0.000) 0.566 28.899 ( -0.222 7.413 0.000) 7.417 28.899 ( 0.222 7.413 0.000) 7.417 29.159 ( -2.537 0.728 0.000) 2.640 29.159 ( 2.537 0.728 0.000) 2.640 29.838 ( -2.302 3.950 0.000) 4.572 29.838 ( 2.302 3.950 0.000) 4.572 30.230 ( -2.492 6.262 0.000) 6.739 30.230 ( 2.492 6.262 0.000) 6.739 30.441 ( -0.546 -5.971 0.000) 5.996 30.441 ( 0.546 -5.971 0.000) 5.996 30.550 ( -2.881 -3.496 0.000) 4.530 30.550 ( 2.881 -3.496 0.000) 4.530 30.893 ( -3.777 3.681 0.000) 5.274 30.893 ( 3.777 3.681 0.000) 5.274 31.208 ( -0.928 2.204 0.000) 2.392 31.208 ( 0.928 2.204 0.000) 2.392 31.455 ( -0.731 -2.198 0.000) 2.316 31.455 ( 0.731 -2.198 0.000) 2.316 31.555 ( -2.300 -7.685 0.000) 8.022 31.555 ( 2.300 -7.685 0.000) 8.022 32.157 ( -4.026 1.384 0.000) 4.257 32.157 ( 4.026 1.384 0.000) 4.257 32.307 ( -5.220 1.073 0.000) 5.329 32.307 ( 5.220 1.073 0.000) 5.329 35.471 ( -14.616 22.832 0.000) 27.110 35.471 ( 14.616 22.832 0.000) 27.110 36.234 ( -10.191 7.057 0.000) 12.396 36.234 ( 10.191 7.057 0.000) 12.396 37.533 ( -3.328 -6.469 0.000) 7.275 37.533 ( 3.328 -6.469 0.000) 7.275 38.014 ( -7.773 -14.172 0.000) 16.164 38.014 ( 7.773 -14.172 0.000) 16.164 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 6.355 0.000) 6.355 1.570 ( 0.000 -11.314 0.000) 11.314 1.806 ( 0.000 1.958 0.000) 1.958 1.846 ( 0.000 -0.921 0.000) 0.921 2.595 ( 0.000 20.626 0.000) 20.626 2.811 ( 0.000 22.970 0.000) 22.970 2.982 ( 0.000 -16.312 0.000) 16.312 3.098 ( 0.000 -4.404 0.000) 4.404 3.133 ( 0.000 3.639 0.000) 3.639 3.218 ( 0.000 -2.372 0.000) 2.372 3.660 ( 0.000 22.116 0.000) 22.116 4.004 ( 0.000 14.396 0.000) 14.396 4.115 ( 0.000 4.048 0.000) 4.048 4.125 ( 0.000 -21.661 0.000) 21.661 4.242 ( 0.000 17.245 0.000) 17.245 4.279 ( 0.000 -0.110 0.000) 0.110 4.377 ( 0.000 -8.003 0.000) 8.003 4.406 ( 0.000 4.805 0.000) 4.805 4.407 ( 0.000 17.069 0.000) 17.069 4.510 ( 0.000 5.880 0.000) 5.880 4.612 ( 0.000 -3.000 0.000) 3.000 4.644 ( 0.000 -13.166 0.000) 13.166 5.038 ( 0.000 3.020 0.000) 3.020 5.052 ( 0.000 2.445 0.000) 2.445 5.237 ( 0.000 8.757 0.000) 8.757 5.377 ( 0.000 10.388 0.000) 10.388 5.447 ( 0.000 0.432 0.000) 0.432 5.564 ( 0.000 -1.093 0.000) 1.093 5.729 ( 0.000 16.980 0.000) 16.980 5.735 ( 0.000 -16.522 0.000) 16.522 5.784 ( 0.000 -12.428 0.000) 12.428 5.942 ( 0.000 1.699 0.000) 1.699 5.982 ( 0.000 -4.882 0.000) 4.882 6.066 ( 0.000 -11.486 0.000) 11.486 6.458 ( 0.000 -4.355 0.000) 4.355 6.504 ( 0.000 -6.509 0.000) 6.509 6.570 ( 0.000 0.080 0.000) 0.080 6.571 ( 0.000 -5.551 0.000) 5.551 6.611 ( 0.000 -2.605 0.000) 2.605 6.629 ( 0.000 -3.975 0.000) 3.975 7.068 ( 0.000 7.710 0.000) 7.710 7.203 ( 0.000 1.041 0.000) 1.041 7.219 ( 0.000 -3.961 0.000) 3.961 7.256 ( 0.000 -3.973 0.000) 3.973 7.387 ( 0.000 7.168 0.000) 7.168 7.504 ( 0.000 1.393 0.000) 1.393 7.519 ( 0.000 6.011 0.000) 6.011 7.612 ( 0.000 -3.669 0.000) 3.669 7.832 ( 0.000 1.915 0.000) 1.915 8.023 ( 0.000 -12.920 0.000) 12.920 8.503 ( 0.000 14.709 0.000) 14.709 8.617 ( 0.000 1.177 0.000) 1.177 8.732 ( 0.000 2.319 0.000) 2.319 8.733 ( 0.000 2.982 0.000) 2.982 8.861 ( 0.000 16.091 0.000) 16.091 8.901 ( 0.000 1.111 0.000) 1.111 8.961 ( 0.000 -4.498 0.000) 4.498 9.257 ( 0.000 -16.411 0.000) 16.411 9.296 ( 0.000 2.745 0.000) 2.745 9.462 ( 0.000 -15.790 0.000) 15.790 11.996 ( 0.000 0.441 0.000) 0.441 12.026 ( 0.000 -2.106 0.000) 2.106 12.070 ( 0.000 0.561 0.000) 0.561 12.101 ( 0.000 -2.429 0.000) 2.429 12.518 ( 0.000 1.678 0.000) 1.678 12.544 ( 0.000 4.191 0.000) 4.191 12.589 ( 0.000 -4.803 0.000) 4.803 12.636 ( 0.000 -4.679 0.000) 4.679 12.952 ( 0.000 9.315 0.000) 9.315 12.967 ( 0.000 5.070 0.000) 5.070 13.022 ( 0.000 -0.850 0.000) 0.850 13.155 ( 0.000 -10.215 0.000) 10.215 13.281 ( 0.000 4.255 0.000) 4.255 13.367 ( 0.000 3.793 0.000) 3.793 13.402 ( 0.000 -6.874 0.000) 6.874 13.422 ( 0.000 -1.621 0.000) 1.621 16.776 ( 0.000 0.496 0.000) 0.496 16.781 ( 0.000 0.121 0.000) 0.121 16.854 ( 0.000 3.479 0.000) 3.479 16.889 ( 0.000 0.129 0.000) 0.129 17.085 ( 0.000 4.173 0.000) 4.173 17.187 ( 0.000 -5.491 0.000) 5.491 17.315 ( 0.000 0.445 0.000) 0.445 17.347 ( 0.000 -2.736 0.000) 2.736 17.769 ( 0.000 6.866 0.000) 6.866 17.921 ( 0.000 -6.602 0.000) 6.602 18.043 ( 0.000 -1.611 0.000) 1.611 18.045 ( 0.000 -2.284 0.000) 2.284 18.137 ( 0.000 2.965 0.000) 2.965 18.146 ( 0.000 0.876 0.000) 0.876 18.325 ( 0.000 2.796 0.000) 2.796 18.337 ( 0.000 -0.464 0.000) 0.464 18.352 ( 0.000 3.442 0.000) 3.442 18.515 ( 0.000 -8.817 0.000) 8.817 18.612 ( 0.000 2.203 0.000) 2.203 18.655 ( 0.000 -1.505 0.000) 1.505 18.767 ( 0.000 1.168 0.000) 1.168 18.775 ( 0.000 0.403 0.000) 0.403 18.921 ( 0.000 0.804 0.000) 0.804 18.934 ( 0.000 -0.402 0.000) 0.402 29.055 ( 0.000 5.545 0.000) 5.545 29.066 ( 0.000 3.824 0.000) 3.824 29.096 ( 0.000 0.803 0.000) 0.803 29.155 ( 0.000 -4.647 0.000) 4.647 30.068 ( 0.000 4.743 0.000) 4.743 30.160 ( 0.000 -3.697 0.000) 3.697 30.230 ( 0.000 3.044 0.000) 3.044 30.279 ( 0.000 -2.336 0.000) 2.336 30.310 ( 0.000 1.265 0.000) 1.265 30.338 ( 0.000 12.541 0.000) 12.541 30.365 ( 0.000 -4.665 0.000) 4.665 30.600 ( 0.000 -10.991 0.000) 10.991 30.933 ( 0.000 1.040 0.000) 1.040 30.946 ( 0.000 -0.077 0.000) 0.077 31.117 ( 0.000 0.022 0.000) 0.022 31.130 ( 0.000 0.796 0.000) 0.796 31.166 ( 0.000 -1.375 0.000) 1.375 31.175 ( 0.000 -2.853 0.000) 2.853 31.358 ( 0.000 7.741 0.000) 7.741 31.518 ( 0.000 -7.456 0.000) 7.456 32.013 ( 0.000 1.928 0.000) 1.928 32.061 ( 0.000 -2.395 0.000) 2.395 32.292 ( 0.000 4.346 0.000) 4.346 32.394 ( 0.000 -4.619 0.000) 4.619 35.712 ( 0.000 25.835 0.000) 25.835 36.086 ( 0.000 -9.081 0.000) 9.081 36.488 ( 0.000 3.862 0.000) 3.862 36.558 ( 0.000 -2.624 0.000) 2.624 37.513 ( 0.000 -0.099 0.000) 0.099 37.533 ( 0.000 -2.298 0.000) 2.298 37.645 ( 0.000 8.780 0.000) 8.780 37.932 ( 0.000 -17.551 0.000) 17.551 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 2.921 8.200 0.000) 8.705 1.615 ( 4.253 -11.005 0.000) 11.799 1.794 ( -1.197 1.963 0.000) 2.300 1.842 ( -0.779 -2.057 0.000) 2.200 2.572 ( -22.014 20.622 0.000) 30.165 2.639 ( 3.161 19.028 0.000) 19.289 2.918 ( -21.225 -11.380 0.000) 24.084 2.968 ( -5.876 -12.397 0.000) 13.719 3.169 ( 2.703 5.227 0.000) 5.884 3.242 ( 3.000 -1.159 0.000) 3.217 3.650 ( -29.333 12.753 0.000) 31.986 3.658 ( 0.836 19.795 0.000) 19.812 3.838 ( -27.754 -3.593 0.000) 27.985 4.073 ( -6.888 -11.258 0.000) 13.198 4.101 ( -4.216 -2.660 0.000) 4.986 4.111 ( -4.868 10.935 0.000) 11.970 4.230 ( -5.640 -5.611 0.000) 7.956 4.254 ( -8.095 0.760 0.000) 8.131 4.434 ( -7.117 12.377 0.000) 14.278 4.589 ( -1.420 5.821 0.000) 5.992 4.699 ( 6.265 1.530 0.000) 6.449 4.736 ( 8.538 -0.850 0.000) 8.581 4.960 ( -8.491 2.821 0.000) 8.948 5.133 ( 5.396 -4.170 0.000) 6.819 5.361 ( 8.697 7.505 0.000) 11.487 5.455 ( 7.723 13.139 0.000) 15.241 5.495 ( 5.793 6.129 0.000) 8.433 5.642 ( 3.763 5.617 0.000) 6.761 5.713 ( -2.199 -13.393 0.000) 13.572 5.759 ( 6.009 5.976 0.000) 8.474 5.841 ( -0.954 -9.895 0.000) 9.941 5.931 ( -5.032 -5.948 0.000) 7.791 5.975 ( 10.622 1.887 0.000) 10.788 6.171 ( 7.945 -11.720 0.000) 14.160 6.439 ( -1.339 -2.622 0.000) 2.944 6.496 ( -0.460 -7.090 0.000) 7.105 6.555 ( 1.166 0.859 0.000) 1.449 6.605 ( 3.160 -0.448 0.000) 3.191 6.614 ( 0.084 -3.381 0.000) 3.382 6.694 ( 5.177 -6.647 0.000) 8.425 7.091 ( 0.949 9.282 0.000) 9.331 7.142 ( -4.787 1.762 0.000) 5.101 7.212 ( -4.497 -5.885 0.000) 7.407 7.291 ( 3.386 -9.808 0.000) 10.376 7.386 ( 1.406 8.448 0.000) 8.564 7.493 ( -0.651 2.087 0.000) 2.186 7.584 ( 4.660 3.367 0.000) 5.750 7.640 ( 1.592 -2.241 0.000) 2.749 7.834 ( 0.536 3.523 0.000) 3.564 8.058 ( 2.000 -13.433 0.000) 13.582 8.379 ( -12.751 13.852 0.000) 18.827 8.570 ( -5.495 -3.052 0.000) 6.286 8.610 ( -5.192 4.881 0.000) 7.126 8.688 ( -3.311 -1.635 0.000) 3.692 8.689 ( -12.326 14.974 0.000) 19.395 8.963 ( -12.680 -8.507 0.000) 15.270 9.111 ( 14.594 0.766 0.000) 14.614 9.143 ( 16.798 -2.241 0.000) 16.947 9.540 ( 9.413 -1.706 0.000) 9.566 9.642 ( 13.306 -12.332 0.000) 18.142 11.973 ( -1.541 1.819 0.000) 2.385 12.034 ( 0.297 -3.777 0.000) 3.788 12.039 ( -2.512 1.485 0.000) 2.918 12.089 ( -1.180 -3.297 0.000) 3.502 12.551 ( 3.366 2.685 0.000) 4.306 12.606 ( 5.745 3.532 0.000) 6.744 12.633 ( 4.095 -4.963 0.000) 6.435 12.679 ( 4.041 -3.559 0.000) 5.385 12.959 ( -0.868 3.995 0.000) 4.088 12.961 ( 0.741 8.636 0.000) 8.668 12.995 ( -2.642 -0.049 0.000) 2.642 13.148 ( -0.915 -9.215 0.000) 9.260 13.275 ( -0.744 3.684 0.000) 3.758 13.334 ( -3.232 3.876 0.000) 5.046 13.385 ( -1.573 -6.513 0.000) 6.701 13.397 ( -2.361 -2.322 0.000) 3.311 16.769 ( -0.340 1.399 0.000) 1.439 16.791 ( 0.736 -0.727 0.000) 1.034 16.837 ( -1.490 3.305 0.000) 3.626 16.877 ( -1.239 -0.420 0.000) 1.309 17.116 ( 2.868 4.038 0.000) 4.953 17.213 ( 2.434 -5.198 0.000) 5.740 17.305 ( -0.922 1.143 0.000) 1.469 17.350 ( 0.005 -3.099 0.000) 3.099 17.782 ( 1.375 5.915 0.000) 6.072 17.907 ( -1.389 -5.416 0.000) 5.592 18.013 ( -7.511 6.341 0.000) 9.830 18.046 ( 2.518 0.905 0.000) 2.676 18.104 ( 3.343 -4.602 0.000) 5.688 18.109 ( -5.145 -2.879 0.000) 5.896 18.306 ( -2.513 -0.402 0.000) 2.545 18.309 ( -2.597 -0.467 0.000) 2.639 18.416 ( 4.748 5.571 0.000) 7.320 18.558 ( 3.338 -7.275 0.000) 8.004 18.604 ( -0.782 2.347 0.000) 2.474 18.647 ( -0.760 -1.442 0.000) 1.630 18.765 ( 0.466 2.503 0.000) 2.546 18.807 ( 2.590 -1.370 0.000) 2.930 18.905 ( -1.647 0.694 0.000) 1.787 18.918 ( -1.231 -0.535 0.000) 1.342 29.050 ( -0.461 5.811 0.000) 5.830 29.058 ( -0.671 4.317 0.000) 4.369 29.102 ( 0.545 0.005 0.000) 0.545 29.154 ( -0.193 -4.575 0.000) 4.579 29.983 ( -5.565 4.538 0.000) 7.181 30.083 ( -3.350 -4.526 0.000) 5.631 30.192 ( -4.672 7.603 0.000) 8.924 30.289 ( 0.882 -2.655 0.000) 2.797 30.335 ( 0.868 6.218 0.000) 6.278 30.417 ( 4.535 0.397 0.000) 4.552 30.456 ( 7.101 -3.317 0.000) 7.837 30.520 ( -6.546 -9.820 0.000) 11.802 30.928 ( 1.927 6.403 0.000) 6.687 31.044 ( 7.735 -4.698 0.000) 9.050 31.066 ( -1.217 4.006 0.000) 4.187 31.141 ( 0.262 -2.393 0.000) 2.407 31.259 ( 7.285 -0.153 0.000) 7.287 31.296 ( 8.564 -3.834 0.000) 9.383 31.337 ( -1.726 6.981 0.000) 7.191 31.488 ( -2.850 -7.395 0.000) 7.925 32.034 ( 2.285 2.068 0.000) 3.082 32.085 ( 2.623 -2.601 0.000) 3.694 32.293 ( -0.154 4.335 0.000) 4.338 32.390 ( -0.629 -4.318 0.000) 4.363 35.721 ( 1.203 25.090 0.000) 25.119 36.087 ( 0.336 -9.043 0.000) 9.049 36.369 ( -10.262 8.981 0.000) 13.637 36.528 ( -4.552 -6.411 0.000) 7.863 37.485 ( -0.961 3.234 0.000) 3.374 37.578 ( 3.073 -5.948 0.000) 6.695 37.629 ( -1.554 8.367 0.000) 8.510 37.905 ( -2.745 -16.878 0.000) 17.100 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.941 13.893 0.000) 14.201 1.706 ( 4.048 -8.648 0.000) 9.549 1.758 ( -3.016 2.068 0.000) 3.657 1.801 ( -3.712 -2.337 0.000) 4.387 2.131 ( -17.280 7.973 0.000) 19.031 2.387 ( -26.899 -14.233 0.000) 30.432 2.500 ( -33.791 5.387 0.000) 34.218 2.568 ( -18.671 0.011 0.000) 18.671 3.201 ( 0.462 10.294 0.000) 10.304 3.246 ( -12.354 8.915 0.000) 15.234 3.337 ( 6.362 -3.710 0.000) 7.365 3.468 ( -2.671 -10.246 0.000) 10.588 3.717 ( 4.806 14.855 0.000) 15.613 3.985 ( -1.801 -7.815 0.000) 8.020 3.987 ( -7.825 9.269 0.000) 12.130 4.105 ( -7.575 1.087 0.000) 7.653 4.150 ( 8.049 3.071 0.000) 8.615 4.196 ( 1.157 -4.824 0.000) 4.961 4.291 ( -6.111 13.198 0.000) 14.544 4.555 ( -2.680 -3.698 0.000) 4.567 4.689 ( -3.474 10.201 0.000) 10.776 4.751 ( -11.741 13.426 0.000) 17.836 4.925 ( 9.530 -8.102 0.000) 12.509 5.194 ( 0.259 -18.847 0.000) 18.848 5.470 ( 2.421 15.548 0.000) 15.735 5.589 ( 2.084 10.916 0.000) 11.113 5.601 ( 4.300 11.044 0.000) 11.851 5.648 ( -1.097 17.189 0.000) 17.224 5.715 ( 3.881 -2.795 0.000) 4.783 5.812 ( -5.822 -8.660 0.000) 10.435 5.848 ( 2.990 -14.016 0.000) 14.331 5.927 ( 6.502 -6.959 0.000) 9.524 6.232 ( 13.231 2.522 0.000) 13.470 6.308 ( 6.507 -1.372 0.000) 6.650 6.432 ( 0.194 2.871 0.000) 2.877 6.488 ( -0.122 -3.172 0.000) 3.174 6.616 ( 3.251 -1.852 0.000) 3.742 6.677 ( 3.740 2.160 0.000) 4.319 6.698 ( 10.120 -8.789 0.000) 13.404 6.785 ( 4.433 -7.689 0.000) 8.875 7.050 ( -4.257 -1.453 0.000) 4.498 7.055 ( -5.087 8.016 0.000) 9.494 7.098 ( -6.966 -8.332 0.000) 10.860 7.232 ( -7.718 -8.108 0.000) 11.194 7.472 ( 5.133 3.428 0.000) 6.173 7.503 ( 2.079 2.698 0.000) 3.406 7.619 ( -2.602 1.261 0.000) 2.892 7.641 ( -0.764 -1.071 0.000) 1.316 7.850 ( 1.062 4.962 0.000) 5.075 8.071 ( 0.282 -10.491 0.000) 10.495 8.091 ( -14.182 14.271 0.000) 20.120 8.337 ( -14.086 -6.885 0.000) 15.678 8.560 ( -0.637 5.693 0.000) 5.729 8.584 ( -1.567 11.926 0.000) 12.029 8.671 ( 1.587 -4.282 0.000) 4.567 8.798 ( -5.293 -7.595 0.000) 9.258 9.402 ( 14.491 3.616 0.000) 14.935 9.501 ( 17.954 -5.445 0.000) 18.762 9.662 ( 2.585 3.396 0.000) 4.268 9.819 ( 3.874 -11.178 0.000) 11.830 11.953 ( -0.387 2.883 0.000) 2.909 11.992 ( -2.154 2.489 0.000) 3.292 12.037 ( 0.202 -5.083 0.000) 5.087 12.064 ( -1.223 -4.370 0.000) 4.538 12.639 ( 5.356 3.770 0.000) 6.550 12.725 ( 5.017 -4.117 0.000) 6.490 12.729 ( 5.285 2.524 0.000) 5.857 12.770 ( 5.185 -0.727 0.000) 5.235 12.913 ( -4.171 2.561 0.000) 4.894 12.962 ( 0.658 -0.923 0.000) 1.134 12.966 ( -0.867 6.392 0.000) 6.450 13.107 ( -3.549 -6.444 0.000) 7.357 13.250 ( -1.768 3.478 0.000) 3.902 13.259 ( -3.783 4.521 0.000) 5.895 13.351 ( -1.819 -4.459 0.000) 4.816 13.352 ( -1.493 -5.941 0.000) 6.126 16.767 ( 0.227 2.279 0.000) 2.291 16.806 ( -1.601 2.880 0.000) 3.296 16.806 ( 0.849 -1.473 0.000) 1.700 16.848 ( -1.507 -1.141 0.000) 1.890 17.180 ( 3.378 3.663 0.000) 4.983 17.265 ( 2.672 -4.367 0.000) 5.119 17.279 ( -1.741 2.159 0.000) 2.774 17.340 ( -1.091 -3.406 0.000) 3.577 17.822 ( 2.658 3.637 0.000) 4.505 17.882 ( -0.786 -1.607 0.000) 1.789 17.899 ( -3.825 6.218 0.000) 7.300 17.999 ( -5.533 -3.024 0.000) 6.305 18.116 ( 4.012 -0.340 0.000) 4.026 18.158 ( 2.148 -3.967 0.000) 4.511 18.244 ( -3.307 -1.061 0.000) 3.473 18.251 ( -3.202 -1.457 0.000) 3.518 18.490 ( 2.907 5.355 0.000) 6.093 18.578 ( -1.918 3.148 0.000) 3.686 18.612 ( 1.920 -5.763 0.000) 6.075 18.634 ( -0.265 -2.004 0.000) 2.021 18.785 ( 1.498 3.674 0.000) 3.968 18.859 ( 2.394 -3.129 0.000) 3.940 18.862 ( -2.436 1.618 0.000) 2.924 18.901 ( -0.513 -1.911 0.000) 1.979 29.040 ( -0.420 6.127 0.000) 6.141 29.045 ( -0.635 5.217 0.000) 5.256 29.115 ( 0.779 -1.642 0.000) 1.817 29.146 ( -0.642 -4.166 0.000) 4.215 29.921 ( -0.473 6.155 0.000) 6.173 30.070 ( 2.021 -7.760 0.000) 8.019 30.072 ( -6.685 9.271 0.000) 11.430 30.267 ( -4.698 -8.326 0.000) 9.560 30.375 ( 2.818 2.880 0.000) 4.029 30.439 ( 0.183 -4.159 0.000) 4.163 30.460 ( -0.032 2.539 0.000) 2.539 30.527 ( 0.053 -4.068 0.000) 4.068 30.997 ( 4.002 10.799 0.000) 11.517 31.055 ( -0.201 6.793 0.000) 6.796 31.165 ( 2.066 -2.903 0.000) 3.563 31.200 ( 5.787 -7.935 0.000) 9.821 31.324 ( 1.949 4.268 0.000) 4.692 31.378 ( 4.237 0.300 0.000) 4.248 31.426 ( 3.516 -4.832 0.000) 5.976 31.431 ( -2.208 -6.065 0.000) 6.455 32.105 ( 4.919 2.479 0.000) 5.508 32.164 ( 5.455 -2.968 0.000) 6.210 32.274 ( -2.119 3.980 0.000) 4.509 32.359 ( -2.852 -3.660 0.000) 4.640 35.773 ( 4.671 22.911 0.000) 23.382 36.115 ( 3.034 -8.974 0.000) 9.473 36.138 ( -12.752 15.028 0.000) 19.710 36.387 ( -9.181 -8.719 0.000) 12.661 37.490 ( 1.490 5.326 0.000) 5.531 37.588 ( -2.627 7.370 0.000) 7.825 37.648 ( 4.191 -9.586 0.000) 10.462 37.833 ( -4.563 -15.067 0.000) 15.743 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -11.498 12.576 0.000) 17.040 1.599 ( 11.498 12.576 0.000) 17.040 1.745 ( -1.416 -2.548 0.000) 2.914 1.745 ( 1.416 -2.548 0.000) 2.914 2.053 ( -6.929 -2.593 0.000) 7.398 2.053 ( 6.929 -2.593 0.000) 7.398 2.178 ( -10.947 -13.543 0.000) 17.414 2.178 ( 10.947 -13.543 0.000) 17.414 3.192 ( -1.179 15.815 0.000) 15.859 3.192 ( 1.179 15.815 0.000) 15.859 3.443 ( -3.397 -8.411 0.000) 9.071 3.443 ( 3.397 -8.411 0.000) 9.071 3.834 ( -7.324 11.015 0.000) 13.228 3.834 ( 7.324 11.015 0.000) 13.228 3.996 ( -2.991 -1.565 0.000) 3.375 3.996 ( 2.991 -1.565 0.000) 3.375 4.209 ( -2.505 4.944 0.000) 5.542 4.209 ( 2.505 4.944 0.000) 5.542 4.398 ( -13.420 -8.500 0.000) 15.886 4.398 ( 13.420 -8.500 0.000) 15.886 4.635 ( -0.617 20.856 0.000) 20.865 4.635 ( 0.617 20.856 0.000) 20.865 5.104 ( -8.478 -18.983 0.000) 20.790 5.104 ( 8.478 -18.983 0.000) 20.790 5.546 ( -6.036 18.078 0.000) 19.059 5.546 ( 6.036 18.078 0.000) 19.059 5.636 ( -1.876 10.444 0.000) 10.611 5.636 ( 1.876 10.444 0.000) 10.611 5.754 ( -0.924 -3.690 0.000) 3.804 5.754 ( 0.924 -3.690 0.000) 3.804 5.942 ( -4.183 -13.744 0.000) 14.367 5.942 ( 4.183 -13.744 0.000) 14.367 6.398 ( -4.361 7.666 0.000) 8.820 6.398 ( 4.361 7.666 0.000) 8.820 6.452 ( -5.868 1.451 0.000) 6.045 6.452 ( 5.868 1.451 0.000) 6.045 6.689 ( -2.955 2.134 0.000) 3.645 6.689 ( 2.955 2.134 0.000) 3.645 6.877 ( -1.028 -9.986 0.000) 10.038 6.877 ( 1.028 -9.986 0.000) 10.038 6.957 ( -1.972 -2.079 0.000) 2.866 6.957 ( 1.972 -2.079 0.000) 2.866 7.061 ( -6.961 -9.108 0.000) 11.463 7.061 ( 6.961 -9.108 0.000) 11.463 7.544 ( -3.708 5.569 0.000) 6.691 7.544 ( 3.708 5.569 0.000) 6.691 7.587 ( -4.768 -1.003 0.000) 4.873 7.587 ( 4.768 -1.003 0.000) 4.873 7.900 ( -5.337 9.304 0.000) 10.726 7.900 ( 5.337 9.304 0.000) 10.726 8.127 ( -6.744 -7.945 0.000) 10.421 8.127 ( 6.744 -7.945 0.000) 10.421 8.564 ( -0.737 8.174 0.000) 8.207 8.564 ( 0.737 8.174 0.000) 8.207 8.723 ( -3.203 -6.469 0.000) 7.218 8.723 ( 3.203 -6.469 0.000) 7.218 9.620 ( -7.153 5.005 0.000) 8.730 9.620 ( 7.153 5.005 0.000) 8.730 9.771 ( -8.874 -8.957 0.000) 12.609 9.771 ( 8.874 -8.957 0.000) 12.609 11.960 ( -1.060 2.996 0.000) 3.178 11.960 ( 1.060 2.996 0.000) 3.178 12.045 ( -0.671 -5.091 0.000) 5.135 12.045 ( 0.671 -5.091 0.000) 5.135 12.736 ( -3.736 3.692 0.000) 5.253 12.736 ( 3.736 3.692 0.000) 5.253 12.814 ( -3.851 -2.937 0.000) 4.843 12.814 ( 3.851 -2.937 0.000) 4.843 12.903 ( -5.220 5.489 0.000) 7.575 12.903 ( 5.220 5.489 0.000) 7.575 13.021 ( -4.739 -4.982 0.000) 6.877 13.021 ( 4.739 -4.982 0.000) 6.877 13.222 ( -0.328 5.009 0.000) 5.020 13.222 ( 0.328 5.009 0.000) 5.020 13.336 ( -0.150 -5.775 0.000) 5.777 13.336 ( 0.150 -5.775 0.000) 5.777 16.780 ( -1.049 2.639 0.000) 2.839 16.780 ( 1.049 2.639 0.000) 2.839 16.824 ( -1.017 -1.553 0.000) 1.857 16.824 ( 1.017 -1.553 0.000) 1.857 17.238 ( -2.570 3.025 0.000) 3.969 17.238 ( 2.570 3.025 0.000) 3.969 17.310 ( -1.952 -3.645 0.000) 4.134 17.310 ( 1.952 -3.645 0.000) 4.134 17.860 ( -0.927 3.447 0.000) 3.570 17.860 ( 0.927 3.447 0.000) 3.570 17.907 ( -3.771 -0.703 0.000) 3.836 17.907 ( 3.771 -0.703 0.000) 3.836 18.186 ( -3.205 -1.635 0.000) 3.597 18.186 ( 3.205 -1.635 0.000) 3.597 18.195 ( -2.145 -2.238 0.000) 3.100 18.195 ( 2.145 -2.238 0.000) 3.100 18.537 ( -2.222 4.595 0.000) 5.104 18.537 ( 2.222 4.595 0.000) 5.104 18.632 ( -0.337 -4.013 0.000) 4.027 18.632 ( 0.337 -4.013 0.000) 4.027 18.819 ( -1.994 3.216 0.000) 3.784 18.819 ( 1.994 3.216 0.000) 3.784 18.891 ( -0.860 -3.254 0.000) 3.366 18.891 ( 0.860 -3.254 0.000) 3.366 29.037 ( -0.111 5.927 0.000) 5.928 29.037 ( 0.111 5.927 0.000) 5.928 29.131 ( -0.848 -3.194 0.000) 3.305 29.131 ( 0.848 -3.194 0.000) 3.305 29.961 ( -4.311 8.028 0.000) 9.113 29.961 ( 4.311 8.028 0.000) 9.113 30.151 ( -5.889 -9.759 0.000) 11.398 30.151 ( 5.889 -9.759 0.000) 11.398 30.430 ( -2.571 2.755 0.000) 3.768 30.430 ( 2.571 2.755 0.000) 3.768 30.488 ( -3.238 -2.875 0.000) 4.331 30.488 ( 3.238 -2.875 0.000) 4.331 31.046 ( -1.091 9.789 0.000) 9.849 31.046 ( 1.091 9.789 0.000) 9.849 31.211 ( -2.237 -3.995 0.000) 4.579 31.211 ( 2.237 -3.995 0.000) 4.579 31.414 ( -1.721 -1.926 0.000) 2.583 31.414 ( 1.721 -1.926 0.000) 2.583 31.416 ( -2.303 -3.575 0.000) 4.253 31.416 ( 2.303 -3.575 0.000) 4.253 32.205 ( -4.865 3.253 0.000) 5.852 32.205 ( 4.865 3.253 0.000) 5.852 32.277 ( -5.505 -3.238 0.000) 6.387 32.277 ( 5.505 -3.238 0.000) 6.387 35.913 ( -9.822 19.531 0.000) 21.862 35.913 ( 9.822 19.531 0.000) 21.862 36.217 ( -7.520 -8.976 0.000) 11.710 36.217 ( 7.520 -8.976 0.000) 11.710 37.534 ( -2.766 6.307 0.000) 6.887 37.534 ( 2.766 6.307 0.000) 6.887 37.738 ( -4.989 -12.553 0.000) 13.508 37.738 ( 4.989 -12.553 0.000) 13.508 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 0.000 25.983) 25.983 0.670 ( 0.000 0.000 36.800) 36.800 1.073 ( 0.000 0.000 56.739) 56.739 1.286 ( 0.000 0.000 -3.742) 3.742 1.556 ( 0.000 0.000 5.465) 5.465 1.908 ( 0.000 0.000 -4.249) 4.249 2.379 ( 0.000 0.000 -3.492) 3.492 2.459 ( 0.000 0.000 -17.604) 17.604 2.486 ( 0.000 0.000 8.704) 8.704 2.509 ( 0.000 0.000 2.060) 2.060 2.662 ( 0.000 0.000 3.697) 3.697 2.729 ( 0.000 0.000 9.402) 9.402 2.890 ( 0.000 0.000 -9.595) 9.595 3.028 ( 0.000 0.000 -0.892) 0.892 3.326 ( 0.000 0.000 2.168) 2.168 3.532 ( 0.000 0.000 -8.580) 8.580 3.801 ( 0.000 0.000 -21.134) 21.134 3.857 ( 0.000 0.000 10.017) 10.017 4.125 ( 0.000 0.000 -27.297) 27.297 4.584 ( 0.000 0.000 12.723) 12.723 4.736 ( 0.000 0.000 13.852) 13.852 4.771 ( 0.000 0.000 -5.099) 5.099 5.119 ( 0.000 0.000 -6.675) 6.675 5.150 ( 0.000 0.000 17.716) 17.716 5.429 ( 0.000 0.000 3.268) 3.268 5.514 ( 0.000 0.000 -0.375) 0.375 5.557 ( 0.000 0.000 -18.834) 18.834 5.615 ( 0.000 0.000 9.713) 9.713 5.755 ( 0.000 0.000 1.192) 1.192 5.938 ( 0.000 0.000 -8.389) 8.389 5.944 ( 0.000 0.000 0.250) 0.250 6.083 ( 0.000 0.000 8.773) 8.773 6.246 ( 0.000 0.000 3.179) 3.179 6.301 ( 0.000 0.000 5.104) 5.104 6.343 ( 0.000 0.000 -6.588) 6.588 6.521 ( 0.000 0.000 -6.439) 6.439 6.678 ( 0.000 0.000 2.145) 2.145 6.852 ( 0.000 0.000 -0.177) 0.177 6.905 ( 0.000 0.000 2.338) 2.338 6.990 ( 0.000 0.000 -6.925) 6.925 7.116 ( 0.000 0.000 4.903) 4.903 7.122 ( 0.000 0.000 -3.307) 3.307 7.162 ( 0.000 0.000 -0.078) 0.078 7.260 ( 0.000 0.000 -14.329) 14.329 7.300 ( 0.000 0.000 3.034) 3.034 7.465 ( 0.000 0.000 0.085) 0.085 7.667 ( 0.000 0.000 -3.325) 3.325 7.769 ( 0.000 0.000 -6.996) 6.996 7.780 ( 0.000 0.000 11.846) 11.846 7.860 ( 0.000 0.000 2.498) 2.498 8.000 ( 0.000 0.000 14.264) 14.264 8.340 ( 0.000 0.000 -0.616) 0.616 8.429 ( 0.000 0.000 -4.435) 4.435 8.551 ( 0.000 0.000 -3.764) 3.764 9.098 ( 0.000 0.000 -0.086) 0.086 9.287 ( 0.000 0.000 2.114) 2.114 9.385 ( 0.000 0.000 -3.487) 3.487 9.659 ( 0.000 0.000 -1.521) 1.521 9.817 ( 0.000 0.000 12.184) 12.184 10.469 ( 0.000 0.000 -7.028) 7.028 12.064 ( 0.000 0.000 0.336) 0.336 12.109 ( 0.000 0.000 -1.149) 1.149 12.118 ( 0.000 0.000 2.807) 2.807 12.163 ( 0.000 0.000 1.478) 1.478 12.349 ( 0.000 0.000 -1.378) 1.378 12.448 ( 0.000 0.000 -3.968) 3.968 12.701 ( 0.000 0.000 -0.067) 0.067 12.772 ( 0.000 0.000 -2.099) 2.099 12.911 ( 0.000 0.000 1.744) 1.744 12.982 ( 0.000 0.000 -0.327) 0.327 12.984 ( 0.000 0.000 2.861) 2.861 13.096 ( 0.000 0.000 -0.449) 0.449 13.117 ( 0.000 0.000 2.023) 2.023 13.289 ( 0.000 0.000 -2.365) 2.365 13.684 ( 0.000 0.000 1.061) 1.061 13.769 ( 0.000 0.000 -1.069) 1.069 16.686 ( 0.000 0.000 0.217) 0.217 16.729 ( 0.000 0.000 -0.825) 0.825 16.789 ( 0.000 0.000 1.027) 1.027 16.863 ( 0.000 0.000 -0.957) 0.957 17.389 ( 0.000 0.000 -0.625) 0.625 17.442 ( 0.000 0.000 -2.317) 2.317 17.525 ( 0.000 0.000 1.095) 1.095 17.563 ( 0.000 0.000 0.352) 0.352 17.834 ( 0.000 0.000 0.967) 0.967 17.883 ( 0.000 0.000 1.207) 1.207 17.938 ( 0.000 0.000 -2.021) 2.021 17.951 ( 0.000 0.000 2.186) 2.186 17.975 ( 0.000 0.000 -0.751) 0.751 18.183 ( 0.000 0.000 -6.172) 6.172 18.456 ( 0.000 0.000 8.021) 8.021 18.460 ( 0.000 0.000 0.737) 0.737 18.537 ( 0.000 0.000 -0.999) 0.999 18.558 ( 0.000 0.000 2.019) 2.019 18.565 ( 0.000 0.000 2.163) 2.163 18.675 ( 0.000 0.000 -1.146) 1.146 18.680 ( 0.000 0.000 0.524) 0.524 18.710 ( 0.000 0.000 -1.111) 1.111 18.781 ( 0.000 0.000 -1.080) 1.080 18.829 ( 0.000 0.000 -2.537) 2.537 28.567 ( 0.000 0.000 0.140) 0.140 28.591 ( 0.000 0.000 -0.777) 0.777 28.628 ( 0.000 0.000 1.098) 1.098 28.677 ( 0.000 0.000 -0.462) 0.462 29.553 ( 0.000 0.000 0.612) 0.612 29.677 ( 0.000 0.000 -2.742) 2.742 30.163 ( 0.000 0.000 1.222) 1.222 30.287 ( 0.000 0.000 0.978) 0.978 30.290 ( 0.000 0.000 0.994) 0.994 30.372 ( 0.000 0.000 -5.388) 5.388 30.597 ( 0.000 0.000 1.650) 1.650 30.830 ( 0.000 0.000 -6.763) 6.763 30.845 ( 0.000 0.000 0.718) 0.718 30.868 ( 0.000 0.000 2.758) 2.758 31.081 ( 0.000 0.000 7.269) 7.269 31.318 ( 0.000 0.000 4.666) 4.666 31.386 ( 0.000 0.000 10.351) 10.351 31.419 ( 0.000 0.000 -2.238) 2.238 31.549 ( 0.000 0.000 0.567) 0.567 31.594 ( 0.000 0.000 -0.568) 0.568 31.641 ( 0.000 0.000 -4.032) 4.032 31.798 ( 0.000 0.000 0.569) 0.569 31.844 ( 0.000 0.000 -0.577) 0.577 32.274 ( 0.000 0.000 -12.668) 12.668 33.464 ( 0.000 0.000 6.783) 6.783 33.857 ( 0.000 0.000 -4.074) 4.074 36.514 ( 0.000 0.000 4.485) 4.485 36.898 ( 0.000 0.000 -5.562) 5.562 37.654 ( 0.000 0.000 3.977) 3.977 37.915 ( 0.000 0.000 -2.961) 2.961 39.024 ( 0.000 0.000 0.577) 0.577 39.064 ( 0.000 0.000 -0.450) 0.450 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 23.610 0.000 13.838) 27.367 0.813 ( 19.428 0.000 22.552) 29.767 1.340 ( 5.282 0.000 -2.498) 5.843 1.405 ( 25.325 0.000 41.717) 48.802 1.617 ( 5.647 0.000 4.261) 7.074 1.903 ( -0.685 0.000 -4.191) 4.246 2.176 ( -14.852 0.000 -7.223) 16.515 2.380 ( -0.001 0.000 -2.210) 2.210 2.401 ( -10.423 0.000 6.706) 12.394 2.652 ( 3.771 0.000 7.001) 7.952 2.755 ( 2.595 0.000 7.643) 8.071 2.813 ( 14.449 0.000 -5.416) 15.430 2.907 ( 1.318 0.000 -7.749) 7.861 2.992 ( -4.286 0.000 -2.075) 4.762 3.292 ( -1.751 0.000 2.269) 2.866 3.449 ( -5.356 0.000 -3.669) 6.492 3.734 ( -9.703 0.000 1.746) 9.858 3.790 ( -1.969 0.000 -18.374) 18.479 4.282 ( 8.093 0.000 -18.441) 20.138 4.363 ( -17.540 0.000 1.732) 17.626 4.694 ( -9.156 0.000 -1.203) 9.235 4.711 ( -2.230 0.000 13.070) 13.259 4.998 ( -5.386 0.000 0.949) 5.469 5.187 ( -30.535 0.000 -12.154) 32.865 5.270 ( 0.511 0.000 3.779) 3.813 5.290 ( -13.449 0.000 1.807) 13.570 5.376 ( -2.285 0.000 3.878) 4.501 5.600 ( -0.426 0.000 6.115) 6.130 5.753 ( -0.993 0.000 0.564) 1.142 5.858 ( -3.664 0.000 -0.533) 3.703 5.996 ( 0.609 0.000 -2.868) 2.932 6.077 ( 1.725 0.000 7.827) 8.015 6.219 ( -0.722 0.000 0.371) 0.812 6.422 ( -12.921 0.000 -2.482) 13.157 6.436 ( 10.351 0.000 -0.071) 10.351 6.472 ( 12.759 0.000 0.746) 12.781 6.660 ( -19.394 0.000 -2.417) 19.544 6.723 ( 4.977 0.000 0.094) 4.978 6.873 ( 14.129 0.000 -5.862) 15.297 7.007 ( -0.311 0.000 -10.920) 10.924 7.038 ( 0.459 0.000 -0.655) 0.800 7.168 ( 2.439 0.000 3.413) 4.195 7.224 ( 2.189 0.000 -3.969) 4.533 7.465 ( -0.176 0.000 0.158) 0.237 7.537 ( 0.977 0.000 10.477) 10.523 7.674 ( 0.866 0.000 -2.443) 2.592 7.680 ( 3.236 0.000 10.008) 10.518 7.742 ( -0.145 0.000 2.957) 2.961 7.769 ( 0.158 0.000 -6.159) 6.161 7.802 ( 23.023 0.000 -2.532) 23.162 7.956 ( -4.227 0.000 12.680) 13.366 8.306 ( -3.380 0.000 0.620) 3.436 8.463 ( -8.877 0.000 -3.357) 9.491 8.472 ( 3.027 0.000 -3.958) 4.983 8.927 ( -14.820 0.000 5.204) 15.707 9.170 ( -12.023 0.000 -4.852) 12.965 9.365 ( 8.636 0.000 11.189) 14.134 9.762 ( 18.373 0.000 -0.952) 18.398 10.015 ( 11.022 0.000 4.765) 12.008 10.717 ( 9.763 0.000 -18.585) 20.993 12.080 ( 1.493 0.000 0.210) 1.508 12.115 ( -0.198 0.000 2.765) 2.772 12.125 ( 1.466 0.000 -0.947) 1.746 12.155 ( -0.788 0.000 1.697) 1.871 12.334 ( -1.193 0.000 -1.636) 2.024 12.419 ( -2.561 0.000 -3.661) 4.468 12.674 ( -2.473 0.000 -0.363) 2.499 12.743 ( -1.495 0.000 -3.469) 3.778 12.962 ( 4.747 0.000 1.562) 4.997 12.970 ( -1.411 0.000 2.849) 3.179 13.031 ( 4.493 0.000 -0.378) 4.509 13.031 ( -3.058 0.000 -0.021) 3.058 13.222 ( 3.974 0.000 -0.232) 3.980 13.303 ( 1.249 0.000 -1.940) 2.307 13.667 ( -1.630 0.000 0.977) 1.900 13.746 ( -2.283 0.000 -1.005) 2.495 16.657 ( 1.828 0.000 -0.798) 1.995 16.766 ( 0.801 0.000 -1.920) 2.081 16.864 ( 1.925 0.000 -0.071) 1.926 16.918 ( 4.798 0.000 -2.170) 5.265 17.331 ( -3.134 0.000 -0.844) 3.245 17.405 ( -2.275 0.000 -1.409) 2.676 17.509 ( -1.637 0.000 1.108) 1.977 17.563 ( -0.682 0.000 -0.012) 0.682 17.838 ( 0.379 0.000 0.882) 0.960 17.871 ( -0.847 0.000 0.792) 1.160 17.959 ( 1.635 0.000 -1.531) 2.240 17.983 ( 0.757 0.000 -0.742) 1.060 17.988 ( 3.595 0.000 0.944) 3.717 18.178 ( -1.716 0.000 -5.168) 5.445 18.409 ( -5.537 0.000 10.215) 11.620 18.462 ( 0.266 0.000 0.731) 0.778 18.525 ( -1.063 0.000 0.095) 1.067 18.554 ( 0.046 0.000 1.502) 1.503 18.564 ( 0.443 0.000 0.858) 0.966 18.601 ( 0.169 0.000 1.719) 1.727 18.662 ( -1.259 0.000 -1.073) 1.654 18.730 ( -3.824 0.000 -0.063) 3.825 18.761 ( 1.371 0.000 0.241) 1.392 18.822 ( -0.194 0.000 -1.838) 1.848 28.568 ( 0.207 0.000 0.156) 0.259 28.593 ( 0.170 0.000 -0.759) 0.777 28.627 ( -0.037 0.000 1.029) 1.030 28.673 ( -0.471 0.000 -0.428) 0.636 29.557 ( 0.868 0.000 0.293) 0.916 29.695 ( 0.801 0.000 -2.526) 2.650 29.987 ( -6.579 0.000 -3.822) 7.608 30.108 ( -7.012 0.000 -2.947) 7.606 30.430 ( 1.122 0.000 2.608) 2.839 30.553 ( 4.087 0.000 -0.738) 4.153 30.702 ( 4.581 0.000 1.003) 4.689 30.801 ( -1.842 0.000 -1.367) 2.294 30.930 ( 8.766 0.000 -0.098) 8.766 31.082 ( 1.489 0.000 7.307) 7.457 31.255 ( -3.590 0.000 4.548) 5.795 31.316 ( 3.439 0.000 2.087) 4.023 31.452 ( 18.101 0.000 -6.229) 19.142 31.558 ( 0.860 0.000 0.532) 1.011 31.599 ( 0.420 0.000 -0.497) 0.650 31.644 ( 5.494 0.000 -7.726) 9.481 31.691 ( 15.383 0.000 -12.796) 20.010 31.793 ( -0.452 0.000 0.497) 0.672 31.835 ( -0.899 0.000 -0.541) 1.049 32.244 ( -3.016 0.000 -12.137) 12.506 33.856 ( 23.607 0.000 -12.299) 26.619 34.053 ( 24.998 0.000 -10.558) 27.136 35.964 ( -34.129 0.000 25.599) 42.662 36.700 ( -23.937 0.000 -9.466) 25.741 37.819 ( 13.639 0.000 1.605) 13.733 38.071 ( 10.559 0.000 -4.071) 11.317 38.734 ( -18.711 0.000 16.674) 25.063 38.960 ( -6.364 0.000 -0.165) 6.366 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 19.886 0.000 4.322) 20.351 1.263 ( 20.455 0.000 9.149) 22.408 1.460 ( 5.909 0.000 -0.688) 5.949 1.735 ( 5.534 0.000 1.289) 5.682 1.779 ( 1.784 0.000 10.053) 10.211 1.875 ( -2.394 0.000 -4.167) 4.806 2.044 ( 9.278 0.000 13.292) 16.210 2.177 ( -6.006 0.000 9.880) 11.562 2.395 ( 2.643 0.000 1.858) 3.230 2.699 ( 2.114 0.000 9.741) 9.968 2.750 ( -8.607 0.000 3.642) 9.346 2.883 ( 0.939 0.000 2.343) 2.524 2.953 ( 0.598 0.000 -7.775) 7.798 3.110 ( 15.526 0.000 -8.865) 17.879 3.326 ( 5.824 0.000 0.083) 5.825 3.408 ( -8.217 0.000 -0.873) 8.263 3.483 ( -7.949 0.000 -2.478) 8.327 3.694 ( -8.227 0.000 -11.559) 14.188 3.956 ( -20.481 0.000 -4.243) 20.916 4.202 ( -22.330 0.000 -0.702) 22.341 4.544 ( 0.817 0.000 -7.377) 7.422 4.687 ( 0.787 0.000 7.539) 7.580 4.746 ( -12.887 0.000 -5.622) 14.060 4.900 ( -6.516 0.000 -2.970) 7.161 5.062 ( -6.593 0.000 4.961) 8.252 5.147 ( -7.333 0.000 2.200) 7.656 5.477 ( 6.624 0.000 3.185) 7.350 5.644 ( 5.704 0.000 -3.004) 6.447 5.695 ( -4.569 0.000 -0.563) 4.604 5.828 ( 0.736 0.000 -0.490) 0.885 6.008 ( 2.110 0.000 3.007) 3.673 6.010 ( -8.375 0.000 -1.591) 8.524 6.173 ( -4.005 0.000 1.951) 4.455 6.178 ( -15.188 0.000 -3.692) 15.630 6.514 ( 6.285 0.000 8.813) 10.825 6.629 ( 9.027 0.000 -3.025) 9.520 6.741 ( 12.240 0.000 2.690) 12.532 6.857 ( 6.896 0.000 -0.666) 6.928 6.941 ( -5.059 0.000 -12.185) 13.193 6.963 ( -5.928 0.000 6.128) 8.526 7.049 ( 0.779 0.000 -1.281) 1.500 7.136 ( -7.254 0.000 -1.716) 7.455 7.281 ( 7.586 0.000 2.546) 8.002 7.449 ( -1.565 0.000 0.581) 1.669 7.538 ( -1.071 0.000 2.684) 2.890 7.592 ( 0.761 0.000 -4.129) 4.198 7.709 ( 3.034 0.000 -1.087) 3.223 7.786 ( 2.458 0.000 -3.476) 4.257 7.856 ( -5.369 0.000 7.880) 9.535 7.975 ( 13.455 0.000 7.863) 15.584 8.178 ( 13.049 0.000 2.676) 13.321 8.227 ( -14.816 0.000 -2.117) 14.967 8.289 ( 2.399 0.000 1.858) 3.034 8.507 ( -0.199 0.000 -4.745) 4.749 8.709 ( -8.014 0.000 0.244) 8.017 8.815 ( -19.732 0.000 -0.070) 19.732 9.702 ( 20.620 0.000 9.010) 22.502 10.142 ( 1.207 0.000 4.348) 4.513 10.195 ( 23.046 0.000 -3.762) 23.351 10.768 ( -3.795 0.000 -11.663) 12.265 12.112 ( -0.029 0.000 2.624) 2.624 12.117 ( 2.222 0.000 0.008) 2.222 12.136 ( -1.113 0.000 2.114) 2.389 12.153 ( 1.073 0.000 -0.891) 1.395 12.318 ( -0.239 0.000 -2.164) 2.177 12.367 ( -2.526 0.000 -3.141) 4.031 12.637 ( -0.772 0.000 -1.398) 1.597 12.708 ( -2.472 0.000 -4.658) 5.273 12.936 ( -1.572 0.000 2.253) 2.747 12.971 ( -2.943 0.000 2.033) 3.577 13.068 ( 5.563 0.000 1.169) 5.685 13.121 ( 3.800 0.000 -0.192) 3.805 13.280 ( 2.470 0.000 -0.261) 2.483 13.323 ( 0.559 0.000 -1.343) 1.455 13.632 ( -1.445 0.000 0.616) 1.571 13.688 ( -3.443 0.000 -0.758) 3.526 16.727 ( 4.601 0.000 -1.744) 4.920 16.795 ( 2.177 0.000 -1.154) 2.464 16.869 ( -0.924 0.000 0.679) 1.146 16.950 ( -1.695 0.000 -1.496) 2.261 17.308 ( 1.084 0.000 -1.184) 1.605 17.388 ( -0.300 0.000 -2.399) 2.418 17.476 ( -0.956 0.000 0.696) 1.182 17.534 ( -2.072 0.000 -0.359) 2.103 17.846 ( 0.363 0.000 0.723) 0.809 17.858 ( -0.464 0.000 0.647) 0.797 17.988 ( 1.279 0.000 -1.067) 1.666 18.000 ( 0.816 0.000 -0.895) 1.211 18.053 ( 2.389 0.000 -2.106) 3.185 18.127 ( -2.825 0.000 -3.329) 4.366 18.348 ( 0.235 0.000 9.224) 9.227 18.470 ( 0.542 0.000 0.747) 0.923 18.503 ( -1.128 0.000 0.686) 1.320 18.524 ( -4.459 0.000 0.110) 4.461 18.575 ( 0.769 0.000 0.026) 0.770 18.621 ( 0.120 0.000 0.430) 0.446 18.630 ( -1.865 0.000 -0.852) 2.051 18.630 ( -3.054 0.000 2.604) 4.013 18.814 ( 2.533 0.000 -0.839) 2.668 18.834 ( 1.337 0.000 -0.360) 1.385 28.575 ( 0.439 0.000 0.157) 0.466 28.593 ( -0.247 0.000 -0.379) 0.453 28.630 ( 0.474 0.000 0.527) 0.709 28.660 ( -0.797 0.000 -0.307) 0.854 29.591 ( 2.539 0.000 -0.573) 2.603 29.695 ( -1.227 0.000 -3.404) 3.618 29.898 ( -1.674 0.000 -0.631) 1.789 30.004 ( -4.764 0.000 0.791) 4.829 30.459 ( 2.724 0.000 0.730) 2.820 30.576 ( -1.193 0.000 -1.889) 2.235 30.731 ( -0.068 0.000 -0.140) 0.156 30.761 ( -2.052 0.000 -0.899) 2.240 31.118 ( 3.810 0.000 3.604) 5.245 31.129 ( 7.854 0.000 7.487) 10.852 31.203 ( -2.005 0.000 4.537) 4.960 31.315 ( -1.335 0.000 7.741) 7.855 31.579 ( 1.252 0.000 0.405) 1.316 31.606 ( 0.158 0.000 -0.248) 0.294 31.680 ( 6.630 0.000 -2.574) 7.112 31.700 ( 3.274 0.000 -3.832) 5.040 31.785 ( -0.188 0.000 0.247) 0.311 31.813 ( -1.293 0.000 -0.412) 1.357 31.942 ( 8.154 0.000 -13.436) 15.716 32.165 ( -4.873 0.000 -10.890) 11.930 34.250 ( 21.317 0.000 -2.263) 21.437 34.584 ( 21.162 0.000 -8.910) 22.961 35.466 ( -15.272 0.000 10.978) 18.809 36.135 ( -31.937 0.000 -8.936) 33.164 38.054 ( 9.909 0.000 2.038) 10.117 38.240 ( 5.155 0.000 2.397) 5.685 38.509 ( -4.024 0.000 7.564) 8.567 38.797 ( -10.007 0.000 -1.425) 10.108 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -4.791 0.000 0.715) 4.844 1.493 ( 4.791 0.000 0.715) 4.844 1.558 ( -14.580 0.000 8.923) 17.094 1.558 ( 14.580 0.000 8.923) 17.094 1.815 ( -3.383 0.000 -2.975) 4.505 1.815 ( 3.383 0.000 -2.975) 4.505 2.230 ( -4.182 0.000 15.367) 15.926 2.230 ( 4.182 0.000 15.367) 15.926 2.526 ( -10.915 0.000 4.933) 11.977 2.526 ( 10.915 0.000 4.933) 11.977 2.921 ( -25.134 0.000 -5.948) 25.828 2.921 ( 25.134 0.000 -5.948) 25.828 2.937 ( -2.426 0.000 -2.604) 3.559 2.937 ( 2.426 0.000 -2.604) 3.559 3.428 ( -14.629 0.000 -6.834) 16.147 3.428 ( 14.629 0.000 -6.834) 16.147 3.498 ( -10.858 0.000 -4.749) 11.851 3.498 ( 10.858 0.000 -4.749) 11.851 3.816 ( -12.691 0.000 6.463) 14.241 3.816 ( 12.691 0.000 6.463) 14.241 4.596 ( -4.233 0.000 -5.220) 6.721 4.596 ( 4.233 0.000 -5.220) 6.721 4.757 ( -6.355 0.000 0.642) 6.388 4.757 ( 6.355 0.000 0.642) 6.388 5.044 ( -2.961 0.000 3.872) 4.875 5.044 ( 2.961 0.000 3.872) 4.875 5.594 ( -5.643 0.000 0.221) 5.648 5.594 ( 5.643 0.000 0.221) 5.648 5.804 ( -8.679 0.000 -7.454) 11.440 5.804 ( 8.679 0.000 -7.454) 11.440 5.935 ( -7.236 0.000 -0.622) 7.263 5.935 ( 7.236 0.000 -0.622) 7.263 6.082 ( -4.908 0.000 3.975) 6.316 6.082 ( 4.908 0.000 3.975) 6.316 6.732 ( -13.876 0.000 11.143) 17.796 6.732 ( 13.876 0.000 11.143) 17.796 6.785 ( -7.003 0.000 -5.056) 8.637 6.785 ( 7.003 0.000 -5.056) 8.637 6.920 ( -2.801 0.000 -1.260) 3.071 6.920 ( 2.801 0.000 -1.260) 3.071 7.067 ( -1.506 0.000 -2.885) 3.254 7.067 ( 1.506 0.000 -2.885) 3.254 7.398 ( -4.029 0.000 1.145) 4.189 7.398 ( 4.029 0.000 1.145) 4.189 7.559 ( -3.756 0.000 0.383) 3.775 7.559 ( 3.756 0.000 0.383) 3.775 7.771 ( -3.268 0.000 0.371) 3.289 7.771 ( 3.268 0.000 0.371) 3.289 7.938 ( -13.318 0.000 -0.194) 13.319 7.938 ( 13.318 0.000 -0.194) 13.319 8.283 ( -11.463 0.000 -4.126) 12.183 8.283 ( 11.463 0.000 -4.126) 12.183 8.343 ( -10.043 0.000 5.049) 11.241 8.343 ( 10.043 0.000 5.049) 11.241 8.621 ( -1.351 0.000 0.297) 1.383 8.621 ( 1.351 0.000 0.297) 1.383 10.037 ( -12.190 0.000 6.223) 13.686 10.037 ( 12.190 0.000 6.223) 13.686 10.578 ( -15.587 0.000 -6.554) 16.909 10.578 ( 15.587 0.000 -6.554) 16.909 12.118 ( -0.650 0.000 2.412) 2.498 12.118 ( 0.650 0.000 2.412) 2.498 12.153 ( -1.154 0.000 -0.536) 1.272 12.153 ( 1.154 0.000 -0.536) 1.272 12.329 ( -1.312 0.000 -2.652) 2.958 12.329 ( 1.312 0.000 -2.652) 2.958 12.654 ( -2.408 0.000 -3.307) 4.091 12.654 ( 2.408 0.000 -3.307) 4.091 12.929 ( -1.068 0.000 2.597) 2.808 12.929 ( 1.068 0.000 2.597) 2.808 13.145 ( -1.652 0.000 0.512) 1.730 13.145 ( 1.652 0.000 0.512) 1.730 13.317 ( -1.223 0.000 -0.948) 1.547 13.317 ( 1.223 0.000 -0.948) 1.547 13.632 ( -1.727 0.000 -0.150) 1.734 13.632 ( 1.727 0.000 -0.150) 1.734 16.804 ( -2.699 0.000 -0.245) 2.710 16.804 ( 2.699 0.000 -0.245) 2.710 16.883 ( -3.786 0.000 -1.438) 4.050 16.883 ( 3.786 0.000 -1.438) 4.050 17.355 ( -2.853 0.000 -1.269) 3.123 17.355 ( 2.853 0.000 -1.269) 3.123 17.492 ( -2.045 0.000 -0.525) 2.111 17.492 ( 2.045 0.000 -0.525) 2.111 17.852 ( -0.266 0.000 0.642) 0.695 17.852 ( 0.266 0.000 0.642) 0.695 18.005 ( -0.357 0.000 -0.933) 0.999 18.005 ( 0.357 0.000 -0.933) 0.999 18.085 ( -1.540 0.000 -2.949) 3.327 18.085 ( 1.540 0.000 -2.949) 3.327 18.411 ( -5.591 0.000 5.011) 7.508 18.411 ( 5.591 0.000 5.011) 7.508 18.483 ( -0.832 0.000 0.789) 1.146 18.483 ( 0.832 0.000 0.789) 1.146 18.596 ( -1.509 0.000 -0.490) 1.586 18.596 ( 1.509 0.000 -0.490) 1.586 18.614 ( -0.557 0.000 0.959) 1.109 18.614 ( 0.557 0.000 0.959) 1.109 18.846 ( -0.531 0.000 -0.567) 0.777 18.846 ( 0.531 0.000 -0.567) 0.777 28.584 ( -0.533 0.000 0.034) 0.535 28.584 ( 0.533 0.000 0.034) 0.535 28.644 ( -0.849 0.000 -0.036) 0.850 28.644 ( 0.849 0.000 -0.036) 0.850 29.648 ( -3.140 0.000 -2.572) 4.059 29.648 ( 3.140 0.000 -2.572) 4.059 29.922 ( -3.370 0.000 2.328) 4.095 29.922 ( 3.370 0.000 2.328) 4.095 30.526 ( -3.581 0.000 -1.427) 3.855 30.526 ( 3.581 0.000 -1.427) 3.855 30.733 ( -0.709 0.000 -0.471) 0.851 30.733 ( 0.709 0.000 -0.471) 0.851 31.164 ( -2.052 0.000 4.411) 4.865 31.164 ( 2.052 0.000 4.411) 4.865 31.262 ( -4.499 0.000 7.611) 8.842 31.262 ( 4.499 0.000 7.611) 8.842 31.600 ( -0.789 0.000 0.130) 0.799 31.600 ( 0.789 0.000 0.130) 0.799 31.740 ( -0.644 0.000 -3.193) 3.258 31.740 ( 0.644 0.000 -3.193) 3.258 31.791 ( -0.794 0.000 -0.133) 0.805 31.791 ( 0.794 0.000 -0.133) 0.805 32.064 ( -5.493 0.000 -10.425) 11.784 32.064 ( 5.493 0.000 -10.425) 11.784 34.634 ( -14.829 0.000 5.571) 15.841 34.634 ( 14.829 0.000 5.571) 15.841 35.561 ( -23.824 0.000 -9.622) 25.693 35.561 ( 23.824 0.000 -9.622) 25.693 38.207 ( -6.179 0.000 5.998) 8.611 38.207 ( 6.179 0.000 5.998) 8.611 38.597 ( -9.793 0.000 -1.597) 9.923 38.597 ( 9.793 0.000 -1.597) 9.923 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 17.104 26.811) 31.803 0.883 ( 0.000 18.271 25.002) 30.966 1.522 ( 0.000 44.327 22.034) 49.501 1.630 ( 0.000 22.167 3.351) 22.419 1.849 ( 0.000 19.685 4.331) 20.156 2.084 ( 0.000 8.911 -4.410) 9.943 2.271 ( 0.000 -7.139 -4.807) 8.607 2.304 ( 0.000 -5.802 1.445) 5.980 2.509 ( 0.000 6.071 -11.466) 12.974 2.522 ( 0.000 9.333 2.165) 9.581 2.816 ( 0.000 12.679 8.576) 15.307 2.875 ( 0.000 13.179 -1.590) 13.274 2.997 ( 0.000 4.167 -14.440) 15.029 3.269 ( 0.000 17.114 -0.799) 17.133 3.387 ( 0.000 5.810 -3.303) 6.683 3.790 ( 0.000 22.001 5.726) 22.734 3.848 ( 0.000 7.948 -12.284) 14.631 3.935 ( 0.000 9.265 6.105) 11.096 4.211 ( 0.000 7.077 -22.805) 23.878 4.563 ( 0.000 -1.953 11.831) 11.991 4.767 ( 0.000 -1.840 2.781) 3.335 4.802 ( 0.000 3.611 7.750) 8.550 5.079 ( 0.000 -4.317 -7.534) 8.683 5.097 ( 0.000 -2.650 10.766) 11.088 5.271 ( 0.000 -10.925 -0.398) 10.932 5.413 ( 0.000 -3.336 4.993) 6.004 5.534 ( 0.000 -8.525 -9.739) 12.943 5.634 ( 0.000 -1.497 9.331) 9.451 5.796 ( 0.000 3.100 1.601) 3.489 5.892 ( 0.000 -9.604 -10.540) 14.259 6.001 ( 0.000 5.265 2.031) 5.643 6.199 ( 0.000 7.531 -0.387) 7.541 6.199 ( 0.000 -5.254 -5.664) 7.726 6.310 ( 0.000 1.093 1.424) 1.795 6.338 ( 0.000 8.568 4.545) 9.699 6.539 ( 0.000 -4.313 -1.349) 4.519 6.655 ( 0.000 1.229 4.444) 4.611 6.799 ( 0.000 -6.972 2.049) 7.267 6.940 ( 0.000 3.945 -1.913) 4.385 6.981 ( 0.000 1.910 -2.755) 3.352 7.149 ( 0.000 7.617 2.839) 8.129 7.152 ( 0.000 -5.606 -3.169) 6.439 7.194 ( 0.000 -6.973 -12.723) 14.509 7.224 ( 0.000 -6.468 7.553) 9.944 7.364 ( 0.000 13.053 -14.792) 19.727 7.525 ( 0.000 -1.555 -4.118) 4.401 7.629 ( 0.000 -1.861 -4.481) 4.852 7.711 ( 0.000 2.367 5.451) 5.943 7.824 ( 0.000 -0.316 2.737) 2.755 7.957 ( 0.000 6.673 0.363) 6.683 8.068 ( 0.000 2.796 9.125) 9.543 8.354 ( 0.000 -4.397 -5.639) 7.151 8.363 ( 0.000 4.284 4.212) 6.007 8.622 ( 0.000 3.909 -1.031) 4.043 9.066 ( 0.000 -2.963 -0.143) 2.966 9.238 ( 0.000 -11.285 7.619) 13.616 9.270 ( 0.000 -3.857 -6.929) 7.930 9.630 ( 0.000 -2.759 -2.320) 3.605 9.677 ( 0.000 -11.548 12.143) 16.757 10.371 ( 0.000 -7.678 -7.498) 10.732 12.059 ( 0.000 -0.263 -0.411) 0.488 12.092 ( 0.000 -1.656 -1.942) 2.553 12.143 ( 0.000 2.353 3.016) 3.825 12.201 ( 0.000 -0.550 0.582) 0.801 12.377 ( 0.000 2.153 -1.486) 2.616 12.513 ( 0.000 4.769 -7.570) 8.947 12.687 ( 0.000 -0.889 0.415) 0.981 12.774 ( 0.000 -0.025 -2.810) 2.810 12.844 ( 0.000 -8.817 0.404) 8.826 12.868 ( 0.000 -3.551 0.125) 3.553 13.015 ( 0.000 2.418 4.226) 4.869 13.117 ( 0.000 0.972 1.675) 1.936 13.208 ( 0.000 6.428 -1.179) 6.535 13.271 ( 0.000 -1.528 -2.243) 2.714 13.659 ( 0.000 -2.588 1.192) 2.849 13.742 ( 0.000 -2.744 -0.792) 2.856 16.683 ( 0.000 -1.778 1.463) 2.303 16.695 ( 0.000 0.910 -0.041) 0.911 16.785 ( 0.000 -0.125 1.140) 1.146 16.852 ( 0.000 -0.867 -0.973) 1.303 17.253 ( 0.000 -9.610 -0.431) 9.620 17.320 ( 0.000 -5.213 -3.408) 6.228 17.503 ( 0.000 -1.499 0.356) 1.540 17.527 ( 0.000 -2.780 0.552) 2.835 17.812 ( 0.000 -5.551 0.436) 5.568 17.829 ( 0.000 -4.161 -2.138) 4.678 17.969 ( 0.000 8.463 0.925) 8.513 18.039 ( 0.000 4.996 1.079) 5.112 18.111 ( 0.000 5.926 0.006) 5.926 18.213 ( 0.000 1.685 -4.698) 4.991 18.384 ( 0.000 -6.585 1.674) 6.795 18.417 ( 0.000 -4.078 4.051) 5.748 18.477 ( 0.000 -4.202 3.941) 5.761 18.548 ( 0.000 2.344 1.834) 2.976 18.611 ( 0.000 3.352 1.316) 3.601 18.647 ( 0.000 0.719 3.779) 3.847 18.662 ( 0.000 -0.559 -1.495) 1.596 18.720 ( 0.000 0.730 -1.078) 1.302 18.821 ( 0.000 3.105 -0.715) 3.186 18.831 ( 0.000 0.624 -1.940) 2.038 28.628 ( 0.000 5.740 0.177) 5.743 28.652 ( 0.000 5.206 -0.485) 5.229 28.710 ( 0.000 7.624 1.439) 7.759 29.272 ( 0.000 9.026 -24.002) 25.643 29.704 ( 0.000 2.947 -1.479) 3.298 29.715 ( 0.000 13.328 -7.852) 15.469 30.195 ( 0.000 2.779 0.580) 2.839 30.286 ( 0.000 -0.404 1.369) 1.427 30.296 ( 0.000 1.084 1.582) 1.918 30.349 ( 0.000 -2.049 -3.755) 4.278 30.619 ( 0.000 2.182 1.675) 2.751 30.827 ( 0.000 -3.839 0.168) 3.843 30.843 ( 0.000 0.504 -3.646) 3.681 30.845 ( 0.000 0.867 -0.191) 0.888 31.083 ( 0.000 0.371 6.043) 6.054 31.237 ( 0.000 -5.837 7.501) 9.505 31.302 ( 0.000 -2.722 3.458) 4.401 31.313 ( 0.000 -3.471 -0.545) 3.513 31.621 ( 0.000 -2.170 -5.220) 5.653 31.686 ( 0.000 -7.463 -2.561) 7.890 31.787 ( 0.000 13.974 0.678) 13.990 31.925 ( 0.000 11.703 -6.076) 13.186 32.049 ( 0.000 14.783 1.196) 14.831 32.312 ( 0.000 1.551 -6.036) 6.232 34.007 ( 0.000 15.223 -2.400) 15.410 34.321 ( 0.000 57.648 -42.399) 71.561 36.489 ( 0.000 -2.244 3.998) 4.585 36.763 ( 0.000 -9.741 2.363) 10.023 37.593 ( 0.000 -4.304 2.688) 5.075 37.851 ( 0.000 -5.804 -3.158) 6.607 38.579 ( 0.000 -27.182 25.023) 36.946 38.919 ( 0.000 -9.965 -0.278) 9.968 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 9.698 13.628 19.424) 25.634 1.105 ( 19.798 14.213 21.226) 32.319 1.662 ( 5.898 25.586 5.991) 26.932 1.706 ( 10.822 26.698 9.873) 30.453 1.902 ( 4.940 18.697 4.800) 19.925 2.086 ( -0.579 8.883 -4.431) 9.944 2.181 ( -6.236 -4.274 2.011) 7.823 2.211 ( -16.568 6.187 -5.805) 18.614 2.369 ( 3.230 -2.306 -2.681) 4.789 2.661 ( 4.212 4.734 2.525) 6.821 2.818 ( 1.176 11.621 9.750) 15.215 2.926 ( 4.142 6.795 -14.573) 16.604 3.080 ( 7.529 10.059 -4.501) 13.347 3.198 ( -6.903 14.723 -4.169) 16.787 3.429 ( 4.605 11.594 1.149) 12.528 3.635 ( -9.793 17.607 6.973) 21.319 3.811 ( -9.809 7.092 0.570) 12.117 3.918 ( 0.933 13.864 -12.043) 18.388 4.293 ( -14.245 -1.799 1.331) 14.419 4.334 ( -0.409 1.845 -11.355) 11.511 4.701 ( -10.341 1.399 -0.090) 10.436 4.788 ( -1.260 3.473 10.861) 11.472 4.914 ( -12.780 -6.151 -1.223) 14.235 5.113 ( -11.771 -5.015 -3.004) 13.143 5.185 ( 1.285 -7.679 7.181) 10.591 5.291 ( -10.657 -1.861 -2.547) 11.114 5.388 ( -3.141 0.821 0.532) 3.290 5.650 ( -4.989 3.364 0.702) 6.058 5.721 ( -0.769 -2.163 3.458) 4.151 5.930 ( -0.587 -2.049 0.950) 2.334 5.983 ( -0.253 6.322 -1.818) 6.583 6.093 ( -4.531 -2.839 1.375) 5.521 6.164 ( -3.742 -1.956 -1.751) 4.571 6.392 ( -1.868 -1.731 -5.248) 5.833 6.477 ( 10.707 5.310 1.554) 12.052 6.516 ( -3.217 1.879 2.299) 4.378 6.652 ( -6.195 2.109 4.578) 7.986 6.696 ( 8.381 -7.580 -4.250) 12.073 6.828 ( 2.293 6.323 -3.084) 7.399 6.975 ( -2.479 -4.723 -2.029) 5.707 7.086 ( -2.199 -5.683 3.330) 6.945 7.196 ( 0.377 -0.734 -2.051) 2.211 7.311 ( 8.802 8.568 -11.215) 16.633 7.380 ( 1.468 -8.208 -5.410) 9.939 7.558 ( 2.651 -1.921 2.114) 3.897 7.636 ( 9.934 2.931 0.281) 10.361 7.650 ( 2.840 0.270 4.158) 5.043 7.704 ( -5.513 -0.559 -0.022) 5.541 7.798 ( 8.958 -0.059 2.337) 9.257 7.930 ( 3.270 6.747 1.457) 7.638 8.034 ( -2.417 5.828 6.769) 9.254 8.339 ( -2.863 2.678 2.941) 4.901 8.358 ( -2.927 -3.558 -3.828) 5.990 8.568 ( -3.482 4.021 -1.064) 5.424 9.000 ( -9.526 3.476 -0.651) 10.161 9.084 ( -15.548 -8.299 -2.943) 17.869 9.335 ( 11.281 -3.319 10.898) 16.033 9.652 ( 15.701 -10.000 1.143) 18.650 9.915 ( 10.920 -8.278 3.130) 14.056 10.473 ( 7.053 -15.875 -10.211) 20.150 12.052 ( -0.737 -2.153 0.035) 2.276 12.073 ( -1.259 -2.259 -0.256) 2.599 12.162 ( 1.145 2.038 1.198) 2.627 12.197 ( 0.337 1.595 1.485) 2.205 12.377 ( 0.141 3.456 -1.508) 3.773 12.465 ( -3.495 3.556 -4.468) 6.695 12.663 ( -1.987 -0.652 0.030) 2.091 12.732 ( -1.770 -1.130 -3.588) 4.157 12.913 ( 4.033 -3.113 0.602) 5.130 12.941 ( 4.537 -4.974 -1.033) 6.811 13.000 ( -0.767 1.612 3.147) 3.618 13.092 ( -1.102 1.705 0.826) 2.192 13.237 ( 1.680 2.618 -0.344) 3.130 13.286 ( 1.122 -1.509 -1.799) 2.602 13.642 ( -1.582 -2.501 1.081) 3.151 13.718 ( -2.325 -2.736 -0.788) 3.676 16.660 ( 1.169 0.480 -0.585) 1.392 16.745 ( 1.445 -1.566 0.032) 2.131 16.844 ( 3.229 -1.822 -0.150) 3.710 16.864 ( 1.757 -2.286 0.041) 2.884 17.251 ( 0.187 -6.297 -2.163) 6.660 17.333 ( 0.769 -5.206 -3.557) 6.352 17.489 ( -1.286 -1.356 0.424) 1.917 17.518 ( -0.744 -3.124 0.487) 3.249 17.805 ( 0.533 -6.089 1.035) 6.200 17.824 ( 0.277 -4.078 1.032) 4.216 17.976 ( 0.442 5.741 -0.675) 5.798 18.018 ( -2.020 5.570 -0.472) 5.943 18.133 ( 1.067 6.404 -0.305) 6.500 18.208 ( -0.823 1.917 -3.317) 3.918 18.310 ( -4.686 -6.110 3.871) 8.618 18.421 ( -1.994 -6.482 -0.476) 6.798 18.480 ( 0.112 -2.255 3.085) 3.823 18.527 ( -0.045 0.812 4.248) 4.325 18.603 ( -0.105 3.222 1.267) 3.464 18.654 ( 0.911 2.600 0.888) 2.895 18.688 ( 1.223 2.000 -0.908) 2.514 18.763 ( 2.531 0.354 -0.253) 2.568 18.787 ( -2.788 3.895 0.020) 4.790 18.821 ( -0.453 0.491 -1.661) 1.790 28.626 ( -0.135 5.390 0.226) 5.396 28.651 ( -0.205 4.893 -0.267) 4.905 28.722 ( 1.212 8.586 0.858) 8.714 29.075 ( -12.993 18.379 -11.982) 25.498 29.667 ( -0.743 11.009 -0.488) 11.045 29.725 ( 0.611 3.758 -1.028) 3.943 29.972 ( -7.213 -0.949 -1.615) 7.452 30.125 ( -8.095 1.822 -3.019) 8.830 30.420 ( 1.817 -1.036 2.492) 3.253 30.547 ( 6.050 -0.803 -0.836) 6.160 30.682 ( 3.286 -1.287 1.040) 3.679 30.755 ( -1.902 -3.667 -0.166) 4.134 30.888 ( 6.516 -4.260 0.105) 7.785 31.060 ( 2.344 -2.267 4.261) 5.366 31.175 ( 6.194 -5.018 -3.262) 8.613 31.203 ( -1.091 -5.084 4.314) 6.756 31.296 ( 10.136 -3.914 3.855) 11.529 31.489 ( 9.684 -3.136 -0.054) 10.179 31.630 ( 0.823 -4.251 -4.749) 6.426 31.681 ( 0.115 -2.953 -2.338) 3.768 31.815 ( 2.558 12.337 -0.072) 12.600 31.942 ( 1.489 10.037 -5.970) 11.772 32.045 ( -0.109 13.757 1.076) 13.800 32.287 ( -2.556 2.280 -5.675) 6.628 34.101 ( 10.142 15.314 -2.396) 18.523 34.502 ( 15.645 40.662 -34.441) 55.537 36.006 ( -30.338 3.961 19.907) 36.502 36.662 ( -19.313 -3.206 -8.702) 21.425 37.711 ( 11.957 -8.832 3.770) 15.336 37.997 ( 9.995 -6.854 -3.901) 12.732 38.475 ( -7.754 -18.838 19.937) 28.504 38.858 ( -6.089 -9.689 -0.877) 11.477 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 16.103 0.419 8.914) 18.411 1.499 ( 16.907 9.385 16.181) 25.214 1.720 ( -10.158 2.561 -0.365) 10.482 1.796 ( 4.609 25.113 0.734) 25.543 1.951 ( -0.523 2.761 6.902) 7.452 2.008 ( 3.920 10.544 2.692) 11.567 2.091 ( -1.147 10.645 -3.022) 11.125 2.153 ( 4.008 9.243 1.452) 10.179 2.444 ( 4.833 0.263 -5.766) 7.528 2.681 ( -1.783 6.551 7.611) 10.199 2.909 ( 7.597 11.601 10.029) 17.114 2.975 ( -0.970 10.096 -7.602) 12.676 3.084 ( -1.751 8.503 -10.104) 13.322 3.240 ( 7.734 7.793 -3.627) 11.563 3.415 ( -12.081 11.098 4.835) 17.103 3.563 ( 1.633 8.981 1.931) 9.330 3.597 ( -5.709 14.763 -2.152) 15.974 3.853 ( -8.467 13.899 -9.651) 18.921 3.899 ( -16.758 -3.181 0.854) 17.078 4.162 ( -22.592 -2.114 1.662) 22.751 4.551 ( 1.799 1.521 -5.238) 5.743 4.687 ( -7.256 -2.606 -2.678) 8.162 4.790 ( 0.693 8.080 4.935) 9.493 4.977 ( -5.074 3.536 -4.050) 7.393 5.115 ( -3.493 2.314 7.234) 8.360 5.160 ( -6.372 1.502 0.826) 6.599 5.421 ( 5.294 -1.717 -0.177) 5.569 5.603 ( 1.005 -2.233 0.477) 2.495 5.662 ( -3.659 -1.998 -0.984) 4.283 5.904 ( -0.511 2.166 1.430) 2.646 5.950 ( -4.433 -0.955 2.216) 5.047 6.049 ( -2.424 3.710 -0.375) 4.448 6.075 ( -4.543 -6.996 -0.287) 8.347 6.153 ( -11.939 -1.851 -6.042) 13.508 6.609 ( 6.847 2.656 5.570) 9.217 6.659 ( 5.039 2.353 2.843) 6.246 6.731 ( 10.284 0.736 -0.962) 10.355 6.801 ( 2.154 -5.725 -2.891) 6.765 6.877 ( 1.168 -1.525 -5.956) 6.258 6.967 ( -0.291 -1.702 -0.826) 1.914 7.008 ( -2.832 -1.928 3.222) 4.702 7.163 ( -3.888 2.551 0.285) 4.659 7.362 ( 2.006 -2.439 -1.102) 3.344 7.529 ( 2.287 4.805 2.448) 5.857 7.563 ( 3.430 -0.677 -6.036) 6.976 7.568 ( 2.769 2.033 -0.300) 3.448 7.705 ( 0.909 -2.976 -2.608) 4.060 7.742 ( 0.159 3.070 -1.179) 3.293 7.837 ( -3.163 1.761 7.990) 8.771 8.067 ( 2.510 -0.873 3.626) 4.496 8.086 ( 0.396 -0.940 -1.098) 1.499 8.245 ( 1.083 -0.397 0.806) 1.408 8.316 ( 1.564 2.927 5.663) 6.563 8.514 ( -5.588 -1.169 -6.194) 8.424 8.749 ( -10.909 -0.624 2.664) 11.246 8.829 ( -10.763 5.354 -0.000) 12.021 9.659 ( 19.097 -4.184 7.354) 20.887 10.023 ( 11.193 -13.020 -1.308) 17.219 10.068 ( 11.971 -9.423 2.139) 15.384 10.540 ( -1.476 -17.210 -8.160) 19.103 12.039 ( -0.429 -4.268 0.816) 4.366 12.052 ( -0.933 -3.509 0.813) 3.721 12.183 ( 1.289 1.914 -0.045) 2.308 12.212 ( 0.579 2.603 0.662) 2.747 12.384 ( 0.476 5.629 -1.539) 5.855 12.411 ( -1.818 3.813 -2.508) 4.913 12.634 ( -0.510 0.057 -0.705) 0.872 12.697 ( -2.214 -0.767 -3.685) 4.367 12.931 ( -1.286 -1.031 2.116) 2.683 12.957 ( -2.330 -0.162 0.734) 2.448 13.053 ( 5.833 -1.528 1.089) 6.128 13.131 ( 3.940 0.029 -0.235) 3.947 13.255 ( 0.244 -1.575 -0.354) 1.632 13.298 ( -0.237 -2.181 -1.468) 2.640 13.610 ( -1.213 -2.131 0.723) 2.556 13.662 ( -3.198 -2.514 -0.583) 4.109 16.709 ( 3.196 -1.300 -0.992) 3.590 16.771 ( 1.109 -2.144 0.409) 2.448 16.853 ( -0.204 -0.976 -0.289) 1.038 16.899 ( -0.124 -3.186 -0.777) 3.282 17.271 ( 1.983 -3.544 -2.361) 4.697 17.342 ( -0.114 -4.102 -3.693) 5.520 17.467 ( -0.564 -0.825 0.372) 1.066 17.501 ( -1.128 -2.810 -0.029) 3.029 17.832 ( 1.502 -2.778 0.416) 3.185 17.868 ( 4.154 -6.699 0.737) 7.917 17.948 ( -2.435 5.700 -0.335) 6.207 18.004 ( 0.151 0.560 -1.223) 1.354 18.121 ( -2.010 3.504 -0.555) 4.078 18.172 ( -2.973 1.890 -3.776) 5.165 18.263 ( -0.024 -3.554 3.929) 5.297 18.346 ( -4.222 -5.958 1.371) 7.430 18.493 ( 1.257 -1.317 2.326) 2.954 18.541 ( 0.361 -1.434 2.151) 2.610 18.620 ( 1.789 4.367 1.852) 5.069 18.651 ( -1.085 2.649 0.588) 2.922 18.678 ( -1.773 4.155 -1.023) 4.632 18.721 ( -2.986 4.554 1.248) 5.586 18.823 ( 2.554 1.230 -0.997) 3.005 18.836 ( 1.709 0.644 -0.619) 1.928 28.626 ( 0.155 4.811 0.261) 4.821 28.643 ( -0.546 4.475 0.036) 4.508 28.756 ( 2.248 10.622 -0.324) 10.862 28.896 ( -6.141 16.495 -4.154) 18.085 29.682 ( 1.896 9.599 -0.116) 9.785 29.737 ( 0.305 3.815 -1.265) 4.030 29.880 ( -2.290 -1.485 -0.556) 2.786 29.993 ( -6.026 0.015 0.441) 6.042 30.456 ( 2.708 -0.432 0.626) 2.813 30.579 ( -1.526 0.145 -2.178) 2.663 30.710 ( 0.349 -1.992 -0.084) 2.024 30.730 ( -1.004 -3.100 -0.275) 3.270 31.032 ( 6.380 -7.323 2.580) 10.049 31.090 ( 1.728 -4.117 6.307) 7.727 31.165 ( -0.425 -2.082 2.383) 3.193 31.218 ( -0.325 -4.401 4.465) 6.278 31.503 ( 6.769 -4.529 -0.504) 8.160 31.582 ( 0.060 -6.049 -2.059) 6.390 31.689 ( 3.826 -1.529 -2.410) 4.773 31.709 ( 3.196 -0.499 -2.114) 3.864 31.871 ( 2.978 12.069 -0.803) 12.456 31.956 ( -0.601 10.407 -3.053) 10.862 32.065 ( 2.552 8.776 -1.428) 9.251 32.219 ( -4.234 3.636 -4.524) 7.184 34.389 ( 18.587 12.372 -0.004) 22.328 34.797 ( 11.028 20.010 -13.242) 26.408 35.557 ( -13.127 8.576 8.198) 17.694 36.165 ( -28.824 3.137 -9.216) 30.424 37.936 ( 10.017 -10.554 3.537) 14.974 38.144 ( 3.067 -8.983 3.796) 10.223 38.378 ( 0.306 -11.240 5.999) 12.745 38.700 ( -9.700 -9.107 -1.897) 13.439 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -10.037 -5.620 7.584) 13.778 1.456 ( 10.037 -5.620 7.584) 13.778 1.770 ( -6.901 15.987 5.972) 18.408 1.770 ( 6.901 15.987 5.972) 18.408 2.019 ( -4.103 9.716 -1.364) 10.634 2.019 ( 4.103 9.716 -1.364) 10.634 2.171 ( -5.828 7.105 7.013) 11.560 2.171 ( 5.828 7.105 7.013) 11.560 2.594 ( -9.447 2.512 -7.512) 12.328 2.594 ( 9.447 2.512 -7.512) 12.328 2.972 ( -6.623 10.247 4.964) 13.172 2.972 ( 6.623 10.247 4.964) 13.172 3.116 ( -10.270 9.328 -5.738) 15.014 3.116 ( 10.270 9.328 -5.738) 15.014 3.451 ( -10.405 3.337 -4.471) 11.806 3.451 ( 10.405 3.337 -4.471) 11.806 3.645 ( -8.190 12.071 -1.252) 14.641 3.645 ( 8.190 12.071 -1.252) 14.641 3.851 ( -9.702 6.082 6.182) 13.013 3.851 ( 9.702 6.082 6.182) 13.013 4.596 ( -2.678 1.189 -2.024) 3.561 4.596 ( 2.678 1.189 -2.024) 3.561 4.859 ( -6.095 7.240 -3.871) 10.225 4.859 ( 6.095 7.240 -3.871) 10.225 5.092 ( -0.876 4.603 5.656) 7.344 5.092 ( 0.876 4.603 5.656) 7.344 5.531 ( -5.796 -3.428 -0.475) 6.750 5.531 ( 5.796 -3.428 -0.475) 6.750 5.764 ( -10.762 -4.164 -2.821) 11.880 5.764 ( 10.762 -4.164 -2.821) 11.880 5.951 ( -4.590 0.793 0.495) 4.685 5.951 ( 4.590 0.793 0.495) 4.685 6.056 ( -1.265 -0.541 -0.137) 1.383 6.056 ( 1.265 -0.541 -0.137) 1.383 6.703 ( -2.215 -0.642 2.253) 3.224 6.703 ( 2.215 -0.642 2.253) 3.224 6.822 ( -2.835 -2.433 0.419) 3.759 6.822 ( 2.835 -2.433 0.419) 3.759 6.901 ( -3.347 -0.901 -2.980) 4.571 6.901 ( 3.347 -0.901 -2.980) 4.571 7.070 ( -4.928 3.173 2.694) 6.451 7.070 ( 4.928 3.173 2.694) 6.451 7.443 ( -5.447 -0.242 -0.352) 5.464 7.443 ( 5.447 -0.242 -0.352) 5.464 7.651 ( -4.457 5.196 -1.270) 6.962 7.651 ( 4.457 5.196 -1.270) 6.962 7.732 ( -6.323 1.663 -0.419) 6.551 7.732 ( 6.323 1.663 -0.419) 6.551 7.855 ( -11.041 -6.629 -0.561) 12.891 7.855 ( 11.041 -6.629 -0.561) 12.891 8.276 ( -12.771 -3.309 -2.878) 13.503 8.276 ( 12.771 -3.309 -2.878) 13.503 8.340 ( -3.960 0.070 6.420) 7.544 8.340 ( 3.960 0.070 6.420) 7.544 8.691 ( -2.954 6.750 0.090) 7.368 8.691 ( 2.954 6.750 0.090) 7.368 9.962 ( -10.530 -7.523 4.254) 13.623 9.962 ( 10.530 -7.523 4.254) 13.623 10.394 ( -13.483 -15.057 -4.353) 20.675 10.394 ( 13.483 -15.057 -4.353) 20.675 12.038 ( -0.384 -4.384 1.123) 4.542 12.038 ( 0.384 -4.384 1.123) 4.542 12.207 ( -0.967 1.965 -0.421) 2.230 12.207 ( 0.967 1.965 -0.421) 2.230 12.392 ( -0.457 5.726 -1.573) 5.956 12.392 ( 0.457 5.726 -1.573) 5.956 12.651 ( -2.078 -0.085 -2.204) 3.031 12.651 ( 2.078 -0.085 -2.204) 3.031 12.921 ( -0.727 -0.482 1.859) 2.053 12.921 ( 0.727 -0.482 1.859) 2.053 13.150 ( -3.020 0.234 0.624) 3.093 13.150 ( 3.020 0.234 0.624) 3.093 13.273 ( -1.974 -4.009 -1.372) 4.674 13.273 ( 1.974 -4.009 -1.372) 4.674 13.612 ( -1.542 -1.995 0.029) 2.521 13.612 ( 1.542 -1.995 0.029) 2.521 16.764 ( -2.054 -3.039 0.340) 3.683 16.764 ( 2.054 -3.039 0.340) 3.683 16.870 ( -1.998 -0.976 -1.269) 2.560 16.870 ( 1.998 -0.976 -1.269) 2.560 17.317 ( -2.274 -3.515 -2.563) 4.909 17.317 ( 2.274 -3.515 -2.563) 4.909 17.476 ( -1.239 -1.470 -0.217) 1.935 17.476 ( 1.239 -1.470 -0.217) 1.935 17.871 ( -2.490 0.995 -0.297) 2.698 17.871 ( 2.490 0.995 -0.297) 2.698 17.981 ( -3.381 -4.162 -0.300) 5.370 17.981 ( 3.381 -4.162 -0.300) 5.370 18.108 ( -1.925 1.638 -2.832) 3.796 18.108 ( 1.925 1.638 -2.832) 3.796 18.287 ( -2.087 -2.885 3.609) 5.070 18.287 ( 2.087 -2.885 3.609) 5.070 18.525 ( -1.754 -1.523 1.543) 2.789 18.525 ( 1.754 -1.523 1.543) 2.789 18.645 ( -1.005 4.375 -0.101) 4.490 18.645 ( 1.005 4.375 -0.101) 4.490 18.668 ( -2.579 4.158 1.942) 5.264 18.668 ( 2.579 4.158 1.942) 5.264 18.853 ( -0.375 1.068 -0.917) 1.457 18.853 ( 0.375 1.068 -0.917) 1.457 28.632 ( -0.487 4.440 0.197) 4.471 28.632 ( 0.487 4.440 0.197) 4.471 28.809 ( -3.354 13.167 -1.722) 13.696 28.809 ( 3.354 13.167 -1.722) 13.696 29.722 ( -1.800 7.250 -1.621) 7.644 29.722 ( 1.800 7.250 -1.621) 7.644 29.895 ( -3.626 -1.714 2.327) 4.637 29.895 ( 3.626 -1.714 2.327) 4.637 30.522 ( -3.739 -0.384 -1.545) 4.064 30.522 ( 3.739 -0.384 -1.545) 4.064 30.715 ( -0.412 -1.937 -0.285) 2.001 30.715 ( 0.412 -1.937 -0.285) 2.001 31.100 ( -1.347 -6.677 3.467) 7.643 31.100 ( 1.347 -6.677 3.467) 7.643 31.191 ( -2.334 -2.839 4.843) 6.080 31.191 ( 2.334 -2.839 4.843) 6.080 31.568 ( -1.266 -4.128 -1.368) 4.530 31.568 ( 1.266 -4.128 -1.368) 4.530 31.739 ( -1.161 -0.953 -1.951) 2.463 31.739 ( 1.161 -0.953 -1.951) 2.463 31.924 ( -2.377 11.937 -1.230) 12.233 31.924 ( 2.377 11.937 -1.230) 12.233 32.135 ( -4.286 5.167 -3.243) 7.455 32.135 ( 4.286 5.167 -3.243) 7.455 34.743 ( -15.156 10.557 3.890) 18.876 34.743 ( 15.156 10.557 3.890) 18.876 35.653 ( -20.938 8.865 -9.619) 24.688 35.653 ( 20.938 8.865 -9.619) 24.688 38.091 ( -6.253 -10.553 6.651) 13.954 38.091 ( 6.253 -10.553 6.651) 13.954 38.504 ( -9.933 -8.708 -2.032) 13.365 38.504 ( 9.933 -8.708 -2.032) 13.365 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 13.372 13.549) 19.036 1.266 ( 0.000 20.610 9.082) 22.522 1.855 ( 0.000 0.518 8.988) 9.002 1.949 ( 0.000 -8.438 -7.599) 11.355 2.012 ( 0.000 2.457 0.301) 2.476 2.257 ( 0.000 5.936 2.651) 6.501 2.472 ( 0.000 40.882 7.997) 41.657 2.657 ( 0.000 24.383 1.491) 24.429 2.741 ( 0.000 15.107 -13.523) 20.276 2.864 ( 0.000 8.124 -30.141) 31.216 3.025 ( 0.000 12.122 -0.006) 12.122 3.169 ( 0.000 20.710 11.566) 23.721 3.215 ( 0.000 21.238 -4.785) 21.771 3.583 ( 0.000 13.435 -2.301) 13.631 3.620 ( 0.000 17.293 3.503) 17.644 4.124 ( 0.000 15.456 20.586) 25.743 4.154 ( 0.000 16.397 -3.936) 16.863 4.348 ( 0.000 6.382 -7.189) 9.613 4.405 ( 0.000 27.272 -5.387) 27.799 4.518 ( 0.000 -1.051 10.528) 10.581 4.640 ( 0.000 -9.844 7.936) 12.644 4.764 ( 0.000 -3.054 -1.501) 3.403 4.929 ( 0.000 -10.554 -9.720) 14.348 5.095 ( 0.000 -0.175 -3.037) 3.042 5.266 ( 0.000 7.665 7.033) 10.403 5.318 ( 0.000 -8.596 -1.949) 8.814 5.320 ( 0.000 -7.121 8.848) 11.358 5.517 ( 0.000 -5.390 6.719) 8.614 5.683 ( 0.000 -10.436 -3.953) 11.160 5.888 ( 0.000 4.819 -2.060) 5.241 6.050 ( 0.000 -9.130 4.912) 10.367 6.108 ( 0.000 4.395 3.582) 5.670 6.329 ( 0.000 4.890 -2.978) 5.726 6.363 ( 0.000 -7.475 -4.730) 8.846 6.395 ( 0.000 2.596 -4.031) 4.795 6.453 ( 0.000 2.049 -0.348) 2.078 6.741 ( 0.000 -1.281 5.841) 5.980 6.780 ( 0.000 3.930 -2.096) 4.454 6.885 ( 0.000 -9.721 0.533) 9.736 6.977 ( 0.000 -5.712 -1.892) 6.017 7.016 ( 0.000 -0.571 -6.885) 6.909 7.020 ( 0.000 -2.750 -1.092) 2.959 7.146 ( 0.000 -0.187 5.689) 5.692 7.273 ( 0.000 0.561 -2.583) 2.644 7.480 ( 0.000 -0.857 -5.762) 5.826 7.496 ( 0.000 -7.064 -4.698) 8.483 7.649 ( 0.000 9.757 -13.685) 16.807 7.720 ( 0.000 -8.893 2.821) 9.330 7.805 ( 0.000 5.416 6.271) 8.286 7.925 ( 0.000 -7.316 5.633) 9.233 8.226 ( 0.000 10.646 -4.159) 11.430 8.280 ( 0.000 -3.353 -7.426) 8.148 8.525 ( 0.000 9.828 8.955) 13.296 8.670 ( 0.000 1.173 1.326) 1.770 8.949 ( 0.000 -12.471 8.240) 14.948 8.992 ( 0.000 -3.748 0.324) 3.762 9.205 ( 0.000 -3.724 0.595) 3.771 9.454 ( 0.000 -8.913 9.679) 13.158 9.553 ( 0.000 -4.759 -3.776) 6.075 10.157 ( 0.000 -13.696 -7.982) 15.852 12.047 ( 0.000 -2.519 -2.105) 3.283 12.058 ( 0.000 0.081 -1.189) 1.191 12.160 ( 0.000 -2.469 3.736) 4.478 12.193 ( 0.000 1.629 3.213) 3.602 12.412 ( 0.000 1.306 -1.963) 2.358 12.611 ( 0.000 4.832 -6.386) 8.008 12.649 ( 0.000 -6.542 -0.496) 6.561 12.727 ( 0.000 2.346 2.593) 3.497 12.737 ( 0.000 -4.360 -3.885) 5.839 12.805 ( 0.000 -1.868 0.061) 1.869 13.065 ( 0.000 2.189 5.189) 5.632 13.165 ( 0.000 3.536 0.049) 3.536 13.235 ( 0.000 -1.828 -2.254) 2.902 13.317 ( 0.000 4.114 -1.463) 4.366 13.573 ( 0.000 -5.764 1.555) 5.970 13.661 ( 0.000 -5.088 -0.365) 5.101 16.682 ( 0.000 1.463 -0.638) 1.596 16.721 ( 0.000 1.521 -0.865) 1.749 16.788 ( 0.000 0.437 2.037) 2.084 16.844 ( 0.000 0.368 -0.484) 0.607 17.089 ( 0.000 -5.766 -0.456) 5.784 17.246 ( 0.000 -2.661 -7.120) 7.601 17.458 ( 0.000 -3.813 1.849) 4.238 17.466 ( 0.000 -2.256 0.051) 2.257 17.709 ( 0.000 -3.720 0.119) 3.722 17.798 ( 0.000 1.103 -5.883) 5.986 18.074 ( 0.000 1.599 -0.995) 1.883 18.099 ( 0.000 0.904 2.105) 2.291 18.191 ( 0.000 0.284 -0.043) 0.287 18.205 ( 0.000 -2.592 -0.634) 2.668 18.290 ( 0.000 -0.548 4.356) 4.390 18.364 ( 0.000 -0.422 1.828) 1.876 18.411 ( 0.000 -2.781 2.927) 4.037 18.605 ( 0.000 2.411 -0.608) 2.487 18.631 ( 0.000 -1.219 1.964) 2.311 18.670 ( 0.000 1.452 0.605) 1.573 18.695 ( 0.000 3.367 1.023) 3.519 18.730 ( 0.000 -0.147 -1.181) 1.190 18.861 ( 0.000 2.026 -0.812) 2.182 18.884 ( 0.000 2.728 -0.707) 2.818 28.778 ( 0.000 8.355 0.091) 8.355 28.784 ( 0.000 7.374 0.714) 7.408 28.883 ( 0.000 8.136 -0.169) 8.137 29.278 ( 0.000 -3.113 -10.063) 10.534 29.810 ( 0.000 7.635 -0.178) 7.637 29.881 ( 0.000 4.696 -4.604) 6.576 30.249 ( 0.000 2.038 -0.490) 2.096 30.276 ( 0.000 -0.399 2.541) 2.572 30.298 ( 0.000 -2.687 -1.106) 2.906 30.324 ( 0.000 1.252 1.411) 1.886 30.676 ( 0.000 3.002 0.925) 3.141 30.690 ( 0.000 -8.726 1.788) 8.907 30.864 ( 0.000 1.256 -3.429) 3.652 30.876 ( 0.000 1.743 -1.616) 2.377 31.097 ( 0.000 1.047 3.693) 3.839 31.178 ( 0.000 -0.075 3.580) 3.581 31.248 ( 0.000 -3.079 -0.889) 3.204 31.284 ( 0.000 0.316 3.626) 3.640 31.424 ( 0.000 -12.414 -5.536) 13.593 31.656 ( 0.000 0.320 -2.988) 3.005 32.024 ( 0.000 7.842 1.149) 7.926 32.028 ( 0.000 1.169 2.118) 2.419 32.310 ( 0.000 -1.519 1.141) 1.899 32.318 ( 0.000 10.112 0.639) 10.132 34.477 ( 0.000 29.921 1.691) 29.969 35.274 ( 0.000 37.036 -32.314) 49.151 36.442 ( 0.000 -1.811 2.768) 3.307 36.610 ( 0.000 -4.898 1.278) 5.062 37.514 ( 0.000 -3.446 -0.778) 3.533 37.710 ( 0.000 -7.300 -3.325) 8.021 38.140 ( 0.000 -17.692 20.511) 27.087 38.645 ( 0.000 -16.210 -1.689) 16.298 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -3.673 8.875 14.653) 17.520 1.439 ( 15.079 18.762 8.385) 25.489 1.846 ( -1.459 -1.176 6.364) 6.634 1.949 ( -4.743 1.087 0.756) 4.924 1.976 ( 2.376 -7.305 -7.115) 10.470 2.268 ( 1.256 6.589 2.960) 7.332 2.482 ( -12.432 21.786 -8.723) 26.558 2.588 ( -2.218 29.651 0.290) 29.735 2.660 ( 0.201 24.409 1.528) 24.458 2.944 ( 0.217 20.276 -0.437) 20.282 2.957 ( 3.558 -2.427 -26.947) 27.289 3.210 ( 2.652 24.139 14.470) 28.268 3.266 ( 3.786 9.878 -5.333) 11.847 3.495 ( -5.981 15.312 -5.689) 17.396 3.729 ( 5.592 15.555 1.950) 16.644 3.971 ( -11.384 9.297 10.011) 17.783 4.071 ( -8.100 20.505 5.937) 22.832 4.198 ( -19.825 -0.734 7.248) 21.121 4.325 ( -7.032 14.239 -1.657) 15.967 4.459 ( 4.535 9.022 -6.908) 12.234 4.676 ( -19.668 -5.485 -1.044) 20.445 4.737 ( -0.148 1.449 0.011) 1.457 4.884 ( 8.519 -3.391 6.541) 11.263 4.996 ( -8.783 -5.121 0.247) 10.170 5.117 ( -2.997 2.198 2.794) 4.650 5.261 ( -1.671 2.087 2.299) 3.527 5.439 ( 3.248 2.769 1.337) 4.473 5.581 ( -3.139 -9.310 -3.730) 10.509 5.683 ( 6.070 -0.667 3.970) 7.283 5.886 ( -8.786 -7.707 4.990) 12.708 5.937 ( 2.634 0.564 -2.053) 3.387 6.140 ( 0.066 4.614 4.195) 6.236 6.269 ( -5.743 7.330 -4.771) 10.463 6.319 ( -7.030 -4.670 -9.339) 12.587 6.464 ( 4.034 -6.930 -6.316) 10.208 6.555 ( 5.760 0.609 1.114) 5.898 6.621 ( -3.245 2.008 3.611) 5.254 6.731 ( -1.603 -5.458 0.513) 5.711 6.870 ( 0.620 4.710 -0.011) 4.751 6.943 ( 0.460 3.780 -0.283) 3.818 6.981 ( -1.082 -6.269 -4.446) 7.761 7.081 ( 4.324 -8.896 4.130) 10.718 7.258 ( 7.050 -0.226 -1.313) 7.175 7.379 ( -4.553 -3.077 -7.149) 9.017 7.445 ( 4.639 -7.318 -4.469) 9.749 7.613 ( 6.825 -2.208 -0.367) 7.183 7.707 ( 2.745 -3.946 2.091) 5.242 7.736 ( 2.514 6.905 0.158) 7.350 7.836 ( 2.148 1.520 0.232) 2.642 7.926 ( 4.194 -4.752 1.898) 6.616 8.197 ( -1.606 5.767 -3.693) 7.033 8.288 ( -3.175 1.156 -4.649) 5.747 8.467 ( -5.354 6.653 8.423) 11.995 8.598 ( -5.756 -0.848 -0.061) 5.819 8.850 ( -6.030 -8.869 7.040) 12.828 9.058 ( -8.517 0.538 -3.367) 9.174 9.243 ( 13.266 -5.107 8.222) 16.422 9.430 ( 11.283 -9.753 4.909) 15.701 9.754 ( 7.752 -7.080 -0.052) 10.499 10.186 ( 3.468 -13.601 -8.890) 16.615 12.001 ( -2.742 -2.462 -0.259) 3.694 12.038 ( -2.376 -1.111 -0.705) 2.716 12.174 ( 1.258 -1.128 1.944) 2.576 12.215 ( 1.263 -0.003 1.895) 2.278 12.447 ( 3.261 3.243 -1.564) 4.857 12.524 ( -3.703 1.388 -3.193) 5.082 12.682 ( -0.784 3.338 -0.031) 3.429 12.700 ( -0.166 -1.382 -2.105) 2.523 12.837 ( 6.855 -4.703 -1.979) 8.545 12.856 ( 4.459 -2.110 -0.068) 4.933 13.031 ( -2.525 1.259 4.263) 5.112 13.134 ( -2.749 3.130 -0.346) 4.180 13.249 ( 0.677 -1.901 -1.440) 2.479 13.303 ( -1.518 2.852 -1.069) 3.403 13.563 ( -0.926 -5.180 1.349) 5.432 13.638 ( -2.171 -4.977 -0.346) 5.441 16.681 ( 0.285 1.571 -0.610) 1.709 16.732 ( 0.665 0.483 0.451) 0.937 16.813 ( 1.856 -1.014 0.235) 2.128 16.847 ( 0.359 0.290 -0.346) 0.577 17.116 ( 2.636 -5.489 -1.143) 6.195 17.249 ( 0.289 -3.007 -6.559) 7.222 17.450 ( -0.917 -3.001 1.119) 3.332 17.461 ( -0.390 -2.236 0.561) 2.338 17.728 ( 1.686 -2.605 -0.160) 3.107 17.764 ( -1.802 -0.081 -1.154) 2.141 18.033 ( -1.939 0.207 -0.259) 1.967 18.099 ( -2.111 1.159 -1.327) 2.750 18.153 ( -2.284 -3.590 1.335) 4.460 18.228 ( -0.459 -0.013 -1.760) 1.819 18.287 ( -0.061 3.268 1.752) 3.709 18.328 ( -2.448 -2.110 1.329) 3.494 18.427 ( 1.194 -2.112 2.979) 3.842 18.560 ( -1.794 1.583 1.580) 2.867 18.646 ( -0.467 1.404 1.944) 2.444 18.679 ( 1.702 -0.416 1.297) 2.180 18.744 ( 2.881 2.580 -1.113) 4.024 18.770 ( 3.389 0.369 -0.529) 3.450 18.841 ( -1.936 2.334 -0.346) 3.052 18.871 ( -0.536 2.997 -0.906) 3.176 28.769 ( -0.770 8.034 0.188) 8.073 28.777 ( -0.663 7.166 0.670) 7.228 28.908 ( 2.368 8.323 -0.752) 8.686 29.223 ( -4.893 0.621 -8.181) 9.553 29.808 ( -0.130 6.270 -0.043) 6.272 29.886 ( 0.089 3.861 -2.824) 4.784 30.020 ( -8.438 7.201 1.503) 11.194 30.179 ( -6.717 3.191 -2.502) 7.846 30.390 ( 2.826 -1.713 2.029) 3.878 30.506 ( 7.121 -3.284 -1.212) 7.935 30.670 ( 0.701 -0.466 0.924) 1.251 30.711 ( -1.585 -0.941 3.790) 4.214 30.758 ( 0.427 -5.775 -0.915) 5.862 31.022 ( 2.012 -1.473 -1.976) 3.182 31.126 ( 2.375 -1.031 -0.903) 2.742 31.168 ( 1.906 0.752 2.839) 3.501 31.251 ( 5.413 -1.456 4.958) 7.484 31.405 ( 3.687 -6.160 -1.663) 7.369 31.476 ( 8.135 -6.231 -3.390) 10.793 31.665 ( 0.818 -0.262 -2.428) 2.575 32.037 ( 1.445 3.214 1.830) 3.971 32.052 ( 2.302 6.113 0.590) 6.559 32.270 ( -2.382 3.408 2.033) 4.628 32.330 ( -0.351 5.610 0.321) 5.630 34.543 ( 6.969 27.924 1.953) 28.847 35.291 ( 1.536 34.205 -28.511) 44.556 36.110 ( -21.987 5.925 10.339) 25.008 36.597 ( -10.516 -2.769 -7.755) 13.356 37.540 ( 5.641 -6.816 3.730) 9.601 37.822 ( 7.763 -9.484 -3.226) 12.673 38.110 ( -2.349 -16.494 16.258) 23.279 38.591 ( -5.360 -15.750 -2.052) 16.763 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 3.741 -2.443 13.609) 14.324 1.668 ( -11.356 5.394 3.594) 13.075 1.746 ( 4.825 2.451 1.416) 5.594 1.913 ( 0.220 -2.612 3.357) 4.259 2.050 ( 7.739 -2.563 -3.549) 8.891 2.194 ( -6.723 9.163 -4.942) 12.393 2.314 ( 2.959 10.843 1.709) 11.369 2.566 ( -2.408 20.007 1.300) 20.193 2.659 ( -2.223 16.660 5.434) 17.664 2.900 ( -2.585 13.465 -3.257) 14.092 3.119 ( 8.498 7.638 -21.772) 24.589 3.233 ( -3.850 16.705 0.609) 17.154 3.280 ( -4.694 1.201 -1.915) 5.210 3.406 ( -0.308 18.341 -3.278) 18.634 3.617 ( -12.634 3.210 -4.011) 13.638 3.782 ( -13.134 10.802 4.277) 17.535 3.929 ( -4.489 13.480 5.391) 15.196 3.971 ( 1.546 14.705 9.328) 17.482 4.147 ( -15.172 10.662 4.045) 18.980 4.203 ( -9.226 8.071 4.100) 12.926 4.653 ( 5.185 9.844 -0.878) 11.160 4.701 ( -2.109 3.847 -1.122) 4.528 4.892 ( -1.160 -3.165 -2.663) 4.296 5.032 ( -1.880 2.583 -5.969) 6.770 5.083 ( 6.245 2.247 13.289) 14.854 5.249 ( -0.197 6.286 4.505) 7.736 5.483 ( 1.334 6.628 -3.245) 7.499 5.534 ( -1.486 -4.882 0.904) 5.182 5.723 ( 1.004 5.119 -0.276) 5.224 5.802 ( -2.304 -6.183 5.419) 8.538 5.935 ( -4.844 -1.535 -4.382) 6.710 6.024 ( -10.245 0.313 -5.110) 11.453 6.137 ( -1.555 3.300 -0.559) 3.691 6.212 ( -5.381 8.539 -1.644) 10.226 6.553 ( 6.927 -5.793 -3.625) 9.730 6.638 ( 1.396 -5.646 2.936) 6.515 6.653 ( 3.479 -4.261 -1.221) 5.635 6.754 ( 2.309 -6.354 -4.665) 8.214 6.876 ( -0.415 6.910 0.137) 6.923 6.945 ( -3.381 -3.483 -3.569) 6.025 7.030 ( 8.338 2.279 2.448) 8.984 7.202 ( 6.867 -4.421 2.696) 8.601 7.249 ( -1.854 -0.055 -2.186) 2.867 7.417 ( 3.416 -9.240 -4.579) 10.863 7.491 ( -0.009 -6.530 -5.294) 8.407 7.651 ( 0.489 0.087 2.440) 2.490 7.682 ( -1.331 4.949 3.857) 6.414 7.771 ( -3.442 -5.594 0.811) 6.618 7.895 ( 4.625 1.129 0.828) 4.832 8.029 ( 0.350 -5.977 -0.555) 6.012 8.078 ( -7.341 0.314 -2.530) 7.771 8.286 ( 1.865 6.432 -2.499) 7.148 8.345 ( -6.084 -5.076 8.691) 11.761 8.444 ( -7.124 3.854 4.598) 9.313 8.777 ( 0.066 1.914 4.516) 4.905 8.926 ( -5.850 2.155 -1.101) 6.331 9.527 ( 14.529 -8.425 3.701) 17.198 9.750 ( 13.819 -10.519 -1.627) 17.443 9.844 ( 6.476 -10.680 3.009) 12.847 10.238 ( -0.463 -12.199 -6.624) 13.890 11.964 ( -0.932 -2.805 0.598) 3.015 11.993 ( -2.020 -2.076 0.360) 2.918 12.193 ( 0.814 -1.256 -0.507) 1.580 12.226 ( -0.234 -1.381 0.201) 1.415 12.496 ( 1.279 3.927 -1.363) 4.350 12.519 ( 2.720 7.182 -1.038) 7.750 12.662 ( -0.799 3.045 0.521) 3.191 12.690 ( -1.105 0.524 -1.835) 2.205 12.908 ( 0.274 -1.011 0.848) 1.347 12.954 ( 2.618 -1.269 -0.989) 3.073 13.018 ( 2.521 -1.459 1.329) 3.202 13.106 ( 2.053 -1.066 -0.592) 2.388 13.230 ( -3.343 -1.850 -1.165) 3.994 13.261 ( -2.599 -0.670 -0.673) 2.767 13.547 ( -0.471 -4.040 0.988) 4.185 13.589 ( -2.549 -4.512 -0.017) 5.182 16.696 ( 1.181 0.346 0.023) 1.231 16.736 ( -0.305 -0.709 1.058) 1.309 16.837 ( 0.789 -0.911 -1.250) 1.737 16.855 ( 0.204 -0.897 -0.536) 1.064 17.177 ( 3.271 -4.695 -2.399) 6.204 17.252 ( -0.295 -3.801 -5.184) 6.435 17.434 ( -0.399 -2.504 0.828) 2.667 17.450 ( -0.680 -1.938 0.607) 2.141 17.756 ( 2.796 -1.730 0.969) 3.427 17.799 ( 4.116 -2.101 0.365) 4.635 17.968 ( -5.250 -4.037 -0.126) 6.624 18.014 ( -6.063 0.776 -1.498) 6.293 18.137 ( 0.076 0.049 -1.241) 1.244 18.190 ( -1.963 2.263 -1.111) 3.195 18.279 ( -1.042 0.312 0.379) 1.152 18.302 ( -0.002 0.381 0.284) 0.476 18.454 ( 1.688 -1.199 3.297) 3.893 18.534 ( -1.509 0.767 2.929) 3.383 18.656 ( 1.128 0.391 1.879) 2.226 18.696 ( 0.506 -0.201 0.995) 1.134 18.761 ( -0.948 2.923 -0.450) 3.105 18.783 ( -1.818 2.469 0.489) 3.105 18.858 ( 3.159 1.905 -1.044) 3.834 18.881 ( 1.267 2.884 -1.217) 3.377 28.755 ( -0.490 7.437 0.312) 7.460 28.762 ( -0.747 6.919 0.532) 6.979 28.966 ( 3.508 8.401 -2.070) 9.336 29.124 ( -4.830 5.563 -5.424) 9.149 29.808 ( 0.328 2.266 1.107) 2.544 29.862 ( -2.108 0.723 1.962) 2.969 29.954 ( 0.349 14.029 -1.137) 14.079 30.064 ( -5.075 7.316 -1.885) 9.101 30.440 ( 2.866 -1.079 0.601) 3.120 30.556 ( -0.444 -3.946 -2.193) 4.537 30.655 ( -2.049 -2.414 0.042) 3.167 30.668 ( -0.950 -1.965 0.192) 2.191 30.854 ( 5.929 -8.090 3.374) 10.582 31.002 ( -2.259 -4.214 1.622) 5.049 31.151 ( 1.189 0.141 -1.065) 1.603 31.186 ( -0.123 0.448 2.202) 2.251 31.429 ( 8.158 -3.036 1.362) 8.811 31.453 ( 2.504 -4.930 -1.816) 5.820 31.628 ( 5.057 -4.325 -1.370) 6.794 31.687 ( 1.606 -1.612 -1.099) 2.527 32.077 ( 2.528 3.111 0.813) 4.090 32.107 ( 2.879 7.599 -0.886) 8.174 32.231 ( -1.340 3.647 3.150) 5.002 32.300 ( -2.585 6.063 0.856) 6.647 34.747 ( 13.938 22.891 2.600) 26.926 35.285 ( -5.259 25.118 -12.421) 28.511 35.789 ( -6.880 13.537 2.223) 15.347 36.264 ( -20.714 6.142 -9.718) 23.691 37.691 ( 8.267 -11.822 5.306) 15.371 37.909 ( -0.683 -12.998 6.390) 14.500 38.116 ( 5.082 -13.510 1.967) 14.568 38.451 ( -8.735 -14.648 -2.682) 17.264 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -13.983 -3.403 7.643) 16.295 1.346 ( 13.983 -3.403 7.643) 16.295 1.856 ( -5.310 -3.539 0.865) 6.439 1.856 ( 5.310 -3.539 0.865) 6.439 2.174 ( -2.363 3.942 -1.926) 4.983 2.174 ( 2.363 3.942 -1.926) 4.983 2.463 ( -11.769 14.884 8.416) 20.758 2.463 ( 11.769 14.884 8.416) 20.758 2.716 ( -13.171 4.733 -6.838) 15.577 2.716 ( 13.171 4.733 -6.838) 15.577 3.144 ( -3.302 9.915 -1.430) 10.548 3.144 ( 3.302 9.915 -1.430) 10.548 3.326 ( -8.368 11.149 -15.143) 20.583 3.326 ( 8.368 11.149 -15.143) 20.583 3.593 ( -6.359 9.113 1.025) 11.159 3.593 ( 6.359 9.113 1.025) 11.159 3.925 ( -4.908 15.670 9.808) 19.127 3.925 ( 4.908 15.670 9.808) 19.127 4.078 ( -5.206 13.017 5.247) 14.969 4.078 ( 5.206 13.017 5.247) 14.969 4.687 ( -0.288 8.063 -0.518) 8.085 4.687 ( 0.288 8.063 -0.518) 8.085 4.947 ( -4.940 0.434 -4.970) 7.021 4.947 ( 4.940 0.434 -4.970) 7.021 5.210 ( -4.472 6.031 9.312) 11.962 5.210 ( 4.472 6.031 9.312) 11.962 5.509 ( -1.648 -0.007 -1.192) 2.034 5.509 ( 1.648 -0.007 -1.192) 2.034 5.750 ( -3.230 5.703 -1.476) 6.718 5.750 ( 3.230 5.703 -1.476) 6.718 5.893 ( -5.215 -2.827 -2.405) 6.401 5.893 ( 5.215 -2.827 -2.405) 6.401 6.141 ( -1.962 5.883 -0.130) 6.202 6.141 ( 1.962 5.883 -0.130) 6.202 6.639 ( -1.834 -6.592 2.525) 7.293 6.639 ( 1.834 -6.592 2.525) 7.293 6.736 ( -4.674 -4.244 -5.118) 8.127 6.736 ( 4.674 -4.244 -5.118) 8.127 6.884 ( -2.143 -0.463 -3.617) 4.230 6.884 ( 2.143 -0.463 -3.617) 4.230 7.181 ( -4.926 5.420 3.625) 8.172 7.181 ( 4.926 5.420 3.625) 8.172 7.365 ( -7.413 -7.549 -3.105) 11.026 7.365 ( 7.413 -7.549 -3.105) 11.026 7.553 ( -7.294 -7.503 -0.233) 10.467 7.553 ( 7.294 -7.503 -0.233) 10.467 7.721 ( -5.114 -2.603 0.204) 5.742 7.721 ( 5.114 -2.603 0.204) 5.742 7.950 ( -5.878 6.399 -1.549) 8.826 7.950 ( 5.878 6.399 -1.549) 8.826 8.119 ( -9.425 -8.452 2.844) 12.975 8.119 ( 9.425 -8.452 2.844) 12.975 8.385 ( -2.565 4.499 7.200) 8.869 8.385 ( 2.565 4.499 7.200) 8.869 8.823 ( -4.277 4.090 -0.778) 5.968 8.823 ( 4.277 4.090 -0.778) 5.968 9.744 ( -7.112 -11.774 0.595) 13.769 9.744 ( 7.112 -11.774 0.595) 13.769 10.116 ( -12.310 -10.796 -1.808) 16.473 10.116 ( 12.310 -10.796 -1.808) 16.473 11.965 ( -0.845 -2.653 0.756) 2.885 11.965 ( 0.845 -2.653 0.756) 2.885 12.211 ( -1.033 -1.714 -1.069) 2.269 12.211 ( 1.033 -1.714 -1.069) 2.269 12.533 ( -1.510 7.477 -0.412) 7.639 12.533 ( 1.510 7.477 -0.412) 7.639 12.664 ( -1.132 1.650 -0.608) 2.092 12.664 ( 1.132 1.650 -0.608) 2.092 12.923 ( -2.186 0.724 0.821) 2.445 12.923 ( 2.186 0.724 0.821) 2.445 13.129 ( -6.372 -3.227 -0.659) 7.173 13.129 ( 6.372 -3.227 -0.659) 7.173 13.191 ( -4.713 -2.584 -0.933) 5.455 13.191 ( 4.713 -2.584 -0.933) 5.455 13.552 ( -1.105 -3.814 0.553) 4.009 13.552 ( 1.105 -3.814 0.553) 4.009 16.720 ( -1.208 -0.797 0.750) 1.629 16.720 ( 1.208 -0.797 0.750) 1.629 16.850 ( -0.561 -0.893 -1.157) 1.565 16.850 ( 0.561 -0.893 -1.157) 1.565 17.230 ( -1.995 -4.210 -3.659) 5.924 17.230 ( 1.995 -4.210 -3.659) 5.924 17.437 ( -0.579 -2.277 0.589) 2.422 17.437 ( 0.579 -2.277 0.589) 2.422 17.848 ( -6.264 -3.917 0.483) 7.404 17.848 ( 6.264 -3.917 0.483) 7.404 17.896 ( -5.794 -0.771 -0.279) 5.852 17.896 ( 5.794 -0.771 -0.279) 5.852 18.151 ( -1.583 2.373 -2.342) 3.691 18.151 ( 1.583 2.373 -2.342) 3.691 18.289 ( -1.210 0.228 0.797) 1.467 18.289 ( 1.210 0.228 0.797) 1.467 18.494 ( -2.363 -0.389 3.437) 4.189 18.494 ( 2.363 -0.389 3.437) 4.189 18.685 ( -1.701 -0.026 0.536) 1.783 18.685 ( 1.701 -0.026 0.536) 1.783 18.755 ( -1.097 3.370 1.158) 3.728 18.755 ( 1.097 3.370 1.158) 3.728 18.894 ( -0.439 2.315 -1.403) 2.742 18.894 ( 0.439 2.315 -1.403) 2.742 28.752 ( -0.202 6.993 0.406) 7.008 28.752 ( 0.202 6.993 0.406) 7.008 29.039 ( -4.058 7.792 -3.620) 9.502 29.039 ( 4.058 7.792 -3.620) 9.502 29.827 ( -1.504 0.495 2.598) 3.043 29.827 ( 1.504 0.495 2.598) 3.043 29.987 ( -2.863 12.280 -1.315) 12.678 29.987 ( 2.863 12.280 -1.315) 12.678 30.507 ( -3.793 -1.337 -1.579) 4.320 30.507 ( 3.793 -1.337 -1.579) 4.320 30.649 ( -0.884 -4.507 0.178) 4.596 30.649 ( 0.884 -4.507 0.178) 4.596 30.946 ( -3.633 -6.780 2.322) 8.034 30.946 ( 3.633 -6.780 2.322) 8.034 31.174 ( -1.063 0.604 0.478) 1.313 31.174 ( 1.063 0.604 0.478) 1.313 31.494 ( -0.816 -2.750 -0.173) 2.874 31.494 ( 0.816 -2.750 -0.173) 2.874 31.692 ( -1.963 -3.615 -0.475) 4.141 31.692 ( 1.963 -3.615 -0.475) 4.141 32.122 ( -1.593 5.443 -0.830) 5.731 32.122 ( 1.593 5.443 -0.830) 5.731 32.244 ( -2.655 5.486 2.515) 6.593 32.244 ( 2.655 5.486 2.515) 6.593 35.050 ( -16.172 19.185 2.106) 25.180 35.050 ( 16.172 19.185 2.106) 25.180 35.898 ( -15.018 13.996 -9.519) 22.629 35.898 ( 15.018 13.996 -9.519) 22.629 37.831 ( -6.063 -13.575 7.396) 16.606 37.831 ( 6.063 -13.575 7.396) 16.606 38.271 ( -9.453 -13.423 -2.755) 16.647 38.271 ( 9.453 -13.423 -2.755) 16.647 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 0.531 5.514) 5.539 1.598 ( 0.000 5.178 -10.536) 11.739 1.782 ( 0.000 -1.900 -2.322) 3.000 1.818 ( 0.000 -1.194 3.147) 3.366 2.328 ( 0.000 3.986 4.554) 6.052 2.338 ( 0.000 24.547 4.595) 24.973 2.762 ( 0.000 -5.597 -24.220) 24.858 3.012 ( 0.000 11.465 -8.638) 14.355 3.147 ( 0.000 19.751 3.827) 20.119 3.151 ( 0.000 21.678 7.332) 22.885 3.408 ( 0.000 14.744 2.082) 14.890 3.565 ( 0.000 20.350 -7.188) 21.582 3.732 ( 0.000 24.081 6.355) 24.905 3.923 ( 0.000 19.992 -3.317) 20.266 3.971 ( 0.000 16.635 6.965) 18.034 4.290 ( 0.000 1.259 0.519) 1.362 4.369 ( 0.000 -6.774 -0.568) 6.797 4.432 ( 0.000 6.352 12.321) 13.862 4.509 ( 0.000 2.676 10.072) 10.422 4.560 ( 0.000 1.676 0.808) 1.861 4.590 ( 0.000 -9.469 -5.781) 11.094 4.868 ( 0.000 11.385 -4.197) 12.134 4.922 ( 0.000 11.204 -4.274) 11.992 4.979 ( 0.000 -8.915 -0.516) 8.930 5.198 ( 0.000 -0.924 10.928) 10.967 5.250 ( 0.000 -0.522 -1.979) 2.047 5.351 ( 0.000 -14.071 -4.713) 14.839 5.473 ( 0.000 11.819 4.508) 12.650 5.581 ( 0.000 4.633 9.974) 10.997 5.911 ( 0.000 -3.578 -1.976) 4.088 5.915 ( 0.000 -4.493 -10.158) 11.107 6.105 ( 0.000 -7.015 -0.752) 7.055 6.124 ( 0.000 -12.691 2.267) 12.891 6.344 ( 0.000 -5.186 2.963) 5.973 6.471 ( 0.000 0.551 1.340) 1.449 6.505 ( 0.000 4.694 -1.884) 5.058 6.609 ( 0.000 -7.594 -7.416) 10.614 6.622 ( 0.000 -8.131 2.770) 8.590 6.816 ( 0.000 -0.421 4.103) 4.124 6.938 ( 0.000 -11.610 -0.950) 11.648 6.973 ( 0.000 -0.665 0.492) 0.827 7.073 ( 0.000 5.014 -2.713) 5.701 7.142 ( 0.000 -0.512 -1.760) 1.833 7.267 ( 0.000 1.109 -3.282) 3.465 7.416 ( 0.000 1.138 -2.259) 2.530 7.442 ( 0.000 0.466 1.808) 1.867 7.484 ( 0.000 -8.742 1.104) 8.811 7.724 ( 0.000 -2.592 -4.775) 5.433 7.824 ( 0.000 -1.476 1.385) 2.024 8.053 ( 0.000 16.303 -2.891) 16.558 8.191 ( 0.000 -5.637 -4.202) 7.031 8.410 ( 0.000 7.108 -7.042) 10.005 8.697 ( 0.000 1.661 1.772) 2.429 8.703 ( 0.000 6.699 5.123) 8.434 8.831 ( 0.000 1.212 11.977) 12.038 8.935 ( 0.000 -1.546 2.449) 2.897 9.105 ( 0.000 -6.208 3.344) 7.051 9.326 ( 0.000 -3.845 3.645) 5.298 9.437 ( 0.000 -6.756 -3.838) 7.770 9.816 ( 0.000 -19.357 -6.286) 20.352 12.003 ( 0.000 -1.449 -0.599) 1.568 12.056 ( 0.000 -0.510 -0.759) 0.914 12.119 ( 0.000 -1.443 3.771) 4.038 12.181 ( 0.000 -2.476 2.537) 3.545 12.444 ( 0.000 1.374 -2.007) 2.432 12.534 ( 0.000 -2.793 -0.345) 2.814 12.626 ( 0.000 -5.811 -5.260) 7.838 12.679 ( 0.000 0.080 -6.012) 6.013 12.809 ( 0.000 3.732 2.881) 4.714 12.851 ( 0.000 8.071 2.395) 8.419 13.097 ( 0.000 0.869 6.119) 6.180 13.199 ( 0.000 -1.996 -3.100) 3.688 13.248 ( 0.000 4.230 -2.234) 4.784 13.365 ( 0.000 -0.230 1.075) 1.100 13.445 ( 0.000 -5.314 0.554) 5.343 13.545 ( 0.000 -6.048 0.141) 6.050 16.731 ( 0.000 2.924 -1.517) 3.294 16.753 ( 0.000 1.559 -1.293) 2.026 16.805 ( 0.000 1.371 1.947) 2.381 16.864 ( 0.000 1.163 -0.177) 1.177 17.033 ( 0.000 0.349 -0.180) 0.393 17.200 ( 0.000 -2.017 -6.401) 6.712 17.381 ( 0.000 -3.563 2.219) 4.198 17.409 ( 0.000 -3.303 -0.311) 3.317 17.685 ( 0.000 1.706 0.618) 1.814 17.857 ( 0.000 3.713 -7.433) 8.309 18.058 ( 0.000 -2.205 -2.400) 3.259 18.078 ( 0.000 -2.237 -1.040) 2.467 18.166 ( 0.000 -0.578 2.241) 2.315 18.168 ( 0.000 -1.225 3.849) 4.039 18.313 ( 0.000 0.989 2.780) 2.950 18.353 ( 0.000 -1.021 0.296) 1.063 18.366 ( 0.000 -1.479 2.958) 3.307 18.610 ( 0.000 -0.156 2.068) 2.074 18.626 ( 0.000 -2.161 -2.337) 3.183 18.675 ( 0.000 -0.777 0.561) 0.958 18.738 ( 0.000 1.613 0.401) 1.662 18.751 ( 0.000 1.997 0.282) 2.017 18.898 ( 0.000 1.401 -0.255) 1.424 18.923 ( 0.000 1.056 -0.718) 1.277 28.932 ( 0.000 6.769 0.747) 6.810 28.942 ( 0.000 7.146 -0.456) 7.161 29.017 ( 0.000 4.869 -1.573) 5.117 29.206 ( 0.000 -3.551 -5.000) 6.132 29.968 ( 0.000 4.499 -1.347) 4.696 30.006 ( 0.000 11.066 -1.717) 11.198 30.246 ( 0.000 -2.432 0.966) 2.617 30.274 ( 0.000 0.511 -1.156) 1.264 30.279 ( 0.000 0.849 3.723) 3.818 30.334 ( 0.000 -0.394 1.470) 1.522 30.503 ( 0.000 -8.960 0.539) 8.976 30.700 ( 0.000 -2.194 -1.959) 2.942 30.895 ( 0.000 1.782 -1.496) 2.327 30.910 ( 0.000 1.779 -2.091) 2.746 31.122 ( 0.000 1.091 1.874) 2.169 31.182 ( 0.000 -0.560 -1.536) 1.635 31.186 ( 0.000 -5.687 -0.793) 5.742 31.202 ( 0.000 -5.189 -2.511) 5.764 31.319 ( 0.000 3.548 6.779) 7.651 31.645 ( 0.000 -1.989 -0.340) 2.018 32.033 ( 0.000 0.107 3.879) 3.881 32.103 ( 0.000 0.646 1.321) 1.471 32.276 ( 0.000 -0.947 2.908) 3.059 32.431 ( 0.000 1.064 -0.651) 1.247 35.141 ( 0.000 33.140 4.445) 33.437 35.877 ( 0.000 21.861 -16.081) 27.139 36.432 ( 0.000 0.951 0.970) 1.358 36.537 ( 0.000 -3.146 -3.458) 4.676 37.457 ( 0.000 -1.813 -2.259) 2.897 37.579 ( 0.000 -5.268 -3.185) 6.156 37.842 ( 0.000 -10.939 14.543) 18.198 38.289 ( 0.000 -18.149 -2.009) 18.260 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -4.067 4.159 4.978) 7.656 1.692 ( 6.950 -1.243 -9.005) 11.442 1.794 ( 0.247 -2.195 -2.046) 3.011 1.814 ( 0.060 0.397 2.266) 2.301 2.208 ( -10.443 19.805 4.195) 22.779 2.362 ( 3.663 5.878 5.424) 8.798 2.786 ( -12.585 2.580 -16.442) 20.866 2.865 ( -2.159 5.958 -15.690) 16.921 3.088 ( -8.083 16.050 5.538) 18.805 3.197 ( 1.551 20.921 0.011) 20.979 3.309 ( -6.981 13.877 6.694) 16.915 3.467 ( -6.973 9.337 -1.939) 11.814 3.693 ( -4.002 19.963 3.724) 20.698 3.862 ( -3.942 20.362 -6.239) 21.658 3.948 ( -10.824 6.398 -3.041) 12.936 4.047 ( -11.616 -1.266 5.966) 13.119 4.276 ( -3.546 9.137 7.522) 12.355 4.316 ( -10.882 -2.327 5.839) 12.567 4.458 ( -1.676 4.153 7.558) 8.785 4.559 ( -14.392 -3.051 -0.626) 14.725 4.701 ( 1.535 2.486 3.636) 4.665 4.734 ( 1.790 -0.602 4.708) 5.072 4.848 ( -1.083 8.590 -3.840) 9.472 5.106 ( 9.751 10.851 -6.669) 16.041 5.214 ( -0.409 6.696 5.509) 8.681 5.344 ( 2.343 -1.449 -1.680) 3.227 5.373 ( 4.271 -6.271 0.095) 7.588 5.464 ( 3.672 3.988 5.608) 7.800 5.696 ( 9.630 2.012 2.290) 10.101 5.776 ( -8.669 -0.264 -1.699) 8.838 5.954 ( -0.094 -3.673 -6.377) 7.360 6.054 ( -2.588 -11.928 -4.215) 12.913 6.215 ( 3.660 -9.447 0.685) 10.155 6.317 ( -2.433 1.243 1.472) 3.104 6.448 ( -1.469 3.473 -4.663) 5.997 6.530 ( -2.611 -2.993 2.175) 4.528 6.555 ( 5.308 -4.493 -1.117) 7.044 6.679 ( -0.003 -4.740 -0.394) 4.756 6.809 ( 2.404 -2.087 1.646) 3.584 6.891 ( -0.629 -8.325 -4.868) 9.664 6.979 ( -0.386 -0.997 5.657) 5.758 7.049 ( -1.969 2.815 -3.682) 5.035 7.241 ( 5.705 -1.066 -2.184) 6.201 7.331 ( 3.143 -2.263 -2.450) 4.583 7.360 ( -3.318 3.609 -2.344) 5.434 7.487 ( 1.161 -10.431 -0.299) 10.499 7.585 ( 10.564 -1.490 2.395) 10.934 7.767 ( 2.877 -3.645 2.711) 5.377 7.841 ( 1.837 -1.679 -1.384) 2.848 8.013 ( -4.507 13.469 -2.610) 14.441 8.192 ( -2.865 -1.885 -2.980) 4.543 8.412 ( 0.108 6.794 -2.199) 7.142 8.555 ( -11.346 2.037 4.035) 12.213 8.621 ( -4.187 2.426 1.016) 4.944 8.764 ( -3.791 -0.496 8.963) 9.744 9.032 ( -8.047 -3.562 -2.037) 9.033 9.159 ( 14.388 -2.116 4.389) 15.191 9.289 ( 9.759 -4.565 6.526) 12.596 9.619 ( 6.658 -6.241 -1.584) 9.262 9.885 ( 7.161 -15.839 -8.189) 19.215 11.966 ( -2.518 -0.730 0.264) 2.635 12.027 ( -2.867 -0.012 -0.409) 2.896 12.128 ( 0.635 -3.197 2.127) 3.892 12.178 ( -0.440 -3.209 1.551) 3.591 12.491 ( 3.077 0.248 -2.209) 3.796 12.542 ( 3.392 2.322 -1.043) 4.241 12.666 ( 2.854 -3.361 -3.332) 5.526 12.743 ( 5.514 -2.538 -5.035) 7.887 12.798 ( -0.892 5.350 2.720) 6.067 12.876 ( 2.441 4.819 1.674) 5.655 13.053 ( -3.670 0.961 4.839) 6.149 13.207 ( 0.072 -2.254 -2.252) 3.187 13.216 ( -3.188 4.128 -1.753) 5.502 13.332 ( -3.280 -0.290 0.669) 3.360 13.447 ( 0.174 -5.416 0.757) 5.472 13.526 ( -1.816 -5.791 0.329) 6.078 16.725 ( -0.356 2.586 -0.732) 2.711 16.758 ( -0.034 1.824 -0.802) 1.993 16.805 ( 0.358 0.279 0.720) 0.851 16.862 ( -0.309 0.810 -0.333) 0.928 17.063 ( 2.824 0.356 -0.430) 2.879 17.207 ( 0.482 -1.282 -5.996) 6.151 17.378 ( -0.206 -3.737 2.194) 4.339 17.410 ( -0.084 -3.017 -0.386) 3.043 17.708 ( 2.402 1.343 0.436) 2.787 17.820 ( -3.299 4.675 -4.246) 7.125 17.993 ( -4.448 -2.962 -0.121) 5.346 18.064 ( -0.566 -2.087 -1.312) 2.529 18.143 ( -2.166 0.095 1.491) 2.631 18.212 ( 2.013 -1.714 0.815) 2.766 18.308 ( -2.066 -0.740 -0.220) 2.206 18.313 ( -1.644 0.088 1.268) 2.078 18.404 ( 2.748 -0.365 3.634) 4.571 18.589 ( -1.046 1.374 1.159) 2.080 18.646 ( 1.157 -2.220 -0.198) 2.511 18.674 ( -0.561 -0.064 1.019) 1.165 18.743 ( 1.247 -0.319 0.682) 1.457 18.800 ( 3.813 1.159 -1.053) 4.122 18.883 ( -1.617 1.505 -0.146) 2.213 18.911 ( -0.578 0.902 -0.763) 1.315 28.921 ( -0.949 6.799 0.318) 6.872 28.932 ( -0.878 7.265 -0.021) 7.318 29.037 ( 1.834 4.310 -1.794) 5.016 29.196 ( -1.031 -2.415 -4.468) 5.183 29.911 ( -4.702 3.292 -0.329) 5.750 29.989 ( -2.056 7.797 -1.127) 8.142 30.128 ( -3.131 2.252 0.887) 3.958 30.243 ( -0.862 2.993 -0.947) 3.255 30.360 ( 2.429 -1.371 1.727) 3.281 30.432 ( 2.488 -3.349 -1.309) 4.373 30.564 ( 7.093 -6.968 1.652) 10.079 30.667 ( -3.336 -3.677 0.398) 4.981 30.799 ( -3.839 5.491 -0.087) 6.700 30.985 ( 0.091 -1.077 -4.163) 4.301 31.110 ( 2.286 -1.001 -0.004) 2.496 31.188 ( 4.335 0.692 0.857) 4.473 31.217 ( 1.634 -2.361 -0.029) 2.871 31.306 ( 5.413 -1.959 0.387) 5.769 31.395 ( 7.680 -2.051 2.155) 8.236 31.640 ( -0.423 -2.646 0.759) 2.785 32.049 ( 1.822 0.250 3.733) 4.161 32.128 ( 2.620 0.635 1.024) 2.884 32.268 ( -0.774 -0.227 2.941) 3.049 32.424 ( -0.926 1.065 -0.600) 1.534 35.170 ( 3.240 31.650 4.284) 32.102 35.866 ( -1.512 21.534 -15.761) 26.728 36.234 ( -13.940 5.792 4.177) 15.662 36.543 ( -4.450 -3.042 -7.028) 8.857 37.449 ( 0.964 -2.146 0.983) 2.550 37.643 ( 4.420 -7.386 -2.103) 8.860 37.823 ( -1.260 -10.981 11.234) 15.760 38.246 ( -4.303 -17.573 -2.267) 18.233 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -1.566 7.929 6.782) 10.551 1.692 ( -11.281 0.735 -2.008) 11.482 1.770 ( -0.686 -6.723 -6.440) 9.335 1.812 ( -2.493 -0.882 -2.158) 3.414 2.114 ( 2.740 4.469 1.321) 5.406 2.310 ( -19.165 4.491 -2.088) 19.794 2.491 ( 5.949 8.197 3.914) 10.858 2.753 ( -20.050 -1.840 9.771) 22.380 2.921 ( -2.012 10.303 -3.348) 11.018 3.135 ( -21.732 3.767 -6.952) 23.126 3.246 ( 4.859 4.020 -8.289) 10.415 3.338 ( 3.737 9.733 1.202) 10.494 3.572 ( -7.935 15.740 -3.756) 18.023 3.696 ( -10.678 3.367 -6.578) 12.986 3.802 ( -1.176 17.603 -5.370) 18.441 3.915 ( -4.388 7.692 -4.681) 10.017 4.190 ( -1.034 8.932 14.406) 16.982 4.257 ( -1.717 10.088 11.232) 15.194 4.266 ( -6.573 3.426 5.639) 9.313 4.419 ( -4.261 10.205 10.718) 15.400 4.717 ( -1.153 -6.432 1.356) 6.674 4.753 ( -0.242 -4.911 -5.699) 7.527 4.924 ( 7.671 13.771 -0.384) 15.768 5.154 ( -2.490 13.235 0.156) 13.468 5.268 ( 4.117 11.241 1.792) 12.105 5.364 ( -1.121 1.999 4.931) 5.437 5.449 ( 3.889 1.408 -0.354) 4.151 5.592 ( -2.396 -7.131 1.951) 7.771 5.639 ( 5.532 4.628 -1.496) 7.366 5.889 ( 8.621 3.484 -1.952) 9.501 5.911 ( -4.051 -3.308 -5.842) 7.841 6.023 ( 0.301 0.936 -7.421) 7.486 6.181 ( -2.697 -0.767 4.456) 5.265 6.382 ( -0.855 4.152 2.316) 4.830 6.419 ( -0.313 -3.128 -4.924) 5.842 6.467 ( 1.522 -5.989 0.446) 6.196 6.641 ( -2.259 -4.184 -4.666) 6.661 6.679 ( 4.054 0.700 0.993) 4.232 6.845 ( 1.791 -9.573 -10.247) 14.136 6.912 ( -1.590 -0.805 -2.225) 2.851 6.999 ( 3.200 -3.676 1.436) 5.081 7.079 ( 6.273 -4.783 0.489) 7.903 7.261 ( -1.043 -3.633 -3.489) 5.144 7.330 ( 0.171 3.439 1.013) 3.590 7.352 ( -1.404 -3.890 -1.058) 4.269 7.562 ( 5.444 -8.316 -0.420) 9.949 7.687 ( -5.695 -0.587 6.633) 8.762 7.787 ( 2.716 -5.995 3.685) 7.543 7.827 ( -4.708 3.950 1.110) 6.245 7.922 ( -2.442 0.093 0.356) 2.470 8.108 ( -2.397 3.465 0.001) 4.214 8.315 ( -9.687 4.265 6.526) 12.434 8.456 ( 1.184 5.478 -0.944) 5.683 8.541 ( -4.640 3.149 4.909) 7.453 8.748 ( 2.506 -4.571 1.909) 5.551 8.901 ( -5.209 -4.088 -0.864) 6.677 9.401 ( 11.666 -2.329 2.153) 12.089 9.600 ( 13.684 -5.355 -1.369) 14.758 9.684 ( 4.814 -5.060 1.176) 7.083 10.003 ( 2.357 -11.562 -6.484) 13.463 11.932 ( -0.772 -0.199 0.693) 1.056 11.972 ( -2.472 0.103 0.366) 2.501 12.134 ( 0.233 -4.231 -0.237) 4.244 12.164 ( -1.027 -4.324 0.231) 4.450 12.559 ( 4.637 2.570 -1.003) 5.396 12.650 ( 5.976 4.465 -1.507) 7.610 12.705 ( 0.233 2.515 -0.944) 2.697 12.778 ( -1.262 6.359 1.433) 6.640 12.841 ( 4.001 -4.806 -2.337) 6.676 12.951 ( 5.539 -0.284 -0.296) 5.554 12.985 ( -3.042 0.265 3.054) 4.319 13.145 ( -3.098 4.105 -1.334) 5.313 13.181 ( -2.953 -2.782 -1.439) 4.305 13.248 ( -4.939 -0.767 0.152) 5.000 13.451 ( 0.253 -5.249 0.943) 5.339 13.487 ( -1.901 -5.356 0.784) 5.737 16.723 ( 0.184 2.083 0.155) 2.097 16.748 ( -0.844 1.693 0.152) 1.898 16.820 ( 0.898 -0.636 -0.833) 1.380 16.851 ( -0.786 -0.049 -0.678) 1.039 17.127 ( 3.415 0.218 -1.157) 3.613 17.209 ( -0.518 -0.290 -4.499) 4.538 17.375 ( 0.019 -3.424 1.577) 3.770 17.401 ( -0.812 -2.974 -0.126) 3.085 17.774 ( 3.405 1.415 -0.123) 3.690 17.780 ( 0.734 2.502 -0.261) 2.621 17.906 ( -4.270 -1.629 0.270) 4.578 18.006 ( -5.591 -1.053 -2.475) 6.204 18.146 ( 2.313 -0.044 -0.018) 2.313 18.219 ( -1.095 0.111 -1.353) 1.744 18.269 ( -1.387 -0.844 1.402) 2.145 18.281 ( -1.467 -2.245 -0.284) 2.697 18.458 ( 2.760 1.084 3.796) 4.817 18.563 ( -2.074 1.813 3.030) 4.095 18.663 ( 0.240 0.164 -0.000) 0.291 18.669 ( 0.772 -1.801 0.312) 1.984 18.768 ( 1.118 -0.767 1.216) 1.821 18.833 ( -2.281 1.799 0.126) 2.908 18.879 ( 2.871 -0.237 -1.655) 3.322 18.915 ( 0.656 0.198 -1.063) 1.265 28.904 ( -0.617 6.981 0.162) 7.010 28.913 ( -0.938 7.328 0.249) 7.392 29.079 ( 2.460 3.011 -2.422) 4.581 29.168 ( -1.853 -0.347 -3.646) 4.104 29.844 ( -1.460 2.514 1.176) 3.136 29.925 ( -4.022 4.986 1.154) 6.509 30.129 ( 2.369 1.562 -2.843) 4.017 30.228 ( -1.115 6.479 -2.569) 7.059 30.418 ( 3.359 -2.079 1.642) 4.278 30.444 ( 0.381 -3.650 -0.417) 3.694 30.581 ( -3.986 -5.101 1.172) 6.579 30.624 ( -2.775 -4.604 0.188) 5.379 30.810 ( 4.531 5.245 0.891) 6.988 30.948 ( -2.596 0.630 -1.048) 2.870 31.158 ( 2.289 0.181 -2.054) 3.081 31.214 ( -0.136 1.634 -1.094) 1.972 31.367 ( 9.147 -3.289 2.162) 9.958 31.397 ( 4.076 -1.135 1.203) 4.399 31.520 ( 3.957 -5.750 0.345) 6.989 31.634 ( -0.381 -3.711 2.493) 4.487 32.104 ( 3.754 0.833 3.120) 4.952 32.198 ( 3.756 1.495 0.112) 4.044 32.248 ( -0.737 0.080 3.092) 3.179 32.387 ( -2.945 1.092 -0.318) 3.157 35.278 ( 8.219 27.565 3.685) 28.999 35.753 ( -11.942 20.383 -5.966) 24.365 36.056 ( -1.132 10.607 -2.082) 10.869 36.368 ( -11.927 2.688 -8.713) 15.013 37.507 ( 4.425 -5.451 4.084) 8.123 37.671 ( -2.216 -8.777 6.431) 11.104 37.854 ( 5.267 -11.934 -0.349) 13.049 38.133 ( -7.070 -16.049 -2.748) 17.751 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -15.922 5.440 2.869) 17.069 1.367 ( 15.922 5.440 2.869) 17.069 1.761 ( -1.304 -4.575 -5.099) 6.973 1.761 ( 1.304 -4.575 -5.099) 6.973 2.159 ( -2.275 -3.526 1.579) 4.483 2.159 ( 2.275 -3.526 1.579) 4.483 2.563 ( -6.087 -8.682 7.886) 13.214 2.563 ( 6.087 -8.682 7.886) 13.214 2.836 ( -2.490 13.305 -1.058) 13.577 2.836 ( 2.490 13.305 -1.058) 13.577 3.412 ( -6.348 10.507 -7.427) 14.347 3.412 ( 6.348 10.507 -7.427) 14.347 3.485 ( -9.671 5.996 -9.014) 14.516 3.485 ( 9.671 5.996 -9.014) 14.516 3.837 ( -3.781 14.348 -4.368) 15.467 3.837 ( 3.781 14.348 -4.368) 15.467 4.191 ( -1.141 8.408 9.242) 12.546 4.191 ( 1.141 8.408 9.242) 12.546 4.319 ( -5.586 11.680 10.911) 16.931 4.319 ( 5.586 11.680 10.911) 16.931 4.725 ( -1.630 -8.787 -0.977) 8.990 4.725 ( 1.630 -8.787 -0.977) 8.990 5.075 ( -6.602 15.405 -1.831) 16.860 5.075 ( 6.602 15.405 -1.831) 16.860 5.315 ( -2.348 4.030 5.377) 7.118 5.315 ( 2.348 4.030 5.377) 7.118 5.516 ( -3.031 2.688 0.605) 4.096 5.516 ( 3.031 2.688 0.605) 4.096 5.802 ( -7.281 -4.050 -3.344) 8.977 5.802 ( 7.281 -4.050 -3.344) 8.977 6.015 ( -3.730 11.681 -4.977) 13.233 6.015 ( 3.730 11.681 -4.977) 13.233 6.217 ( -7.272 0.791 3.466) 8.094 6.217 ( 7.272 0.791 3.466) 8.094 6.492 ( -2.787 -6.146 0.978) 6.818 6.492 ( 2.787 -6.146 0.978) 6.818 6.660 ( -4.672 -2.860 -6.356) 8.391 6.660 ( 4.672 -2.860 -6.356) 8.391 6.869 ( -1.530 -1.264 -7.208) 7.476 6.869 ( 1.530 -1.264 -7.208) 7.476 7.115 ( -5.906 -12.096 -2.730) 13.735 7.115 ( 5.906 -12.096 -2.730) 13.735 7.276 ( -3.831 0.479 -0.298) 3.872 7.276 ( 3.831 0.479 -0.298) 3.872 7.443 ( -10.640 -1.370 4.288) 11.553 7.443 ( 10.640 -1.370 4.288) 11.553 7.716 ( -6.698 -2.220 5.951) 9.231 7.716 ( 6.698 -2.220 5.951) 9.231 7.863 ( -3.836 -3.218 -0.339) 5.018 7.863 ( 3.836 -3.218 -0.339) 5.018 8.148 ( -6.362 5.201 4.569) 9.402 8.148 ( 6.362 5.201 4.569) 9.402 8.484 ( -1.661 3.822 4.025) 5.793 8.484 ( 1.661 3.822 4.025) 5.793 8.816 ( -4.009 -4.327 -1.511) 6.089 8.816 ( 4.009 -4.327 -1.511) 6.089 9.586 ( -6.627 -2.943 -0.724) 7.287 9.586 ( 6.627 -2.943 -0.724) 7.287 9.928 ( -10.234 -8.636 -2.258) 13.580 9.928 ( 10.234 -8.636 -2.258) 13.580 11.937 ( -1.125 0.010 0.698) 1.324 11.937 ( 1.125 0.010 0.698) 1.324 12.144 ( -0.845 -4.509 -0.668) 4.636 12.144 ( 0.845 -4.509 -0.668) 4.636 12.656 ( -4.635 3.751 -0.298) 5.970 12.656 ( 4.635 3.751 -0.298) 5.970 12.740 ( -3.012 6.221 -0.435) 6.925 12.740 ( 3.012 6.221 -0.435) 6.925 12.915 ( -4.144 -2.754 0.766) 5.034 12.915 ( 4.144 -2.754 0.766) 5.034 13.073 ( -6.194 -0.843 -1.981) 6.558 13.073 ( 6.194 -0.843 -1.981) 6.558 13.163 ( -3.184 -0.229 0.140) 3.195 13.163 ( 3.184 -0.229 0.140) 3.195 13.460 ( -0.829 -5.144 1.008) 5.307 13.460 ( 0.829 -5.144 1.008) 5.307 16.732 ( -0.711 1.696 0.392) 1.880 16.732 ( 0.711 1.696 0.392) 1.880 16.836 ( -0.788 -0.620 -0.966) 1.392 16.836 ( 0.788 -0.620 -0.966) 1.392 17.183 ( -2.186 0.009 -2.538) 3.350 17.183 ( 2.186 0.009 -2.538) 3.350 17.383 ( -0.837 -3.094 0.608) 3.263 17.383 ( 0.837 -3.094 0.608) 3.263 17.811 ( -2.504 0.521 0.476) 2.601 17.811 ( 2.504 0.521 0.476) 2.601 17.894 ( -5.056 0.175 -1.198) 5.199 17.894 ( 5.056 0.175 -1.198) 5.199 18.188 ( -1.856 0.820 -2.300) 3.067 18.188 ( 1.856 0.820 -2.300) 3.067 18.261 ( -0.553 -2.517 1.141) 2.818 18.261 ( 0.553 -2.517 1.141) 2.818 18.512 ( -2.877 1.666 3.983) 5.189 18.512 ( 2.877 1.666 3.983) 5.189 18.674 ( -0.442 -0.880 -0.313) 1.033 18.674 ( 0.442 -0.880 -0.313) 1.033 18.792 ( -1.632 0.798 1.240) 2.200 18.792 ( 1.632 0.798 1.240) 2.200 18.917 ( -0.824 -0.407 -1.614) 1.857 18.917 ( 0.824 -0.407 -1.614) 1.857 28.901 ( -0.258 7.209 0.239) 7.218 28.901 ( 0.258 7.209 0.239) 7.218 29.127 ( -2.362 1.428 -3.073) 4.131 29.127 ( 2.362 1.428 -3.073) 4.131 29.857 ( -2.506 3.191 1.910) 4.485 29.857 ( 2.506 3.191 1.910) 4.485 30.187 ( -3.009 3.975 -3.997) 6.390 30.187 ( 3.009 3.975 -3.997) 6.390 30.457 ( -0.609 -2.834 1.435) 3.234 30.457 ( 0.609 -2.834 1.435) 3.234 30.555 ( -2.536 -3.855 0.427) 4.634 30.555 ( 2.536 -3.855 0.427) 4.634 30.892 ( -3.433 2.532 -0.047) 4.266 30.892 ( 3.433 2.532 -0.047) 4.266 31.197 ( -1.618 1.114 -1.568) 2.513 31.197 ( 1.618 1.114 -1.568) 2.513 31.451 ( -0.726 -1.754 1.479) 2.406 31.451 ( 0.726 -1.754 1.479) 2.406 31.594 ( -4.047 -5.722 2.122) 7.323 31.594 ( 4.047 -5.722 2.122) 7.323 32.180 ( -3.582 1.720 2.313) 4.597 32.180 ( 3.582 1.720 2.313) 4.597 32.311 ( -4.765 0.549 0.342) 4.808 32.311 ( 4.765 0.549 0.342) 4.808 35.488 ( -13.281 22.700 1.889) 26.367 35.488 ( 13.281 22.700 1.889) 26.367 36.150 ( -9.274 8.788 -7.965) 15.056 36.150 ( 9.274 8.788 -7.965) 15.056 37.598 ( -4.666 -7.965 6.281) 11.166 37.598 ( 4.666 -7.965 6.281) 11.166 37.987 ( -7.716 -14.000 -2.890) 16.245 37.987 ( 7.716 -14.000 -2.890) 16.245 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 3.075 -1.008) 3.236 1.492 ( 0.000 -7.288 -7.928) 10.769 1.819 ( 0.000 1.077 1.123) 1.556 1.836 ( 0.000 0.658 -0.933) 1.142 2.476 ( 0.000 9.376 -7.412) 11.952 2.640 ( 0.000 -6.024 -19.103) 20.030 2.856 ( 0.000 22.029 4.396) 22.463 3.122 ( 0.000 -2.400 0.835) 2.541 3.377 ( 0.000 2.978 12.394) 12.746 3.384 ( 0.000 2.709 12.038) 12.339 3.705 ( 0.000 17.698 2.756) 17.912 3.939 ( 0.000 8.874 -10.604) 13.827 4.098 ( 0.000 9.097 3.737) 9.835 4.175 ( 0.000 1.039 4.297) 4.421 4.216 ( 0.000 -4.013 0.369) 4.030 4.278 ( 0.000 -0.008 2.377) 2.377 4.285 ( 0.000 4.943 -5.455) 7.361 4.348 ( 0.000 -1.091 -4.298) 4.434 4.509 ( 0.000 4.503 7.385) 8.650 4.543 ( 0.000 0.073 -1.773) 1.775 4.684 ( 0.000 4.046 11.875) 12.546 4.802 ( 0.000 -7.519 7.561) 10.664 5.001 ( 0.000 2.035 -1.855) 2.754 5.047 ( 0.000 2.969 -3.304) 4.442 5.129 ( 0.000 -1.578 -13.115) 13.209 5.187 ( 0.000 -5.853 -12.452) 13.760 5.380 ( 0.000 9.567 4.322) 10.498 5.638 ( 0.000 -17.084 -5.887) 18.070 5.715 ( 0.000 9.515 3.059) 9.995 5.768 ( 0.000 13.804 3.443) 14.227 5.896 ( 0.000 -7.611 8.652) 11.523 5.911 ( 0.000 2.651 -2.870) 3.907 5.984 ( 0.000 -4.251 -0.833) 4.332 6.112 ( 0.000 -13.622 3.608) 14.091 6.457 ( 0.000 -4.424 -3.076) 5.389 6.463 ( 0.000 -6.903 -2.078) 7.209 6.553 ( 0.000 0.016 2.170) 2.170 6.564 ( 0.000 -5.703 2.262) 6.136 6.667 ( 0.000 1.275 5.268) 5.420 6.754 ( 0.000 -4.736 6.839) 8.318 7.030 ( 0.000 5.253 -5.788) 7.817 7.121 ( 0.000 -2.105 -7.499) 7.789 7.157 ( 0.000 2.421 -1.239) 2.720 7.243 ( 0.000 -4.910 -0.843) 4.982 7.464 ( 0.000 6.728 4.595) 8.147 7.512 ( 0.000 4.229 0.303) 4.240 7.538 ( 0.000 6.012 2.078) 6.361 7.674 ( 0.000 -4.135 5.833) 7.149 7.787 ( 0.000 2.260 -4.478) 5.016 7.985 ( 0.000 -11.976 -3.561) 12.495 8.417 ( 0.000 13.586 -7.819) 15.676 8.513 ( 0.000 2.347 -8.337) 8.661 8.750 ( 0.000 3.301 2.794) 4.325 8.779 ( 0.000 0.944 1.862) 2.088 8.925 ( 0.000 3.425 4.897) 5.976 8.926 ( 0.000 0.145 3.336) 3.340 9.009 ( 0.000 2.344 4.582) 5.147 9.254 ( 0.000 -13.013 -0.751) 13.034 9.299 ( 0.000 1.621 0.352) 1.659 9.437 ( 0.000 -14.125 -2.751) 14.390 11.997 ( 0.000 0.866 0.447) 0.975 12.030 ( 0.000 -1.907 0.352) 1.940 12.105 ( 0.000 0.173 3.234) 3.239 12.128 ( 0.000 -2.086 2.617) 3.346 12.456 ( 0.000 1.267 -4.160) 4.348 12.517 ( 0.000 -4.503 -5.332) 6.979 12.556 ( 0.000 3.301 -0.456) 3.332 12.630 ( 0.000 -3.601 -2.373) 4.313 12.941 ( 0.000 7.851 0.890) 7.901 13.003 ( 0.000 5.373 3.378) 6.346 13.095 ( 0.000 -1.196 5.229) 5.364 13.121 ( 0.000 -5.986 -2.827) 6.620 13.319 ( 0.000 2.100 -3.312) 3.922 13.322 ( 0.000 -0.486 3.433) 3.468 13.404 ( 0.000 -0.666 -1.845) 1.962 13.430 ( 0.000 -4.398 1.323) 4.592 16.773 ( 0.000 0.916 -0.258) 0.952 16.776 ( 0.000 0.537 -0.438) 0.693 16.848 ( 0.000 2.423 -0.600) 2.496 16.876 ( 0.000 -0.203 -1.286) 1.302 17.083 ( 0.000 3.676 -0.105) 3.677 17.154 ( 0.000 -2.852 -2.770) 3.976 17.328 ( 0.000 -1.115 0.861) 1.409 17.345 ( 0.000 -2.481 -0.313) 2.500 17.773 ( 0.000 6.274 0.446) 6.290 17.884 ( 0.000 -2.600 -3.276) 4.182 18.019 ( 0.000 -1.201 -1.836) 2.194 18.025 ( 0.000 -2.197 -1.689) 2.771 18.165 ( 0.000 0.881 2.458) 2.611 18.169 ( 0.000 0.404 1.936) 1.978 18.324 ( 0.000 0.174 -0.788) 0.807 18.332 ( 0.000 -0.793 -0.570) 0.977 18.377 ( 0.000 3.727 2.968) 4.764 18.508 ( 0.000 -7.647 -0.795) 7.688 18.630 ( 0.000 1.784 1.648) 2.428 18.664 ( 0.000 -1.145 0.702) 1.343 18.769 ( 0.000 1.063 0.305) 1.106 18.775 ( 0.000 0.419 0.128) 0.439 18.918 ( 0.000 0.727 -0.240) 0.766 18.929 ( 0.000 -0.271 -0.495) 0.564 29.046 ( 0.000 4.037 -0.868) 4.129 29.050 ( 0.000 3.144 -1.471) 3.471 29.082 ( 0.000 1.810 -1.214) 2.179 29.137 ( 0.000 -3.312 -1.877) 3.807 30.073 ( 0.000 5.749 0.765) 5.800 30.175 ( 0.000 -2.175 1.208) 2.488 30.223 ( 0.000 5.015 -1.025) 5.119 30.277 ( 0.000 -0.274 -0.544) 0.609 30.312 ( 0.000 -1.330 0.413) 1.393 30.320 ( 0.000 0.796 -0.321) 0.859 30.376 ( 0.000 1.525 0.383) 1.572 30.560 ( 0.000 -10.383 -4.088) 11.159 30.933 ( 0.000 1.721 0.017) 1.721 30.945 ( 0.000 0.965 -0.105) 0.971 31.095 ( 0.000 -0.922 -1.730) 1.960 31.119 ( 0.000 -1.771 -1.549) 2.353 31.165 ( 0.000 -0.232 0.112) 0.257 31.170 ( 0.000 -0.617 0.463) 0.771 31.427 ( 0.000 6.616 6.188) 9.059 31.562 ( 0.000 -5.965 3.521) 6.927 32.047 ( 0.000 1.410 3.260) 3.552 32.084 ( 0.000 -1.847 2.133) 2.822 32.299 ( 0.000 3.283 0.787) 3.376 32.387 ( 0.000 -4.371 -0.848) 4.453 35.748 ( 0.000 24.959 3.975) 25.273 36.077 ( 0.000 -4.543 -1.481) 4.778 36.466 ( 0.000 1.731 -2.245) 2.834 36.486 ( 0.000 -0.966 -6.479) 6.551 37.456 ( 0.000 1.634 -3.246) 3.634 37.499 ( 0.000 -2.682 -3.134) 4.125 37.742 ( 0.000 2.370 7.302) 7.677 37.939 ( 0.000 -15.193 0.294) 15.196 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 1.613 5.322 -2.152) 5.963 1.537 ( 3.917 -8.073 -7.303) 11.569 1.803 ( -1.653 1.395 0.565) 2.236 1.835 ( -0.596 -0.866 -0.811) 1.328 2.518 ( -0.407 9.998 -3.870) 10.728 2.645 ( -9.585 13.372 -2.773) 16.685 2.710 ( -2.878 -0.045 -9.036) 9.483 2.947 ( -17.170 -5.151 -2.160) 18.056 3.297 ( -10.955 6.432 8.132) 15.083 3.383 ( -2.126 -1.288 9.912) 10.219 3.586 ( -15.800 13.357 -1.075) 20.718 3.675 ( -18.397 8.259 -2.944) 20.379 3.927 ( -14.104 0.854 6.516) 15.560 4.029 ( -11.620 7.111 -2.585) 13.866 4.077 ( -6.330 0.483 -1.826) 6.606 4.125 ( -9.956 -4.238 1.722) 10.956 4.277 ( -0.380 7.523 4.254) 8.651 4.397 ( -2.187 -3.200 5.816) 6.989 4.412 ( -1.595 0.399 6.104) 6.321 4.489 ( -0.252 -0.798 -5.739) 5.800 4.729 ( -4.568 4.746 -2.688) 7.114 4.825 ( 1.424 3.065 7.320) 8.062 5.005 ( 1.186 3.332 2.427) 4.289 5.107 ( 6.307 -10.502 0.959) 12.288 5.313 ( 11.686 4.001 -9.551) 15.614 5.357 ( 14.604 3.118 -10.163) 18.064 5.408 ( 3.825 10.258 2.309) 11.189 5.651 ( -2.892 1.508 -3.412) 4.720 5.708 ( 3.579 -6.970 1.426) 7.964 5.769 ( 1.428 7.759 1.650) 8.060 5.827 ( -5.569 -0.907 -1.705) 5.894 5.944 ( -1.896 -2.627 -0.982) 3.385 6.009 ( 7.416 -3.162 4.244) 9.111 6.202 ( 7.241 -12.155 1.048) 14.187 6.408 ( -2.880 -4.343 -4.256) 6.728 6.472 ( -0.224 -6.819 -5.129) 8.536 6.541 ( -1.894 -2.566 2.159) 3.851 6.570 ( 1.533 -0.738 1.194) 2.078 6.690 ( 2.391 2.725 5.154) 6.301 6.786 ( 4.466 -5.197 7.024) 9.812 7.041 ( -1.170 4.542 -4.542) 6.529 7.076 ( -3.548 0.435 -4.719) 5.920 7.204 ( 1.618 -0.615 0.026) 1.731 7.288 ( 4.492 -7.204 -0.951) 8.542 7.434 ( -2.156 7.303 3.232) 8.273 7.491 ( -1.367 4.838 -0.309) 5.037 7.616 ( 5.735 3.342 3.017) 7.291 7.714 ( 2.000 -5.028 6.799) 8.690 7.807 ( 2.403 4.807 -2.513) 5.932 8.022 ( 2.221 -11.121 -2.789) 11.678 8.352 ( -6.888 13.332 -4.119) 15.561 8.511 ( -2.182 -1.152 -6.421) 6.878 8.599 ( -9.741 4.823 1.483) 10.971 8.679 ( -5.275 0.097 -0.079) 5.276 8.768 ( -10.972 3.781 5.937) 13.035 8.925 ( -7.640 -6.869 -1.632) 10.403 9.161 ( 13.558 1.757 4.030) 14.253 9.215 ( 10.388 -3.205 5.923) 12.380 9.520 ( 9.140 -2.242 -2.002) 9.622 9.594 ( 12.744 -10.394 -4.907) 17.162 11.977 ( -1.439 1.816 0.585) 2.389 12.025 ( -0.774 -1.534 -0.320) 1.748 12.072 ( -2.473 -0.558 2.532) 3.582 12.109 ( -1.826 -3.139 1.746) 4.030 12.507 ( 4.715 2.058 -3.033) 5.972 12.571 ( 5.016 -3.387 -4.166) 7.348 12.611 ( 5.262 2.349 -0.744) 5.810 12.677 ( 4.325 -3.454 -2.052) 5.903 12.935 ( -0.823 7.156 0.556) 7.225 12.992 ( -1.052 4.125 3.220) 5.337 13.065 ( -2.612 0.110 3.150) 4.094 13.124 ( -0.126 -5.482 -1.000) 5.573 13.292 ( -2.555 2.316 -2.578) 4.306 13.319 ( -0.693 0.450 3.221) 3.326 13.370 ( -2.832 -1.829 -1.894) 3.867 13.416 ( -1.588 -4.581 1.173) 4.989 16.768 ( -0.254 1.424 -0.107) 1.451 16.783 ( 0.469 0.074 -0.752) 0.889 16.832 ( -1.311 2.261 -0.454) 2.653 16.866 ( -1.079 -0.685 -1.109) 1.693 17.113 ( 2.804 3.761 -0.178) 4.694 17.180 ( 2.405 -2.124 -2.681) 4.182 17.320 ( -0.770 -1.082 0.930) 1.622 17.345 ( -0.198 -2.902 -0.558) 2.962 17.783 ( 1.150 5.397 0.201) 5.522 17.880 ( -0.633 -2.096 -2.820) 3.570 17.969 ( -4.043 2.536 -1.723) 5.074 18.028 ( -1.053 -2.046 -2.778) 3.608 18.132 ( -1.392 -0.247 3.615) 3.881 18.162 ( -0.043 -2.530 3.114) 4.012 18.298 ( -2.403 -0.081 -0.909) 2.570 18.306 ( -2.506 -0.726 -0.227) 2.619 18.433 ( 4.204 3.908 1.849) 6.031 18.548 ( 3.217 -6.392 -0.952) 7.219 18.624 ( -0.529 1.930 1.717) 2.637 18.659 ( -0.569 -1.283 0.981) 1.713 18.769 ( 0.532 1.992 0.485) 2.118 18.801 ( 2.122 -0.962 -0.479) 2.379 18.903 ( -1.601 0.602 -0.234) 1.726 18.913 ( -1.224 -0.398 -0.489) 1.377 29.040 ( -0.473 4.572 -0.973) 4.699 29.047 ( -0.310 3.683 -1.026) 3.835 29.087 ( 0.515 0.925 -1.260) 1.646 29.136 ( -0.167 -3.402 -1.821) 3.862 29.990 ( -5.573 4.535 0.746) 7.223 30.074 ( -4.450 -2.367 -0.941) 5.127 30.183 ( -4.449 5.911 -0.555) 7.419 30.285 ( -0.863 -2.525 -1.264) 2.952 30.342 ( 2.056 3.721 1.056) 4.380 30.403 ( 2.319 0.221 -0.828) 2.472 30.457 ( 7.360 -3.170 0.097) 8.014 30.522 ( -2.329 -8.756 -0.235) 9.064 30.925 ( 1.320 6.161 -0.162) 6.303 31.004 ( 3.506 0.402 -2.686) 4.435 31.084 ( 1.168 -0.080 0.706) 1.368 31.145 ( 1.939 -3.630 -0.224) 4.121 31.217 ( 4.403 1.143 -2.017) 4.976 31.255 ( 6.137 -2.859 -2.065) 7.078 31.434 ( 1.198 5.070 7.046) 8.763 31.552 ( -0.679 -5.695 4.789) 7.472 32.067 ( 2.098 1.543 3.137) 4.077 32.106 ( 2.413 -2.041 1.973) 3.726 32.299 ( -0.107 3.360 0.799) 3.455 32.384 ( -0.512 -4.062 -0.746) 4.162 35.754 ( 0.862 24.145 3.620) 24.430 36.073 ( -0.185 -4.257 -1.963) 4.692 36.348 ( -9.453 6.529 -2.074) 11.674 36.466 ( -4.317 -4.509 -5.696) 8.451 37.456 ( 0.612 2.746 -1.747) 3.311 37.534 ( 2.972 -4.243 -3.276) 6.129 37.715 ( -2.631 2.146 6.387) 7.233 37.907 ( -3.164 -14.747 -0.101) 15.083 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 1.489 9.737 -3.226) 10.365 1.609 ( 2.964 -7.943 -7.671) 11.434 1.732 ( -7.376 2.703 -2.847) 8.355 1.789 ( -4.799 -2.293 -2.298) 5.794 2.212 ( -14.552 7.188 7.254) 17.777 2.351 ( -23.648 -2.795 1.084) 23.838 2.619 ( -10.052 2.746 4.650) 11.411 2.655 ( -26.806 -3.903 9.078) 28.570 3.062 ( 0.916 3.552 -11.149) 11.737 3.120 ( -10.896 -1.284 -10.062) 14.887 3.353 ( -6.493 6.616 2.439) 9.585 3.480 ( -3.176 -1.946 0.714) 3.792 3.787 ( -3.508 11.013 2.037) 11.736 3.857 ( -6.268 11.030 -4.947) 13.617 3.981 ( -2.893 -2.268 -2.973) 4.728 4.027 ( -2.670 -2.855 -2.702) 4.752 4.283 ( 1.005 9.323 6.931) 11.660 4.350 ( -0.764 0.622 10.761) 10.806 4.405 ( 1.375 -2.468 11.373) 11.719 4.507 ( 1.313 -2.770 -3.820) 4.898 4.641 ( -4.417 9.803 -3.664) 11.359 4.769 ( -4.744 8.849 1.689) 10.182 5.037 ( 1.248 -4.900 8.446) 9.844 5.156 ( -1.486 -18.842 -1.936) 18.999 5.486 ( 4.436 18.123 2.415) 18.814 5.541 ( 7.373 13.217 -6.145) 16.334 5.568 ( 6.660 7.695 -2.975) 10.603 5.616 ( 0.362 8.022 -0.620) 8.054 5.717 ( -2.056 0.112 -1.025) 2.301 5.785 ( -1.528 -6.287 -1.279) 6.595 5.846 ( 7.514 -6.345 -1.321) 9.923 5.971 ( 4.791 -11.760 4.523) 13.480 6.155 ( 7.107 4.835 -6.069) 10.522 6.304 ( 2.212 -8.128 -1.530) 8.562 6.364 ( -1.285 -1.081 -6.835) 7.038 6.462 ( -2.749 -10.752 -9.942) 14.900 6.537 ( 4.108 5.503 -0.435) 6.881 6.621 ( 4.296 -3.325 -2.762) 6.094 6.773 ( 5.559 5.424 7.736) 10.962 6.900 ( 2.811 -5.195 5.889) 8.341 6.966 ( -1.517 1.183 -2.048) 2.809 6.997 ( -5.419 -3.976 -5.247) 8.526 7.180 ( -3.929 1.020 5.190) 6.589 7.285 ( -4.728 -5.158 2.439) 7.409 7.471 ( 4.717 3.815 -0.225) 6.071 7.490 ( 2.359 2.986 -1.041) 3.945 7.667 ( -3.579 -1.130 3.849) 5.376 7.688 ( -2.490 -3.391 3.699) 5.602 7.868 ( 3.418 6.687 3.153) 8.145 8.041 ( 0.075 -2.517 0.069) 2.519 8.160 ( -9.826 7.369 3.916) 12.891 8.350 ( -10.889 -5.137 0.281) 12.044 8.543 ( 0.022 4.000 -0.868) 4.093 8.614 ( -3.825 6.167 2.650) 7.725 8.642 ( 1.232 -3.594 -2.498) 4.547 8.788 ( -5.664 -7.067 -0.901) 9.101 9.421 ( 12.794 3.327 1.904) 13.356 9.505 ( 15.649 -4.431 0.400) 16.269 9.646 ( 3.415 2.114 -1.483) 4.281 9.776 ( 4.702 -9.864 -4.378) 11.772 11.958 ( -0.332 2.689 0.613) 2.778 11.997 ( -1.880 2.034 0.220) 2.778 12.041 ( -0.487 -4.208 0.673) 4.289 12.072 ( -1.759 -4.248 0.576) 4.634 12.616 ( 6.171 3.289 -1.474) 7.147 12.682 ( 5.649 -1.619 -2.484) 6.380 12.734 ( 6.582 0.175 -1.478) 6.748 12.766 ( 3.794 -1.957 -1.541) 4.538 12.902 ( -2.453 5.346 0.871) 5.946 12.972 ( -0.362 1.170 1.951) 2.303 13.003 ( -3.723 1.834 1.254) 4.335 13.103 ( -2.486 -4.997 -0.102) 5.582 13.235 ( -2.514 4.353 -1.428) 5.226 13.273 ( -3.472 4.119 1.059) 5.491 13.339 ( -0.265 -5.600 0.141) 5.608 13.377 ( -2.151 -5.402 1.175) 5.932 16.767 ( 0.215 1.997 -0.015) 2.008 16.789 ( -0.111 1.108 -1.063) 1.540 16.810 ( -0.538 0.328 -0.144) 0.647 16.840 ( -1.410 -1.211 -0.849) 2.043 17.175 ( 3.229 3.800 -0.374) 5.001 17.226 ( 1.733 0.682 -2.503) 3.120 17.303 ( -0.660 -2.423 1.034) 2.716 17.333 ( -1.026 -3.476 -0.683) 3.688 17.818 ( 2.407 3.279 -0.339) 4.082 17.864 ( -0.675 1.392 -1.821) 2.390 17.895 ( -2.792 2.438 -0.131) 3.709 17.973 ( -4.224 -2.689 -2.367) 5.538 18.140 ( 2.000 0.242 2.088) 2.901 18.179 ( 1.097 -3.224 1.787) 3.846 18.243 ( -3.057 -0.754 -0.630) 3.211 18.249 ( -2.952 -1.267 0.266) 3.223 18.506 ( 3.258 3.956 1.821) 5.439 18.603 ( 2.178 -4.643 -0.329) 5.139 18.605 ( -1.643 2.140 2.134) 3.440 18.647 ( -0.476 -1.590 0.747) 1.820 18.789 ( 1.453 2.709 0.526) 3.119 18.847 ( 2.160 -2.296 -1.110) 3.342 18.863 ( -2.156 1.136 -0.058) 2.437 18.895 ( -0.647 -1.694 -0.675) 1.935 29.032 ( -0.247 5.327 -0.700) 5.379 29.039 ( -0.436 4.757 -0.546) 4.809 29.099 ( 0.704 -0.871 -1.442) 1.826 29.129 ( -0.630 -3.272 -1.728) 3.754 29.926 ( -0.669 5.379 0.535) 5.447 30.035 ( -0.864 -0.351 -2.699) 2.856 30.080 ( -4.120 1.945 0.335) 4.569 30.228 ( -5.268 -6.756 -3.769) 9.359 30.390 ( 2.988 1.919 1.443) 3.833 30.431 ( 2.230 -1.160 0.027) 2.514 30.497 ( -1.407 -1.282 2.375) 3.044 30.530 ( 0.083 -3.695 0.310) 3.709 30.979 ( 3.302 9.221 -1.380) 9.891 31.035 ( 0.228 6.414 -2.109) 6.756 31.133 ( 2.580 -3.226 -1.904) 4.548 31.192 ( 1.062 -5.388 -2.108) 5.882 31.323 ( 7.615 0.103 1.170) 7.705 31.356 ( 4.506 -2.920 -0.735) 5.420 31.466 ( 1.039 1.720 6.096) 6.419 31.543 ( -0.907 -4.819 5.700) 7.519 32.131 ( 4.456 1.932 2.575) 5.498 32.179 ( 4.955 -2.392 1.307) 5.656 32.283 ( -1.843 3.176 1.051) 3.819 32.356 ( -2.570 -3.345 -0.352) 4.233 35.796 ( 3.996 21.806 2.559) 22.316 36.075 ( -1.275 2.576 -3.885) 4.833 36.148 ( -8.194 5.220 0.797) 9.748 36.334 ( -8.385 -6.185 -5.041) 11.575 37.489 ( 2.723 3.537 0.302) 4.474 37.595 ( 1.921 -1.990 -1.067) 2.964 37.661 ( -1.317 -2.911 2.729) 4.202 37.825 ( -5.080 -13.444 -0.959) 14.404 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -10.165 8.553 -4.664) 14.079 1.524 ( 10.165 8.553 -4.664) 14.079 1.671 ( -4.989 -5.395 -7.039) 10.176 1.671 ( 4.989 -5.395 -7.039) 10.176 2.135 ( -4.518 3.673 8.558) 10.351 2.135 ( 4.518 3.673 8.558) 10.351 2.320 ( -6.433 -12.685 10.458) 17.654 2.320 ( 6.433 -12.685 10.458) 17.654 3.124 ( -6.220 13.567 -6.438) 16.254 3.124 ( 6.220 13.567 -6.438) 16.254 3.356 ( -8.430 -8.617 -8.143) 14.547 3.356 ( 8.430 -8.617 -8.143) 14.547 3.773 ( -2.328 14.779 -2.853) 15.230 3.773 ( 2.328 14.779 -2.853) 15.230 3.977 ( -1.933 -2.816 -1.788) 3.855 3.977 ( 1.933 -2.816 -1.788) 3.855 4.319 ( -2.569 5.322 7.548) 9.586 4.319 ( 2.569 5.322 7.548) 9.586 4.479 ( -4.894 -9.237 5.666) 11.891 4.479 ( 4.894 -9.237 5.666) 11.891 4.655 ( -6.399 19.603 2.892) 20.823 4.655 ( 6.399 19.603 2.892) 20.823 5.084 ( -4.174 -16.960 -0.713) 17.480 5.084 ( 4.174 -16.960 -0.713) 17.480 5.567 ( -3.347 18.662 1.842) 19.049 5.567 ( 3.347 18.662 1.842) 19.049 5.629 ( -0.580 7.435 -0.128) 7.458 5.629 ( 0.580 7.435 -0.128) 7.458 5.730 ( -3.029 -1.399 -2.150) 3.969 5.730 ( 3.029 -1.399 -2.150) 3.969 5.989 ( -4.167 -14.321 4.187) 15.491 5.989 ( 4.167 -14.321 4.187) 15.491 6.282 ( -4.604 5.079 -8.252) 10.728 6.282 ( 4.604 5.079 -8.252) 10.728 6.381 ( -3.832 -5.440 -9.763) 11.815 6.381 ( 3.832 -5.440 -9.763) 11.815 6.662 ( -4.477 5.246 -2.209) 7.242 6.662 ( 4.477 5.246 -2.209) 7.242 6.827 ( -3.729 -7.953 -2.983) 9.276 6.827 ( 3.729 -7.953 -2.983) 9.276 6.984 ( -4.837 5.170 3.049) 7.709 6.984 ( 4.837 5.170 3.049) 7.709 7.169 ( -6.265 -9.617 7.265) 13.584 7.169 ( 6.265 -9.617 7.265) 13.584 7.530 ( -3.137 6.053 -0.470) 6.834 7.530 ( 3.137 6.053 -0.470) 6.834 7.623 ( -4.145 -4.144 2.331) 6.308 7.623 ( 4.145 -4.144 2.331) 6.308 7.953 ( -6.006 9.698 5.272) 12.566 7.953 ( 6.006 9.698 5.272) 12.566 8.160 ( -7.354 -6.721 3.261) 10.483 8.160 ( 7.354 -6.721 3.261) 10.483 8.565 ( -1.953 5.881 0.100) 6.197 8.565 ( 1.953 5.881 0.100) 6.197 8.699 ( -3.906 -6.376 -2.441) 7.865 8.699 ( 3.906 -6.376 -2.441) 7.865 9.611 ( -5.730 4.757 -0.845) 7.495 9.611 ( 5.730 4.757 -0.845) 7.495 9.752 ( -7.100 -8.410 -1.813) 11.155 9.752 ( 7.100 -8.410 -1.813) 11.155 11.966 ( -1.097 2.841 0.584) 3.101 11.966 ( 1.097 2.841 0.584) 3.101 12.046 ( -0.873 -4.731 0.070) 4.811 12.046 ( 0.873 -4.731 0.070) 4.811 12.722 ( -3.493 3.482 -1.092) 5.052 12.722 ( 3.493 3.482 -1.092) 5.052 12.801 ( -1.901 -3.577 -1.613) 4.360 12.801 ( 1.901 -3.577 -1.613) 4.360 12.909 ( -4.753 5.738 0.888) 7.504 12.909 ( 4.753 5.738 0.888) 7.504 13.024 ( -4.716 -4.599 0.062) 6.588 13.024 ( 4.716 -4.599 0.062) 6.588 13.223 ( -1.286 5.510 0.140) 5.660 13.223 ( 1.286 5.510 0.140) 5.660 13.346 ( -0.949 -6.052 0.886) 6.190 13.346 ( 0.949 -6.052 0.886) 6.190 16.777 ( -0.743 2.374 -0.242) 2.499 16.777 ( 0.743 2.374 -0.242) 2.499 16.817 ( -0.901 -1.422 -0.694) 1.821 16.817 ( 0.901 -1.422 -0.694) 1.821 17.226 ( -1.710 3.690 -1.113) 4.216 17.226 ( 1.710 3.690 -1.113) 4.216 17.309 ( -1.173 -4.112 -0.080) 4.277 17.309 ( 1.173 -4.112 -0.080) 4.277 17.854 ( -0.858 2.954 -0.537) 3.122 17.854 ( 0.858 2.954 -0.537) 3.122 17.895 ( -3.285 -0.618 -1.175) 3.543 17.895 ( 3.285 -0.618 -1.175) 3.543 18.185 ( -2.287 -0.384 -0.067) 2.320 18.185 ( 2.287 -0.384 -0.067) 2.320 18.205 ( -1.263 -2.480 0.931) 2.935 18.205 ( 1.263 -2.480 0.931) 2.935 18.562 ( -2.561 3.350 2.372) 4.838 18.562 ( 2.561 3.350 2.372) 4.838 18.635 ( -1.043 -3.185 0.225) 3.359 18.635 ( 1.043 -3.185 0.225) 3.359 18.822 ( -1.901 2.499 0.295) 3.153 18.822 ( 1.901 2.499 0.295) 3.153 18.881 ( -1.128 -2.804 -1.045) 3.198 18.881 ( 1.128 -2.804 -1.045) 3.198 29.032 ( -0.208 5.461 -0.425) 5.482 29.032 ( 0.208 5.461 -0.425) 5.482 29.114 ( -0.811 -2.467 -1.632) 3.067 29.114 ( 0.811 -2.467 -1.632) 3.067 29.960 ( -3.886 6.827 -0.018) 7.856 29.960 ( 3.886 6.827 -0.018) 7.856 30.118 ( -5.114 -7.824 -2.970) 9.807 30.118 ( 5.114 -7.824 -2.970) 9.807 30.450 ( -2.889 1.453 1.729) 3.667 30.450 ( 2.889 1.453 1.729) 3.667 30.492 ( -3.115 -2.601 0.376) 4.075 30.492 ( 3.115 -2.601 0.376) 4.075 31.025 ( -1.372 8.774 -1.806) 9.062 31.025 ( 1.372 8.774 -1.806) 9.062 31.176 ( -1.927 -4.491 -2.955) 5.711 31.176 ( 1.927 -4.491 -2.955) 5.711 31.430 ( -1.730 0.599 3.157) 3.649 31.430 ( 1.730 0.599 3.157) 3.649 31.485 ( -4.567 -4.378 4.166) 7.575 31.485 ( 4.567 -4.378 4.166) 7.575 32.222 ( -4.362 2.625 1.707) 5.370 32.222 ( 4.362 2.625 1.707) 5.370 32.281 ( -5.036 -2.787 0.382) 5.769 32.281 ( 5.036 -2.787 0.382) 5.769 35.919 ( -8.716 18.370 0.699) 20.345 35.919 ( 8.716 18.370 0.699) 20.345 36.183 ( -6.379 -6.307 -3.299) 9.558 36.183 ( 6.379 -6.307 -3.299) 9.558 37.554 ( -3.707 3.887 2.031) 5.743 37.554 ( 3.707 3.887 2.031) 5.743 37.722 ( -5.228 -11.499 -1.654) 12.739 37.722 ( 5.228 -11.499 -1.654) 12.739 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 0.000 18.349) 18.349 1.169 ( 0.000 0.000 -9.532) 9.532 1.340 ( 0.000 0.000 36.277) 36.277 1.682 ( 0.000 0.000 7.490) 7.490 1.809 ( 0.000 0.000 -6.312) 6.312 1.971 ( 0.000 0.000 -27.798) 27.798 2.011 ( 0.000 0.000 38.057) 38.057 2.408 ( 0.000 0.000 7.623) 7.623 2.477 ( 0.000 0.000 -8.974) 8.974 2.642 ( 0.000 0.000 -15.802) 15.802 2.680 ( 0.000 0.000 10.008) 10.008 2.755 ( 0.000 0.000 2.558) 2.558 2.885 ( 0.000 0.000 7.249) 7.249 2.986 ( 0.000 0.000 -3.811) 3.811 3.358 ( 0.000 0.000 -4.720) 4.720 3.388 ( 0.000 0.000 4.722) 4.722 3.516 ( 0.000 0.000 -10.251) 10.251 3.573 ( 0.000 0.000 -27.707) 27.707 4.171 ( 0.000 0.000 21.453) 21.453 4.552 ( 0.000 0.000 -18.112) 18.112 4.863 ( 0.000 0.000 17.271) 17.271 4.893 ( 0.000 0.000 5.975) 5.975 5.000 ( 0.000 0.000 -6.110) 6.110 5.201 ( 0.000 0.000 -19.411) 19.411 5.427 ( 0.000 0.000 4.225) 4.225 5.457 ( 0.000 0.000 -0.250) 0.250 5.657 ( 0.000 0.000 19.078) 19.078 5.797 ( 0.000 0.000 5.286) 5.286 5.802 ( 0.000 0.000 9.210) 9.210 5.817 ( 0.000 0.000 -4.817) 4.817 5.921 ( 0.000 0.000 -3.577) 3.577 6.108 ( 0.000 0.000 -19.115) 19.115 6.228 ( 0.000 0.000 7.901) 7.901 6.307 ( 0.000 0.000 2.979) 2.979 6.341 ( 0.000 0.000 -0.353) 0.353 6.380 ( 0.000 0.000 -8.459) 8.459 6.737 ( 0.000 0.000 4.271) 4.271 6.838 ( 0.000 0.000 -7.109) 7.109 6.886 ( 0.000 0.000 4.471) 4.471 6.968 ( 0.000 0.000 3.972) 3.972 7.026 ( 0.000 0.000 -10.191) 10.191 7.053 ( 0.000 0.000 -4.321) 4.321 7.221 ( 0.000 0.000 5.825) 5.825 7.272 ( 0.000 0.000 9.708) 9.708 7.305 ( 0.000 0.000 -2.650) 2.650 7.433 ( 0.000 0.000 -5.322) 5.322 7.620 ( 0.000 0.000 -1.672) 1.672 7.636 ( 0.000 0.000 -4.895) 4.895 7.932 ( 0.000 0.000 4.357) 4.357 7.944 ( 0.000 0.000 4.650) 4.650 8.250 ( 0.000 0.000 12.484) 12.484 8.321 ( 0.000 0.000 -1.126) 1.126 8.339 ( 0.000 0.000 -3.920) 3.920 8.442 ( 0.000 0.000 -8.291) 8.291 9.111 ( 0.000 0.000 1.943) 1.943 9.182 ( 0.000 0.000 -6.066) 6.066 9.503 ( 0.000 0.000 7.931) 7.931 9.611 ( 0.000 0.000 -4.007) 4.007 10.050 ( 0.000 0.000 13.336) 13.336 10.289 ( 0.000 0.000 -12.100) 12.100 12.072 ( 0.000 0.000 0.594) 0.594 12.087 ( 0.000 0.000 -1.096) 1.096 12.178 ( 0.000 0.000 3.020) 3.020 12.193 ( 0.000 0.000 1.234) 1.234 12.326 ( 0.000 0.000 -0.446) 0.446 12.364 ( 0.000 0.000 -4.349) 4.349 12.707 ( 0.000 0.000 0.838) 0.838 12.733 ( 0.000 0.000 -1.946) 1.946 12.945 ( 0.000 0.000 1.734) 1.734 12.970 ( 0.000 0.000 -0.972) 0.972 13.039 ( 0.000 0.000 2.824) 2.824 13.079 ( 0.000 0.000 -1.504) 1.504 13.167 ( 0.000 0.000 3.308) 3.308 13.232 ( 0.000 0.000 -3.584) 3.584 13.710 ( 0.000 0.000 1.722) 1.722 13.742 ( 0.000 0.000 -1.727) 1.727 16.694 ( 0.000 0.000 0.732) 0.732 16.711 ( 0.000 0.000 -1.057) 1.057 16.813 ( 0.000 0.000 1.475) 1.475 16.840 ( 0.000 0.000 -1.480) 1.480 17.384 ( 0.000 0.000 0.243) 0.243 17.402 ( 0.000 0.000 -1.743) 1.743 17.547 ( 0.000 0.000 1.111) 1.111 17.562 ( 0.000 0.000 -0.471) 0.471 17.860 ( 0.000 0.000 1.801) 1.801 17.898 ( 0.000 0.000 -2.267) 2.267 17.913 ( 0.000 0.000 1.963) 1.963 17.950 ( 0.000 0.000 -1.868) 1.868 18.005 ( 0.000 0.000 3.660) 3.660 18.083 ( 0.000 0.000 -4.856) 4.856 18.482 ( 0.000 0.000 1.570) 1.570 18.512 ( 0.000 0.000 -1.640) 1.640 18.587 ( 0.000 0.000 5.473) 5.473 18.601 ( 0.000 0.000 2.533) 2.533 18.609 ( 0.000 0.000 2.051) 2.051 18.644 ( 0.000 0.000 -2.084) 2.084 18.688 ( 0.000 0.000 -0.875) 0.875 18.691 ( 0.000 0.000 0.246) 0.246 18.756 ( 0.000 0.000 -1.280) 1.280 18.769 ( 0.000 0.000 -3.252) 3.252 28.571 ( 0.000 0.000 0.318) 0.318 28.578 ( 0.000 0.000 -0.543) 0.543 28.648 ( 0.000 0.000 1.063) 1.063 28.665 ( 0.000 0.000 -0.838) 0.838 29.575 ( 0.000 0.000 1.832) 1.832 29.620 ( 0.000 0.000 -3.050) 3.050 30.201 ( 0.000 0.000 2.968) 2.968 30.272 ( 0.000 0.000 -4.593) 4.593 30.304 ( 0.000 0.000 0.699) 0.699 30.308 ( 0.000 0.000 0.204) 0.204 30.642 ( 0.000 0.000 3.314) 3.314 30.719 ( 0.000 0.000 -5.172) 5.172 30.863 ( 0.000 0.000 1.185) 1.185 30.882 ( 0.000 0.000 -0.676) 0.676 31.236 ( 0.000 0.000 8.291) 8.291 31.355 ( 0.000 0.000 -4.821) 4.821 31.415 ( 0.000 0.000 6.281) 6.281 31.539 ( 0.000 0.000 -6.738) 6.738 31.563 ( 0.000 0.000 0.918) 0.918 31.580 ( 0.000 0.000 -0.919) 0.919 31.648 ( 0.000 0.000 17.227) 17.227 31.812 ( 0.000 0.000 0.925) 0.925 31.830 ( 0.000 0.000 -0.930) 0.930 31.981 ( 0.000 0.000 -18.197) 18.197 33.608 ( 0.000 0.000 8.385) 8.385 33.753 ( 0.000 0.000 -7.078) 7.078 36.626 ( 0.000 0.000 7.398) 7.398 36.770 ( 0.000 0.000 -7.936) 7.936 37.744 ( 0.000 0.000 5.448) 5.448 37.841 ( 0.000 0.000 -4.948) 4.948 39.038 ( 0.000 0.000 0.850) 0.850 39.053 ( 0.000 0.000 -0.774) 0.774 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 13.311 0.000 13.309) 18.823 1.254 ( 7.968 0.000 -7.292) 10.801 1.327 ( 2.451 0.000 30.433) 30.532 1.713 ( 2.729 0.000 5.587) 6.218 1.811 ( 0.029 0.000 -5.316) 5.316 1.840 ( -9.305 0.000 -21.772) 23.677 2.169 ( 12.976 0.000 30.288) 32.951 2.427 ( 2.062 0.000 8.312) 8.564 2.491 ( -0.354 0.000 -1.976) 2.007 2.666 ( 2.490 0.000 -15.818) 16.013 2.741 ( 0.509 0.000 2.746) 2.793 2.781 ( 6.380 0.000 0.147) 6.382 2.883 ( -0.393 0.000 5.822) 5.836 2.960 ( -2.819 0.000 -2.631) 3.856 3.369 ( -1.153 0.000 6.267) 6.372 3.386 ( 4.976 0.000 3.090) 5.858 3.523 ( 0.061 0.000 -10.926) 10.926 3.664 ( 5.490 0.000 -20.430) 21.154 4.076 ( -9.142 0.000 10.169) 13.674 4.334 ( -22.179 0.000 -10.692) 24.622 4.713 ( -11.454 0.000 7.202) 13.530 4.864 ( -3.116 0.000 5.559) 6.373 4.927 ( -22.106 0.000 -14.427) 26.398 4.954 ( -4.402 0.000 -4.389) 6.216 5.298 ( -10.515 0.000 1.766) 10.662 5.333 ( -9.271 0.000 -1.294) 9.361 5.587 ( -2.358 0.000 15.414) 15.593 5.742 ( -4.424 0.000 7.910) 9.063 5.746 ( -3.366 0.000 -2.497) 4.191 5.843 ( -4.177 0.000 -2.616) 4.928 5.991 ( 7.932 0.000 3.935) 8.854 6.149 ( 3.124 0.000 -9.195) 9.711 6.240 ( -5.217 0.000 9.815) 11.115 6.389 ( -11.812 0.000 -4.410) 12.608 6.433 ( 9.900 0.000 -0.088) 9.901 6.448 ( 11.926 0.000 -2.139) 12.116 6.613 ( -10.032 0.000 -0.316) 10.037 6.698 ( 9.610 0.000 -8.991) 13.160 6.746 ( 1.397 0.000 3.182) 3.475 6.836 ( -0.449 0.000 -6.716) 6.731 7.073 ( -0.927 0.000 3.217) 3.348 7.144 ( 0.902 0.000 -4.388) 4.480 7.289 ( 2.009 0.000 8.829) 9.054 7.434 ( 0.091 0.000 -4.986) 4.987 7.634 ( 1.514 0.000 -1.400) 2.062 7.646 ( 14.740 0.000 3.515) 15.153 7.656 ( 1.955 0.000 -4.208) 4.640 7.712 ( 12.514 0.000 -3.739) 13.060 7.852 ( 5.686 0.000 5.523) 7.927 7.866 ( 2.486 0.000 5.341) 5.891 8.186 ( -6.396 0.000 11.596) 13.243 8.317 ( -0.668 0.000 1.394) 1.545 8.364 ( -7.850 0.000 -7.631) 10.948 8.381 ( 2.556 0.000 -5.196) 5.790 8.994 ( -13.255 0.000 3.406) 13.686 9.073 ( -11.799 0.000 -5.200) 12.894 9.587 ( 11.479 0.000 10.582) 15.612 9.719 ( 14.554 0.000 -4.200) 15.148 10.155 ( 8.166 0.000 10.834) 13.567 10.402 ( 8.498 0.000 -15.644) 17.803 12.087 ( 1.451 0.000 0.635) 1.584 12.104 ( 1.524 0.000 -1.150) 1.909 12.176 ( -0.188 0.000 3.146) 3.151 12.191 ( -0.174 0.000 1.607) 1.616 12.304 ( -1.914 0.000 -0.903) 2.116 12.339 ( -2.216 0.000 -4.298) 4.835 12.672 ( -3.002 0.000 0.370) 3.024 12.693 ( -3.086 0.000 -1.930) 3.640 12.993 ( 4.519 0.000 1.698) 4.828 13.019 ( 4.230 0.000 -0.919) 4.329 13.019 ( -1.814 0.000 1.995) 2.697 13.038 ( -2.602 0.000 0.046) 2.602 13.228 ( 3.699 0.000 0.974) 3.825 13.260 ( 2.291 0.000 -2.398) 3.317 13.691 ( -1.855 0.000 1.599) 2.449 13.721 ( -2.102 0.000 -1.616) 2.652 16.671 ( 0.376 0.000 2.069) 2.103 16.719 ( 0.670 0.000 -2.905) 2.981 16.871 ( 3.190 0.000 0.783) 3.284 16.890 ( 3.799 0.000 -1.195) 3.982 17.333 ( -3.423 0.000 0.929) 3.547 17.364 ( -2.804 0.000 -2.330) 3.646 17.533 ( -1.519 0.000 1.404) 2.069 17.555 ( -1.128 0.000 -0.898) 1.442 17.860 ( 0.059 0.000 1.420) 1.421 17.880 ( -0.874 0.000 -0.302) 0.924 17.940 ( 1.803 0.000 0.044) 1.803 17.960 ( 0.944 0.000 -1.528) 1.796 18.025 ( 1.497 0.000 2.879) 3.245 18.090 ( -0.015 0.000 -4.229) 4.229 18.483 ( 0.175 0.000 1.464) 1.474 18.511 ( -0.168 0.000 -1.356) 1.367 18.568 ( -4.315 0.000 5.576) 7.050 18.595 ( -0.586 0.000 2.191) 2.268 18.596 ( -1.563 0.000 4.117) 4.404 18.608 ( -1.593 0.000 -0.703) 1.741 18.634 ( -1.040 0.000 -1.924) 2.187 18.693 ( -1.975 0.000 -4.042) 4.499 18.769 ( 1.498 0.000 0.447) 1.563 18.786 ( 1.704 0.000 -1.598) 2.336 28.573 ( 0.230 0.000 0.336) 0.408 28.581 ( 0.231 0.000 -0.545) 0.592 28.645 ( -0.222 0.000 0.982) 1.007 28.662 ( -0.372 0.000 -0.774) 0.859 29.576 ( 0.361 0.000 1.944) 1.978 29.630 ( 0.478 0.000 -3.776) 3.806 29.978 ( -7.178 0.000 2.172) 7.499 30.039 ( -6.996 0.000 -4.012) 8.065 30.477 ( 2.515 0.000 2.559) 3.588 30.523 ( 3.400 0.000 -2.295) 4.102 30.728 ( 2.744 0.000 1.794) 3.278 30.766 ( 0.224 0.000 -2.235) 2.247 30.976 ( 14.316 0.000 5.163) 15.219 31.117 ( 20.272 0.000 -10.170) 22.680 31.251 ( 2.221 0.000 7.651) 7.967 31.335 ( -0.125 0.000 0.970) 0.978 31.486 ( 5.969 0.000 1.607) 6.182 31.569 ( 3.311 0.000 -5.718) 6.607 31.571 ( 0.755 0.000 0.849) 1.136 31.587 ( 0.591 0.000 -0.828) 1.018 31.666 ( 1.823 0.000 12.874) 13.003 31.806 ( -0.625 0.000 0.833) 1.041 31.822 ( -0.791 0.000 -0.859) 1.168 31.963 ( -1.771 0.000 -17.277) 17.368 33.813 ( 19.584 0.000 4.079) 20.004 33.920 ( 17.943 0.000 -6.652) 19.136 36.283 ( -28.810 0.000 13.360) 31.758 36.507 ( -24.996 0.000 -11.440) 27.489 37.891 ( 12.251 0.000 5.246) 13.327 37.989 ( 11.779 0.000 -5.103) 12.837 38.906 ( -12.691 0.000 4.479) 13.459 38.950 ( -8.356 0.000 -1.102) 8.428 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 13.409 0.000 5.721) 14.578 1.428 ( 8.530 0.000 -3.214) 9.116 1.508 ( 14.333 0.000 15.949) 21.443 1.756 ( 0.986 0.000 1.190) 1.546 1.762 ( 3.210 0.000 -9.428) 9.960 1.796 ( -1.820 0.000 -3.575) 4.011 2.362 ( -2.567 0.000 13.339) 13.584 2.423 ( 1.213 0.000 12.760) 12.817 2.499 ( 5.723 0.000 9.827) 11.372 2.723 ( 1.965 0.000 -12.551) 12.704 2.777 ( 3.152 0.000 0.293) 3.165 2.848 ( -3.554 0.000 3.135) 4.740 2.899 ( -2.232 0.000 -1.235) 2.551 2.920 ( 10.373 0.000 -11.455) 15.454 3.370 ( 1.550 0.000 4.880) 5.121 3.461 ( -24.652 0.000 9.132) 26.289 3.498 ( -2.751 0.000 -9.064) 9.472 3.546 ( 0.483 0.000 5.134) 5.157 3.860 ( -14.146 0.000 -2.530) 14.370 4.052 ( 5.392 0.000 -16.681) 17.531 4.470 ( -11.726 0.000 3.115) 12.133 4.599 ( -11.189 0.000 -9.119) 14.434 4.788 ( -3.685 0.000 3.789) 5.285 4.847 ( -5.981 0.000 -2.984) 6.684 5.140 ( -4.697 0.000 3.605) 5.921 5.181 ( -5.972 0.000 -0.132) 5.973 5.569 ( 0.186 0.000 6.209) 6.212 5.662 ( -4.424 0.000 -3.397) 5.578 5.669 ( -2.285 0.000 5.211) 5.689 5.782 ( -3.213 0.000 -5.417) 6.299 6.027 ( -10.309 0.000 3.444) 10.869 6.100 ( -13.869 0.000 -4.229) 14.500 6.101 ( 4.350 0.000 6.687) 7.977 6.192 ( 0.688 0.000 -1.484) 1.636 6.590 ( 5.662 0.000 0.154) 5.664 6.684 ( 6.071 0.000 -9.850) 11.570 6.705 ( 11.185 0.000 11.264) 15.874 6.810 ( 5.716 0.000 2.324) 6.170 6.851 ( 4.383 0.000 -1.728) 4.712 6.899 ( 7.792 0.000 -9.130) 12.003 7.048 ( -1.870 0.000 1.546) 2.427 7.111 ( -5.544 0.000 -3.562) 6.590 7.349 ( 3.718 0.000 4.862) 6.121 7.433 ( -0.444 0.000 -3.144) 3.175 7.580 ( -4.516 0.000 3.416) 5.662 7.605 ( -5.692 0.000 1.325) 5.845 7.685 ( 4.036 0.000 -0.170) 4.039 7.717 ( 4.787 0.000 -3.215) 5.766 8.023 ( -9.610 0.000 8.856) 13.068 8.108 ( 8.465 0.000 6.803) 10.859 8.158 ( -12.708 0.000 -5.634) 13.901 8.205 ( 11.670 0.000 -2.172) 11.870 8.328 ( 3.487 0.000 3.606) 5.016 8.414 ( 2.268 0.000 -5.082) 5.565 8.730 ( -11.460 0.000 2.344) 11.697 8.785 ( -14.994 0.000 -2.964) 15.285 9.905 ( 18.302 0.000 11.665) 21.704 10.087 ( 19.403 0.000 -7.913) 20.954 10.275 ( 3.057 0.000 10.357) 10.798 10.513 ( 1.335 0.000 -14.770) 14.830 12.120 ( 1.738 0.000 0.436) 1.792 12.134 ( 1.307 0.000 -1.035) 1.667 12.173 ( -0.091 0.000 3.438) 3.439 12.186 ( -0.455 0.000 2.717) 2.755 12.270 ( -1.141 0.000 -2.340) 2.603 12.295 ( -2.079 0.000 -4.139) 4.632 12.619 ( -1.954 0.000 -0.198) 1.964 12.639 ( -2.406 0.000 -2.475) 3.452 12.978 ( -1.629 0.000 1.838) 2.456 12.993 ( -1.989 0.000 0.240) 2.003 13.093 ( 4.996 0.000 1.331) 5.170 13.112 ( 4.357 0.000 -0.754) 4.422 13.280 ( 1.806 0.000 0.376) 1.845 13.296 ( 1.141 0.000 -1.370) 1.783 13.648 ( -2.150 0.000 1.085) 2.408 13.669 ( -2.909 0.000 -1.172) 3.136 16.720 ( 4.241 0.000 1.110) 4.384 16.757 ( 3.249 0.000 -2.525) 4.115 16.888 ( -1.595 0.000 1.409) 2.128 16.918 ( -1.598 0.000 -1.813) 2.416 17.304 ( 0.800 0.000 0.860) 1.175 17.338 ( 0.210 0.000 -2.649) 2.657 17.495 ( -1.926 0.000 1.301) 2.325 17.519 ( -2.275 0.000 -1.187) 2.566 17.862 ( 0.093 0.000 0.838) 0.844 17.869 ( -0.376 0.000 0.229) 0.440 17.972 ( 1.358 0.000 -0.373) 1.409 17.980 ( 0.936 0.000 -1.047) 1.404 18.043 ( 0.283 0.000 0.696) 0.751 18.072 ( -1.519 0.000 -2.428) 2.863 18.488 ( -2.718 0.000 5.039) 5.725 18.489 ( 0.399 0.000 1.163) 1.230 18.506 ( -0.326 0.000 -0.485) 0.585 18.527 ( -3.859 0.000 -0.207) 3.864 18.584 ( -0.368 0.000 1.093) 1.153 18.609 ( -1.402 0.000 -1.408) 1.987 18.624 ( 0.961 0.000 1.166) 1.511 18.656 ( -1.226 0.000 -0.907) 1.525 18.808 ( 2.041 0.000 0.367) 2.074 18.822 ( 1.609 0.000 -0.880) 1.834 28.579 ( 0.366 0.000 0.299) 0.472 28.585 ( 0.166 0.000 -0.399) 0.432 28.641 ( -0.121 0.000 0.638) 0.650 28.652 ( -0.543 0.000 -0.540) 0.766 29.590 ( 0.943 0.000 0.817) 1.248 29.627 ( -0.704 0.000 -3.247) 3.322 29.925 ( 0.572 0.000 2.848) 2.905 29.981 ( -0.899 0.000 -2.772) 2.914 30.486 ( 0.009 0.000 2.148) 2.148 30.532 ( -1.186 0.000 -2.695) 2.944 30.731 ( -0.709 0.000 0.335) 0.784 30.743 ( -1.505 0.000 -0.929) 1.768 31.211 ( 5.757 0.000 6.289) 8.526 31.274 ( 1.786 0.000 2.080) 2.742 31.312 ( 4.205 0.000 8.773) 9.729 31.410 ( 2.910 0.000 -0.264) 2.922 31.589 ( 0.983 0.000 0.598) 1.150 31.599 ( 0.567 0.000 -0.503) 0.758 31.621 ( 5.368 0.000 -2.155) 5.784 31.685 ( 6.573 0.000 2.392) 6.995 31.714 ( 4.411 0.000 -5.624) 7.147 31.792 ( -0.600 0.000 0.505) 0.784 31.803 ( -1.019 0.000 -0.604) 1.185 31.916 ( -3.031 0.000 -14.835) 15.141 34.278 ( 27.345 0.000 5.210) 27.837 34.415 ( 29.540 0.000 -8.997) 30.880 35.689 ( -30.013 0.000 12.977) 32.698 35.928 ( -32.530 0.000 -12.824) 34.967 38.129 ( 11.565 0.000 5.185) 12.674 38.216 ( 10.879 0.000 -3.815) 11.528 38.657 ( -11.555 0.000 7.045) 13.534 38.753 ( -11.213 0.000 -3.599) 11.777 ======================= Grid point 129 (44/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -2.183 0.000 0.842) 2.339 1.511 ( 2.183 0.000 0.842) 2.339 1.759 ( -0.786 0.000 -2.234) 2.368 1.759 ( 0.786 0.000 -2.234) 2.368 1.766 ( -9.854 0.000 10.557) 14.441 1.766 ( 9.854 0.000 10.557) 14.441 2.363 ( -9.254 0.000 -2.959) 9.715 2.363 ( 9.254 0.000 -2.959) 9.715 2.642 ( -8.179 0.000 6.526) 10.464 2.642 ( 8.179 0.000 6.526) 10.464 2.854 ( -2.798 0.000 -5.577) 6.240 2.854 ( 2.798 0.000 -5.577) 6.240 2.962 ( -19.051 0.000 12.706) 22.899 2.962 ( 19.051 0.000 12.706) 22.899 3.231 ( -20.383 0.000 -13.553) 24.477 3.231 ( 20.383 0.000 -13.553) 24.477 3.427 ( -3.993 0.000 -2.158) 4.539 3.427 ( 3.993 0.000 -2.158) 4.539 4.000 ( -12.769 0.000 10.775) 16.708 4.000 ( 12.769 0.000 10.775) 16.708 4.425 ( -6.732 0.000 -11.072) 12.958 4.425 ( 6.732 0.000 -11.072) 12.958 4.764 ( -1.747 0.000 0.118) 1.751 4.764 ( 1.747 0.000 0.118) 1.751 5.110 ( -1.242 0.000 2.417) 2.718 5.110 ( 1.242 0.000 2.417) 2.718 5.594 ( -2.449 0.000 -0.150) 2.454 5.594 ( 2.449 0.000 -0.150) 2.454 5.691 ( -4.680 0.000 -3.603) 5.906 5.691 ( 4.680 0.000 -3.603) 5.906 5.943 ( -2.173 0.000 0.933) 2.365 5.943 ( 2.173 0.000 0.933) 2.365 6.170 ( -2.670 0.000 4.241) 5.012 6.170 ( 2.670 0.000 4.241) 5.012 6.670 ( -3.343 0.000 -5.248) 6.223 6.670 ( 3.343 0.000 -5.248) 6.223 6.914 ( -1.135 0.000 0.134) 1.143 6.914 ( 1.135 0.000 0.134) 1.143 6.923 ( -10.592 0.000 7.596) 13.034 6.923 ( 10.592 0.000 7.596) 13.034 7.004 ( -3.444 0.000 -3.242) 4.730 7.004 ( 3.444 0.000 -3.242) 4.730 7.409 ( -2.158 0.000 0.109) 2.161 7.409 ( 2.158 0.000 0.109) 2.161 7.561 ( -0.338 0.000 -0.220) 0.403 7.561 ( 0.338 0.000 -0.220) 0.403 7.786 ( -4.024 0.000 0.884) 4.120 7.786 ( 4.024 0.000 0.884) 4.120 7.930 ( -7.189 0.000 -0.498) 7.206 7.930 ( 7.189 0.000 -0.498) 7.206 8.209 ( -5.338 0.000 -2.637) 5.954 8.209 ( 5.338 0.000 -2.637) 5.954 8.448 ( -4.493 0.000 4.627) 6.450 8.448 ( 4.493 0.000 4.627) 6.450 8.606 ( -2.224 0.000 -1.580) 2.728 8.606 ( 2.224 0.000 -1.580) 2.728 10.187 ( -9.164 0.000 9.151) 12.950 10.187 ( 9.164 0.000 9.151) 12.950 10.422 ( -10.654 0.000 -9.355) 14.179 10.422 ( 10.654 0.000 -9.355) 14.179 12.144 ( -0.450 0.000 -0.367) 0.580 12.144 ( 0.450 0.000 -0.367) 0.580 12.176 ( -0.417 0.000 3.501) 3.526 12.176 ( 0.417 0.000 3.501) 3.526 12.267 ( -0.731 0.000 -3.642) 3.714 12.267 ( 0.731 0.000 -3.642) 3.714 12.606 ( -0.668 0.000 -1.495) 1.638 12.606 ( 0.668 0.000 -1.495) 1.638 12.967 ( -0.525 0.000 1.162) 1.275 12.967 ( 0.525 0.000 1.162) 1.275 13.154 ( -0.629 0.000 0.311) 0.701 13.154 ( 0.629 0.000 0.311) 0.701 13.302 ( -0.489 0.000 -0.542) 0.730 13.302 ( 0.489 0.000 -0.542) 0.730 13.630 ( -0.668 0.000 -0.095) 0.675 13.630 ( 0.668 0.000 -0.095) 0.675 16.805 ( -2.681 0.000 0.309) 2.699 16.805 ( 2.681 0.000 0.309) 2.699 16.855 ( -2.681 0.000 -1.296) 2.977 16.855 ( 2.681 0.000 -1.296) 2.977 17.336 ( -1.303 0.000 -0.617) 1.441 17.336 ( 1.303 0.000 -0.617) 1.441 17.482 ( -0.985 0.000 -0.366) 1.051 17.482 ( 0.985 0.000 -0.366) 1.051 17.864 ( -0.144 0.000 0.498) 0.519 17.864 ( 0.144 0.000 0.498) 0.519 17.988 ( -0.198 0.000 -0.670) 0.699 17.988 ( 0.198 0.000 -0.670) 0.699 18.048 ( -0.678 0.000 -0.952) 1.168 18.048 ( 0.678 0.000 -0.952) 1.168 18.473 ( -1.220 0.000 1.542) 1.966 18.473 ( 1.220 0.000 1.542) 1.966 18.498 ( -0.491 0.000 0.572) 0.754 18.498 ( 0.491 0.000 0.572) 0.754 18.587 ( -0.716 0.000 -0.395) 0.818 18.587 ( 0.716 0.000 -0.395) 0.818 18.640 ( -0.728 0.000 1.331) 1.517 18.640 ( 0.728 0.000 1.331) 1.517 18.834 ( -0.451 0.000 -0.545) 0.707 18.834 ( 0.451 0.000 -0.545) 0.707 28.585 ( -0.210 0.000 0.022) 0.211 28.585 ( 0.210 0.000 0.022) 0.211 28.643 ( -0.330 0.000 -0.022) 0.331 28.643 ( 0.330 0.000 -0.022) 0.331 29.609 ( -1.028 0.000 -1.267) 1.631 29.609 ( 1.028 0.000 -1.267) 1.631 29.957 ( -1.886 0.000 1.197) 2.234 29.957 ( 1.886 0.000 1.197) 2.234 30.501 ( -1.544 0.000 -0.909) 1.791 30.501 ( 1.544 0.000 -0.909) 1.791 30.725 ( -0.270 0.000 -0.285) 0.392 30.725 ( 0.270 0.000 -0.285) 0.392 31.264 ( -1.478 0.000 4.715) 4.941 31.264 ( 1.478 0.000 4.715) 4.941 31.404 ( -2.924 0.000 5.851) 6.541 31.404 ( 2.924 0.000 5.851) 6.541 31.603 ( -0.309 0.000 0.082) 0.319 31.603 ( 0.309 0.000 0.082) 0.319 31.695 ( -2.288 0.000 0.539) 2.350 31.695 ( 2.288 0.000 0.539) 2.350 31.789 ( -0.311 0.000 -0.084) 0.322 31.789 ( 0.311 0.000 -0.084) 0.322 31.841 ( -5.178 0.000 -11.998) 13.068 31.841 ( 5.178 0.000 -11.998) 13.068 34.743 ( -10.616 0.000 4.647) 11.589 34.743 ( 10.616 0.000 4.647) 11.589 35.389 ( -13.363 0.000 -6.737) 14.965 35.389 ( 13.363 0.000 -6.737) 14.965 38.311 ( -5.052 0.000 3.948) 6.412 38.311 ( 5.052 0.000 3.948) 6.412 38.563 ( -5.633 0.000 -1.639) 5.866 38.563 ( 5.633 0.000 -1.639) 5.866 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 26.011 19.829) 32.707 1.367 ( 0.000 12.261 21.994) 25.180 1.702 ( 0.000 31.438 6.533) 32.110 1.886 ( 0.000 9.649 14.060) 17.052 1.965 ( 0.000 5.352 4.502) 6.993 2.005 ( 0.000 11.430 -3.748) 12.029 2.082 ( 0.000 10.488 -16.335) 19.412 2.284 ( 0.000 -3.825 -2.141) 4.384 2.312 ( 0.000 -6.186 -1.370) 6.336 2.357 ( 0.000 -13.389 -21.702) 25.500 2.852 ( 0.000 7.294 1.972) 7.555 2.890 ( 0.000 7.544 0.975) 7.606 3.058 ( 0.000 18.353 14.661) 23.490 3.227 ( 0.000 17.886 -4.288) 18.393 3.385 ( 0.000 8.258 5.888) 10.142 3.684 ( 0.000 13.323 -15.110) 20.144 3.744 ( 0.000 25.483 -3.119) 25.673 3.768 ( 0.000 19.156 -14.162) 23.822 4.261 ( 0.000 8.895 21.631) 23.388 4.619 ( 0.000 6.123 -15.623) 16.780 4.815 ( 0.000 -4.178 13.942) 14.555 4.878 ( 0.000 -3.885 1.740) 4.257 4.969 ( 0.000 -4.310 -2.902) 5.196 5.136 ( 0.000 -5.565 -13.536) 14.635 5.368 ( 0.000 -3.111 8.074) 8.653 5.449 ( 0.000 -0.959 -1.653) 1.911 5.510 ( 0.000 -10.438 12.131) 16.003 5.723 ( 0.000 -11.549 -7.967) 14.031 5.796 ( 0.000 -2.010 4.513) 4.940 5.807 ( 0.000 0.907 0.319) 0.961 6.033 ( 0.000 8.475 -0.107) 8.476 6.044 ( 0.000 4.553 -5.709) 7.302 6.236 ( 0.000 1.162 3.984) 4.150 6.312 ( 0.000 -2.442 -3.342) 4.139 6.432 ( 0.000 6.795 6.511) 9.411 6.546 ( 0.000 4.151 -2.381) 4.786 6.753 ( 0.000 2.384 5.884) 6.349 6.795 ( 0.000 -4.678 1.223) 4.835 6.903 ( 0.000 -0.320 -3.559) 3.574 6.948 ( 0.000 -4.921 -5.084) 7.075 6.999 ( 0.000 -2.016 -3.486) 4.027 7.031 ( 0.000 2.413 -5.067) 5.613 7.172 ( 0.000 1.167 0.114) 1.173 7.201 ( 0.000 -2.995 -4.195) 5.154 7.324 ( 0.000 -0.520 3.971) 4.005 7.421 ( 0.000 -3.124 -6.511) 7.222 7.667 ( 0.000 0.869 6.050) 6.112 7.736 ( 0.000 6.531 -0.899) 6.593 7.917 ( 0.000 -1.911 3.757) 4.215 7.943 ( 0.000 3.921 -0.794) 4.000 8.180 ( 0.000 -5.048 2.878) 5.811 8.239 ( 0.000 -5.428 -5.327) 7.605 8.472 ( 0.000 9.976 6.949) 12.158 8.578 ( 0.000 7.632 -4.089) 8.658 9.076 ( 0.000 -3.108 1.616) 3.503 9.136 ( 0.000 -4.205 -5.193) 6.682 9.427 ( 0.000 -6.712 9.353) 11.512 9.561 ( 0.000 -4.595 -5.384) 7.078 9.916 ( 0.000 -11.097 14.010) 17.873 10.174 ( 0.000 -9.473 -13.337) 16.359 12.053 ( 0.000 -1.322 -0.111) 1.326 12.061 ( 0.000 -1.949 -1.080) 2.228 12.211 ( 0.000 2.770 3.544) 4.498 12.227 ( 0.000 1.792 1.464) 2.314 12.348 ( 0.000 1.694 -0.796) 1.872 12.392 ( 0.000 2.957 -5.395) 6.152 12.702 ( 0.000 -0.317 1.194) 1.235 12.730 ( 0.000 -0.410 -1.952) 1.994 12.853 ( 0.000 -7.546 0.537) 7.565 12.863 ( 0.000 -5.411 -0.507) 5.435 13.098 ( 0.000 3.224 4.534) 5.563 13.163 ( 0.000 0.312 2.982) 2.998 13.170 ( 0.000 5.088 -3.072) 5.944 13.220 ( 0.000 -0.842 -3.124) 3.235 13.687 ( 0.000 -2.383 1.783) 2.977 13.719 ( 0.000 -2.403 -1.630) 2.904 16.696 ( 0.000 0.139 0.146) 0.201 16.697 ( 0.000 -1.237 0.193) 1.252 16.806 ( 0.000 -0.092 1.179) 1.183 16.830 ( 0.000 -0.652 -1.385) 1.530 17.250 ( 0.000 -9.593 0.236) 9.596 17.269 ( 0.000 -8.753 -1.943) 8.966 17.513 ( 0.000 -1.918 0.713) 2.046 17.526 ( 0.000 -2.210 -0.552) 2.278 17.816 ( 0.000 -6.687 0.116) 6.688 17.818 ( 0.000 -6.503 0.134) 6.505 17.993 ( 0.000 7.598 1.608) 7.767 18.025 ( 0.000 6.815 -1.711) 7.027 18.119 ( 0.000 5.923 0.804) 5.978 18.147 ( 0.000 4.126 -2.445) 4.796 18.417 ( 0.000 -5.043 1.828) 5.364 18.443 ( 0.000 -4.847 -0.648) 4.890 18.546 ( 0.000 -3.410 3.398) 4.814 18.589 ( 0.000 -1.535 -0.040) 1.536 18.640 ( 0.000 2.478 1.632) 2.967 18.644 ( 0.000 2.315 0.923) 2.492 18.698 ( 0.000 0.429 -0.939) 1.032 18.699 ( 0.000 0.138 0.961) 0.970 18.792 ( 0.000 2.281 -1.417) 2.685 18.800 ( 0.000 3.218 -1.420) 3.517 28.633 ( 0.000 5.785 0.363) 5.797 28.642 ( 0.000 5.789 -0.554) 5.815 28.762 ( 0.000 8.734 4.702) 9.919 28.913 ( 0.000 13.720 -13.030) 18.922 29.665 ( 0.000 7.816 -0.266) 7.821 29.677 ( 0.000 5.129 -1.279) 5.287 30.220 ( 0.000 1.569 2.158) 2.668 30.272 ( 0.000 -0.028 -3.406) 3.406 30.314 ( 0.000 0.553 0.604) 0.819 30.316 ( 0.000 1.071 0.522) 1.191 30.662 ( 0.000 1.796 3.100) 3.583 30.734 ( 0.000 1.092 -4.817) 4.939 30.851 ( 0.000 -0.583 0.632) 0.860 30.859 ( 0.000 -2.140 0.147) 2.145 31.204 ( 0.000 -2.126 5.880) 6.253 31.282 ( 0.000 -3.715 -2.892) 4.708 31.374 ( 0.000 -2.271 7.378) 7.720 31.424 ( 0.000 -10.306 9.524) 14.033 31.509 ( 0.000 -2.113 -6.938) 7.252 31.594 ( 0.000 -10.930 -7.732) 13.388 31.806 ( 0.000 15.144 1.452) 15.213 31.844 ( 0.000 15.753 -2.961) 16.029 32.089 ( 0.000 14.840 3.474) 15.241 32.184 ( 0.000 10.598 -6.808) 12.596 33.958 ( 0.000 20.431 -2.336) 20.564 33.965 ( 0.000 33.478 -5.278) 33.892 36.588 ( 0.000 -3.460 6.431) 7.303 36.707 ( 0.000 -5.579 -5.987) 8.184 37.674 ( 0.000 -5.909 5.375) 7.988 37.773 ( 0.000 -6.056 -5.156) 7.954 38.836 ( 0.000 -18.010 6.724) 19.224 38.904 ( 0.000 -12.291 -1.693) 12.407 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 1.115 10.854 23.163) 25.604 1.471 ( 10.970 25.288 13.800) 30.826 1.718 ( 2.841 29.609 1.719) 29.795 1.873 ( -7.342 2.059 -5.514) 9.410 1.956 ( 1.790 17.293 0.592) 17.396 2.012 ( 0.583 11.557 -3.642) 12.131 2.078 ( 3.137 -1.003 7.114) 7.839 2.255 ( -0.599 -7.463 4.866) 8.929 2.326 ( 0.614 -4.831 -2.891) 5.663 2.438 ( 6.490 -10.815 -23.455) 26.631 2.841 ( 1.130 5.891 5.644) 8.236 2.949 ( 2.632 8.035 -5.569) 10.124 3.089 ( 2.730 18.219 11.925) 21.945 3.188 ( -3.469 14.937 0.334) 15.339 3.474 ( 8.369 12.243 6.882) 16.349 3.654 ( -3.229 17.652 -1.512) 18.008 3.736 ( -0.669 20.764 -7.199) 21.987 3.812 ( 1.968 15.149 -12.907) 19.999 4.172 ( -8.918 9.300 9.824) 16.203 4.365 ( -24.587 1.635 -3.856) 24.941 4.673 ( -9.020 -1.432 0.806) 9.168 4.772 ( -14.693 -8.225 -7.352) 18.374 4.942 ( -1.766 2.717 3.362) 4.669 5.024 ( -6.880 1.637 -5.683) 9.073 5.270 ( -6.985 -1.709 2.744) 7.696 5.342 ( -8.085 1.163 -3.663) 8.952 5.472 ( -1.114 -8.301 15.517) 17.633 5.648 ( -3.666 -4.858 -2.885) 6.736 5.843 ( -3.480 2.019 8.394) 9.308 5.938 ( 5.576 -2.680 0.298) 6.194 5.968 ( -3.246 8.103 -0.927) 8.778 6.052 ( 3.629 -5.940 -8.092) 10.674 6.152 ( -6.462 -2.216 4.431) 8.143 6.269 ( -8.316 -5.304 -7.642) 12.478 6.526 ( 5.073 3.911 4.060) 7.584 6.593 ( -2.493 5.209 2.007) 6.114 6.616 ( 3.927 -4.032 -0.659) 5.667 6.712 ( 0.168 4.965 -3.318) 5.974 6.805 ( 0.822 4.788 5.606) 7.418 6.972 ( -0.776 -3.079 0.383) 3.199 6.994 ( 2.412 5.735 -8.778) 10.759 7.095 ( 0.997 -5.253 -6.826) 8.671 7.234 ( 5.651 -3.651 2.179) 7.072 7.296 ( 4.365 -10.659 -3.971) 12.183 7.567 ( 4.303 2.789 0.479) 5.150 7.604 ( 7.165 0.284 -3.464) 7.963 7.737 ( 8.741 -3.315 7.108) 11.743 7.790 ( -0.566 -0.766 2.167) 2.367 7.859 ( 6.522 2.772 3.998) 8.136 7.920 ( 5.125 4.987 -2.022) 7.432 8.145 ( -4.331 -1.711 4.529) 6.496 8.235 ( -2.696 -5.054 -6.232) 8.464 8.439 ( -3.173 8.203 5.605) 10.429 8.529 ( -4.602 6.776 -3.605) 8.949 8.994 ( -8.779 -0.330 0.585) 8.804 9.028 ( -10.493 -3.940 -2.872) 11.570 9.539 ( 11.304 -4.286 9.397) 15.312 9.647 ( 11.821 -6.364 -2.553) 13.665 10.025 ( 8.455 -11.246 9.458) 16.953 10.246 ( 6.515 -12.697 -13.508) 19.650 12.054 ( 0.006 -2.614 0.178) 2.620 12.061 ( 0.004 -2.719 -0.680) 2.803 12.206 ( -0.437 1.948 2.900) 3.521 12.225 ( -0.189 2.143 1.043) 2.391 12.348 ( 0.108 3.489 -1.009) 3.634 12.377 ( -1.194 3.402 -4.222) 5.552 12.667 ( -2.614 -0.233 0.522) 2.676 12.685 ( -2.789 -0.617 -1.597) 3.273 12.920 ( 4.743 -4.551 0.278) 6.579 12.927 ( 4.834 -5.076 -0.509) 7.028 13.063 ( -2.324 1.923 3.222) 4.414 13.100 ( -2.411 2.161 -0.537) 3.282 13.232 ( 2.474 1.087 0.105) 2.704 13.249 ( 1.981 -0.774 -1.764) 2.764 13.668 ( -1.854 -2.361 1.616) 3.410 13.697 ( -2.158 -2.438 -1.490) 3.580 16.675 ( 0.420 0.404 1.947) 2.033 16.719 ( 0.975 -0.104 -2.413) 2.604 16.849 ( 2.660 -1.700 0.560) 3.206 16.859 ( 2.256 -2.100 -0.469) 3.118 17.235 ( -0.621 -7.250 0.525) 7.296 17.269 ( -0.121 -7.307 -3.025) 7.909 17.501 ( -1.171 -1.893 0.803) 2.366 17.515 ( -1.003 -2.406 -0.657) 2.688 17.828 ( 1.582 -6.761 1.207) 7.048 17.838 ( 1.214 -5.475 0.234) 5.613 17.974 ( -1.180 6.064 0.482) 6.196 17.994 ( -2.399 6.074 -1.588) 6.721 18.134 ( 0.622 5.568 0.590) 5.634 18.157 ( 0.093 4.089 -2.031) 4.566 18.369 ( -3.767 -6.519 2.536) 7.945 18.405 ( -3.305 -6.439 -1.392) 7.370 18.541 ( -0.273 -2.414 3.206) 4.022 18.579 ( -0.747 -1.486 -0.013) 1.663 18.642 ( 0.827 3.463 1.982) 4.075 18.653 ( 0.435 2.961 -0.145) 2.996 18.688 ( 0.000 3.342 1.840) 3.815 18.748 ( 1.675 2.096 -2.636) 3.762 18.781 ( -0.790 2.071 0.027) 2.217 18.792 ( 0.476 1.021 -0.980) 1.493 28.632 ( -0.035 5.513 0.467) 5.533 28.642 ( 0.026 5.563 -0.576) 5.593 28.760 ( -0.084 9.044 3.698) 9.771 28.872 ( -3.292 13.476 -8.850) 16.455 29.669 ( 0.625 8.198 0.733) 8.255 29.693 ( 1.109 5.873 -1.886) 6.267 29.988 ( -8.680 1.448 2.847) 9.249 30.055 ( -8.252 1.853 -4.143) 9.418 30.468 ( 3.014 -1.043 2.670) 4.159 30.515 ( 4.376 -0.954 -2.375) 5.069 30.707 ( 1.744 -1.544 1.568) 2.808 30.737 ( -0.477 -2.241 -1.569) 2.777 30.927 ( 9.541 -3.499 3.969) 10.911 31.021 ( 11.676 -5.023 -5.862) 13.997 31.235 ( 2.361 -1.629 6.260) 6.886 31.273 ( 0.029 -5.179 2.266) 5.653 31.408 ( 4.317 -4.137 6.841) 9.086 31.496 ( 5.213 -5.760 2.005) 8.023 31.530 ( 3.138 -3.490 -5.734) 7.409 31.599 ( 0.744 -7.674 -6.490) 10.078 31.820 ( 1.505 14.761 0.894) 14.865 31.856 ( 1.274 15.155 -3.207) 15.543 32.082 ( -0.677 14.802 3.211) 15.162 32.169 ( -1.506 10.903 -6.210) 12.637 34.072 ( 12.838 20.855 0.441) 24.493 34.149 ( 17.259 25.928 -8.868) 32.385 36.275 ( -26.077 -0.507 12.036) 28.725 36.481 ( -22.235 -2.132 -10.717) 24.775 37.804 ( 11.294 -7.604 5.915) 14.844 37.911 ( 11.135 -7.034 -5.456) 14.256 38.729 ( -9.653 -15.266 8.461) 19.946 38.825 ( -7.551 -11.525 -2.977) 14.097 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 9.318 4.027 14.535) 17.728 1.664 ( 3.902 12.317 -3.666) 13.430 1.763 ( 2.913 11.056 5.169) 12.547 1.809 ( 5.263 21.398 0.395) 22.039 1.990 ( 0.109 14.880 0.114) 14.881 2.015 ( -0.713 12.785 -2.975) 13.146 2.192 ( -1.843 -8.831 7.377) 11.654 2.225 ( 8.174 -3.718 14.515) 17.068 2.331 ( -0.514 -6.826 -6.551) 9.475 2.610 ( 11.490 -5.218 -21.312) 24.768 2.876 ( -1.573 4.726 6.233) 7.978 2.948 ( -1.284 8.728 -1.835) 9.011 3.098 ( -3.122 14.762 3.109) 15.406 3.156 ( 1.341 8.431 -4.309) 9.562 3.583 ( -16.183 12.325 10.317) 22.809 3.592 ( -4.043 15.865 3.217) 16.685 3.625 ( -4.931 11.054 2.773) 12.418 3.706 ( -4.342 17.993 -5.382) 19.276 3.918 ( -10.382 5.630 2.647) 12.103 4.090 ( 0.620 5.089 -11.404) 12.503 4.478 ( -6.192 2.508 1.268) 6.800 4.581 ( -6.162 1.108 -7.690) 9.916 4.856 ( -5.341 3.673 2.483) 6.941 4.904 ( -6.222 2.573 -3.259) 7.480 5.178 ( -2.143 4.043 2.737) 5.332 5.223 ( -4.066 5.459 -0.230) 6.811 5.480 ( 1.742 -5.718 7.648) 9.707 5.596 ( -1.606 -3.503 -3.036) 4.906 5.702 ( -7.162 -0.315 5.767) 9.201 5.838 ( -8.125 2.104 -7.428) 11.208 6.014 ( -3.409 0.378 2.485) 4.236 6.044 ( -4.603 -1.084 -1.545) 4.975 6.081 ( -2.271 -2.347 3.022) 4.449 6.116 ( 1.249 -6.461 0.763) 6.625 6.586 ( 3.850 -2.563 -2.349) 5.188 6.633 ( 1.758 0.483 -7.002) 7.236 6.762 ( 8.004 -3.533 2.874) 9.209 6.814 ( 4.224 -4.541 -2.379) 6.643 6.841 ( 3.667 5.806 8.612) 11.014 6.956 ( -1.805 -1.279 -1.937) 2.940 7.030 ( 2.317 0.918 0.543) 2.551 7.100 ( 0.224 2.650 -5.595) 6.195 7.361 ( 5.845 -3.466 1.001) 6.869 7.420 ( 10.242 -3.209 -5.564) 12.089 7.576 ( -0.965 1.737 2.599) 3.272 7.616 ( -1.674 3.737 -1.276) 4.289 7.705 ( -2.134 1.295 4.057) 4.764 7.740 ( -1.126 1.437 0.225) 1.840 7.972 ( -8.895 -2.303 5.811) 10.872 8.042 ( -10.469 -5.650 -2.511) 12.158 8.133 ( 8.002 -1.659 3.319) 8.821 8.217 ( 8.029 -1.540 -4.539) 9.351 8.404 ( 1.132 6.044 3.484) 7.067 8.444 ( -2.523 2.488 -1.547) 3.866 8.781 ( -9.864 3.663 1.545) 10.635 8.814 ( -10.954 3.809 -1.685) 11.720 9.822 ( 15.963 -7.700 9.087) 19.917 9.957 ( 15.844 -11.700 -5.522) 20.456 10.164 ( 5.310 -9.963 8.155) 13.927 10.352 ( 2.437 -13.249 -11.444) 17.676 12.054 ( 0.046 -4.409 0.652) 4.458 12.060 ( -0.145 -4.109 0.007) 4.111 12.199 ( -0.165 0.916 1.487) 1.755 12.218 ( -0.669 1.398 -0.216) 1.564 12.355 ( 0.540 6.484 -1.103) 6.599 12.363 ( -0.114 5.637 -2.045) 5.997 12.626 ( -1.401 0.797 -0.004) 1.612 12.642 ( -1.773 0.471 -1.947) 2.675 12.962 ( -0.880 -1.649 1.013) 2.126 12.968 ( -0.934 -1.531 0.259) 1.812 13.082 ( 4.824 -1.277 2.028) 5.386 13.117 ( 3.963 -0.377 -1.449) 4.237 13.254 ( -0.229 -1.821 0.353) 1.869 13.269 ( -0.207 -2.066 -1.352) 2.477 13.628 ( -1.867 -2.005 1.075) 2.943 13.647 ( -2.628 -2.168 -1.001) 3.551 16.714 ( 3.187 -0.440 1.481) 3.541 16.751 ( 2.345 -0.557 -2.151) 3.231 16.861 ( -1.194 -2.183 0.976) 2.673 16.881 ( -0.834 -2.721 -1.147) 3.068 17.245 ( 1.628 -5.029 -0.019) 5.286 17.274 ( 0.681 -5.398 -3.046) 6.236 17.477 ( -1.030 -1.275 0.728) 1.793 17.492 ( -1.324 -1.962 -0.814) 2.503 17.849 ( 0.634 -2.873 1.347) 3.236 17.871 ( 1.433 -3.864 -0.671) 4.176 17.950 ( -0.495 3.025 0.821) 3.173 17.976 ( 0.552 1.042 -1.698) 2.067 18.115 ( -2.609 3.668 -0.023) 4.501 18.125 ( -3.192 2.601 -1.351) 4.334 18.322 ( -0.647 -5.830 2.345) 6.317 18.350 ( -1.831 -6.490 -0.725) 6.782 18.540 ( 0.232 -1.063 2.399) 2.634 18.565 ( -0.697 -0.526 0.043) 0.874 18.647 ( -0.821 4.026 -0.174) 4.113 18.654 ( -1.161 3.628 -1.004) 3.939 18.686 ( 1.261 5.024 3.980) 6.532 18.740 ( -0.988 5.513 -0.710) 5.646 18.804 ( 1.934 -0.133 -0.192) 1.948 18.819 ( 1.511 0.062 -1.126) 1.885 28.633 ( 0.098 5.012 0.474) 5.035 28.641 ( -0.189 5.018 -0.312) 5.031 28.763 ( 0.464 9.863 1.467) 9.983 28.814 ( -2.386 12.184 -4.035) 13.054 29.685 ( 0.866 9.270 0.541) 9.326 29.705 ( 0.051 7.391 -1.691) 7.582 29.908 ( -0.497 -1.191 3.032) 3.295 29.967 ( -2.140 -0.784 -2.907) 3.694 30.481 ( -0.025 -0.504 2.183) 2.240 30.530 ( -1.363 -0.323 -2.907) 3.227 30.712 ( -0.294 -1.954 0.328) 2.003 30.721 ( -0.856 -2.261 -0.569) 2.484 31.096 ( 6.360 -7.547 4.419) 10.814 31.169 ( 4.585 -7.317 -2.438) 8.972 31.238 ( -1.226 -8.227 7.072) 10.918 31.285 ( -0.212 -5.617 2.131) 6.011 31.529 ( 4.402 -3.689 1.791) 6.016 31.549 ( 3.275 -4.472 1.110) 5.653 31.619 ( 2.157 -1.529 -4.645) 5.345 31.647 ( 4.279 -2.220 -4.338) 6.485 31.862 ( 2.704 13.464 0.316) 13.737 31.893 ( 2.205 12.541 -2.991) 13.080 32.068 ( -0.523 14.776 1.820) 14.897 32.128 ( -2.547 11.743 -4.626) 12.876 34.429 ( 22.768 14.229 4.912) 27.294 34.571 ( 23.996 15.856 -10.463) 30.605 35.738 ( -26.788 4.906 11.354) 29.505 35.959 ( -29.391 3.230 -12.355) 32.045 38.030 ( 11.203 -8.970 5.958) 15.539 38.128 ( 10.346 -8.164 -4.101) 13.802 38.528 ( -9.798 -11.724 8.090) 17.288 38.643 ( -10.538 -10.199 -4.560) 15.358 ======================= Grid point 136 (48/60) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -6.509 -1.803 9.336) 11.523 1.638 ( 6.509 -1.803 9.336) 11.523 1.858 ( -1.863 17.738 3.413) 18.160 1.858 ( 1.863 17.738 3.413) 18.160 1.986 ( -1.098 11.418 -1.825) 11.615 1.986 ( 1.098 11.418 -1.825) 11.615 2.199 ( -5.985 -3.324 -5.958) 9.076 2.199 ( 5.985 -3.324 -5.958) 9.076 2.588 ( -20.012 -1.022 10.940) 22.830 2.588 ( 20.012 -1.022 10.940) 22.830 2.883 ( -12.266 3.022 -16.326) 20.643 2.883 ( 12.266 3.022 -16.326) 20.643 3.100 ( -8.209 4.321 5.760) 10.920 3.100 ( 8.209 4.321 5.760) 10.920 3.402 ( -8.065 14.966 -1.510) 17.068 3.402 ( 8.065 14.966 -1.510) 17.068 3.628 ( -3.107 18.073 -0.571) 18.347 3.628 ( 3.107 18.073 -0.571) 18.347 4.011 ( -8.575 3.351 9.016) 12.887 4.011 ( 8.575 3.351 9.016) 12.887 4.484 ( -4.222 6.364 -8.194) 11.201 4.484 ( 4.222 6.364 -8.194) 11.201 4.814 ( -1.706 2.887 -0.937) 3.482 4.814 ( 1.706 2.887 -0.937) 3.482 5.172 ( -1.281 6.711 2.254) 7.195 5.172 ( 1.281 6.711 2.254) 7.195 5.537 ( -4.054 -4.073 1.413) 5.918 5.537 ( 4.054 -4.073 1.413) 5.918 5.688 ( -5.423 -0.632 -3.980) 6.757 5.688 ( 5.423 -0.632 -3.980) 6.757 5.970 ( -0.947 3.091 0.832) 3.338 5.970 ( 0.947 3.091 0.832) 3.338 6.112 ( -1.489 -5.513 4.453) 7.241 6.112 ( 1.489 -5.513 4.453) 7.241 6.638 ( -1.284 -2.502 -6.008) 6.634 6.638 ( 1.284 -2.502 -6.008) 6.634 6.842 ( -0.834 -3.676 1.191) 3.953 6.842 ( 0.834 -3.676 1.191) 3.953 6.905 ( -2.608 -3.975 1.831) 5.094 6.905 ( 2.608 -3.975 1.831) 5.094 7.094 ( -2.199 6.542 -0.295) 6.908 7.094 ( 2.199 6.542 -0.295) 6.908 7.486 ( -6.662 1.035 5.206) 8.518 7.486 ( 6.662 1.035 5.206) 8.518 7.593 ( -4.693 3.675 -5.197) 7.908 7.593 ( 4.693 3.675 -5.197) 7.908 7.746 ( -5.241 -1.235 2.007) 5.747 7.746 ( 5.241 -1.235 2.007) 5.747 7.831 ( -5.224 -5.543 -2.030) 7.883 7.831 ( 5.224 -5.543 -2.030) 7.883 8.228 ( -4.449 -1.441 -1.468) 4.901 8.228 ( 4.449 -1.441 -1.468) 4.901 8.458 ( -2.234 1.938 4.600) 5.468 8.458 ( 2.234 1.938 4.600) 5.468 8.677 ( -0.695 6.249 -1.201) 6.401 8.677 ( 0.695 6.249 -1.201) 6.401 10.057 ( -6.291 -12.383 4.875) 14.720 10.057 ( 6.291 -12.383 4.875) 14.720 10.298 ( -7.673 -10.162 -4.898) 13.643 10.298 ( 7.673 -10.162 -4.898) 13.643 12.056 ( -0.200 -4.814 0.582) 4.854 12.056 ( 0.200 -4.814 0.582) 4.854 12.203 ( -0.606 0.602 -0.013) 0.854 12.203 ( 0.606 0.602 -0.013) 0.854 12.363 ( -0.174 7.439 -1.145) 7.528 12.363 ( 0.174 7.439 -1.145) 7.528 12.618 ( -0.558 1.152 -1.071) 1.670 12.618 ( 0.558 1.152 -1.071) 1.670 12.949 ( -0.224 -1.295 0.906) 1.596 12.949 ( 0.224 -1.295 0.906) 1.596 13.164 ( -1.566 0.630 0.605) 1.793 13.164 ( 1.566 0.630 0.605) 1.793 13.247 ( -1.041 -4.918 -1.032) 5.132 13.247 ( 1.041 -4.918 -1.032) 5.132 13.613 ( -0.583 -1.681 0.023) 1.779 13.613 ( 0.583 -1.681 0.023) 1.779 16.774 ( -1.815 -2.380 0.586) 3.050 16.774 ( 1.815 -2.380 0.586) 3.050 16.845 ( -1.462 -0.814 -1.114) 2.011 16.845 ( 1.462 -0.814 -1.114) 2.011 17.276 ( -0.938 -5.124 -1.414) 5.398 17.276 ( 0.938 -5.124 -1.414) 5.398 17.471 ( -0.559 -0.995 -0.208) 1.160 17.471 ( 0.559 -0.995 -0.208) 1.160 17.866 ( -1.096 -0.081 -0.197) 1.116 17.866 ( 1.096 -0.081 -0.197) 1.116 17.978 ( -1.489 -2.431 -0.061) 2.851 17.978 ( 1.489 -2.431 -0.061) 2.851 18.076 ( -0.310 2.136 -0.797) 2.301 18.076 ( 0.310 2.136 -0.797) 2.301 18.328 ( -0.762 -4.847 0.992) 5.006 18.328 ( 0.762 -4.847 0.992) 5.006 18.551 ( -0.755 -0.210 0.933) 1.218 18.551 ( 0.755 -0.210 0.933) 1.218 18.636 ( -0.224 3.941 -0.496) 3.978 18.636 ( 0.224 3.941 -0.496) 3.978 18.717 ( -1.498 5.360 2.409) 6.065 18.717 ( 1.498 5.360 2.409) 6.065 18.830 ( -0.507 0.040 -1.262) 1.361 18.830 ( 0.507 0.040 -1.262) 1.361 28.636 ( -0.241 4.745 0.170) 4.755 28.636 ( 0.241 4.745 0.170) 4.755 28.780 ( -1.288 10.919 -1.058) 11.046 28.780 ( 1.288 10.919 -1.058) 11.046 29.699 ( -0.588 8.818 -0.726) 8.867 29.699 ( 0.588 8.818 -0.726) 8.867 29.931 ( -1.974 -2.104 1.201) 3.125 29.931 ( 1.974 -2.104 1.201) 3.125 30.495 ( -1.590 -0.527 -0.968) 1.935 30.495 ( 1.590 -0.527 -0.968) 1.935 30.710 ( -0.208 -1.678 -0.177) 1.700 30.710 ( 0.208 -1.678 -0.177) 1.700 31.181 ( -2.926 -6.348 4.336) 8.226 31.181 ( 2.926 -6.348 4.336) 8.226 31.254 ( -2.609 -10.069 0.770) 10.430 31.254 ( 2.609 -10.069 0.770) 10.430 31.574 ( -1.288 -2.325 3.070) 4.060 31.574 ( 1.288 -2.325 3.070) 4.060 31.667 ( -1.877 -0.628 -5.618) 5.957 31.667 ( 1.877 -0.628 -5.618) 5.957 31.908 ( -1.229 11.277 -0.345) 11.349 31.908 ( 1.229 11.277 -0.345) 11.349 32.080 ( -1.994 13.508 -1.934) 13.791 32.080 ( 1.994 13.508 -1.934) 13.791 34.821 ( -9.275 8.209 3.380) 12.839 34.821 ( 9.275 8.209 3.380) 12.839 35.484 ( -11.370 9.095 -6.417) 15.912 35.484 ( 11.370 9.095 -6.417) 15.912 38.210 ( -5.367 -9.391 4.686) 11.788 38.210 ( 5.367 -9.391 4.686) 11.788 38.459 ( -6.107 -9.638 -2.254) 11.631 38.459 ( 6.107 -9.638 -2.254) 11.631 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.000 2.078 18.494) 18.611 1.582 ( 0.000 0.281 24.626) 24.627 1.818 ( 0.000 -7.764 -7.909) 11.083 1.952 ( 0.000 -7.744 -1.465) 7.881 2.083 ( 0.000 5.068 0.861) 5.140 2.167 ( 0.000 12.001 -10.834) 16.168 2.307 ( 0.000 13.950 -16.832) 21.862 2.439 ( 0.000 14.260 -14.585) 20.398 2.626 ( 0.000 33.938 4.810) 34.277 2.674 ( 0.000 29.079 -0.354) 29.081 3.077 ( 0.000 15.851 2.968) 16.126 3.115 ( 0.000 15.299 -1.837) 15.409 3.495 ( 0.000 22.233 12.548) 25.530 3.607 ( 0.000 18.579 -3.573) 18.919 3.631 ( 0.000 15.009 11.775) 19.077 3.961 ( 0.000 13.637 -17.701) 22.345 4.246 ( 0.000 22.683 -0.530) 22.689 4.287 ( 0.000 24.462 -4.001) 24.787 4.504 ( 0.000 11.979 16.806) 20.638 4.702 ( 0.000 -6.366 -3.234) 7.140 4.730 ( 0.000 -1.798 8.582) 8.769 4.756 ( 0.000 0.091 -1.385) 1.388 4.806 ( 0.000 -10.683 -0.037) 10.683 4.980 ( 0.000 -7.442 -9.709) 12.233 5.334 ( 0.000 -4.760 4.635) 6.644 5.409 ( 0.000 5.012 7.792) 9.265 5.417 ( 0.000 -3.637 -0.307) 3.650 5.503 ( 0.000 -6.889 -4.039) 7.986 5.729 ( 0.000 -3.377 4.208) 5.395 5.805 ( 0.000 -1.682 -5.579) 5.827 6.101 ( 0.000 -8.324 3.662) 9.094 6.167 ( 0.000 -2.470 1.748) 3.026 6.264 ( 0.000 7.586 -5.374) 9.297 6.277 ( 0.000 6.062 -4.224) 7.389 6.467 ( 0.000 -9.220 9.303) 13.098 6.504 ( 0.000 1.416 6.886) 7.030 6.710 ( 0.000 -11.628 -5.576) 12.896 6.743 ( 0.000 0.322 -6.373) 6.381 6.891 ( 0.000 -5.206 0.216) 5.211 6.905 ( 0.000 2.668 -2.463) 3.631 6.962 ( 0.000 -2.301 -1.047) 2.528 6.969 ( 0.000 1.313 -0.738) 1.506 7.216 ( 0.000 1.250 -1.152) 1.700 7.263 ( 0.000 -0.204 0.720) 0.749 7.351 ( 0.000 6.822 -5.616) 8.836 7.390 ( 0.000 1.376 -4.242) 4.459 7.576 ( 0.000 -7.396 5.757) 9.373 7.701 ( 0.000 -10.443 -5.047) 11.599 7.933 ( 0.000 2.362 6.177) 6.614 7.991 ( 0.000 -4.023 0.577) 4.064 8.164 ( 0.000 6.462 -2.321) 6.866 8.170 ( 0.000 -0.402 -3.404) 3.428 8.649 ( 0.000 6.842 4.243) 8.051 8.685 ( 0.000 3.008 -0.158) 3.012 9.011 ( 0.000 -2.336 1.791) 2.944 9.038 ( 0.000 -4.292 0.271) 4.300 9.287 ( 0.000 -5.836 8.490) 10.302 9.447 ( 0.000 -6.055 -7.732) 9.821 9.681 ( 0.000 -11.430 14.439) 18.415 9.950 ( 0.000 -12.621 -14.009) 18.855 12.025 ( 0.000 -1.409 -0.290) 1.438 12.034 ( 0.000 -0.419 -1.143) 1.217 12.228 ( 0.000 -1.536 3.373) 3.706 12.254 ( 0.000 0.202 1.775) 1.787 12.389 ( 0.000 2.758 1.070) 2.958 12.478 ( 0.000 4.612 -7.249) 8.592 12.651 ( 0.000 -6.371 0.765) 6.417 12.679 ( 0.000 -5.420 -2.304) 5.889 12.773 ( 0.000 2.278 2.176) 3.150 12.800 ( 0.000 0.519 -0.758) 0.918 13.139 ( 0.000 1.378 2.593) 2.937 13.186 ( 0.000 -1.300 -2.796) 3.083 13.199 ( 0.000 2.607 3.902) 4.693 13.272 ( 0.000 3.814 -3.454) 5.145 13.609 ( 0.000 -5.213 2.140) 5.635 13.644 ( 0.000 -4.869 -1.505) 5.097 16.682 ( 0.000 0.338 0.649) 0.732 16.701 ( 0.000 0.553 -1.201) 1.322 16.818 ( 0.000 1.096 1.188) 1.617 16.833 ( 0.000 1.141 -0.609) 1.293 17.089 ( 0.000 -5.425 0.869) 5.494 17.135 ( 0.000 -4.140 -4.399) 6.041 17.469 ( 0.000 -2.661 0.265) 2.674 17.473 ( 0.000 -3.153 0.015) 3.153 17.712 ( 0.000 -3.173 0.299) 3.187 17.729 ( 0.000 -1.519 -1.969) 2.487 18.066 ( 0.000 -0.034 0.345) 0.346 18.087 ( 0.000 -0.272 -1.685) 1.707 18.200 ( 0.000 1.154 0.250) 1.181 18.200 ( 0.000 0.439 0.018) 0.439 18.359 ( 0.000 -0.257 2.624) 2.637 18.383 ( 0.000 -1.035 -0.046) 1.036 18.488 ( 0.000 -1.921 4.833) 5.200 18.567 ( 0.000 -0.017 -3.433) 3.433 18.667 ( 0.000 -0.839 1.829) 2.012 18.693 ( 0.000 -0.086 0.296) 0.309 18.707 ( 0.000 2.183 -0.202) 2.192 18.715 ( 0.000 2.239 0.543) 2.304 18.849 ( 0.000 2.861 -0.072) 2.862 18.864 ( 0.000 2.784 -1.310) 3.077 28.782 ( 0.000 8.118 0.335) 8.124 28.789 ( 0.000 8.017 -0.298) 8.022 28.920 ( 0.000 6.155 4.974) 7.913 29.068 ( 0.000 3.185 -10.935) 11.389 29.808 ( 0.000 7.470 0.128) 7.471 29.822 ( 0.000 6.896 -1.705) 7.104 30.249 ( 0.000 0.972 0.507) 1.096 30.267 ( 0.000 -0.570 -1.401) 1.512 30.328 ( 0.000 0.812 1.837) 2.008 30.341 ( 0.000 1.225 0.276) 1.256 30.697 ( 0.000 0.685 1.214) 1.394 30.712 ( 0.000 -5.412 0.081) 5.413 30.827 ( 0.000 0.769 -0.138) 0.781 30.846 ( 0.000 0.122 -1.562) 1.567 31.169 ( 0.000 -1.198 3.662) 3.853 31.220 ( 0.000 -2.462 -2.087) 3.227 31.234 ( 0.000 -5.427 3.211) 6.306 31.316 ( 0.000 -10.466 -5.628) 11.883 31.404 ( 0.000 1.984 8.563) 8.790 31.559 ( 0.000 1.560 -7.473) 7.634 32.047 ( 0.000 7.405 1.072) 7.482 32.054 ( 0.000 5.113 0.496) 5.137 32.329 ( 0.000 3.534 0.646) 3.593 32.329 ( 0.000 7.959 0.477) 7.974 34.550 ( 0.000 35.351 7.211) 36.079 34.783 ( 0.000 41.850 -19.509) 46.174 36.509 ( 0.000 -3.612 4.272) 5.594 36.584 ( 0.000 -5.630 -3.427) 6.591 37.548 ( 0.000 -5.705 3.807) 6.859 37.632 ( 0.000 -7.005 -4.866) 8.529 38.440 ( 0.000 -19.478 11.784) 22.765 38.587 ( 0.000 -17.677 -5.050) 18.384 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -2.672 1.216 20.779) 20.986 1.689 ( 9.354 -2.023 17.234) 19.713 1.822 ( -0.373 -4.024 -6.081) 7.301 1.932 ( -2.845 -6.577 0.597) 7.191 2.034 ( -3.314 1.871 2.204) 4.398 2.141 ( -3.499 12.758 -13.113) 18.627 2.327 ( -3.749 16.077 -6.205) 17.636 2.404 ( 7.241 7.643 -21.606) 24.035 2.642 ( 0.516 31.515 2.816) 31.644 2.675 ( 0.145 28.036 -0.504) 28.041 3.041 ( -1.522 15.635 5.933) 16.791 3.152 ( 1.734 12.952 -6.235) 14.478 3.453 ( -8.128 13.942 6.171) 17.278 3.480 ( -3.847 15.914 2.997) 16.644 3.774 ( 5.566 14.221 7.173) 16.873 3.954 ( -1.989 11.069 -7.688) 13.623 4.211 ( -4.591 21.862 0.912) 22.357 4.251 ( -5.554 22.034 -0.326) 22.725 4.346 ( -20.123 -0.314 5.287) 20.808 4.388 ( -10.253 7.871 -0.694) 12.944 4.666 ( -5.913 3.178 1.674) 6.918 4.724 ( -3.194 3.338 -2.311) 5.165 4.942 ( 4.215 -3.195 -0.588) 5.322 4.949 ( -4.095 -6.480 -2.396) 8.032 5.285 ( -4.438 2.159 8.259) 9.622 5.320 ( 0.167 -3.155 6.538) 7.262 5.411 ( -1.928 3.239 -1.971) 4.254 5.525 ( 1.276 -6.281 -4.810) 8.014 5.790 ( 2.692 -3.762 6.352) 7.858 5.877 ( 4.011 -3.163 -3.594) 6.246 5.967 ( -6.753 -4.800 3.614) 9.039 6.099 ( -11.363 -4.957 -10.277) 16.103 6.207 ( -2.562 7.903 1.649) 8.470 6.228 ( -3.611 7.298 -1.640) 8.306 6.456 ( 0.355 -9.141 6.655) 11.313 6.577 ( 4.367 -0.542 0.887) 4.489 6.634 ( -2.855 -1.980 -2.422) 4.235 6.678 ( -3.718 -6.153 -8.128) 10.851 6.871 ( 0.431 -1.342 4.139) 4.373 6.926 ( -2.152 1.505 -0.424) 2.659 6.974 ( 4.642 -3.173 2.142) 6.017 7.048 ( 7.416 -2.501 -5.461) 9.543 7.222 ( 2.920 2.214 -2.778) 4.599 7.241 ( -0.399 3.096 -5.831) 6.614 7.503 ( 2.266 -9.507 8.568) 12.997 7.598 ( 8.978 -2.373 -1.296) 9.376 7.687 ( 12.623 -0.717 -1.587) 12.742 7.718 ( 5.270 -6.162 -3.260) 8.740 7.888 ( -1.491 0.686 3.962) 4.288 7.941 ( -2.630 -2.171 -1.344) 3.665 8.168 ( -0.413 2.813 1.093) 3.046 8.215 ( 0.205 4.356 -3.346) 5.496 8.585 ( -5.825 4.950 4.069) 8.660 8.614 ( -6.737 1.943 0.521) 7.031 8.934 ( -3.203 -3.496 2.989) 5.605 8.991 ( -4.922 -0.287 -3.563) 6.083 9.433 ( 11.391 -5.859 9.629) 16.025 9.507 ( 6.463 -6.470 1.692) 9.300 9.782 ( 7.663 -11.309 5.085) 14.576 9.971 ( 3.841 -13.788 -13.328) 19.558 12.003 ( -1.631 -1.987 0.504) 2.620 12.019 ( -1.408 -1.320 -1.172) 2.258 12.222 ( -1.092 -0.926 2.660) 3.021 12.244 ( -0.804 -0.696 0.619) 1.231 12.424 ( 3.243 3.878 -0.274) 5.063 12.456 ( -0.496 3.520 -3.501) 4.989 12.665 ( 0.513 -0.635 -0.430) 0.922 12.675 ( -0.416 -0.185 -1.196) 1.280 12.832 ( 5.445 -2.768 0.960) 6.183 12.850 ( 4.608 -1.620 -0.714) 4.937 13.094 ( -3.717 1.247 2.448) 4.622 13.125 ( -3.544 0.928 -0.978) 3.792 13.239 ( 1.084 -0.212 0.842) 1.388 13.272 ( -0.480 2.193 -2.173) 3.124 13.594 ( -1.378 -4.811 1.830) 5.329 13.623 ( -1.897 -4.640 -1.285) 5.174 16.687 ( 0.765 0.889 1.250) 1.714 16.717 ( 1.274 0.215 -1.658) 2.102 16.825 ( 0.350 -0.449 0.874) 1.043 16.838 ( 0.394 0.269 -0.557) 0.733 17.105 ( 1.555 -4.720 0.397) 4.986 17.146 ( 1.013 -4.015 -4.193) 5.893 17.459 ( -0.808 -2.352 0.450) 2.527 17.467 ( -0.581 -2.623 -0.178) 2.692 17.731 ( 1.902 -2.593 0.603) 3.272 17.747 ( 1.779 -2.528 -0.941) 3.231 18.034 ( -2.800 -0.166 0.719) 2.896 18.062 ( -2.810 -0.010 -2.183) 3.559 18.178 ( -1.665 -0.864 1.385) 2.332 18.203 ( -0.919 0.368 -1.307) 1.640 18.322 ( -2.473 1.122 1.620) 3.162 18.338 ( -3.374 -0.171 -0.174) 3.383 18.498 ( 0.884 -1.273 4.103) 4.386 18.557 ( -0.224 -0.204 -1.964) 1.987 18.691 ( 0.535 1.032 1.617) 1.991 18.699 ( 1.011 -0.128 0.535) 1.151 18.734 ( 3.108 1.998 0.971) 3.820 18.760 ( 3.046 0.483 -0.842) 3.197 18.834 ( -1.174 2.843 -0.111) 3.078 18.848 ( -1.182 3.123 -1.378) 3.612 28.775 ( -0.594 7.821 0.489) 7.859 28.783 ( -0.572 7.687 -0.221) 7.711 28.928 ( 0.807 6.618 3.800) 7.674 29.050 ( -1.664 4.555 -9.116) 10.325 29.815 ( 0.827 6.027 0.862) 6.144 29.840 ( 1.701 6.197 -1.952) 6.717 30.063 ( -8.711 5.714 2.997) 10.840 30.123 ( -7.684 4.583 -3.399) 9.570 30.432 ( 3.359 -2.361 2.398) 4.755 30.474 ( 4.793 -3.033 -2.156) 6.068 30.689 ( -0.592 -0.327 1.139) 1.325 30.712 ( -2.919 -0.175 -1.420) 3.251 30.832 ( 5.059 -5.694 6.336) 9.908 30.944 ( 5.525 -3.503 -5.650) 8.644 31.155 ( -1.858 -3.284 2.987) 4.813 31.199 ( 0.830 -3.249 -0.625) 3.411 31.332 ( 6.613 -3.958 2.852) 8.217 31.374 ( 5.372 -5.055 -1.507) 7.528 31.462 ( 6.231 -0.104 3.654) 7.224 31.578 ( 1.836 1.206 -6.726) 7.076 32.061 ( 1.414 7.392 0.760) 7.565 32.065 ( 1.134 5.675 0.464) 5.806 32.309 ( -1.261 5.472 1.893) 5.926 32.331 ( -0.534 6.106 -0.432) 6.145 34.621 ( 7.497 32.509 7.455) 34.185 34.849 ( 6.817 37.599 -18.315) 42.374 36.278 ( -19.200 1.095 8.777) 21.140 36.441 ( -15.426 -1.481 -8.945) 17.893 37.632 ( 8.004 -8.312 5.814) 12.921 37.739 ( 8.912 -9.006 -5.563) 13.838 38.374 ( -6.193 -18.128 11.415) 22.300 38.525 ( -6.076 -16.910 -5.523) 18.798 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.890 -2.320 18.094) 18.264 1.694 ( -10.629 -0.130 -1.347) 10.714 1.808 ( -0.177 -8.472 1.006) 8.534 1.876 ( -2.550 -11.242 -6.073) 13.030 2.066 ( 8.600 2.326 5.041) 10.236 2.121 ( 1.978 5.992 -1.194) 6.422 2.362 ( 7.191 15.904 4.270) 17.969 2.555 ( 1.324 15.167 -10.551) 18.523 2.632 ( 0.057 24.650 -2.019) 24.732 2.716 ( 7.689 15.335 -10.075) 19.895 3.009 ( -4.061 12.662 7.664) 15.348 3.150 ( -3.851 12.792 -6.865) 15.020 3.244 ( -10.372 3.123 1.668) 10.960 3.339 ( -12.051 9.007 -6.847) 16.530 3.693 ( -11.565 1.813 8.429) 14.425 3.797 ( -13.973 1.480 -2.705) 14.309 4.047 ( -2.823 22.613 5.888) 23.537 4.102 ( -4.127 19.335 1.165) 19.805 4.176 ( 0.246 18.510 7.298) 19.898 4.310 ( -3.233 15.051 -0.645) 15.408 4.634 ( 2.108 12.408 0.957) 12.622 4.673 ( -1.454 4.886 -1.666) 5.363 4.839 ( -4.999 -5.351 -0.783) 7.364 4.912 ( -5.211 0.508 -7.254) 8.946 5.295 ( 3.839 5.958 6.045) 9.315 5.385 ( 4.730 -2.183 10.370) 11.605 5.399 ( 0.838 8.900 -3.846) 9.732 5.534 ( -1.040 -2.709 -2.734) 3.987 5.728 ( -4.436 5.149 2.414) 7.212 5.815 ( -10.092 -0.770 -6.923) 12.262 5.932 ( 0.109 -9.780 4.892) 10.936 5.971 ( -0.720 -3.924 0.105) 3.991 6.146 ( -2.623 7.056 0.171) 7.530 6.156 ( -4.070 8.513 -2.562) 9.778 6.492 ( 4.310 -6.429 -0.117) 7.740 6.596 ( -1.418 -5.991 -9.159) 11.035 6.664 ( 3.782 -5.140 1.259) 6.504 6.694 ( 4.086 -4.492 -0.023) 6.073 6.853 ( -3.479 -4.993 0.350) 6.095 6.890 ( -2.485 -1.326 -2.048) 3.483 7.090 ( 7.537 1.485 3.358) 8.383 7.175 ( 3.871 0.389 -5.703) 6.903 7.249 ( 5.615 -3.566 3.872) 7.697 7.343 ( 6.204 -5.173 -5.468) 9.754 7.504 ( -1.258 -6.600 7.322) 9.938 7.643 ( -0.240 -4.295 -5.584) 7.049 7.749 ( -1.336 3.634 2.296) 4.502 7.758 ( -4.137 0.944 0.610) 4.287 7.933 ( -0.132 -3.077 3.069) 4.347 7.997 ( -0.370 -6.007 -3.476) 6.950 8.094 ( -1.409 3.181 4.288) 5.522 8.194 ( -0.026 3.976 -6.101) 7.283 8.495 ( -1.434 2.007 6.086) 6.567 8.530 ( -0.921 5.372 2.461) 5.980 8.846 ( -5.174 1.592 2.877) 6.130 8.893 ( -6.242 2.218 -2.351) 7.029 9.619 ( 9.629 -10.872 5.686) 15.597 9.705 ( 8.613 -10.640 -3.435) 14.113 9.929 ( 8.762 -11.515 6.573) 15.892 10.082 ( 4.753 -12.215 -9.494) 16.184 11.979 ( -0.680 -2.683 0.876) 2.903 11.992 ( -1.167 -2.326 -0.476) 2.646 12.197 ( -0.966 -1.421 0.878) 1.930 12.218 ( -1.674 -1.567 -1.034) 2.515 12.483 ( 2.942 5.400 0.113) 6.150 12.497 ( 3.342 6.907 -1.198) 7.766 12.662 ( -0.832 1.757 -0.519) 2.013 12.663 ( -0.691 2.955 -0.591) 3.092 12.926 ( 2.310 -1.972 1.014) 3.202 12.941 ( 3.047 -1.132 -0.633) 3.311 13.045 ( 0.440 -1.726 1.770) 2.511 13.081 ( 0.593 -2.087 -1.969) 2.930 13.224 ( -2.682 -1.394 0.505) 3.065 13.242 ( -2.689 -0.472 -1.225) 2.993 13.568 ( -1.026 -3.827 1.131) 4.120 13.584 ( -1.843 -3.935 -0.585) 4.384 16.711 ( 1.525 0.323 1.520) 2.178 16.739 ( 0.761 -0.388 -1.013) 1.324 16.825 ( -0.224 -1.111 0.233) 1.157 16.840 ( -0.412 -1.030 -1.029) 1.513 17.143 ( 2.078 -4.006 -0.676) 4.563 17.167 ( 0.959 -3.984 -3.347) 5.291 17.445 ( -0.495 -1.970 0.534) 2.100 17.453 ( -0.700 -1.984 -0.255) 2.119 17.780 ( 3.212 -2.482 1.480) 4.321 17.800 ( 3.705 -2.632 -0.480) 4.570 17.966 ( -4.507 -2.398 0.100) 5.106 17.981 ( -5.039 -0.610 -1.619) 5.327 18.134 ( -2.235 0.376 0.832) 2.414 18.159 ( -2.927 1.101 -1.768) 3.593 18.295 ( -0.266 0.678 0.904) 1.160 18.305 ( -0.260 0.467 -0.165) 0.560 18.520 ( 1.360 -0.183 3.296) 3.570 18.557 ( -0.035 0.376 -0.533) 0.653 18.691 ( -0.505 0.200 1.330) 1.437 18.706 ( -0.423 0.352 -0.316) 0.635 18.777 ( 1.059 3.181 2.770) 4.349 18.802 ( 0.578 1.297 1.455) 2.034 18.832 ( 1.424 1.546 -1.795) 2.764 18.844 ( 0.926 3.004 -2.643) 4.107 28.764 ( -0.425 7.328 0.566) 7.362 28.770 ( -0.685 7.226 0.084) 7.259 28.949 ( 1.330 7.228 1.040) 7.422 29.014 ( -1.965 6.491 -5.627) 8.812 29.843 ( 1.994 2.844 2.329) 4.182 29.879 ( 1.854 3.401 -0.969) 3.993 29.954 ( -2.886 10.153 2.050) 10.752 30.012 ( -4.070 7.303 -3.519) 9.070 30.464 ( 0.662 -1.222 1.989) 2.427 30.508 ( -0.473 -2.268 -2.749) 3.595 30.660 ( -1.655 -2.668 0.406) 3.165 30.667 ( -1.283 -2.288 -0.317) 2.642 30.934 ( 4.271 -8.304 4.809) 10.504 31.007 ( 0.855 -7.630 -2.250) 8.000 31.140 ( 0.320 -1.312 1.442) 1.975 31.189 ( -1.362 -2.975 -2.435) 4.078 31.471 ( 4.912 -1.353 4.437) 6.756 31.490 ( 7.179 -2.709 3.619) 8.483 31.590 ( 4.576 -2.670 -2.562) 5.884 31.620 ( 2.631 0.308 -5.304) 5.928 32.092 ( 1.687 6.649 0.622) 6.888 32.098 ( 1.910 8.091 -0.219) 8.316 32.285 ( -1.011 5.291 2.392) 5.894 32.309 ( -1.563 6.090 -0.194) 6.290 34.835 ( 14.164 25.084 7.493) 29.765 35.029 ( 10.432 27.018 -13.445) 31.931 35.885 ( -18.881 9.146 7.938) 22.431 36.064 ( -21.297 6.803 -11.114) 24.967 37.809 ( 9.469 -11.602 6.850) 16.468 37.918 ( 8.607 -11.539 -4.306) 15.026 38.235 ( -7.114 -15.808 8.803) 19.442 38.374 ( -9.053 -15.340 -5.954) 18.781 ======================= Grid point 143 (52/60) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -5.246 -5.023 10.999) 13.181 1.535 ( 5.246 -5.023 10.999) 13.181 1.819 ( -2.890 -11.951 -5.483) 13.463 1.819 ( 2.890 -11.951 -5.483) 13.463 2.163 ( -0.471 6.464 0.448) 6.497 2.163 ( 0.471 6.464 0.448) 6.497 2.509 ( -4.668 14.281 -3.761) 15.488 2.509 ( 4.668 14.281 -3.761) 15.488 2.718 ( -13.561 10.803 10.011) 20.020 2.718 ( 13.561 10.803 10.011) 20.020 3.006 ( -13.113 12.725 -16.460) 24.593 3.006 ( 13.113 12.725 -16.460) 24.593 3.159 ( -3.336 4.620 0.929) 5.774 3.159 ( 3.336 4.620 0.929) 5.774 3.611 ( -3.962 5.336 0.680) 6.681 3.611 ( 3.962 5.336 0.680) 6.681 4.053 ( -1.850 20.737 2.975) 21.031 4.053 ( 1.851 20.737 2.975) 21.031 4.229 ( -4.124 15.995 8.685) 18.662 4.229 ( 4.124 15.995 8.685) 18.662 4.668 ( -0.046 9.941 -1.124) 10.004 4.668 ( 0.046 9.941 -1.124) 10.004 4.819 ( -3.224 -1.640 -6.485) 7.425 4.819 ( 3.224 -1.640 -6.485) 7.425 5.371 ( -3.107 9.679 5.206) 11.421 5.371 ( 3.107 9.679 5.206) 11.421 5.480 ( -3.627 -0.101 -1.316) 3.860 5.480 ( 3.627 -0.101 -1.316) 3.860 5.702 ( -1.968 4.114 -1.865) 4.927 5.702 ( 1.968 4.114 -1.865) 4.927 5.940 ( -1.514 -6.810 5.972) 9.184 5.940 ( 1.514 -6.810 5.972) 9.184 6.116 ( -0.225 7.047 -2.965) 7.649 6.116 ( 0.225 7.047 -2.965) 7.649 6.570 ( -2.453 -4.018 -6.821) 8.288 6.570 ( 2.453 -4.018 -6.821) 8.288 6.730 ( -2.889 -7.255 3.992) 8.770 6.730 ( 2.889 -7.255 3.992) 8.770 6.820 ( -3.419 -4.413 -3.443) 6.559 6.820 ( 3.419 -4.413 -3.443) 6.559 7.202 ( -2.222 3.454 -0.834) 4.191 7.202 ( 2.222 3.454 -0.834) 4.191 7.384 ( -5.244 -12.584 3.448) 14.062 7.384 ( 5.244 -12.584 3.448) 14.062 7.530 ( -8.145 -2.670 -1.902) 8.780 7.530 ( 8.145 -2.670 -1.902) 8.780 7.745 ( -2.140 2.067 2.106) 3.645 7.745 ( 2.140 2.067 2.106) 3.645 7.894 ( -3.535 1.972 -3.287) 5.214 7.894 ( 3.535 1.972 -3.287) 5.214 8.166 ( -4.237 -0.093 1.514) 4.500 8.166 ( 4.237 -0.093 1.514) 4.500 8.523 ( -1.829 3.363 5.772) 6.926 8.523 ( 1.829 3.363 5.772) 6.926 8.796 ( -1.557 3.601 -1.790) 4.313 8.796 ( 1.557 3.601 -1.790) 4.313 9.757 ( -3.061 -14.217 0.539) 14.552 9.757 ( 3.061 -14.217 0.539) 14.552 10.083 ( -5.004 -10.274 -1.277) 11.499 10.083 ( 5.004 -10.274 -1.277) 11.499 11.977 ( -0.409 -2.771 0.415) 2.832 11.977 ( 0.409 -2.771 0.415) 2.832 12.194 ( -0.602 -1.763 -0.627) 1.966 12.194 ( 0.602 -1.763 -0.627) 1.966 12.528 ( -0.747 8.409 -0.069) 8.442 12.528 ( 0.747 8.409 -0.069) 8.442 12.651 ( -0.174 1.883 -0.607) 1.987 12.651 ( 0.174 1.883 -0.607) 1.987 12.940 ( -0.794 0.954 0.709) 1.430 12.940 ( 0.794 0.954 0.709) 1.430 13.113 ( -2.668 -6.645 -0.749) 7.200 13.113 ( 2.668 -6.645 -0.749) 7.200 13.179 ( -1.990 -0.363 -0.337) 2.050 13.179 ( 1.990 -0.363 -0.337) 2.050 13.561 ( -0.425 -3.353 0.317) 3.395 13.561 ( 0.425 -3.353 0.317) 3.395 16.738 ( -0.954 -0.822 0.843) 1.515 16.738 ( 0.954 -0.822 0.843) 1.515 16.827 ( -0.581 -0.792 -1.019) 1.415 16.827 ( 0.581 -0.792 -1.019) 1.415 17.172 ( -0.675 -4.026 -2.009) 4.550 17.172 ( 0.675 -4.026 -2.009) 4.550 17.443 ( -0.271 -1.833 0.117) 1.857 17.443 ( 0.271 -1.833 0.117) 1.857 17.856 ( -3.465 -1.063 0.262) 3.634 17.856 ( 3.465 -1.063 0.262) 3.634 17.892 ( -3.084 -3.949 -0.153) 5.013 17.892 ( 3.084 -3.949 -0.153) 5.013 18.119 ( -0.821 2.003 -0.986) 2.378 18.119 ( 0.821 2.003 -0.986) 2.378 18.300 ( -0.399 0.055 0.328) 0.520 18.300 ( 0.399 0.055 0.328) 0.520 18.546 ( -1.162 0.556 1.684) 2.121 18.546 ( 1.162 0.556 1.684) 2.121 18.690 ( -0.664 0.416 -0.000) 0.783 18.690 ( 0.664 0.416 -0.000) 0.783 18.796 ( -0.834 2.530 3.100) 4.088 18.796 ( 0.834 2.530 3.100) 4.088 18.855 ( -0.342 1.934 -2.832) 3.447 18.855 ( 0.342 1.934 -2.832) 3.447 28.761 ( -0.181 7.085 0.404) 7.099 28.761 ( 0.181 7.085 0.404) 7.099 28.978 ( -1.692 7.294 -2.216) 7.809 28.978 ( 1.692 7.294 -2.216) 7.809 29.882 ( -1.609 0.672 2.928) 3.408 29.882 ( 1.609 0.672 2.928) 3.408 29.952 ( -2.210 11.066 -2.284) 11.513 29.952 ( 2.210 11.066 -2.284) 11.513 30.482 ( -1.504 -0.611 -0.820) 1.819 30.482 ( 1.504 -0.611 -0.820) 1.819 30.650 ( -0.387 -4.098 0.008) 4.117 30.650 ( 0.387 -4.098 0.008) 4.117 30.992 ( -1.984 -9.264 2.046) 9.692 30.992 ( 1.984 -9.264 2.046) 9.692 31.160 ( -1.477 -0.853 -1.392) 2.201 31.160 ( 1.477 -0.853 -1.392) 2.201 31.542 ( -1.739 -1.247 5.025) 5.462 31.542 ( 1.739 -1.247 5.025) 5.462 31.643 ( -1.404 -1.757 -4.664) 5.178 31.643 ( 1.404 -1.757 -4.664) 5.178 32.116 ( -0.380 8.009 0.010) 8.018 32.116 ( 0.380 8.009 0.010) 8.018 32.282 ( -0.847 5.473 1.279) 5.684 32.282 ( 0.847 5.473 1.279) 5.684 35.095 ( -8.237 18.549 2.004) 20.394 35.095 ( 8.237 18.549 2.004) 20.394 35.733 ( -7.995 14.335 -6.125) 17.520 35.733 ( 7.995 14.335 -6.125) 17.520 37.969 ( -5.547 -13.192 5.861) 15.465 37.969 ( 5.547 -13.192 5.861) 15.465 38.207 ( -6.450 -14.140 -3.425) 15.915 38.207 ( 6.450 -14.140 -3.425) 15.915 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 -8.024 3.044) 8.582 1.474 ( 0.000 -8.098 -2.002) 8.342 1.776 ( 0.000 2.416 2.161) 3.241 1.839 ( 0.000 -2.358 -2.182) 3.213 2.348 ( 0.000 4.741 -2.313) 5.275 2.349 ( 0.000 10.824 -6.121) 12.435 2.546 ( 0.000 16.184 7.655) 17.903 2.773 ( 0.000 18.875 -14.874) 24.031 3.243 ( 0.000 24.310 4.916) 24.802 3.260 ( 0.000 25.692 3.551) 25.937 3.416 ( 0.000 14.931 -0.426) 14.938 3.443 ( 0.000 15.091 -4.283) 15.687 3.906 ( 0.000 18.702 1.705) 18.780 3.971 ( 0.000 16.942 -4.136) 17.439 3.977 ( 0.000 17.093 15.827) 23.295 4.222 ( 0.000 11.126 -9.522) 14.645 4.375 ( 0.000 -6.767 1.300) 6.890 4.429 ( 0.000 -11.125 -5.195) 12.278 4.622 ( 0.000 -2.176 7.863) 8.158 4.642 ( 0.000 -7.959 5.541) 9.698 4.718 ( 0.000 9.511 4.435) 10.494 4.774 ( 0.000 9.829 -4.123) 10.659 4.883 ( 0.000 9.452 -0.095) 9.452 4.926 ( 0.000 -1.270 -4.690) 4.859 5.280 ( 0.000 -2.308 2.524) 3.420 5.286 ( 0.000 -13.755 0.519) 13.765 5.393 ( 0.000 0.992 8.986) 9.040 5.529 ( 0.000 6.797 -1.071) 6.880 5.720 ( 0.000 1.519 1.537) 2.161 5.723 ( 0.000 -6.510 -6.482) 9.187 5.896 ( 0.000 -7.124 3.193) 7.807 6.013 ( 0.000 -8.553 -7.262) 11.220 6.212 ( 0.000 -9.998 7.630) 12.576 6.383 ( 0.000 -13.241 -9.170) 16.106 6.466 ( 0.000 8.121 4.396) 9.235 6.491 ( 0.000 8.082 0.320) 8.088 6.578 ( 0.000 1.729 6.251) 6.486 6.695 ( 0.000 -11.119 2.521) 11.401 6.773 ( 0.000 0.991 -6.310) 6.387 6.846 ( 0.000 -10.198 -7.580) 12.706 6.972 ( 0.000 1.026 2.304) 2.522 7.025 ( 0.000 2.811 -2.772) 3.948 7.219 ( 0.000 -4.775 6.227) 7.847 7.246 ( 0.000 1.631 0.860) 1.844 7.376 ( 0.000 1.997 -1.301) 2.383 7.434 ( 0.000 -2.992 -5.117) 5.927 7.491 ( 0.000 0.647 2.684) 2.760 7.576 ( 0.000 4.783 -7.208) 8.651 7.909 ( 0.000 -3.301 5.113) 6.086 7.992 ( 0.000 2.801 -3.955) 4.846 8.182 ( 0.000 1.333 3.601) 3.840 8.285 ( 0.000 4.456 -6.683) 8.032 8.727 ( 0.000 1.932 1.431) 2.404 8.743 ( 0.000 2.859 -0.013) 2.859 9.002 ( 0.000 0.940 3.781) 3.896 9.016 ( 0.000 2.328 4.665) 5.214 9.181 ( 0.000 -5.778 6.717) 8.861 9.331 ( 0.000 -5.320 -7.660) 9.326 9.452 ( 0.000 -10.462 9.931) 14.425 9.654 ( 0.000 -16.081 -10.932) 19.445 12.008 ( 0.000 -0.220 1.034) 1.057 12.034 ( 0.000 0.207 -1.558) 1.572 12.188 ( 0.000 -1.885 3.337) 3.832 12.219 ( 0.000 -2.690 0.532) 2.742 12.436 ( 0.000 0.121 2.025) 2.028 12.519 ( 0.000 -3.099 -6.084) 6.828 12.535 ( 0.000 -2.857 0.934) 3.006 12.579 ( 0.000 -1.433 -4.024) 4.272 12.862 ( 0.000 5.012 2.475) 5.590 12.883 ( 0.000 7.396 0.482) 7.411 13.158 ( 0.000 -1.693 -0.834) 1.887 13.166 ( 0.000 0.957 -0.423) 1.046 13.247 ( 0.000 2.017 4.110) 4.578 13.332 ( 0.000 2.019 -3.958) 4.443 13.487 ( 0.000 -6.214 3.097) 6.944 13.533 ( 0.000 -5.627 -1.621) 5.856 16.716 ( 0.000 2.730 -0.071) 2.731 16.728 ( 0.000 2.074 -1.215) 2.404 16.836 ( 0.000 0.409 1.425) 1.483 16.856 ( 0.000 0.439 -0.770) 0.886 17.042 ( 0.000 0.731 1.476) 1.647 17.096 ( 0.000 -0.016 -4.536) 4.536 17.401 ( 0.000 -3.739 0.283) 3.750 17.403 ( 0.000 -3.608 -0.207) 3.614 17.705 ( 0.000 2.421 1.640) 2.924 17.753 ( 0.000 3.418 -3.957) 5.229 18.034 ( 0.000 -2.225 -0.205) 2.234 18.048 ( 0.000 -2.632 -1.536) 3.048 18.198 ( 0.000 -0.004 1.236) 1.236 18.208 ( 0.000 0.146 0.464) 0.486 18.339 ( 0.000 -1.949 1.061) 2.218 18.354 ( 0.000 -1.986 -0.392) 2.024 18.467 ( 0.000 -1.224 6.220) 6.339 18.565 ( 0.000 -1.860 -4.397) 4.774 18.647 ( 0.000 -0.285 1.714) 1.738 18.671 ( 0.000 -0.702 -0.891) 1.135 18.753 ( 0.000 1.790 0.900) 2.003 18.758 ( 0.000 1.671 0.301) 1.698 18.895 ( 0.000 1.544 0.127) 1.549 18.906 ( 0.000 1.292 -0.976) 1.620 28.935 ( 0.000 6.407 -0.080) 6.408 28.940 ( 0.000 6.247 -0.278) 6.253 29.016 ( 0.000 3.570 2.438) 4.323 29.098 ( 0.000 0.446 -5.955) 5.972 29.956 ( 0.000 6.671 0.231) 6.675 29.974 ( 0.000 8.778 -1.597) 8.922 30.249 ( 0.000 -1.064 0.147) 1.074 30.257 ( 0.000 -0.072 -0.665) 0.669 30.350 ( 0.000 1.397 2.299) 2.690 30.357 ( 0.000 0.134 0.843) 0.854 30.540 ( 0.000 -10.086 4.033) 10.862 30.635 ( 0.000 -7.051 -5.164) 8.740 30.874 ( 0.000 3.003 -0.604) 3.063 30.877 ( 0.000 2.972 -1.067) 3.158 31.149 ( 0.000 -2.182 0.474) 2.232 31.155 ( 0.000 -5.467 -0.992) 5.556 31.168 ( 0.000 -0.633 0.372) 0.734 31.184 ( 0.000 -1.001 -0.836) 1.304 31.462 ( 0.000 3.565 8.234) 8.973 31.593 ( 0.000 1.415 -5.438) 5.619 32.100 ( 0.000 0.515 2.742) 2.789 32.122 ( 0.000 0.904 0.265) 0.942 32.344 ( 0.000 -1.161 4.038) 4.201 32.405 ( 0.000 -0.098 -2.351) 2.353 35.278 ( 0.000 33.963 10.980) 35.694 35.545 ( 0.000 31.658 -17.773) 36.305 36.456 ( 0.000 -1.733 1.525) 2.308 36.488 ( 0.000 -4.248 -2.043) 4.713 37.456 ( 0.000 -3.153 1.777) 3.619 37.510 ( 0.000 -4.660 -3.795) 6.010 38.078 ( 0.000 -15.360 10.565) 18.643 38.223 ( 0.000 -17.307 -5.501) 18.160 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.378 -6.486 7.351) 9.811 1.552 ( 4.951 -9.014 -6.080) 11.947 1.786 ( -0.087 0.763 1.872) 2.023 1.836 ( -1.033 -2.550 -1.298) 3.042 2.305 ( -8.280 19.316 5.034) 21.611 2.389 ( 3.620 7.564 -3.191) 8.972 2.524 ( 2.073 4.541 -5.533) 7.452 2.602 ( -13.755 15.339 -11.211) 23.456 3.199 ( -6.860 20.752 5.300) 22.490 3.237 ( -2.563 24.085 1.541) 24.270 3.383 ( -3.225 14.596 1.698) 15.044 3.415 ( -3.742 10.085 -2.640) 11.076 3.734 ( -13.636 15.266 1.268) 20.508 3.793 ( -12.025 14.031 -4.082) 18.925 3.949 ( -9.635 4.835 4.984) 11.877 4.038 ( -12.716 -0.687 -3.782) 13.285 4.390 ( 1.888 4.367 6.467) 8.028 4.475 ( 1.583 2.143 1.197) 2.921 4.527 ( -6.270 5.945 4.304) 9.653 4.566 ( -8.997 1.952 1.259) 9.292 4.710 ( 1.101 -3.315 -1.252) 3.711 4.759 ( -2.714 2.940 -4.980) 6.388 4.916 ( -0.667 10.823 9.468) 14.395 5.020 ( 7.828 7.089 -2.956) 10.967 5.277 ( 0.620 -2.349 5.075) 5.627 5.343 ( 6.027 -5.005 1.341) 7.949 5.398 ( 1.191 4.658 0.524) 4.837 5.482 ( 0.094 1.406 -6.187) 6.345 5.727 ( 3.695 -2.559 3.476) 5.682 5.813 ( 2.295 -2.524 1.887) 3.899 5.838 ( -3.030 -6.501 -2.402) 7.564 5.935 ( -5.170 -7.394 -6.693) 11.234 6.250 ( 1.345 -7.279 4.436) 8.630 6.360 ( -3.553 -4.804 -4.782) 7.653 6.416 ( -3.554 7.770 5.393) 10.104 6.484 ( 1.590 2.092 -3.707) 4.544 6.546 ( -0.693 -3.726 1.267) 3.996 6.657 ( -4.135 -5.384 -9.765) 11.893 6.789 ( 1.130 -5.318 6.055) 8.138 6.870 ( 1.950 -2.906 -0.859) 3.603 6.993 ( 0.897 1.342 -1.215) 2.021 7.022 ( 0.359 0.998 -2.023) 2.284 7.268 ( 3.465 -0.514 4.128) 5.413 7.313 ( 0.923 3.354 -1.951) 3.988 7.323 ( 0.248 -0.679 2.469) 2.572 7.434 ( 0.538 -10.310 -5.775) 11.830 7.635 ( 11.619 0.698 3.272) 12.091 7.709 ( 10.318 0.649 -4.749) 11.377 7.906 ( -0.888 -0.230 4.384) 4.479 7.967 ( -2.431 5.581 -2.535) 6.594 8.206 ( 0.132 0.550 4.276) 4.314 8.316 ( 2.424 3.708 -6.775) 8.095 8.618 ( -9.996 0.777 2.521) 10.338 8.642 ( -5.485 0.209 0.217) 5.493 8.911 ( -4.312 0.593 6.132) 7.520 8.992 ( -5.445 -0.716 -2.989) 6.253 9.307 ( 10.584 -6.022 10.524) 16.095 9.391 ( 6.051 -5.061 2.993) 8.437 9.587 ( 8.257 -7.582 -0.696) 11.232 9.691 ( 6.259 -13.235 -11.406) 18.560 11.980 ( -2.055 -0.132 1.293) 2.431 12.008 ( -2.156 0.182 -1.506) 2.636 12.175 ( -1.669 -3.230 2.436) 4.376 12.198 ( -1.860 -3.286 0.111) 3.777 12.474 ( 3.361 0.380 0.658) 3.445 12.507 ( 3.152 1.850 -2.392) 4.368 12.624 ( 5.129 -3.166 -0.655) 6.063 12.653 ( 6.073 -1.554 -3.699) 7.278 12.858 ( -0.190 4.580 3.033) 5.496 12.892 ( 0.920 5.556 -0.405) 5.646 13.110 ( -3.641 0.198 1.835) 4.082 13.154 ( -2.139 1.391 -2.997) 3.936 13.236 ( -1.308 0.070 3.606) 3.837 13.305 ( -2.751 1.057 -3.195) 4.347 13.482 ( -0.441 -5.803 2.493) 6.331 13.519 ( -1.312 -5.320 -1.262) 5.623 16.720 ( 0.407 2.343 0.320) 2.400 16.736 ( 0.656 1.598 -1.306) 2.166 16.826 ( -0.830 0.163 1.378) 1.617 16.850 ( -0.685 0.246 -1.077) 1.300 17.065 ( 2.165 0.884 1.039) 2.559 17.111 ( 1.335 0.398 -4.083) 4.314 17.399 ( -0.204 -3.612 0.420) 3.642 17.404 ( -0.052 -3.522 -0.258) 3.532 17.722 ( 1.820 1.871 1.139) 2.848 17.755 ( 0.324 2.960 -2.649) 3.985 17.998 ( -3.352 -2.417 0.879) 4.225 18.026 ( -2.349 -2.302 -2.123) 3.915 18.177 ( -1.494 0.535 1.937) 2.504 18.208 ( -0.454 0.372 -1.284) 1.412 18.315 ( -1.850 -1.826 0.969) 2.774 18.326 ( -2.310 -1.340 0.001) 2.670 18.490 ( 2.074 -0.388 5.087) 5.507 18.569 ( 0.660 0.289 -3.144) 3.226 18.663 ( 1.134 -2.268 1.454) 2.923 18.683 ( 0.312 -1.116 -0.406) 1.228 18.763 ( 1.568 1.038 1.451) 2.375 18.784 ( 2.244 1.233 -0.771) 2.673 18.881 ( -1.348 1.511 0.089) 2.027 18.892 ( -0.955 1.218 -1.070) 1.882 28.924 ( -0.876 6.409 0.243) 6.474 28.932 ( -0.716 6.433 -0.334) 6.481 29.028 ( 1.069 3.472 1.771) 4.041 29.099 ( -0.049 0.888 -5.354) 5.427 29.918 ( -3.014 4.547 1.216) 5.590 29.952 ( -1.715 5.463 -2.329) 6.182 30.165 ( -4.479 3.243 2.754) 6.178 30.214 ( -2.676 3.581 -2.286) 5.021 30.387 ( 2.332 -1.728 1.151) 3.122 30.407 ( 2.017 -3.017 -1.214) 3.827 30.610 ( 4.548 -7.825 3.026) 9.544 30.658 ( 0.219 -5.955 -1.747) 6.209 30.820 ( -1.969 4.391 2.708) 5.522 30.895 ( 0.862 0.711 -5.075) 5.196 31.123 ( -0.283 -0.730 1.287) 1.506 31.157 ( 0.806 -0.758 -2.389) 2.632 31.253 ( 7.372 -3.528 2.687) 8.603 31.295 ( 7.747 -3.753 -1.679) 8.770 31.490 ( 2.871 2.598 6.951) 7.957 31.605 ( 1.138 1.024 -4.660) 4.906 32.116 ( 1.691 0.682 2.824) 3.362 32.141 ( 2.024 1.048 -0.022) 2.279 32.337 ( -0.726 -0.788 4.106) 4.243 32.399 ( -0.784 0.017 -2.337) 2.465 35.302 ( 2.602 32.163 10.441) 33.915 35.553 ( 0.917 29.893 -16.618) 34.214 36.315 ( -11.695 1.933 4.956) 12.848 36.418 ( -8.386 -1.299 -6.319) 10.581 37.495 ( 4.100 -4.788 3.762) 7.340 37.574 ( 5.617 -6.709 -4.565) 9.870 38.031 ( -4.503 -14.739 10.084) 18.418 38.175 ( -4.730 -16.688 -5.705) 18.260 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -0.462 -2.728 12.349) 12.655 1.618 ( 1.319 -8.622 -8.471) 12.159 1.683 ( -10.840 -0.536 1.225) 10.923 1.754 ( -8.327 -1.681 -4.702) 9.710 2.174 ( -0.884 7.667 4.408) 8.888 2.254 ( -8.505 7.578 -3.993) 12.071 2.563 ( 8.312 6.231 4.081) 11.161 2.700 ( 8.847 3.992 -12.435) 15.774 2.916 ( -18.822 3.373 7.604) 20.578 3.039 ( -19.579 4.847 -5.720) 20.966 3.276 ( -5.567 11.190 6.884) 14.268 3.358 ( -0.640 11.899 -0.494) 11.927 3.489 ( -11.033 15.201 -2.188) 18.910 3.553 ( -11.742 10.797 -7.863) 17.784 3.785 ( -3.625 10.762 2.274) 11.582 3.842 ( -6.050 6.648 -3.481) 9.639 4.380 ( -3.886 3.939 5.910) 8.096 4.415 ( -4.587 9.911 6.693) 12.809 4.452 ( 1.727 9.942 10.243) 14.379 4.530 ( -0.123 1.664 0.213) 1.682 4.658 ( -3.635 -3.074 -2.326) 5.299 4.704 ( -2.858 -4.189 -5.211) 7.271 4.937 ( 3.061 16.398 4.088) 17.175 5.065 ( -2.220 13.964 -7.687) 16.094 5.361 ( 7.038 1.731 8.372) 11.073 5.449 ( 4.845 7.175 2.654) 9.055 5.472 ( 4.450 -2.688 0.134) 5.201 5.554 ( 3.192 6.563 -6.676) 9.891 5.703 ( -2.341 -10.593 8.417) 13.731 5.810 ( -1.730 -3.210 -3.509) 5.061 5.896 ( 3.997 4.209 0.149) 5.806 5.911 ( 3.853 1.492 -3.105) 5.168 6.233 ( -1.843 -2.757 0.434) 3.345 6.289 ( -4.234 1.085 -4.518) 6.287 6.410 ( 2.692 2.249 0.553) 3.551 6.459 ( -1.420 -3.705 -5.889) 7.101 6.553 ( -0.207 -8.262 1.492) 8.398 6.638 ( 0.592 -6.169 -7.402) 9.654 6.778 ( -1.739 1.605 4.620) 5.191 6.855 ( -4.189 -0.260 -3.480) 5.452 7.021 ( 2.968 -4.948 1.309) 5.916 7.061 ( 2.948 -7.585 -2.444) 8.496 7.247 ( -0.808 2.443 1.960) 3.234 7.304 ( -1.754 1.807 -3.330) 4.175 7.406 ( 5.210 -2.879 5.902) 8.382 7.511 ( 5.127 -5.702 -4.783) 9.038 7.786 ( 0.952 -2.333 2.774) 3.748 7.810 ( -1.238 -3.139 -0.470) 3.407 7.880 ( -0.708 2.453 3.738) 4.527 7.921 ( -2.178 5.927 -0.618) 6.345 8.172 ( -0.108 2.817 6.598) 7.175 8.309 ( -3.409 3.613 -6.770) 8.397 8.518 ( 1.095 0.621 6.556) 6.675 8.592 ( -0.871 0.636 -0.581) 1.225 8.812 ( -5.108 -4.824 4.312) 8.243 8.874 ( -6.444 -3.969 -2.311) 7.913 9.465 ( 7.420 -3.319 4.710) 9.395 9.551 ( 5.517 -4.617 -3.979) 8.221 9.734 ( 9.703 -7.481 4.625) 13.097 9.857 ( 6.825 -10.009 -8.366) 14.722 11.950 ( -0.837 -0.041 1.184) 1.450 11.970 ( -1.606 0.121 -0.713) 1.761 12.141 ( -1.327 -3.835 0.881) 4.152 12.158 ( -1.956 -3.944 -0.777) 4.470 12.563 ( 5.589 2.676 1.524) 6.381 12.607 ( 5.889 3.257 -2.847) 7.307 12.703 ( 1.640 2.160 0.954) 2.875 12.741 ( 1.602 2.345 -3.055) 4.171 12.874 ( 2.712 -0.730 3.430) 4.433 12.929 ( 3.325 -0.151 -2.280) 4.034 13.036 ( -3.765 1.312 2.906) 4.934 13.094 ( -3.506 2.642 -3.383) 5.542 13.194 ( -2.732 -1.287 1.991) 3.617 13.232 ( -4.414 -0.371 -1.758) 4.765 13.475 ( -0.199 -5.188 1.392) 5.375 13.492 ( -1.213 -4.979 -0.326) 5.135 16.731 ( 0.653 1.624 0.753) 1.905 16.746 ( 0.199 1.054 -0.586) 1.222 16.813 ( -0.341 -0.222 0.440) 0.599 16.832 ( -1.010 -0.163 -1.301) 1.655 17.112 ( 2.282 1.120 -0.071) 2.543 17.137 ( 1.017 0.969 -2.883) 3.206 17.393 ( -0.295 -3.308 0.534) 3.364 17.399 ( -0.407 -3.456 -0.172) 3.484 17.772 ( 2.591 1.518 0.069) 3.004 17.776 ( 2.750 0.774 -0.257) 2.869 17.919 ( -4.454 -1.555 1.296) 4.893 17.956 ( -4.684 -1.266 -2.633) 5.520 18.156 ( -0.549 1.304 1.146) 1.821 18.185 ( -1.719 1.312 -1.919) 2.890 18.287 ( -0.960 -2.300 0.533) 2.549 18.288 ( -1.289 -1.492 0.470) 2.027 18.536 ( 2.466 1.038 4.055) 4.858 18.587 ( 0.708 1.989 -1.048) 2.357 18.671 ( -0.894 -1.813 0.713) 2.143 18.675 ( -0.139 -2.385 0.225) 2.399 18.800 ( 1.712 0.094 2.126) 2.731 18.834 ( 2.144 0.760 -0.929) 2.457 18.853 ( -0.909 0.597 0.103) 1.093 18.883 ( -0.071 0.601 -2.194) 2.276 28.910 ( -0.510 6.643 0.468) 6.679 28.917 ( -0.748 6.756 -0.070) 6.798 29.051 ( 1.196 3.042 0.124) 3.271 29.092 ( -0.723 1.715 -3.916) 4.336 29.880 ( -0.448 2.321 2.555) 3.481 29.925 ( -1.203 2.659 -1.698) 3.377 30.108 ( -1.398 2.633 1.334) 3.266 30.164 ( -2.630 4.247 -3.947) 6.367 30.440 ( 3.029 -1.830 0.573) 3.585 30.442 ( 2.213 -2.108 0.120) 3.058 30.604 ( -3.627 -3.527 1.245) 5.210 30.622 ( -3.398 -3.667 -0.590) 5.034 30.846 ( 3.115 1.853 2.996) 4.703 30.908 ( 0.031 -0.220 -3.264) 3.271 31.138 ( 1.450 0.309 0.430) 1.544 31.170 ( 0.304 0.143 -2.727) 2.747 31.415 ( 7.879 -3.873 2.622) 9.163 31.437 ( 6.714 -3.642 0.978) 7.700 31.552 ( 2.591 -0.276 3.578) 4.426 31.626 ( 0.463 -0.172 -3.142) 3.181 32.165 ( 3.244 1.372 2.853) 4.533 32.196 ( 3.378 1.848 -0.643) 3.904 32.316 ( -1.431 -0.603 3.769) 4.076 32.369 ( -2.333 0.075 -1.891) 3.004 35.388 ( 6.435 27.299 8.471) 29.299 35.578 ( 1.033 25.154 -11.540) 27.694 36.077 ( -10.745 8.527 4.459) 14.423 36.201 ( -12.480 5.452 -8.604) 16.109 37.601 ( 6.401 -8.021 5.732) 11.754 37.695 ( 6.031 -9.566 -3.716) 11.903 37.927 ( -5.287 -13.516 7.495) 16.335 38.055 ( -7.264 -15.184 -5.809) 17.806 ======================= Grid point 150 (56/60) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -7.439 -1.028 8.265) 11.167 1.474 ( 7.439 -1.028 8.265) 11.167 1.634 ( -2.212 -5.767 -8.124) 10.205 1.634 ( 2.212 -5.767 -8.124) 10.205 2.211 ( -1.851 0.715 2.299) 3.037 2.211 ( 1.851 0.715 2.299) 3.037 2.615 ( -5.986 -1.866 -1.273) 6.398 2.615 ( 5.986 -1.866 -1.273) 6.398 2.849 ( -6.049 3.659 1.869) 7.312 2.849 ( 6.049 3.659 1.869) 7.313 3.262 ( -7.313 7.231 -4.809) 11.353 3.262 ( 7.313 7.231 -4.809) 11.353 3.408 ( -3.040 16.764 -1.789) 17.131 3.408 ( 3.040 16.764 -1.789) 17.131 3.779 ( -1.567 13.185 -1.591) 13.373 3.779 ( 1.567 13.185 -1.591) 13.373 4.353 ( -1.370 7.169 7.372) 10.374 4.353 ( 1.370 7.169 7.372) 10.374 4.494 ( -2.595 9.186 5.736) 11.137 4.494 ( 2.595 9.186 5.736) 11.137 4.652 ( -2.109 -7.495 -4.798) 9.146 4.652 ( 2.109 -7.495 -4.798) 9.146 5.005 ( -3.563 16.560 -3.710) 17.341 5.005 ( 3.563 16.560 -3.710) 17.341 5.475 ( -3.884 1.734 7.467) 8.594 5.475 ( 3.884 1.734 7.467) 8.594 5.536 ( -3.214 5.566 0.936) 6.495 5.536 ( 3.214 5.566 0.936) 6.495 5.744 ( -4.082 -6.575 -1.226) 7.836 5.744 ( 4.082 -6.575 -1.226) 7.836 5.961 ( -1.048 11.418 -0.604) 11.482 5.961 ( 1.048 11.418 -0.604) 11.482 6.216 ( -1.472 0.782 -4.595) 4.888 6.216 ( 1.472 0.782 -4.595) 4.888 6.455 ( -3.285 -10.461 -1.720) 11.098 6.455 ( 3.285 -10.461 -1.720) 11.098 6.604 ( -5.339 -3.249 -0.290) 6.257 6.604 ( 5.339 -3.249 -0.290) 6.257 6.759 ( -2.987 1.671 -3.553) 4.933 6.759 ( 2.987 1.671 -3.553) 4.933 7.090 ( -1.747 -12.535 -0.477) 12.665 7.090 ( 1.747 -12.535 -0.477) 12.665 7.261 ( -1.934 2.991 -0.657) 3.621 7.261 ( 1.934 2.991 -0.657) 3.621 7.512 ( -5.201 -0.391 2.393) 5.739 7.512 ( 5.201 -0.391 2.393) 5.739 7.775 ( -3.075 -6.571 0.125) 7.256 7.775 ( 3.075 -6.571 0.125) 7.256 7.874 ( -1.789 6.938 1.653) 7.353 7.874 ( 1.789 6.938 1.653) 7.353 8.235 ( -4.577 2.950 3.250) 6.341 8.235 ( 4.577 2.950 3.250) 6.341 8.566 ( -2.243 0.631 3.827) 4.481 8.566 ( 2.243 0.631 3.827) 4.481 8.776 ( -2.315 -5.331 -2.284) 6.244 8.776 ( 2.315 -5.331 -2.284) 6.244 9.573 ( -2.751 -3.164 -0.449) 4.216 9.573 ( 2.751 -3.164 -0.449) 4.216 9.888 ( -3.954 -8.938 -1.501) 9.888 9.888 ( 3.954 -8.938 -1.501) 9.888 11.949 ( -0.559 0.034 0.427) 0.704 11.949 ( 0.559 0.034 0.427) 0.704 12.133 ( -0.515 -3.948 -0.405) 4.002 12.133 ( 0.515 -3.948 -0.405) 4.002 12.666 ( -4.143 2.822 1.391) 5.202 12.666 ( 4.143 2.822 1.391) 5.202 12.711 ( -3.772 5.809 -2.307) 7.300 12.711 ( 3.772 5.809 -2.307) 7.300 12.950 ( -3.966 -3.711 2.636) 6.037 12.950 ( 3.966 -3.711 2.636) 6.037 13.023 ( -4.108 1.439 -2.986) 5.279 13.023 ( 4.108 1.439 -2.986) 5.279 13.167 ( -1.155 -0.241 0.218) 1.200 13.167 ( 1.155 -0.241 0.218) 1.200 13.477 ( -0.405 -4.972 0.553) 5.019 13.477 ( 0.405 -4.972 0.553) 5.019 16.742 ( -0.475 1.142 0.579) 1.366 16.742 ( 0.475 1.142 0.579) 1.366 16.816 ( -0.588 -0.403 -0.908) 1.155 16.816 ( 0.588 -0.403 -0.908) 1.155 17.141 ( -0.651 1.185 -1.442) 1.977 17.141 ( 0.651 1.185 -1.442) 1.977 17.392 ( -0.223 -3.327 0.253) 3.344 17.392 ( 0.223 -3.327 0.253) 3.344 17.824 ( -2.229 -0.533 0.868) 2.451 17.824 ( 2.229 -0.533 0.868) 2.451 17.867 ( -3.120 0.289 -1.382) 3.425 17.867 ( 3.120 0.289 -1.382) 3.425 18.158 ( -0.805 1.754 -0.835) 2.103 18.158 ( 0.805 1.754 -0.835) 2.103 18.277 ( -0.053 -2.364 0.506) 2.418 18.277 ( 0.053 -2.364 0.506) 2.418 18.578 ( -1.634 2.004 2.390) 3.521 18.578 ( 1.634 2.004 2.390) 3.521 18.666 ( -0.493 -1.942 -0.395) 2.042 18.666 ( 0.493 -1.942 -0.395) 2.042 18.826 ( -1.099 0.450 2.417) 2.694 18.826 ( 1.099 0.450 2.417) 2.694 18.876 ( -1.069 -0.111 -2.722) 2.927 18.876 ( 1.069 -0.111 -2.722) 2.927 28.907 ( -0.221 6.856 0.333) 6.868 28.907 ( 0.221 6.856 0.333) 6.868 29.073 ( -1.125 2.426 -1.993) 3.335 29.073 ( 1.125 2.426 -1.993) 3.335 29.896 ( -1.660 1.961 1.761) 3.115 29.896 ( 1.660 1.961 1.761) 3.115 30.115 ( -1.961 2.174 -2.880) 4.107 30.115 ( 1.961 2.174 -2.880) 4.107 30.482 ( -0.646 0.388 0.886) 1.163 30.482 ( 0.646 0.388 0.886) 1.163 30.560 ( -1.227 -4.232 0.059) 4.407 30.560 ( 1.227 -4.232 0.059) 4.407 30.893 ( -1.599 0.621 0.082) 1.717 30.893 ( 1.599 0.621 0.082) 1.717 31.164 ( -0.966 0.377 -1.346) 1.699 31.164 ( 0.966 0.377 -1.346) 1.699 31.509 ( -1.375 -2.030 3.573) 4.333 31.509 ( 1.375 -2.030 3.573) 4.333 31.599 ( -3.075 -2.533 -1.324) 4.198 31.599 ( 3.075 -2.533 -1.324) 4.198 32.224 ( -1.885 2.893 1.778) 3.884 32.224 ( 1.885 2.893 1.778) 3.884 32.315 ( -2.472 -1.020 0.073) 2.675 32.315 ( 2.472 -1.020 0.073) 2.675 35.530 ( -6.697 22.499 1.952) 23.555 35.530 ( 6.697 22.499 1.952) 23.555 36.009 ( -5.025 11.199 -5.408) 13.413 36.009 ( 5.025 11.199 -5.408) 13.413 37.719 ( -4.699 -10.232 5.509) 12.535 37.719 ( 4.699 -10.232 5.509) 12.535 37.919 ( -5.611 -13.509 -3.727) 15.095 37.919 ( 5.611 -13.509 -3.727) 15.095 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 -2.828 -3.189) 4.262 1.346 ( 0.000 -3.695 -5.452) 6.586 1.828 ( 0.000 1.693 0.283) 1.717 1.834 ( 0.000 0.685 0.152) 0.702 2.397 ( 0.000 1.120 -1.871) 2.181 2.413 ( 0.000 -0.315 -5.264) 5.274 2.968 ( 0.000 18.223 7.326) 19.640 3.091 ( 0.000 7.712 -4.860) 9.116 3.553 ( 0.000 5.341 7.113) 8.895 3.556 ( 0.000 4.863 6.757) 8.325 3.699 ( 0.000 12.866 -2.843) 13.176 3.743 ( 0.000 10.895 -8.711) 13.949 4.172 ( 0.000 -0.467 -1.541) 1.610 4.177 ( 0.000 -1.838 -2.019) 2.730 4.230 ( 0.000 3.958 4.747) 6.181 4.279 ( 0.000 -0.784 -2.204) 2.339 4.297 ( 0.000 12.723 8.677) 15.400 4.450 ( 0.000 8.727 4.106) 9.644 4.520 ( 0.000 0.111 4.194) 4.195 4.645 ( 0.000 3.545 4.829) 5.990 4.770 ( 0.000 -1.871 -0.548) 1.949 4.807 ( 0.000 -6.751 -7.995) 10.464 4.835 ( 0.000 -14.006 -13.470) 19.432 4.838 ( 0.000 -6.274 -6.361) 8.935 5.134 ( 0.000 4.581 12.145) 12.980 5.236 ( 0.000 -1.716 5.441) 5.705 5.446 ( 0.000 -0.581 0.952) 1.115 5.486 ( 0.000 -9.030 -7.739) 11.893 5.760 ( 0.000 9.918 2.131) 10.145 5.804 ( 0.000 8.246 -1.481) 8.378 5.878 ( 0.000 3.636 1.459) 3.918 5.937 ( 0.000 0.177 -3.711) 3.715 6.041 ( 0.000 -5.689 6.811) 8.874 6.131 ( 0.000 -10.992 -2.379) 11.247 6.431 ( 0.000 -11.128 -0.087) 11.128 6.432 ( 0.000 -10.686 -0.427) 10.694 6.608 ( 0.000 1.614 1.842) 2.449 6.612 ( 0.000 2.049 1.951) 2.829 6.746 ( 0.000 4.378 3.654) 5.702 6.817 ( 0.000 0.893 -2.626) 2.774 6.940 ( 0.000 -1.436 0.899) 1.694 7.007 ( 0.000 -4.549 -4.764) 6.587 7.179 ( 0.000 1.224 2.370) 2.668 7.219 ( 0.000 -2.345 -1.795) 2.953 7.513 ( 0.000 7.274 0.925) 7.332 7.515 ( 0.000 6.794 0.171) 6.796 7.591 ( 0.000 6.983 3.729) 7.917 7.680 ( 0.000 6.855 -5.720) 8.928 7.801 ( 0.000 -7.631 6.758) 10.193 7.911 ( 0.000 -9.943 -4.788) 11.036 8.305 ( 0.000 7.885 -2.219) 8.192 8.361 ( 0.000 2.317 -7.170) 7.535 8.796 ( 0.000 4.962 1.323) 5.135 8.798 ( 0.000 3.358 0.657) 3.422 8.996 ( 0.000 -3.144 3.119) 4.428 9.007 ( 0.000 -8.195 2.585) 8.593 9.104 ( 0.000 3.876 6.027) 7.165 9.210 ( 0.000 -6.913 -4.436) 8.214 9.317 ( 0.000 -2.099 1.890) 2.825 9.371 ( 0.000 -8.548 -3.836) 9.370 12.015 ( 0.000 0.836 1.288) 1.536 12.032 ( 0.000 -0.560 -0.357) 0.664 12.163 ( 0.000 -0.449 2.429) 2.470 12.173 ( 0.000 -1.470 1.483) 2.088 12.404 ( 0.000 -0.948 -0.912) 1.316 12.431 ( 0.000 -3.473 -3.581) 4.988 12.542 ( 0.000 1.552 -0.269) 1.575 12.569 ( 0.000 -0.920 -3.189) 3.319 12.983 ( 0.000 6.270 3.056) 6.975 13.036 ( 0.000 6.385 -1.964) 6.680 13.104 ( 0.000 -3.488 2.884) 4.525 13.153 ( 0.000 -2.891 -0.409) 2.920 13.288 ( 0.000 2.285 1.253) 2.606 13.341 ( 0.000 -2.083 -2.946) 3.608 13.398 ( 0.000 -0.760 2.556) 2.666 13.435 ( 0.000 -3.587 -0.957) 3.712 16.769 ( 0.000 1.681 -0.156) 1.689 16.769 ( 0.000 1.442 -0.211) 1.457 16.840 ( 0.000 0.291 -0.029) 0.292 16.851 ( 0.000 -0.607 -1.207) 1.351 17.086 ( 0.000 2.456 0.568) 2.521 17.108 ( 0.000 0.378 -1.902) 1.940 17.336 ( 0.000 -2.070 0.052) 2.071 17.338 ( 0.000 -2.235 -0.307) 2.256 17.789 ( 0.000 4.721 1.387) 4.921 17.826 ( 0.000 2.069 -2.734) 3.429 17.995 ( 0.000 -1.299 -0.594) 1.429 17.999 ( 0.000 -1.844 -0.948) 2.073 18.202 ( 0.000 0.178 1.344) 1.356 18.204 ( 0.000 -0.297 1.297) 1.330 18.309 ( 0.000 -0.568 -0.379) 0.682 18.317 ( 0.000 -1.298 -0.974) 1.623 18.437 ( 0.000 -0.400 3.138) 3.164 18.484 ( 0.000 -4.547 -1.897) 4.927 18.657 ( 0.000 0.870 1.103) 1.405 18.669 ( 0.000 -0.149 -0.209) 0.257 18.778 ( 0.000 0.703 0.537) 0.885 18.780 ( 0.000 0.494 0.273) 0.564 18.914 ( 0.000 0.492 -0.089) 0.500 18.919 ( 0.000 0.091 -0.531) 0.539 29.026 ( 0.000 2.353 -0.749) 2.469 29.028 ( 0.000 2.204 -0.838) 2.358 29.071 ( 0.000 1.955 0.415) 1.999 29.097 ( 0.000 -0.600 -2.165) 2.247 30.102 ( 0.000 7.592 2.471) 7.984 30.157 ( 0.000 8.181 -3.069) 8.737 30.226 ( 0.000 -1.094 1.556) 1.903 30.256 ( 0.000 0.380 -1.528) 1.574 30.327 ( 0.000 -4.085 1.087) 4.227 30.337 ( 0.000 -7.898 0.731) 7.931 30.389 ( 0.000 1.762 2.329) 2.920 30.469 ( 0.000 -7.060 -5.387) 8.880 30.935 ( 0.000 2.624 0.259) 2.637 30.941 ( 0.000 2.456 -0.336) 2.479 31.077 ( 0.000 -2.214 -0.107) 2.216 31.089 ( 0.000 -2.859 -1.345) 3.159 31.174 ( 0.000 0.422 0.479) 0.638 31.177 ( 0.000 0.031 0.189) 0.192 31.541 ( 0.000 3.848 5.374) 6.610 31.598 ( 0.000 -1.308 -0.447) 1.382 32.105 ( 0.000 0.352 2.320) 2.346 32.117 ( 0.000 -0.737 0.954) 1.206 32.324 ( 0.000 0.128 1.946) 1.951 32.362 ( 0.000 -3.023 -1.874) 3.556 35.857 ( 0.000 21.147 7.723) 22.513 36.003 ( 0.000 10.271 -6.970) 12.413 36.397 ( 0.000 -3.543 -1.746) 3.949 36.416 ( 0.000 -2.776 -2.745) 3.904 37.424 ( 0.000 -0.070 -0.277) 0.286 37.444 ( 0.000 -1.973 -2.369) 3.083 37.861 ( 0.000 -4.564 5.227) 6.939 37.926 ( 0.000 -10.418 -1.965) 10.602 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 2.524 -0.713 -1.241) 2.901 1.402 ( 4.342 -5.090 -6.076) 9.038 1.809 ( -2.427 1.067 0.414) 2.684 1.821 ( -1.767 0.002 -0.685) 1.895 2.473 ( 7.512 2.341 -1.035) 7.936 2.498 ( 7.918 0.386 -4.742) 9.237 2.761 ( -19.840 15.357 6.109) 25.822 2.875 ( -21.668 6.359 -5.619) 23.270 3.431 ( -16.305 5.053 6.329) 18.205 3.499 ( -11.340 -0.761 1.478) 11.461 3.584 ( -8.747 8.677 -0.170) 12.322 3.612 ( -10.159 6.002 -2.310) 12.023 3.995 ( -13.870 7.199 1.425) 15.692 4.014 ( -14.473 10.620 -0.160) 17.952 4.063 ( -9.122 2.550 1.361) 9.569 4.108 ( -10.791 5.487 -3.322) 12.553 4.360 ( -0.071 -4.001 4.141) 5.758 4.393 ( 0.429 -5.439 -0.865) 5.524 4.503 ( 0.910 0.672 5.851) 5.960 4.636 ( -2.411 -6.948 4.473) 8.608 4.650 ( -3.293 4.972 0.291) 5.971 4.775 ( -3.071 -3.744 -6.932) 8.455 5.062 ( 16.064 0.969 -0.394) 16.098 5.147 ( 15.547 -8.141 -8.333) 19.427 5.184 ( 5.963 8.354 5.810) 11.794 5.264 ( 2.580 1.287 2.275) 3.673 5.478 ( 4.777 2.143 3.486) 6.290 5.555 ( 4.941 -1.604 -5.192) 7.345 5.746 ( 0.833 4.838 2.302) 5.422 5.786 ( -1.946 3.904 -1.508) 4.616 5.820 ( -4.155 3.973 2.539) 6.285 5.885 ( -3.033 1.121 -4.306) 5.385 6.097 ( 3.977 -5.632 4.505) 8.236 6.172 ( 3.246 -9.562 -3.436) 10.666 6.333 ( -5.978 -9.577 -1.876) 11.445 6.373 ( -5.010 -13.675 -5.008) 15.400 6.576 ( -2.597 3.885 1.765) 4.995 6.595 ( -1.879 2.367 -0.163) 3.027 6.798 ( 5.120 4.718 6.058) 9.229 6.876 ( 5.480 0.193 -0.593) 5.515 6.981 ( 1.477 -1.091 1.244) 2.218 7.027 ( -1.321 -2.095 -1.918) 3.133 7.217 ( 3.282 -0.132 1.482) 3.603 7.255 ( 3.690 -4.187 -2.350) 6.056 7.472 ( -3.418 7.991 0.976) 8.746 7.483 ( -2.425 7.434 -0.502) 7.836 7.672 ( 5.735 2.840 3.015) 7.075 7.734 ( 2.922 0.522 -3.609) 4.673 7.868 ( 6.424 -1.309 7.721) 10.129 7.976 ( 5.604 -6.756 -3.295) 9.376 8.279 ( -2.875 6.997 -0.971) 7.627 8.359 ( -0.803 -0.053 -8.319) 8.358 8.653 ( -10.434 3.780 3.017) 11.501 8.684 ( -7.276 3.520 -0.243) 8.087 8.868 ( -9.742 -5.003 4.379) 11.794 8.912 ( -7.684 -6.535 -0.738) 10.114 9.248 ( 11.290 0.608 5.115) 12.409 9.296 ( 8.682 -3.930 1.578) 9.660 9.478 ( 9.101 -2.961 -2.082) 9.794 9.492 ( 11.686 -4.953 -4.647) 13.516 11.996 ( -1.472 1.454 1.304) 2.446 12.016 ( -1.343 0.058 -0.757) 1.543 12.116 ( -3.469 -1.636 1.970) 4.312 12.132 ( -3.258 -2.679 0.359) 4.233 12.476 ( 6.318 0.589 0.076) 6.346 12.505 ( 6.500 -1.825 -2.772) 7.299 12.594 ( 4.890 0.603 -0.304) 4.937 12.620 ( 4.706 -1.607 -3.029) 5.822 12.974 ( -0.971 6.126 2.998) 6.889 13.026 ( -1.212 6.210 -1.863) 6.595 13.084 ( -1.992 -3.082 3.048) 4.770 13.136 ( -1.664 -3.360 -0.984) 3.876 13.267 ( -1.897 2.987 1.341) 3.783 13.320 ( -2.256 -0.322 -3.296) 4.007 13.383 ( -1.209 -2.380 3.048) 4.052 13.420 ( -1.458 -4.075 -0.898) 4.420 16.767 ( -0.115 1.587 -0.020) 1.592 16.770 ( 0.073 1.261 -0.476) 1.350 16.828 ( -0.988 0.293 0.221) 1.054 16.843 ( -0.873 -0.791 -1.227) 1.701 17.115 ( 2.667 2.905 0.530) 3.979 17.136 ( 2.547 1.057 -1.863) 3.328 17.329 ( -0.628 -2.437 0.190) 2.524 17.334 ( -0.459 -2.715 -0.482) 2.795 17.794 ( 0.619 4.214 1.092) 4.397 17.826 ( 0.047 2.273 -2.512) 3.388 17.959 ( -2.945 -0.821 0.471) 3.093 17.983 ( -1.979 -2.130 -2.008) 3.534 18.187 ( -0.973 0.500 2.244) 2.497 18.204 ( -0.111 -0.948 0.841) 1.272 18.285 ( -2.152 -0.434 -0.074) 2.196 18.296 ( -2.058 -1.265 -0.824) 2.552 18.478 ( 3.552 0.169 2.734) 4.485 18.522 ( 3.373 -3.744 -1.949) 5.403 18.652 ( -0.391 0.757 1.217) 1.486 18.667 ( -0.381 -0.589 -0.292) 0.760 18.784 ( 0.826 0.910 0.978) 1.571 18.795 ( 1.292 -0.100 -0.272) 1.324 18.898 ( -1.553 0.376 -0.146) 1.604 18.902 ( -1.388 -0.013 -0.566) 1.499 29.024 ( -0.165 3.063 -0.496) 3.107 29.028 ( -0.015 2.650 -0.862) 2.786 29.075 ( 0.283 1.287 0.259) 1.343 29.098 ( 0.012 -0.904 -2.031) 2.223 30.012 ( -5.747 4.388 1.680) 7.423 30.047 ( -5.810 2.427 -1.931) 6.587 30.191 ( -3.865 0.761 1.659) 4.275 30.239 ( -3.012 -1.974 -3.153) 4.786 30.371 ( 2.209 1.770 1.739) 3.323 30.394 ( 1.372 1.414 -0.647) 2.074 30.467 ( 7.006 -5.113 1.345) 8.777 30.502 ( 3.213 -7.326 -1.892) 8.221 30.931 ( 0.751 5.357 0.958) 5.494 30.960 ( 1.505 3.475 -2.102) 4.331 31.096 ( 1.401 -1.872 0.959) 2.527 31.121 ( 2.274 -3.274 -1.713) 4.338 31.212 ( 4.379 -0.155 0.800) 4.454 31.230 ( 5.170 -2.024 -1.004) 5.642 31.554 ( 1.235 3.230 5.257) 6.292 31.604 ( 0.617 -1.345 0.125) 1.484 32.123 ( 1.905 0.423 2.330) 3.039 32.137 ( 2.057 -0.820 0.803) 2.355 32.325 ( -0.092 0.356 1.908) 1.943 32.361 ( -0.260 -2.721 -1.765) 3.254 35.854 ( -0.069 20.323 7.145) 21.543 35.992 ( -0.869 10.219 -6.933) 12.380 36.323 ( -6.744 -0.860 0.378) 6.809 36.368 ( -5.135 -3.511 -4.250) 7.534 37.445 ( 2.240 -0.163 0.579) 2.319 37.476 ( 3.046 -3.029 -2.702) 5.075 37.823 ( -3.749 -4.346 4.964) 7.588 37.888 ( -3.773 -10.159 -2.202) 11.058 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 2.772 1.633 1.495) 3.547 1.481 ( 3.346 -4.987 -5.743) 8.309 1.695 ( -10.378 1.396 -0.269) 10.475 1.728 ( -8.893 -1.526 -3.397) 9.641 2.343 ( -14.348 7.653 5.973) 17.324 2.392 ( -17.245 3.958 1.010) 17.722 2.662 ( 5.975 3.206 1.288) 6.902 2.720 ( 1.312 -2.632 -3.778) 4.788 2.943 ( -19.688 2.508 1.733) 19.923 3.007 ( -25.519 -3.183 -3.852) 26.004 3.407 ( -11.967 2.536 3.373) 12.690 3.464 ( -10.132 -1.808 -2.391) 10.566 3.780 ( -5.797 13.881 0.094) 15.043 3.805 ( -6.060 12.937 -2.239) 14.460 3.964 ( -2.083 -0.116 0.393) 2.123 3.985 ( -2.925 0.903 -1.920) 3.613 4.362 ( 1.105 -0.493 3.020) 3.254 4.415 ( 2.409 -5.607 -3.553) 7.061 4.541 ( -5.023 3.399 7.576) 9.705 4.603 ( 4.518 7.268 6.814) 10.940 4.616 ( -1.991 -0.438 0.485) 2.096 4.720 ( 0.473 2.289 -6.224) 6.649 5.167 ( -2.490 -1.807 5.615) 6.402 5.190 ( -4.539 -9.366 2.833) 10.787 5.432 ( 12.440 11.257 -2.979) 17.040 5.463 ( 12.713 6.348 -5.225) 15.139 5.592 ( 5.373 6.848 3.917) 9.545 5.624 ( 3.107 4.193 0.747) 5.272 5.706 ( -3.662 4.365 1.741) 5.958 5.763 ( -2.454 3.737 -1.848) 4.837 5.866 ( 8.551 -7.193 3.694) 11.769 5.954 ( 10.711 -2.499 -5.035) 12.096 6.133 ( -0.628 -3.112 0.884) 3.296 6.205 ( -0.244 -5.808 -8.019) 9.904 6.233 ( -4.746 -10.516 -3.284) 11.995 6.293 ( -4.231 -13.058 -5.322) 14.722 6.559 ( 1.943 4.901 1.372) 5.448 6.584 ( 1.689 2.258 -1.522) 3.204 6.882 ( -1.981 4.038 1.676) 4.800 6.902 ( -7.397 -0.498 -1.521) 7.568 6.962 ( 0.845 1.082 3.348) 3.618 7.008 ( 5.240 1.820 0.775) 5.601 7.258 ( 0.230 -1.451 3.444) 3.744 7.298 ( -1.866 -2.820 -0.775) 3.470 7.465 ( 3.236 5.058 -0.148) 6.006 7.473 ( 3.725 3.132 -0.868) 4.944 7.713 ( -3.692 -3.288 1.116) 5.068 7.722 ( -3.108 -3.944 0.125) 5.022 7.984 ( 4.490 6.428 7.893) 11.126 8.071 ( 3.057 2.519 0.362) 3.977 8.203 ( -3.604 2.878 2.550) 5.270 8.303 ( -4.242 -3.559 -5.816) 8.030 8.545 ( -0.465 2.326 2.115) 3.178 8.599 ( -1.489 0.067 -2.674) 3.061 8.687 ( -7.717 -4.027 4.902) 9.990 8.760 ( -7.421 -6.575 -2.588) 10.247 9.464 ( 10.135 2.110 2.659) 10.688 9.504 ( 10.620 -1.124 -1.096) 10.735 9.631 ( 6.202 -1.975 0.630) 6.539 9.684 ( 6.613 -6.481 -4.807) 10.433 11.975 ( -0.516 2.225 1.081) 2.527 11.992 ( -1.036 1.639 -0.689) 2.058 12.061 ( -1.944 -3.301 1.188) 4.011 12.075 ( -2.340 -3.686 -0.305) 4.377 12.610 ( 6.849 2.263 0.936) 7.273 12.642 ( 6.768 0.266 -2.059) 7.079 12.703 ( 5.601 -1.328 -0.868) 5.821 12.720 ( 4.733 -2.090 -2.431) 5.717 12.943 ( -2.072 5.200 2.704) 6.216 12.984 ( -3.063 5.198 -1.550) 6.229 13.034 ( -2.697 -2.750 3.124) 4.960 13.088 ( -3.416 -3.888 -2.142) 5.601 13.232 ( -1.320 4.936 1.298) 5.272 13.265 ( -2.897 3.742 -1.712) 5.032 13.363 ( -0.744 -5.385 1.828) 5.735 13.385 ( -1.875 -5.375 -0.386) 5.706 16.768 ( 0.256 1.550 0.095) 1.574 16.773 ( 0.248 1.207 -0.591) 1.367 16.809 ( -0.865 -0.115 0.245) 0.907 16.821 ( -1.175 -0.930 -1.021) 1.813 17.172 ( 2.793 3.883 0.197) 4.787 17.188 ( 2.258 2.972 -1.543) 4.039 17.314 ( -0.751 -3.688 0.310) 3.776 17.321 ( -0.831 -3.763 -0.516) 3.888 17.816 ( 1.650 2.796 0.228) 3.254 17.831 ( 0.576 2.539 -1.467) 2.988 17.901 ( -2.762 -0.187 0.899) 2.911 17.929 ( -3.239 -1.723 -2.130) 4.242 18.177 ( -0.038 0.903 1.798) 2.013 18.199 ( -0.474 -0.472 -0.238) 0.710 18.239 ( -2.164 -1.312 0.547) 2.589 18.250 ( -2.321 -1.727 -0.289) 2.907 18.550 ( 3.571 0.976 2.640) 4.547 18.589 ( 3.086 -2.329 -1.364) 4.100 18.641 ( -1.000 0.424 1.333) 1.719 18.653 ( -0.890 -0.537 -0.089) 1.043 18.806 ( 1.312 0.752 1.226) 1.946 18.826 ( 1.765 -1.002 -1.012) 2.267 18.863 ( -1.842 0.474 0.250) 1.918 18.877 ( -1.112 -0.825 -1.166) 1.810 29.023 ( 0.091 4.134 -0.176) 4.139 29.028 ( -0.011 3.762 -0.596) 3.809 29.080 ( 0.214 -0.057 -0.269) 0.348 29.094 ( -0.391 -1.308 -1.677) 2.163 29.944 ( -0.964 3.700 1.559) 4.129 29.983 ( -0.985 1.652 -2.663) 3.285 30.098 ( -4.720 -0.672 1.950) 5.150 30.153 ( -5.237 -3.887 -3.876) 7.587 30.418 ( 2.952 0.682 1.371) 3.326 30.433 ( 2.769 -0.303 -0.180) 2.791 30.528 ( -0.944 -2.717 0.961) 3.032 30.535 ( -0.134 -3.344 0.075) 3.347 30.967 ( 2.300 7.395 0.308) 7.751 30.992 ( 1.310 6.074 -2.226) 6.600 31.118 ( 0.828 -2.734 0.405) 2.885 31.145 ( 0.010 -3.693 -2.333) 4.368 31.350 ( 9.016 -1.641 1.220) 9.245 31.359 ( 7.937 -2.624 0.179) 8.361 31.569 ( -0.509 1.563 4.391) 4.688 31.606 ( -1.290 -1.724 0.728) 2.273 32.180 ( 3.862 0.616 2.165) 4.470 32.197 ( 4.082 -0.968 0.285) 4.205 32.311 ( -1.539 0.664 1.850) 2.497 32.342 ( -1.920 -2.011 -1.285) 3.063 35.869 ( 2.053 18.148 5.328) 19.025 35.979 ( -0.489 11.422 -6.222) 13.016 36.173 ( -7.406 0.822 2.262) 7.787 36.237 ( -7.523 -2.416 -4.751) 9.219 37.509 ( 4.298 -0.731 1.882) 4.749 37.553 ( 4.719 -4.401 -2.740) 7.010 37.731 ( -5.297 -4.267 4.014) 7.898 37.793 ( -5.767 -9.452 -2.624) 11.379 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -6.942 2.415 0.850) 7.399 1.489 ( 6.942 2.415 0.850) 7.399 1.554 ( -5.484 -3.371 -4.930) 8.108 1.554 ( 5.484 -3.371 -4.930) 8.108 2.273 ( -2.591 6.575 4.763) 8.522 2.273 ( 2.591 6.575 4.763) 8.522 2.463 ( -2.957 -10.610 4.133) 11.764 2.463 ( 2.957 -10.610 4.133) 11.764 3.012 ( -4.020 11.365 -4.095) 12.732 3.012 ( 4.020 11.365 -4.095) 12.732 3.230 ( -5.351 -8.099 -3.991) 10.495 3.230 ( 5.351 -8.099 -3.991) 10.495 3.752 ( -0.845 15.101 -0.131) 15.125 3.752 ( 0.845 15.101 -0.131) 15.125 3.951 ( -0.627 -1.668 -0.834) 1.967 3.951 ( 0.627 -1.668 -0.834) 1.967 4.424 ( -5.307 2.594 4.514) 7.435 4.424 ( 5.307 2.594 4.514) 7.435 4.498 ( -6.054 -4.984 -3.032) 8.407 4.498 ( 6.054 -4.984 -3.032) 8.407 4.735 ( -3.343 16.321 3.725) 17.071 4.735 ( 3.343 16.321 3.725) 17.071 5.109 ( -0.628 -14.068 2.222) 14.257 5.109 ( 0.628 -14.068 2.222) 14.257 5.591 ( -1.903 13.909 1.052) 14.078 5.591 ( 1.903 13.909 1.052) 14.078 5.656 ( -1.735 4.920 1.698) 5.486 5.656 ( 1.735 4.920 1.698) 5.486 5.693 ( -3.751 4.186 -1.092) 5.726 5.693 ( 3.751 4.186 -1.092) 5.726 6.054 ( -8.550 -13.895 2.481) 16.502 6.054 ( 8.550 -13.895 2.481) 16.502 6.161 ( -7.393 -4.372 -6.669) 10.875 6.161 ( 7.393 -4.372 -6.669) 10.875 6.187 ( -0.967 -2.734 -5.634) 6.337 6.187 ( 0.967 -2.734 -5.634) 6.337 6.627 ( -1.144 6.043 -1.284) 6.283 6.627 ( 1.144 6.043 -1.284) 6.283 6.778 ( -0.218 -6.487 -1.746) 6.722 6.778 ( 0.218 -6.487 -1.746) 6.722 7.048 ( -2.951 10.331 2.618) 11.058 7.048 ( 2.951 10.331 2.618) 11.058 7.253 ( -1.594 -6.210 1.826) 6.667 7.253 ( 1.594 -6.210 1.826) 6.667 7.540 ( -2.793 4.023 1.124) 5.025 7.540 ( 2.793 4.023 1.124) 5.025 7.642 ( -2.778 -5.659 -0.075) 6.305 7.642 ( 2.778 -5.659 -0.075) 6.305 8.054 ( -3.314 9.560 4.094) 10.915 8.054 ( 3.314 9.560 4.094) 10.915 8.220 ( -4.192 -5.130 2.328) 7.022 8.220 ( 4.192 -5.130 2.328) 7.022 8.571 ( -2.430 1.233 0.589) 2.787 8.571 ( 2.430 1.233 0.589) 2.787 8.645 ( -3.838 -5.816 -2.706) 7.475 8.645 ( 3.838 -5.816 -2.706) 7.475 9.596 ( -2.148 4.318 -0.518) 4.851 9.596 ( 2.148 4.318 -0.518) 4.851 9.720 ( -2.643 -7.444 -1.197) 7.989 9.720 ( 2.643 -7.444 -1.197) 7.989 11.976 ( -0.571 2.593 0.378) 2.682 11.976 ( 0.571 2.593 0.378) 2.682 12.047 ( -0.496 -4.135 0.047) 4.165 12.047 ( 0.496 -4.135 0.047) 4.165 12.709 ( -1.826 2.502 -0.244) 3.107 12.709 ( 1.826 2.502 -0.244) 3.107 12.768 ( -0.412 -2.168 -1.423) 2.626 12.768 ( 0.412 -2.168 -1.423) 2.626 12.929 ( -1.620 3.954 0.847) 4.356 12.929 ( 1.620 3.954 0.847) 4.356 13.020 ( -2.288 -3.395 -0.315) 4.106 13.020 ( 2.288 -3.395 -0.315) 4.106 13.227 ( -0.876 6.016 0.167) 6.081 13.227 ( 0.876 6.016 0.167) 6.081 13.360 ( -0.566 -6.412 0.498) 6.456 13.360 ( 0.566 -6.412 0.498) 6.456 16.774 ( -0.285 1.730 0.003) 1.753 16.774 ( 0.285 1.730 0.003) 1.753 16.803 ( -0.478 -0.988 -0.578) 1.241 16.803 ( 0.478 -0.988 -0.578) 1.241 17.207 ( -0.496 4.686 -0.655) 4.758 17.207 ( 0.496 4.686 -0.655) 4.758 17.308 ( -0.266 -4.801 -0.056) 4.808 17.308 ( 0.266 -4.801 -0.056) 4.808 17.845 ( -0.628 2.024 -0.266) 2.136 17.845 ( 0.628 2.024 -0.266) 2.136 17.874 ( -1.572 -0.260 -0.805) 1.785 17.874 ( 1.572 -0.260 -0.805) 1.785 18.185 ( -0.800 1.085 0.037) 1.349 18.185 ( 0.800 1.085 0.037) 1.349 18.221 ( -0.454 -2.638 0.552) 2.733 18.221 ( 0.454 -2.638 0.552) 2.733 18.607 ( -2.288 1.094 2.184) 3.346 18.607 ( 2.288 1.094 2.184) 3.346 18.634 ( -1.396 -1.322 -0.547) 1.999 18.634 ( 1.396 -1.322 -0.547) 1.999 18.832 ( -1.372 0.673 0.836) 1.742 18.832 ( 1.372 0.673 0.836) 1.742 18.856 ( -1.209 -1.455 -1.403) 2.355 18.856 ( 1.209 -1.455 -1.403) 2.355 29.026 ( -0.180 4.577 -0.169) 4.583 29.026 ( 0.180 4.577 -0.169) 4.583 29.085 ( -0.428 -1.192 -1.092) 1.672 29.085 ( 0.428 -1.192 -1.092) 1.672 29.964 ( -2.085 4.536 0.319) 5.002 29.964 ( 2.085 4.536 0.319) 5.002 30.067 ( -2.560 -5.001 -1.945) 5.945 30.067 ( 2.560 -5.001 -1.945) 5.945 30.479 ( -2.658 -0.191 1.218) 2.930 30.479 ( 2.658 -0.191 1.218) 2.930 30.496 ( -2.595 -1.965 -0.069) 3.256 30.496 ( 2.595 -1.965 -0.069) 3.256 30.998 ( -0.716 7.736 -0.860) 7.817 30.998 ( 0.716 7.736 -0.860) 7.817 31.133 ( -0.835 -4.297 -1.328) 4.575 31.133 ( 0.835 -4.297 -1.328) 4.575 31.488 ( -2.029 0.834 2.157) 3.077 31.488 ( 2.029 0.834 2.157) 3.077 31.538 ( -3.105 -3.308 1.427) 4.756 31.538 ( 3.105 -3.308 1.427) 4.756 32.257 ( -3.339 1.053 1.715) 3.899 32.257 ( 3.339 1.053 1.715) 3.899 32.284 ( -3.694 -1.591 -0.301) 4.034 32.284 ( 3.694 -1.591 -0.301) 4.034 35.936 ( -4.292 15.872 0.908) 16.467 35.936 ( 4.292 15.872 0.908) 16.467 36.121 ( -3.078 -1.514 -2.510) 4.250 36.121 ( 3.078 -1.514 -2.510) 4.250 37.597 ( -3.660 -0.891 2.188) 4.356 37.597 ( 3.660 -0.891 2.188) 4.356 37.685 ( -4.138 -8.782 -1.976) 9.907 37.685 ( 4.138 -8.782 -1.976) 9.907 =================== 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 3/35640 10.0 60.464 47.188 66.085 0.000 0.000 -0.000 3/35640 20.0 9.897 13.849 14.639 0.000 0.000 -0.000 3/35640 30.0 4.838 7.758 6.856 0.000 0.000 0.000 3/35640 40.0 3.338 5.468 4.369 0.000 0.000 0.000 3/35640 50.0 2.619 4.288 3.213 0.000 0.000 0.000 3/35640 60.0 2.189 3.562 2.555 0.000 0.000 0.000 3/35640 70.0 1.900 3.067 2.134 0.000 0.000 0.000 3/35640 80.0 1.692 2.706 1.840 0.000 0.000 0.000 3/35640 90.0 1.533 2.430 1.623 0.000 0.000 0.000 3/35640 100.0 1.408 2.212 1.457 0.000 0.000 0.000 3/35640 110.0 1.306 2.034 1.324 0.000 0.000 0.000 3/35640 120.0 1.220 1.886 1.215 0.000 0.000 0.000 3/35640 130.0 1.146 1.761 1.125 0.000 0.000 0.000 3/35640 140.0 1.083 1.654 1.048 0.000 0.000 0.000 3/35640 150.0 1.026 1.561 0.982 0.000 0.000 0.000 3/35640 160.0 0.977 1.479 0.924 0.000 0.000 0.000 3/35640 170.0 0.932 1.407 0.874 0.000 0.000 0.000 3/35640 180.0 0.892 1.343 0.829 0.000 0.000 0.000 3/35640 190.0 0.855 1.286 0.789 0.000 0.000 0.000 3/35640 200.0 0.822 1.235 0.753 0.000 0.000 0.000 3/35640 210.0 0.792 1.189 0.721 0.000 0.000 0.000 3/35640 220.0 0.765 1.147 0.691 0.000 0.000 0.000 3/35640 230.0 0.739 1.108 0.665 0.000 0.000 0.000 3/35640 240.0 0.716 1.074 0.640 0.000 0.000 0.000 3/35640 250.0 0.694 1.042 0.618 0.000 0.000 0.000 3/35640 260.0 0.674 1.012 0.597 0.000 0.000 0.000 3/35640 270.0 0.656 0.985 0.578 0.000 0.000 0.000 3/35640 280.0 0.638 0.960 0.560 0.000 0.000 0.000 3/35640 290.0 0.622 0.937 0.544 0.000 0.000 0.000 3/35640 300.0 0.607 0.915 0.529 0.000 0.000 0.000 3/35640 310.0 0.593 0.895 0.514 0.000 0.000 0.000 3/35640 320.0 0.580 0.876 0.501 0.000 0.000 0.000 3/35640 330.0 0.567 0.858 0.488 0.000 0.000 0.000 3/35640 340.0 0.555 0.842 0.476 0.000 0.000 0.000 3/35640 350.0 0.544 0.826 0.465 0.000 0.000 0.000 3/35640 360.0 0.533 0.811 0.454 0.000 0.000 0.000 3/35640 370.0 0.523 0.796 0.444 0.000 0.000 0.000 3/35640 380.0 0.513 0.783 0.435 0.000 0.000 0.000 3/35640 390.0 0.504 0.770 0.426 0.000 0.000 0.000 3/35640 400.0 0.495 0.757 0.417 0.000 0.000 0.000 3/35640 410.0 0.486 0.745 0.409 0.000 0.000 0.000 3/35640 420.0 0.478 0.734 0.401 0.000 0.000 0.000 3/35640 430.0 0.470 0.722 0.393 0.000 0.000 0.000 3/35640 440.0 0.462 0.712 0.386 0.000 0.000 0.000 3/35640 450.0 0.455 0.701 0.379 0.000 0.000 0.000 3/35640 460.0 0.448 0.691 0.372 0.000 0.000 0.000 3/35640 470.0 0.441 0.682 0.366 0.000 0.000 0.000 3/35640 480.0 0.434 0.672 0.360 0.000 0.000 0.000 3/35640 490.0 0.428 0.663 0.354 0.000 0.000 0.000 3/35640 500.0 0.422 0.654 0.348 0.000 0.000 0.000 3/35640 510.0 0.416 0.646 0.342 0.000 0.000 0.000 3/35640 520.0 0.410 0.637 0.337 0.000 0.000 0.000 3/35640 530.0 0.404 0.629 0.332 0.000 0.000 0.000 3/35640 540.0 0.399 0.621 0.326 0.000 0.000 0.000 3/35640 550.0 0.393 0.613 0.322 0.000 0.000 0.000 3/35640 560.0 0.388 0.606 0.317 0.000 0.000 0.000 3/35640 570.0 0.383 0.598 0.312 0.000 0.000 0.000 3/35640 580.0 0.378 0.591 0.308 0.000 0.000 0.000 3/35640 590.0 0.373 0.584 0.303 0.000 0.000 0.000 3/35640 600.0 0.368 0.577 0.299 0.000 0.000 0.000 3/35640 610.0 0.364 0.570 0.295 0.000 0.000 0.000 3/35640 620.0 0.359 0.564 0.291 0.000 0.000 0.000 3/35640 630.0 0.355 0.557 0.287 0.000 0.000 0.000 3/35640 640.0 0.350 0.551 0.283 0.000 0.000 0.000 3/35640 650.0 0.346 0.545 0.280 0.000 0.000 0.000 3/35640 660.0 0.342 0.539 0.276 0.000 0.000 0.000 3/35640 670.0 0.338 0.533 0.272 0.000 0.000 0.000 3/35640 680.0 0.334 0.527 0.269 0.000 0.000 0.000 3/35640 690.0 0.330 0.521 0.266 0.000 0.000 0.000 3/35640 700.0 0.327 0.516 0.262 0.000 0.000 0.000 3/35640 710.0 0.323 0.510 0.259 0.000 0.000 0.000 3/35640 720.0 0.319 0.505 0.256 0.000 0.000 0.000 3/35640 730.0 0.316 0.499 0.253 0.000 0.000 0.000 3/35640 740.0 0.312 0.494 0.250 0.000 0.000 0.000 3/35640 750.0 0.309 0.489 0.247 0.000 0.000 0.000 3/35640 760.0 0.306 0.484 0.244 0.000 0.000 0.000 3/35640 770.0 0.302 0.479 0.242 0.000 0.000 0.000 3/35640 780.0 0.299 0.475 0.239 0.000 0.000 0.000 3/35640 790.0 0.296 0.470 0.236 0.000 0.000 0.000 3/35640 800.0 0.293 0.465 0.234 0.000 0.000 0.000 3/35640 810.0 0.290 0.461 0.231 0.000 0.000 0.000 3/35640 820.0 0.287 0.456 0.229 0.000 0.000 0.000 3/35640 830.0 0.284 0.452 0.226 0.000 0.000 0.000 3/35640 840.0 0.281 0.447 0.224 0.000 0.000 0.000 3/35640 850.0 0.279 0.443 0.221 0.000 0.000 0.000 3/35640 860.0 0.276 0.439 0.219 0.000 0.000 0.000 3/35640 870.0 0.273 0.435 0.217 0.000 0.000 0.000 3/35640 880.0 0.271 0.431 0.215 0.000 0.000 0.000 3/35640 890.0 0.268 0.427 0.213 0.000 0.000 0.000 3/35640 900.0 0.265 0.423 0.210 0.000 0.000 0.000 3/35640 910.0 0.263 0.419 0.208 0.000 0.000 0.000 3/35640 920.0 0.260 0.415 0.206 0.000 0.000 0.000 3/35640 930.0 0.258 0.412 0.204 0.000 0.000 0.000 3/35640 940.0 0.256 0.408 0.202 0.000 0.000 0.000 3/35640 950.0 0.253 0.405 0.200 0.000 0.000 0.000 3/35640 960.0 0.251 0.401 0.199 0.000 0.000 0.000 3/35640 970.0 0.249 0.398 0.197 0.000 0.000 0.000 3/35640 980.0 0.247 0.394 0.195 0.000 0.000 0.000 3/35640 990.0 0.244 0.391 0.193 0.000 0.000 0.000 3/35640 1000.0 0.242 0.387 0.191 0.000 0.000 0.000 3/35640 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:28:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|