----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:33:04]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.115445860007615 0.000000000000000 0.000000000000000 b 0.000000000000000 7.015262250000002 0.000000000000000 c -0.184457014264333 0.000000000000000 9.873953069873840 Atomic positions (fractional): *1 Rb 0.49967887933860 0.25000000000000 0.61309915096486 85.468 2 Rb 0.50032112066140 0.75000000000000 0.38690084903514 85.468 *3 Rb 0.02552246517233 0.75000000000000 0.13953974969198 85.468 4 Rb 0.97447753482767 0.25000000000000 0.86046025030802 85.468 *5 Na 0.28526618634169 0.25000000000000 0.25605980514943 22.990 6 Na 0.71473381365831 0.75000000000000 0.74394019485058 22.990 *7 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 8 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 *9 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 10 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 *11 Al 0.79454169804498 0.25000000000000 0.22592717129285 26.982 12 Al 0.20545830195501 0.75000000000000 0.77407282870715 26.982 *13 F 0.42150401689783 0.25000000000000 0.99384517686098 18.998 14 F 0.57849598310217 0.75000000000000 0.00615482313902 18.998 *15 F 0.00825953025624 0.25000000000000 0.13701929691426 18.998 16 F 0.99174046974376 0.75000000000000 0.86298070308574 18.998 *17 F 0.01471806706368 0.75000000000000 0.44346680946452 18.998 18 F 0.98528193293632 0.25000000000000 0.55653319053548 18.998 *19 F 0.41058279465187 0.75000000000000 0.67889189036368 18.998 20 F 0.58941720534813 0.25000000000000 0.32110810963632 18.998 *21 F 0.63779373975633 0.03389884840695 0.85519193497675 18.998 22 F 0.36220626024367 0.53389884840695 0.14480806502325 18.998 23 F 0.36220626024367 0.96610115159305 0.14480806502325 18.998 24 F 0.63779373975633 0.46610115159305 0.85519193497675 18.998 *25 F 0.70449471464125 0.06348008060704 0.10980163840980 18.998 26 F 0.29550528535875 0.56348008060704 0.89019836159020 18.998 27 F 0.29550528535875 0.93651991939296 0.89019836159020 18.998 28 F 0.70449471464125 0.43651991939296 0.10980163840980 18.998 *29 F 0.77425079753490 0.95918361952587 0.56548766158822 18.998 30 F 0.22574920246510 0.45918361952587 0.43451233841178 18.998 31 F 0.22574920246510 0.04081638047413 0.43451233841178 18.998 32 F 0.77425079753490 0.54081638047413 0.56548766158822 18.998 *33 F 0.10627240773371 0.55823571456723 0.66606039698222 18.998 34 F 0.89372759226629 0.05823571456723 0.33393960301778 18.998 35 F 0.89372759226629 0.44176428543277 0.33393960301778 18.998 36 F 0.10627240773371 0.94176428543277 0.66606039698222 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.115445860007615 0.000000000000000 0.000000000000000 b 0.000000000000000 7.015262250000002 0.000000000000000 c -0.184457014264333 0.000000000000000 9.873953069873840 Atomic positions (fractional): *1 Rb 0.49967887933860 0.25000000000000 0.61309915096486 85.468 > 1 2 Rb 0.50032112066140 0.75000000000000 0.38690084903514 85.468 > 2 *3 Rb 0.02552246517233 0.75000000000000 0.13953974969198 85.468 > 3 4 Rb 0.97447753482767 0.25000000000000 0.86046025030802 85.468 > 4 *5 Na 0.28526618634169 0.25000000000000 0.25605980514943 22.990 > 5 6 Na 0.71473381365831 0.75000000000000 0.74394019485058 22.990 > 6 *7 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 7 8 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 8 *9 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 9 10 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 10 *11 Al 0.79454169804498 0.25000000000000 0.22592717129285 26.982 > 11 12 Al 0.20545830195501 0.75000000000000 0.77407282870715 26.982 > 12 *13 F 0.42150401689783 0.25000000000000 0.99384517686098 18.998 > 13 14 F 0.57849598310217 0.75000000000000 0.00615482313902 18.998 > 14 *15 F 0.00825953025624 0.25000000000000 0.13701929691426 18.998 > 15 16 F 0.99174046974376 0.75000000000000 0.86298070308574 18.998 > 16 *17 F 0.01471806706368 0.75000000000000 0.44346680946452 18.998 > 17 18 F 0.98528193293632 0.25000000000000 0.55653319053548 18.998 > 18 *19 F 0.41058279465187 0.75000000000000 0.67889189036368 18.998 > 19 20 F 0.58941720534813 0.25000000000000 0.32110810963632 18.998 > 20 *21 F 0.63779373975633 0.03389884840695 0.85519193497675 18.998 > 21 22 F 0.36220626024367 0.53389884840695 0.14480806502325 18.998 > 22 23 F 0.36220626024367 0.96610115159305 0.14480806502325 18.998 > 23 24 F 0.63779373975633 0.46610115159305 0.85519193497675 18.998 > 24 *25 F 0.70449471464125 0.06348008060704 0.10980163840980 18.998 > 25 26 F 0.29550528535875 0.56348008060704 0.89019836159020 18.998 > 26 27 F 0.29550528535875 0.93651991939296 0.89019836159020 18.998 > 27 28 F 0.70449471464125 0.43651991939296 0.10980163840980 18.998 > 28 *29 F 0.77425079753490 0.95918361952587 0.56548766158822 18.998 > 29 30 F 0.22574920246510 0.45918361952587 0.43451233841178 18.998 > 30 31 F 0.22574920246510 0.04081638047413 0.43451233841178 18.998 > 31 32 F 0.77425079753490 0.54081638047413 0.56548766158822 18.998 > 32 *33 F 0.10627240773371 0.55823571456723 0.66606039698222 18.998 > 33 34 F 0.89372759226629 0.05823571456723 0.33393960301778 18.998 > 34 35 F 0.89372759226629 0.44176428543277 0.33393960301778 18.998 > 35 36 F 0.10627240773371 0.94176428543277 0.66606039698222 18.998 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.230891720015229 0.000000000000000 0.000000000000000 b 0.000000000000000 14.030524500000004 0.000000000000000 c -0.184457014264333 0.000000000000000 9.873953069873840 Atomic positions (fractional): *1 Rb 0.24983943966930 0.12500000000000 0.61309915096486 85.468 > 1 2 Rb 0.74983943966930 0.12500000000000 0.61309915096486 85.468 > 1 3 Rb 0.24983943966930 0.62500000000000 0.61309915096486 85.468 > 1 4 Rb 0.74983943966930 0.62500000000000 0.61309915096486 85.468 > 1 5 Rb 0.25016056033070 0.37500000000000 0.38690084903514 85.468 > 2 6 Rb 0.75016056033070 0.37500000000000 0.38690084903514 85.468 > 2 7 Rb 0.25016056033070 0.87500000000000 0.38690084903514 85.468 > 2 8 Rb 0.75016056033070 0.87500000000000 0.38690084903514 85.468 > 2 *9 Rb 0.01276123258617 0.37500000000000 0.13953974969198 85.468 > 3 10 Rb 0.51276123258617 0.37500000000000 0.13953974969198 85.468 > 3 11 Rb 0.01276123258617 0.87500000000000 0.13953974969198 85.468 > 3 12 Rb 0.51276123258617 0.87500000000000 0.13953974969198 85.468 > 3 13 Rb 0.48723876741383 0.12500000000000 0.86046025030802 85.468 > 4 14 Rb 0.98723876741383 0.12500000000000 0.86046025030802 85.468 > 4 15 Rb 0.48723876741383 0.62500000000000 0.86046025030802 85.468 > 4 16 Rb 0.98723876741383 0.62500000000000 0.86046025030802 85.468 > 4 *17 Na 0.14263309317084 0.12500000000000 0.25605980514943 22.990 > 5 18 Na 0.64263309317084 0.12500000000000 0.25605980514943 22.990 > 5 19 Na 0.14263309317084 0.62500000000000 0.25605980514943 22.990 > 5 20 Na 0.64263309317084 0.62500000000000 0.25605980514943 22.990 > 5 21 Na 0.35736690682916 0.37500000000000 0.74394019485058 22.990 > 6 22 Na 0.85736690682916 0.37500000000000 0.74394019485058 22.990 > 6 23 Na 0.35736690682916 0.87500000000000 0.74394019485058 22.990 > 6 24 Na 0.85736690682916 0.87500000000000 0.74394019485058 22.990 > 6 *25 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 7 26 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 7 27 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 7 28 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 7 29 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 8 30 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 8 31 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 8 32 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 8 *33 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 9 34 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 9 35 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 9 36 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 9 37 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 10 38 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 10 39 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 10 40 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 10 *41 Al 0.39727084902249 0.12500000000000 0.22592717129285 26.982 > 11 42 Al 0.89727084902249 0.12500000000000 0.22592717129285 26.982 > 11 43 Al 0.39727084902249 0.62500000000000 0.22592717129285 26.982 > 11 44 Al 0.89727084902249 0.62500000000000 0.22592717129285 26.982 > 11 45 Al 0.10272915097751 0.37500000000000 0.77407282870715 26.982 > 12 46 Al 0.60272915097751 0.37500000000000 0.77407282870715 26.982 > 12 47 Al 0.10272915097751 0.87500000000000 0.77407282870715 26.982 > 12 48 Al 0.60272915097751 0.87500000000000 0.77407282870715 26.982 > 12 *49 F 0.21075200844891 0.12500000000000 0.99384517686098 18.998 > 13 50 F 0.71075200844891 0.12500000000000 0.99384517686098 18.998 > 13 51 F 0.21075200844891 0.62500000000000 0.99384517686098 18.998 > 13 52 F 0.71075200844891 0.62500000000000 0.99384517686098 18.998 > 13 53 F 0.28924799155109 0.37500000000000 0.00615482313902 18.998 > 14 54 F 0.78924799155109 0.37500000000000 0.00615482313902 18.998 > 14 55 F 0.28924799155109 0.87500000000000 0.00615482313902 18.998 > 14 56 F 0.78924799155109 0.87500000000000 0.00615482313902 18.998 > 14 *57 F 0.00412976512812 0.12500000000000 0.13701929691426 18.998 > 15 58 F 0.50412976512812 0.12500000000000 0.13701929691426 18.998 > 15 59 F 0.00412976512812 0.62500000000000 0.13701929691426 18.998 > 15 60 F 0.50412976512812 0.62500000000000 0.13701929691426 18.998 > 15 61 F 0.49587023487188 0.37500000000000 0.86298070308574 18.998 > 16 62 F 0.99587023487188 0.37500000000000 0.86298070308574 18.998 > 16 63 F 0.49587023487188 0.87500000000000 0.86298070308574 18.998 > 16 64 F 0.99587023487188 0.87500000000000 0.86298070308574 18.998 > 16 *65 F 0.00735903353184 0.37500000000000 0.44346680946452 18.998 > 17 66 F 0.50735903353184 0.37500000000000 0.44346680946452 18.998 > 17 67 F 0.00735903353184 0.87500000000000 0.44346680946452 18.998 > 17 68 F 0.50735903353184 0.87500000000000 0.44346680946452 18.998 > 17 69 F 0.49264096646816 0.12500000000000 0.55653319053548 18.998 > 18 70 F 0.99264096646816 0.12500000000000 0.55653319053548 18.998 > 18 71 F 0.49264096646816 0.62500000000000 0.55653319053548 18.998 > 18 72 F 0.99264096646816 0.62500000000000 0.55653319053548 18.998 > 18 *73 F 0.20529139732593 0.37500000000000 0.67889189036368 18.998 > 19 74 F 0.70529139732593 0.37500000000000 0.67889189036368 18.998 > 19 75 F 0.20529139732593 0.87500000000000 0.67889189036368 18.998 > 19 76 F 0.70529139732593 0.87500000000000 0.67889189036368 18.998 > 19 77 F 0.29470860267407 0.12500000000000 0.32110810963632 18.998 > 20 78 F 0.79470860267407 0.12500000000000 0.32110810963632 18.998 > 20 79 F 0.29470860267407 0.62500000000000 0.32110810963632 18.998 > 20 80 F 0.79470860267407 0.62500000000000 0.32110810963632 18.998 > 20 *81 F 0.31889686987816 0.01694942420347 0.85519193497675 18.998 > 21 82 F 0.81889686987816 0.01694942420347 0.85519193497675 18.998 > 21 83 F 0.31889686987816 0.51694942420347 0.85519193497675 18.998 > 21 84 F 0.81889686987816 0.51694942420347 0.85519193497675 18.998 > 21 85 F 0.18110313012184 0.26694942420347 0.14480806502325 18.998 > 22 86 F 0.68110313012184 0.26694942420347 0.14480806502325 18.998 > 22 87 F 0.18110313012184 0.76694942420347 0.14480806502325 18.998 > 22 88 F 0.68110313012184 0.76694942420347 0.14480806502325 18.998 > 22 89 F 0.18110313012184 0.48305057579653 0.14480806502325 18.998 > 23 90 F 0.68110313012184 0.48305057579653 0.14480806502325 18.998 > 23 91 F 0.18110313012184 0.98305057579653 0.14480806502325 18.998 > 23 92 F 0.68110313012184 0.98305057579653 0.14480806502325 18.998 > 23 93 F 0.31889686987816 0.23305057579653 0.85519193497675 18.998 > 24 94 F 0.81889686987816 0.23305057579653 0.85519193497675 18.998 > 24 95 F 0.31889686987816 0.73305057579653 0.85519193497675 18.998 > 24 96 F 0.81889686987816 0.73305057579653 0.85519193497675 18.998 > 24 *97 F 0.35224735732063 0.03174004030352 0.10980163840980 18.998 > 25 98 F 0.85224735732063 0.03174004030352 0.10980163840980 18.998 > 25 99 F 0.35224735732063 0.53174004030352 0.10980163840980 18.998 > 25 100 F 0.85224735732063 0.53174004030352 0.10980163840980 18.998 > 25 101 F 0.14775264267937 0.28174004030352 0.89019836159020 18.998 > 26 102 F 0.64775264267937 0.28174004030352 0.89019836159020 18.998 > 26 103 F 0.14775264267937 0.78174004030352 0.89019836159020 18.998 > 26 104 F 0.64775264267937 0.78174004030352 0.89019836159020 18.998 > 26 105 F 0.14775264267937 0.46825995969648 0.89019836159020 18.998 > 27 106 F 0.64775264267937 0.46825995969648 0.89019836159020 18.998 > 27 107 F 0.14775264267937 0.96825995969648 0.89019836159020 18.998 > 27 108 F 0.64775264267937 0.96825995969648 0.89019836159020 18.998 > 27 109 F 0.35224735732063 0.21825995969648 0.10980163840980 18.998 > 28 110 F 0.85224735732063 0.21825995969648 0.10980163840980 18.998 > 28 111 F 0.35224735732063 0.71825995969648 0.10980163840980 18.998 > 28 112 F 0.85224735732063 0.71825995969648 0.10980163840980 18.998 > 28 *113 F 0.38712539876745 0.47959180976294 0.56548766158822 18.998 > 29 114 F 0.88712539876745 0.47959180976294 0.56548766158822 18.998 > 29 115 F 0.38712539876745 0.97959180976294 0.56548766158822 18.998 > 29 116 F 0.88712539876745 0.97959180976294 0.56548766158822 18.998 > 29 117 F 0.11287460123255 0.22959180976294 0.43451233841178 18.998 > 30 118 F 0.61287460123255 0.22959180976294 0.43451233841178 18.998 > 30 119 F 0.11287460123255 0.72959180976294 0.43451233841178 18.998 > 30 120 F 0.61287460123255 0.72959180976294 0.43451233841178 18.998 > 30 121 F 0.11287460123255 0.02040819023706 0.43451233841178 18.998 > 31 122 F 0.61287460123255 0.02040819023706 0.43451233841178 18.998 > 31 123 F 0.11287460123255 0.52040819023706 0.43451233841178 18.998 > 31 124 F 0.61287460123255 0.52040819023706 0.43451233841178 18.998 > 31 125 F 0.38712539876745 0.27040819023706 0.56548766158822 18.998 > 32 126 F 0.88712539876745 0.27040819023706 0.56548766158822 18.998 > 32 127 F 0.38712539876745 0.77040819023706 0.56548766158822 18.998 > 32 128 F 0.88712539876745 0.77040819023706 0.56548766158822 18.998 > 32 *129 F 0.05313620386685 0.27911785728362 0.66606039698222 18.998 > 33 130 F 0.55313620386685 0.27911785728362 0.66606039698222 18.998 > 33 131 F 0.05313620386685 0.77911785728362 0.66606039698222 18.998 > 33 132 F 0.55313620386685 0.77911785728362 0.66606039698222 18.998 > 33 133 F 0.44686379613315 0.02911785728362 0.33393960301778 18.998 > 34 134 F 0.94686379613315 0.02911785728362 0.33393960301778 18.998 > 34 135 F 0.44686379613315 0.52911785728362 0.33393960301778 18.998 > 34 136 F 0.94686379613315 0.52911785728362 0.33393960301778 18.998 > 34 137 F 0.44686379613315 0.22088214271638 0.33393960301778 18.998 > 35 138 F 0.94686379613315 0.22088214271638 0.33393960301778 18.998 > 35 139 F 0.44686379613315 0.72088214271638 0.33393960301778 18.998 > 35 140 F 0.94686379613315 0.72088214271638 0.33393960301778 18.998 > 35 141 F 0.05313620386685 0.47088214271638 0.66606039698222 18.998 > 36 142 F 0.55313620386685 0.47088214271638 0.66606039698222 18.998 > 36 143 F 0.05313620386685 0.97088214271638 0.66606039698222 18.998 > 36 144 F 0.55313620386685 0.97088214271638 0.66606039698222 18.998 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9825895 0.0000000 0.0134716 0.0000000 1.9969929 0.0000000 0.0134718 0.0000000 1.9996397 -------------------------- Born effective charges -------------------------- 1 Rb 1.2261188 0.0000000 0.0529882 0.0000000 1.2207180 0.0000000 0.0536997 0.0000000 1.2653797 2 Rb 1.2261188 0.0000000 0.0529882 0.0000000 1.2207180 0.0000000 0.0536997 0.0000000 1.2653797 3 Rb 1.2540691 0.0000000 -0.0248969 0.0000000 1.2000505 0.0000000 -0.0245444 0.0000000 1.2741110 4 Rb 1.2540691 0.0000000 -0.0248969 0.0000000 1.2000505 0.0000000 -0.0245444 0.0000000 1.2741110 5 Na 1.0973417 0.0000000 -0.0440869 0.0000000 1.0522189 0.0000000 -0.0487213 0.0000000 1.0806517 6 Na 1.0973417 0.0000000 -0.0440869 0.0000000 1.0522189 0.0000000 -0.0487213 0.0000000 1.0806517 7 Al 2.7231326 -0.1229591 0.0541697 -0.1249135 2.9858575 -0.0709771 0.1178787 -0.0877991 2.7466655 8 Al 2.7231326 0.1229591 0.0541697 0.1249135 2.9858575 0.0709771 0.1178787 0.0877991 2.7466655 9 Al 2.6991150 -0.0123118 0.0732183 -0.1048342 2.9589268 -0.0711872 0.1031514 -0.0809754 2.8027146 10 Al 2.6991150 0.0123118 0.0732183 0.1048342 2.9589268 0.0711872 0.1031514 0.0809754 2.8027146 11 Al 2.7241872 0.0000000 0.2339624 0.0000000 2.7750183 0.0000000 0.1390179 0.0000000 2.9207668 12 Al 2.7241872 0.0000000 0.2339624 0.0000000 2.7750183 0.0000000 0.1390179 0.0000000 2.9207668 13 F -0.7773833 0.0000000 -0.0050383 0.0000000 -1.5282213 0.0000000 -0.0157118 0.0000000 -0.7332967 14 F -0.7773833 0.0000000 -0.0050383 0.0000000 -1.5282213 0.0000000 -0.0157118 0.0000000 -0.7332967 15 F -1.0712096 0.0000000 0.0914203 0.0000000 -0.8154617 0.0000000 0.1253439 0.0000000 -1.0599195 16 F -1.0712096 0.0000000 0.0914203 0.0000000 -0.8154617 0.0000000 0.1253439 0.0000000 -1.0599195 17 F -0.7168885 0.0000000 0.0265423 0.0000000 -1.5203751 0.0000000 0.0131198 0.0000000 -0.8433980 18 F -0.7168885 0.0000000 0.0265423 0.0000000 -1.5203751 0.0000000 0.0131198 0.0000000 -0.8433980 19 F -1.0843339 0.0000000 0.1370780 0.0000000 -0.7983074 0.0000000 0.1449489 0.0000000 -1.0106801 20 F -1.0843339 0.0000000 0.1370780 0.0000000 -0.7983074 0.0000000 0.1449489 0.0000000 -1.0106801 21 F -0.9787083 -0.0818749 0.1563544 -0.0931352 -0.8989481 0.0502961 0.1451739 0.0364544 -1.0676459 22 F -0.9787083 0.0818749 0.1563544 0.0931352 -0.8989481 -0.0502961 0.1451739 -0.0364544 -1.0676459 23 F -0.9787083 -0.0818749 0.1563544 -0.0931352 -0.8989481 0.0502961 0.1451739 0.0364544 -1.0676459 24 F -0.9787083 0.0818749 0.1563544 0.0931352 -0.8989481 -0.0502961 0.1451739 -0.0364544 -1.0676459 25 F -1.0446879 -0.1806112 -0.3032015 -0.1878251 -0.9682049 -0.2456803 -0.2957747 -0.2481183 -1.0423305 26 F -1.0446879 0.1806112 -0.3032015 0.1878251 -0.9682049 0.2456803 -0.2957747 0.2481183 -1.0423305 27 F -1.0446879 -0.1806112 -0.3032015 -0.1878251 -0.9682049 -0.2456803 -0.2957747 -0.2481183 -1.0423305 28 F -1.0446879 0.1806112 -0.3032015 0.1878251 -0.9682049 0.2456803 -0.2957747 0.2481183 -1.0423305 29 F -1.1684755 -0.0249156 0.0997931 -0.0117623 -0.9072269 0.0111692 0.0931460 0.0132716 -0.8783585 30 F -1.1684755 0.0249156 0.0997931 0.0117623 -0.9072269 -0.0111692 0.0931460 -0.0132716 -0.8783585 31 F -1.1684755 -0.0249156 0.0997931 -0.0117623 -0.9072269 0.0111692 0.0931460 0.0132716 -0.8783585 32 F -1.1684755 0.0249156 0.0997931 0.0117623 -0.9072269 -0.0111692 0.0931460 -0.0132716 -0.8783585 33 F -0.8452029 -0.1686544 -0.2506245 -0.1721809 -0.9908325 -0.2627940 -0.2466366 -0.2696628 -1.2331626 34 F -0.8452029 0.1686544 -0.2506245 0.1721809 -0.9908325 0.2627940 -0.2466366 0.2696628 -1.2331626 35 F -0.8452029 -0.1686544 -0.2506245 -0.1721809 -0.9908325 -0.2627940 -0.2466366 -0.2696628 -1.2331626 36 F -0.8452029 0.1686544 -0.2506245 0.1721809 -0.9908325 0.2627940 -0.2466366 0.2696628 -1.2331626 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6076 Number of blocks in projector: 6076 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: 1428 Use submatrix version of eigh solver. (1) Block: 500 / 1428 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1428 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1428 / 1428 (1) 415 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1172 Use submatrix version of eigh solver. (1) Block: 500 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1172 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1172 / 1172 (1) 162 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1172 Use submatrix version of eigh solver. (1) Block: 500 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1172 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1172 / 1172 (1) 162 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6076, 5983), data: False |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1172, 1160), data: False |-- (1172, 18), data: (1172, 30) @ (30, 18) |-- (172, 162), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1172, 1160), data: False |-- (1172, 18), data: (1172, 30) @ (30, 18) |-- (172, 162), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1428, 1401), data: False |-- (1428, 36), data: (1428, 63) @ (63, 36) |-- (428, 415), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 17), data: (500, 44) @ (44, 17) |-- (250, 223), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.912 Solver_block: 200 / 1120 - Time: 1.698 Solver_block: 300 / 1120 - Time: 1.697 Solver_block: 400 / 1120 - Time: 1.695 Solver_block: 500 / 1120 - Time: 1.695 Solver_block: 600 / 1120 - Time: 1.697 Solver_block: 700 / 1120 - Time: 1.692 Solver_block: 800 / 1120 - Time: 1.695 Solver_block: 900 / 1120 - Time: 1.697 Solver_block: 1000 / 1120 - Time: 1.698 Solver_block: 1100 / 1120 - Time: 1.695 Solver_block: 1120 / 1120 - Time: 0.513 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.896 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6076 Number of blocks in projector: 6076 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: 1428 Use submatrix version of eigh solver. (1) Block: 500 / 1428 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1428 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1428 / 1428 (1) 415 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1172 Use submatrix version of eigh solver. (1) Block: 500 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1172 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1172 / 1172 (1) 162 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1172 Use submatrix version of eigh solver. (1) Block: 500 / 1172 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1000 / 1172 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1172 / 1172 (1) 162 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6076, 5983), data: False |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (768, 754), data: False |-- (768, 9), data: (768, 23) @ (23, 9) |-- (268, 259), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1172, 1160), data: False |-- (1172, 18), data: (1172, 30) @ (30, 18) |-- (172, 162), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1172, 1160), data: False |-- (1172, 18), data: (1172, 30) @ (30, 18) |-- (172, 162), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1428, 1401), data: False |-- (1428, 36), data: (1428, 63) @ (63, 36) |-- (428, 415), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 17), data: (500, 44) @ (44, 17) |-- (250, 223), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:34:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:34:26]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.115445860007615 0.000000000000000 0.000000000000000 b 0.000000000000000 7.015262250000002 0.000000000000000 c -0.184457014264333 0.000000000000000 9.873953069873840 Atomic positions (fractional): 1 Rb 0.49967887933860 0.25000000000000 0.61309915096486 85.468 2 Rb 0.50032112066140 0.75000000000000 0.38690084903514 85.468 3 Rb 0.02552246517233 0.75000000000000 0.13953974969198 85.468 4 Rb 0.97447753482767 0.25000000000000 0.86046025030802 85.468 5 Na 0.28526618634169 0.25000000000000 0.25605980514943 22.990 6 Na 0.71473381365831 0.75000000000000 0.74394019485058 22.990 7 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 8 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 9 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 10 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 11 Al 0.79454169804498 0.25000000000000 0.22592717129285 26.982 12 Al 0.20545830195501 0.75000000000000 0.77407282870715 26.982 13 F 0.42150401689783 0.25000000000000 0.99384517686098 18.998 14 F 0.57849598310217 0.75000000000000 0.00615482313902 18.998 15 F 0.00825953025624 0.25000000000000 0.13701929691426 18.998 16 F 0.99174046974376 0.75000000000000 0.86298070308574 18.998 17 F 0.01471806706368 0.75000000000000 0.44346680946452 18.998 18 F 0.98528193293632 0.25000000000000 0.55653319053548 18.998 19 F 0.41058279465187 0.75000000000000 0.67889189036368 18.998 20 F 0.58941720534813 0.25000000000000 0.32110810963632 18.998 21 F 0.63779373975633 0.03389884840695 0.85519193497675 18.998 22 F 0.36220626024367 0.53389884840695 0.14480806502325 18.998 23 F 0.36220626024367 0.96610115159305 0.14480806502325 18.998 24 F 0.63779373975633 0.46610115159305 0.85519193497675 18.998 25 F 0.70449471464125 0.06348008060704 0.10980163840980 18.998 26 F 0.29550528535875 0.56348008060704 0.89019836159020 18.998 27 F 0.29550528535875 0.93651991939296 0.89019836159020 18.998 28 F 0.70449471464125 0.43651991939296 0.10980163840980 18.998 29 F 0.77425079753490 0.95918361952587 0.56548766158822 18.998 30 F 0.22574920246510 0.45918361952587 0.43451233841178 18.998 31 F 0.22574920246510 0.04081638047413 0.43451233841178 18.998 32 F 0.77425079753490 0.54081638047413 0.56548766158822 18.998 33 F 0.10627240773371 0.55823571456723 0.66606039698222 18.998 34 F 0.89372759226629 0.05823571456723 0.33393960301778 18.998 35 F 0.89372759226629 0.44176428543277 0.33393960301778 18.998 36 F 0.10627240773371 0.94176428543277 0.66606039698222 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.230891720015229 0.000000000000000 0.000000000000000 b 0.000000000000000 14.030524500000004 0.000000000000000 c -0.184457014264333 0.000000000000000 9.873953069873840 Atomic positions (fractional): 1 Rb 0.24983943966930 0.12500000000000 0.61309915096486 85.468 > 1 2 Rb 0.74983943966930 0.12500000000000 0.61309915096486 85.468 > 1 3 Rb 0.24983943966930 0.62500000000000 0.61309915096486 85.468 > 1 4 Rb 0.74983943966930 0.62500000000000 0.61309915096486 85.468 > 1 5 Rb 0.25016056033070 0.37500000000000 0.38690084903514 85.468 > 5 6 Rb 0.75016056033070 0.37500000000000 0.38690084903514 85.468 > 5 7 Rb 0.25016056033070 0.87500000000000 0.38690084903514 85.468 > 5 8 Rb 0.75016056033070 0.87500000000000 0.38690084903514 85.468 > 5 9 Rb 0.01276123258617 0.37500000000000 0.13953974969198 85.468 > 9 10 Rb 0.51276123258617 0.37500000000000 0.13953974969198 85.468 > 9 11 Rb 0.01276123258617 0.87500000000000 0.13953974969198 85.468 > 9 12 Rb 0.51276123258617 0.87500000000000 0.13953974969198 85.468 > 9 13 Rb 0.48723876741383 0.12500000000000 0.86046025030802 85.468 > 13 14 Rb 0.98723876741383 0.12500000000000 0.86046025030802 85.468 > 13 15 Rb 0.48723876741383 0.62500000000000 0.86046025030802 85.468 > 13 16 Rb 0.98723876741383 0.62500000000000 0.86046025030802 85.468 > 13 17 Na 0.14263309317084 0.12500000000000 0.25605980514943 22.990 > 17 18 Na 0.64263309317084 0.12500000000000 0.25605980514943 22.990 > 17 19 Na 0.14263309317084 0.62500000000000 0.25605980514943 22.990 > 17 20 Na 0.64263309317084 0.62500000000000 0.25605980514943 22.990 > 17 21 Na 0.35736690682916 0.37500000000000 0.74394019485058 22.990 > 21 22 Na 0.85736690682916 0.37500000000000 0.74394019485058 22.990 > 21 23 Na 0.35736690682916 0.87500000000000 0.74394019485058 22.990 > 21 24 Na 0.85736690682916 0.87500000000000 0.74394019485058 22.990 > 21 25 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 25 26 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 25 27 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 25 28 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 25 29 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 29 30 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 29 31 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 29 32 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 29 33 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 33 34 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 33 35 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 33 36 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 33 37 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 37 38 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 37 39 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 37 40 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 37 41 Al 0.39727084902249 0.12500000000000 0.22592717129285 26.982 > 41 42 Al 0.89727084902249 0.12500000000000 0.22592717129285 26.982 > 41 43 Al 0.39727084902249 0.62500000000000 0.22592717129285 26.982 > 41 44 Al 0.89727084902249 0.62500000000000 0.22592717129285 26.982 > 41 45 Al 0.10272915097751 0.37500000000000 0.77407282870715 26.982 > 45 46 Al 0.60272915097751 0.37500000000000 0.77407282870715 26.982 > 45 47 Al 0.10272915097751 0.87500000000000 0.77407282870715 26.982 > 45 48 Al 0.60272915097751 0.87500000000000 0.77407282870715 26.982 > 45 49 F 0.21075200844891 0.12500000000000 0.99384517686098 18.998 > 49 50 F 0.71075200844891 0.12500000000000 0.99384517686098 18.998 > 49 51 F 0.21075200844891 0.62500000000000 0.99384517686098 18.998 > 49 52 F 0.71075200844891 0.62500000000000 0.99384517686098 18.998 > 49 53 F 0.28924799155109 0.37500000000000 0.00615482313902 18.998 > 53 54 F 0.78924799155109 0.37500000000000 0.00615482313902 18.998 > 53 55 F 0.28924799155109 0.87500000000000 0.00615482313902 18.998 > 53 56 F 0.78924799155109 0.87500000000000 0.00615482313902 18.998 > 53 57 F 0.00412976512812 0.12500000000000 0.13701929691426 18.998 > 57 58 F 0.50412976512812 0.12500000000000 0.13701929691426 18.998 > 57 59 F 0.00412976512812 0.62500000000000 0.13701929691426 18.998 > 57 60 F 0.50412976512812 0.62500000000000 0.13701929691426 18.998 > 57 61 F 0.49587023487188 0.37500000000000 0.86298070308574 18.998 > 61 62 F 0.99587023487188 0.37500000000000 0.86298070308574 18.998 > 61 63 F 0.49587023487188 0.87500000000000 0.86298070308574 18.998 > 61 64 F 0.99587023487188 0.87500000000000 0.86298070308574 18.998 > 61 65 F 0.00735903353184 0.37500000000000 0.44346680946452 18.998 > 65 66 F 0.50735903353184 0.37500000000000 0.44346680946452 18.998 > 65 67 F 0.00735903353184 0.87500000000000 0.44346680946452 18.998 > 65 68 F 0.50735903353184 0.87500000000000 0.44346680946452 18.998 > 65 69 F 0.49264096646816 0.12500000000000 0.55653319053548 18.998 > 69 70 F 0.99264096646816 0.12500000000000 0.55653319053548 18.998 > 69 71 F 0.49264096646816 0.62500000000000 0.55653319053548 18.998 > 69 72 F 0.99264096646816 0.62500000000000 0.55653319053548 18.998 > 69 73 F 0.20529139732593 0.37500000000000 0.67889189036368 18.998 > 73 74 F 0.70529139732593 0.37500000000000 0.67889189036368 18.998 > 73 75 F 0.20529139732593 0.87500000000000 0.67889189036368 18.998 > 73 76 F 0.70529139732593 0.87500000000000 0.67889189036368 18.998 > 73 77 F 0.29470860267407 0.12500000000000 0.32110810963632 18.998 > 77 78 F 0.79470860267407 0.12500000000000 0.32110810963632 18.998 > 77 79 F 0.29470860267407 0.62500000000000 0.32110810963632 18.998 > 77 80 F 0.79470860267407 0.62500000000000 0.32110810963632 18.998 > 77 81 F 0.31889686987816 0.01694942420347 0.85519193497675 18.998 > 81 82 F 0.81889686987816 0.01694942420347 0.85519193497675 18.998 > 81 83 F 0.31889686987816 0.51694942420347 0.85519193497675 18.998 > 81 84 F 0.81889686987816 0.51694942420347 0.85519193497675 18.998 > 81 85 F 0.18110313012184 0.26694942420347 0.14480806502325 18.998 > 85 86 F 0.68110313012184 0.26694942420347 0.14480806502325 18.998 > 85 87 F 0.18110313012184 0.76694942420347 0.14480806502325 18.998 > 85 88 F 0.68110313012184 0.76694942420347 0.14480806502325 18.998 > 85 89 F 0.18110313012184 0.48305057579653 0.14480806502325 18.998 > 89 90 F 0.68110313012184 0.48305057579653 0.14480806502325 18.998 > 89 91 F 0.18110313012184 0.98305057579653 0.14480806502325 18.998 > 89 92 F 0.68110313012184 0.98305057579653 0.14480806502325 18.998 > 89 93 F 0.31889686987816 0.23305057579653 0.85519193497675 18.998 > 93 94 F 0.81889686987816 0.23305057579653 0.85519193497675 18.998 > 93 95 F 0.31889686987816 0.73305057579653 0.85519193497675 18.998 > 93 96 F 0.81889686987816 0.73305057579653 0.85519193497675 18.998 > 93 97 F 0.35224735732063 0.03174004030352 0.10980163840980 18.998 > 97 98 F 0.85224735732063 0.03174004030352 0.10980163840980 18.998 > 97 99 F 0.35224735732063 0.53174004030352 0.10980163840980 18.998 > 97 100 F 0.85224735732063 0.53174004030352 0.10980163840980 18.998 > 97 101 F 0.14775264267937 0.28174004030352 0.89019836159020 18.998 > 101 102 F 0.64775264267937 0.28174004030352 0.89019836159020 18.998 > 101 103 F 0.14775264267937 0.78174004030352 0.89019836159020 18.998 > 101 104 F 0.64775264267937 0.78174004030352 0.89019836159020 18.998 > 101 105 F 0.14775264267937 0.46825995969648 0.89019836159020 18.998 > 105 106 F 0.64775264267937 0.46825995969648 0.89019836159020 18.998 > 105 107 F 0.14775264267937 0.96825995969648 0.89019836159020 18.998 > 105 108 F 0.64775264267937 0.96825995969648 0.89019836159020 18.998 > 105 109 F 0.35224735732063 0.21825995969648 0.10980163840980 18.998 > 109 110 F 0.85224735732063 0.21825995969648 0.10980163840980 18.998 > 109 111 F 0.35224735732063 0.71825995969648 0.10980163840980 18.998 > 109 112 F 0.85224735732063 0.71825995969648 0.10980163840980 18.998 > 109 113 F 0.38712539876745 0.47959180976294 0.56548766158822 18.998 > 113 114 F 0.88712539876745 0.47959180976294 0.56548766158822 18.998 > 113 115 F 0.38712539876745 0.97959180976294 0.56548766158822 18.998 > 113 116 F 0.88712539876745 0.97959180976294 0.56548766158822 18.998 > 113 117 F 0.11287460123255 0.22959180976294 0.43451233841178 18.998 > 117 118 F 0.61287460123255 0.22959180976294 0.43451233841178 18.998 > 117 119 F 0.11287460123255 0.72959180976294 0.43451233841178 18.998 > 117 120 F 0.61287460123255 0.72959180976294 0.43451233841178 18.998 > 117 121 F 0.11287460123255 0.02040819023706 0.43451233841178 18.998 > 121 122 F 0.61287460123255 0.02040819023706 0.43451233841178 18.998 > 121 123 F 0.11287460123255 0.52040819023706 0.43451233841178 18.998 > 121 124 F 0.61287460123255 0.52040819023706 0.43451233841178 18.998 > 121 125 F 0.38712539876745 0.27040819023706 0.56548766158822 18.998 > 125 126 F 0.88712539876745 0.27040819023706 0.56548766158822 18.998 > 125 127 F 0.38712539876745 0.77040819023706 0.56548766158822 18.998 > 125 128 F 0.88712539876745 0.77040819023706 0.56548766158822 18.998 > 125 129 F 0.05313620386685 0.27911785728362 0.66606039698222 18.998 > 129 130 F 0.55313620386685 0.27911785728362 0.66606039698222 18.998 > 129 131 F 0.05313620386685 0.77911785728362 0.66606039698222 18.998 > 129 132 F 0.55313620386685 0.77911785728362 0.66606039698222 18.998 > 129 133 F 0.44686379613315 0.02911785728362 0.33393960301778 18.998 > 133 134 F 0.94686379613315 0.02911785728362 0.33393960301778 18.998 > 133 135 F 0.44686379613315 0.52911785728362 0.33393960301778 18.998 > 133 136 F 0.94686379613315 0.52911785728362 0.33393960301778 18.998 > 133 137 F 0.44686379613315 0.22088214271638 0.33393960301778 18.998 > 137 138 F 0.94686379613315 0.22088214271638 0.33393960301778 18.998 > 137 139 F 0.44686379613315 0.72088214271638 0.33393960301778 18.998 > 137 140 F 0.94686379613315 0.72088214271638 0.33393960301778 18.998 > 137 141 F 0.05313620386685 0.47088214271638 0.66606039698222 18.998 > 141 142 F 0.55313620386685 0.47088214271638 0.66606039698222 18.998 > 141 143 F 0.05313620386685 0.97088214271638 0.66606039698222 18.998 > 141 144 F 0.55313620386685 0.97088214271638 0.66606039698222 18.998 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9825895 0.0000000 0.0134716 0.0000000 1.9969929 0.0000000 0.0134718 0.0000000 1.9996397 -------------------------- Born effective charges -------------------------- 1 Rb 1.2261188 0.0000000 0.0529882 0.0000000 1.2207180 0.0000000 0.0536997 0.0000000 1.2653797 2 Rb 1.2261188 0.0000000 0.0529882 0.0000000 1.2207180 0.0000000 0.0536997 0.0000000 1.2653797 3 Rb 1.2540691 0.0000000 -0.0248969 0.0000000 1.2000505 0.0000000 -0.0245444 0.0000000 1.2741110 4 Rb 1.2540691 0.0000000 -0.0248969 0.0000000 1.2000505 0.0000000 -0.0245444 0.0000000 1.2741110 5 Na 1.0973417 0.0000000 -0.0440869 0.0000000 1.0522189 0.0000000 -0.0487213 0.0000000 1.0806517 6 Na 1.0973417 0.0000000 -0.0440869 0.0000000 1.0522189 0.0000000 -0.0487213 0.0000000 1.0806517 7 Al 2.7231326 -0.1229591 0.0541697 -0.1249135 2.9858575 -0.0709771 0.1178787 -0.0877991 2.7466655 8 Al 2.7231326 0.1229591 0.0541697 0.1249135 2.9858575 0.0709771 0.1178787 0.0877991 2.7466655 9 Al 2.6991150 -0.0123118 0.0732183 -0.1048342 2.9589268 -0.0711872 0.1031514 -0.0809754 2.8027146 10 Al 2.6991150 0.0123118 0.0732183 0.1048342 2.9589268 0.0711872 0.1031514 0.0809754 2.8027146 11 Al 2.7241872 0.0000000 0.2339624 0.0000000 2.7750183 0.0000000 0.1390179 0.0000000 2.9207668 12 Al 2.7241872 0.0000000 0.2339624 0.0000000 2.7750183 0.0000000 0.1390179 0.0000000 2.9207668 13 F -0.7773833 0.0000000 -0.0050383 0.0000000 -1.5282213 0.0000000 -0.0157118 0.0000000 -0.7332967 14 F -0.7773833 0.0000000 -0.0050383 0.0000000 -1.5282213 0.0000000 -0.0157118 0.0000000 -0.7332967 15 F -1.0712096 0.0000000 0.0914203 0.0000000 -0.8154617 0.0000000 0.1253439 0.0000000 -1.0599195 16 F -1.0712096 0.0000000 0.0914203 0.0000000 -0.8154617 0.0000000 0.1253439 0.0000000 -1.0599195 17 F -0.7168885 0.0000000 0.0265423 0.0000000 -1.5203751 0.0000000 0.0131198 0.0000000 -0.8433980 18 F -0.7168885 0.0000000 0.0265423 0.0000000 -1.5203751 0.0000000 0.0131198 0.0000000 -0.8433980 19 F -1.0843339 0.0000000 0.1370780 0.0000000 -0.7983074 0.0000000 0.1449489 0.0000000 -1.0106801 20 F -1.0843339 0.0000000 0.1370780 0.0000000 -0.7983074 0.0000000 0.1449489 0.0000000 -1.0106801 21 F -0.9787083 -0.0818749 0.1563544 -0.0931352 -0.8989481 0.0502961 0.1451739 0.0364544 -1.0676459 22 F -0.9787083 0.0818749 0.1563544 0.0931352 -0.8989481 -0.0502961 0.1451739 -0.0364544 -1.0676459 23 F -0.9787083 -0.0818749 0.1563544 -0.0931352 -0.8989481 0.0502961 0.1451739 0.0364544 -1.0676459 24 F -0.9787083 0.0818749 0.1563544 0.0931352 -0.8989481 -0.0502961 0.1451739 -0.0364544 -1.0676459 25 F -1.0446879 -0.1806112 -0.3032015 -0.1878251 -0.9682049 -0.2456803 -0.2957747 -0.2481183 -1.0423305 26 F -1.0446879 0.1806112 -0.3032015 0.1878251 -0.9682049 0.2456803 -0.2957747 0.2481183 -1.0423305 27 F -1.0446879 -0.1806112 -0.3032015 -0.1878251 -0.9682049 -0.2456803 -0.2957747 -0.2481183 -1.0423305 28 F -1.0446879 0.1806112 -0.3032015 0.1878251 -0.9682049 0.2456803 -0.2957747 0.2481183 -1.0423305 29 F -1.1684755 -0.0249156 0.0997931 -0.0117623 -0.9072269 0.0111692 0.0931460 0.0132716 -0.8783585 30 F -1.1684755 0.0249156 0.0997931 0.0117623 -0.9072269 -0.0111692 0.0931460 -0.0132716 -0.8783585 31 F -1.1684755 -0.0249156 0.0997931 -0.0117623 -0.9072269 0.0111692 0.0931460 0.0132716 -0.8783585 32 F -1.1684755 0.0249156 0.0997931 0.0117623 -0.9072269 -0.0111692 0.0931460 -0.0132716 -0.8783585 33 F -0.8452029 -0.1686544 -0.2506245 -0.1721809 -0.9908325 -0.2627940 -0.2466366 -0.2696628 -1.2331626 34 F -0.8452029 0.1686544 -0.2506245 0.1721809 -0.9908325 0.2627940 -0.2466366 0.2696628 -1.2331626 35 F -0.8452029 -0.1686544 -0.2506245 -0.1721809 -0.9908325 -0.2627940 -0.2466366 -0.2696628 -1.2331626 36 F -0.8452029 0.1686544 -0.2506245 0.1721809 -0.9908325 0.2627940 -0.2466366 0.2696628 -1.2331626 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 113, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 129, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:35:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:35:43]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.115445860007615 0.000000000000000 0.000000000000000 b 0.000000000000000 7.015262250000002 0.000000000000000 c -0.184457014264333 0.000000000000000 9.873953069873840 Atomic positions (fractional): 1 Rb 0.49967887933860 0.25000000000000 0.61309915096486 85.468 2 Rb 0.50032112066140 0.75000000000000 0.38690084903514 85.468 3 Rb 0.02552246517233 0.75000000000000 0.13953974969198 85.468 4 Rb 0.97447753482767 0.25000000000000 0.86046025030802 85.468 5 Na 0.28526618634169 0.25000000000000 0.25605980514943 22.990 6 Na 0.71473381365831 0.75000000000000 0.74394019485058 22.990 7 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 8 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 9 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 10 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 11 Al 0.79454169804498 0.25000000000000 0.22592717129285 26.982 12 Al 0.20545830195501 0.75000000000000 0.77407282870715 26.982 13 F 0.42150401689783 0.25000000000000 0.99384517686098 18.998 14 F 0.57849598310217 0.75000000000000 0.00615482313902 18.998 15 F 0.00825953025624 0.25000000000000 0.13701929691426 18.998 16 F 0.99174046974376 0.75000000000000 0.86298070308574 18.998 17 F 0.01471806706368 0.75000000000000 0.44346680946452 18.998 18 F 0.98528193293632 0.25000000000000 0.55653319053548 18.998 19 F 0.41058279465187 0.75000000000000 0.67889189036368 18.998 20 F 0.58941720534813 0.25000000000000 0.32110810963632 18.998 21 F 0.63779373975633 0.03389884840695 0.85519193497675 18.998 22 F 0.36220626024367 0.53389884840695 0.14480806502325 18.998 23 F 0.36220626024367 0.96610115159305 0.14480806502325 18.998 24 F 0.63779373975633 0.46610115159305 0.85519193497675 18.998 25 F 0.70449471464125 0.06348008060704 0.10980163840980 18.998 26 F 0.29550528535875 0.56348008060704 0.89019836159020 18.998 27 F 0.29550528535875 0.93651991939296 0.89019836159020 18.998 28 F 0.70449471464125 0.43651991939296 0.10980163840980 18.998 29 F 0.77425079753490 0.95918361952587 0.56548766158822 18.998 30 F 0.22574920246510 0.45918361952587 0.43451233841178 18.998 31 F 0.22574920246510 0.04081638047413 0.43451233841178 18.998 32 F 0.77425079753490 0.54081638047413 0.56548766158822 18.998 33 F 0.10627240773371 0.55823571456723 0.66606039698222 18.998 34 F 0.89372759226629 0.05823571456723 0.33393960301778 18.998 35 F 0.89372759226629 0.44176428543277 0.33393960301778 18.998 36 F 0.10627240773371 0.94176428543277 0.66606039698222 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.230891720015229 0.000000000000000 0.000000000000000 b 0.000000000000000 14.030524500000004 0.000000000000000 c -0.184457014264333 0.000000000000000 9.873953069873840 Atomic positions (fractional): 1 Rb 0.24983943966930 0.12500000000000 0.61309915096486 85.468 > 1 2 Rb 0.74983943966930 0.12500000000000 0.61309915096486 85.468 > 1 3 Rb 0.24983943966930 0.62500000000000 0.61309915096486 85.468 > 1 4 Rb 0.74983943966930 0.62500000000000 0.61309915096486 85.468 > 1 5 Rb 0.25016056033070 0.37500000000000 0.38690084903514 85.468 > 5 6 Rb 0.75016056033070 0.37500000000000 0.38690084903514 85.468 > 5 7 Rb 0.25016056033070 0.87500000000000 0.38690084903514 85.468 > 5 8 Rb 0.75016056033070 0.87500000000000 0.38690084903514 85.468 > 5 9 Rb 0.01276123258617 0.37500000000000 0.13953974969198 85.468 > 9 10 Rb 0.51276123258617 0.37500000000000 0.13953974969198 85.468 > 9 11 Rb 0.01276123258617 0.87500000000000 0.13953974969198 85.468 > 9 12 Rb 0.51276123258617 0.87500000000000 0.13953974969198 85.468 > 9 13 Rb 0.48723876741383 0.12500000000000 0.86046025030802 85.468 > 13 14 Rb 0.98723876741383 0.12500000000000 0.86046025030802 85.468 > 13 15 Rb 0.48723876741383 0.62500000000000 0.86046025030802 85.468 > 13 16 Rb 0.98723876741383 0.62500000000000 0.86046025030802 85.468 > 13 17 Na 0.14263309317084 0.12500000000000 0.25605980514943 22.990 > 17 18 Na 0.64263309317084 0.12500000000000 0.25605980514943 22.990 > 17 19 Na 0.14263309317084 0.62500000000000 0.25605980514943 22.990 > 17 20 Na 0.64263309317084 0.62500000000000 0.25605980514943 22.990 > 17 21 Na 0.35736690682916 0.37500000000000 0.74394019485058 22.990 > 21 22 Na 0.85736690682916 0.37500000000000 0.74394019485058 22.990 > 21 23 Na 0.35736690682916 0.87500000000000 0.74394019485058 22.990 > 21 24 Na 0.85736690682916 0.87500000000000 0.74394019485058 22.990 > 21 25 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 25 26 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 25 27 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 25 28 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 25 29 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 29 30 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 29 31 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 29 32 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 29 33 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 33 34 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 33 35 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 33 36 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 33 37 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 37 38 Al 0.50000000000000 0.25000000000000 0.50000000000000 26.982 > 37 39 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 37 40 Al 0.50000000000000 0.75000000000000 0.50000000000000 26.982 > 37 41 Al 0.39727084902249 0.12500000000000 0.22592717129285 26.982 > 41 42 Al 0.89727084902249 0.12500000000000 0.22592717129285 26.982 > 41 43 Al 0.39727084902249 0.62500000000000 0.22592717129285 26.982 > 41 44 Al 0.89727084902249 0.62500000000000 0.22592717129285 26.982 > 41 45 Al 0.10272915097751 0.37500000000000 0.77407282870715 26.982 > 45 46 Al 0.60272915097751 0.37500000000000 0.77407282870715 26.982 > 45 47 Al 0.10272915097751 0.87500000000000 0.77407282870715 26.982 > 45 48 Al 0.60272915097751 0.87500000000000 0.77407282870715 26.982 > 45 49 F 0.21075200844891 0.12500000000000 0.99384517686098 18.998 > 49 50 F 0.71075200844891 0.12500000000000 0.99384517686098 18.998 > 49 51 F 0.21075200844891 0.62500000000000 0.99384517686098 18.998 > 49 52 F 0.71075200844891 0.62500000000000 0.99384517686098 18.998 > 49 53 F 0.28924799155109 0.37500000000000 0.00615482313902 18.998 > 53 54 F 0.78924799155109 0.37500000000000 0.00615482313902 18.998 > 53 55 F 0.28924799155109 0.87500000000000 0.00615482313902 18.998 > 53 56 F 0.78924799155109 0.87500000000000 0.00615482313902 18.998 > 53 57 F 0.00412976512812 0.12500000000000 0.13701929691426 18.998 > 57 58 F 0.50412976512812 0.12500000000000 0.13701929691426 18.998 > 57 59 F 0.00412976512812 0.62500000000000 0.13701929691426 18.998 > 57 60 F 0.50412976512812 0.62500000000000 0.13701929691426 18.998 > 57 61 F 0.49587023487188 0.37500000000000 0.86298070308574 18.998 > 61 62 F 0.99587023487188 0.37500000000000 0.86298070308574 18.998 > 61 63 F 0.49587023487188 0.87500000000000 0.86298070308574 18.998 > 61 64 F 0.99587023487188 0.87500000000000 0.86298070308574 18.998 > 61 65 F 0.00735903353184 0.37500000000000 0.44346680946452 18.998 > 65 66 F 0.50735903353184 0.37500000000000 0.44346680946452 18.998 > 65 67 F 0.00735903353184 0.87500000000000 0.44346680946452 18.998 > 65 68 F 0.50735903353184 0.87500000000000 0.44346680946452 18.998 > 65 69 F 0.49264096646816 0.12500000000000 0.55653319053548 18.998 > 69 70 F 0.99264096646816 0.12500000000000 0.55653319053548 18.998 > 69 71 F 0.49264096646816 0.62500000000000 0.55653319053548 18.998 > 69 72 F 0.99264096646816 0.62500000000000 0.55653319053548 18.998 > 69 73 F 0.20529139732593 0.37500000000000 0.67889189036368 18.998 > 73 74 F 0.70529139732593 0.37500000000000 0.67889189036368 18.998 > 73 75 F 0.20529139732593 0.87500000000000 0.67889189036368 18.998 > 73 76 F 0.70529139732593 0.87500000000000 0.67889189036368 18.998 > 73 77 F 0.29470860267407 0.12500000000000 0.32110810963632 18.998 > 77 78 F 0.79470860267407 0.12500000000000 0.32110810963632 18.998 > 77 79 F 0.29470860267407 0.62500000000000 0.32110810963632 18.998 > 77 80 F 0.79470860267407 0.62500000000000 0.32110810963632 18.998 > 77 81 F 0.31889686987816 0.01694942420347 0.85519193497675 18.998 > 81 82 F 0.81889686987816 0.01694942420347 0.85519193497675 18.998 > 81 83 F 0.31889686987816 0.51694942420347 0.85519193497675 18.998 > 81 84 F 0.81889686987816 0.51694942420347 0.85519193497675 18.998 > 81 85 F 0.18110313012184 0.26694942420347 0.14480806502325 18.998 > 85 86 F 0.68110313012184 0.26694942420347 0.14480806502325 18.998 > 85 87 F 0.18110313012184 0.76694942420347 0.14480806502325 18.998 > 85 88 F 0.68110313012184 0.76694942420347 0.14480806502325 18.998 > 85 89 F 0.18110313012184 0.48305057579653 0.14480806502325 18.998 > 89 90 F 0.68110313012184 0.48305057579653 0.14480806502325 18.998 > 89 91 F 0.18110313012184 0.98305057579653 0.14480806502325 18.998 > 89 92 F 0.68110313012184 0.98305057579653 0.14480806502325 18.998 > 89 93 F 0.31889686987816 0.23305057579653 0.85519193497675 18.998 > 93 94 F 0.81889686987816 0.23305057579653 0.85519193497675 18.998 > 93 95 F 0.31889686987816 0.73305057579653 0.85519193497675 18.998 > 93 96 F 0.81889686987816 0.73305057579653 0.85519193497675 18.998 > 93 97 F 0.35224735732063 0.03174004030352 0.10980163840980 18.998 > 97 98 F 0.85224735732063 0.03174004030352 0.10980163840980 18.998 > 97 99 F 0.35224735732063 0.53174004030352 0.10980163840980 18.998 > 97 100 F 0.85224735732063 0.53174004030352 0.10980163840980 18.998 > 97 101 F 0.14775264267937 0.28174004030352 0.89019836159020 18.998 > 101 102 F 0.64775264267937 0.28174004030352 0.89019836159020 18.998 > 101 103 F 0.14775264267937 0.78174004030352 0.89019836159020 18.998 > 101 104 F 0.64775264267937 0.78174004030352 0.89019836159020 18.998 > 101 105 F 0.14775264267937 0.46825995969648 0.89019836159020 18.998 > 105 106 F 0.64775264267937 0.46825995969648 0.89019836159020 18.998 > 105 107 F 0.14775264267937 0.96825995969648 0.89019836159020 18.998 > 105 108 F 0.64775264267937 0.96825995969648 0.89019836159020 18.998 > 105 109 F 0.35224735732063 0.21825995969648 0.10980163840980 18.998 > 109 110 F 0.85224735732063 0.21825995969648 0.10980163840980 18.998 > 109 111 F 0.35224735732063 0.71825995969648 0.10980163840980 18.998 > 109 112 F 0.85224735732063 0.71825995969648 0.10980163840980 18.998 > 109 113 F 0.38712539876745 0.47959180976294 0.56548766158822 18.998 > 113 114 F 0.88712539876745 0.47959180976294 0.56548766158822 18.998 > 113 115 F 0.38712539876745 0.97959180976294 0.56548766158822 18.998 > 113 116 F 0.88712539876745 0.97959180976294 0.56548766158822 18.998 > 113 117 F 0.11287460123255 0.22959180976294 0.43451233841178 18.998 > 117 118 F 0.61287460123255 0.22959180976294 0.43451233841178 18.998 > 117 119 F 0.11287460123255 0.72959180976294 0.43451233841178 18.998 > 117 120 F 0.61287460123255 0.72959180976294 0.43451233841178 18.998 > 117 121 F 0.11287460123255 0.02040819023706 0.43451233841178 18.998 > 121 122 F 0.61287460123255 0.02040819023706 0.43451233841178 18.998 > 121 123 F 0.11287460123255 0.52040819023706 0.43451233841178 18.998 > 121 124 F 0.61287460123255 0.52040819023706 0.43451233841178 18.998 > 121 125 F 0.38712539876745 0.27040819023706 0.56548766158822 18.998 > 125 126 F 0.88712539876745 0.27040819023706 0.56548766158822 18.998 > 125 127 F 0.38712539876745 0.77040819023706 0.56548766158822 18.998 > 125 128 F 0.88712539876745 0.77040819023706 0.56548766158822 18.998 > 125 129 F 0.05313620386685 0.27911785728362 0.66606039698222 18.998 > 129 130 F 0.55313620386685 0.27911785728362 0.66606039698222 18.998 > 129 131 F 0.05313620386685 0.77911785728362 0.66606039698222 18.998 > 129 132 F 0.55313620386685 0.77911785728362 0.66606039698222 18.998 > 129 133 F 0.44686379613315 0.02911785728362 0.33393960301778 18.998 > 133 134 F 0.94686379613315 0.02911785728362 0.33393960301778 18.998 > 133 135 F 0.44686379613315 0.52911785728362 0.33393960301778 18.998 > 133 136 F 0.94686379613315 0.52911785728362 0.33393960301778 18.998 > 133 137 F 0.44686379613315 0.22088214271638 0.33393960301778 18.998 > 137 138 F 0.94686379613315 0.22088214271638 0.33393960301778 18.998 > 137 139 F 0.44686379613315 0.72088214271638 0.33393960301778 18.998 > 137 140 F 0.94686379613315 0.72088214271638 0.33393960301778 18.998 > 137 141 F 0.05313620386685 0.47088214271638 0.66606039698222 18.998 > 141 142 F 0.55313620386685 0.47088214271638 0.66606039698222 18.998 > 141 143 F 0.05313620386685 0.97088214271638 0.66606039698222 18.998 > 141 144 F 0.55313620386685 0.97088214271638 0.66606039698222 18.998 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9825895 0.0000000 0.0134716 0.0000000 1.9969929 0.0000000 0.0134718 0.0000000 1.9996397 -------------------------- Born effective charges -------------------------- 1 Rb 1.2261188 0.0000000 0.0529882 0.0000000 1.2207180 0.0000000 0.0536997 0.0000000 1.2653797 2 Rb 1.2261188 0.0000000 0.0529882 0.0000000 1.2207180 0.0000000 0.0536997 0.0000000 1.2653797 3 Rb 1.2540691 0.0000000 -0.0248969 0.0000000 1.2000505 0.0000000 -0.0245444 0.0000000 1.2741110 4 Rb 1.2540691 0.0000000 -0.0248969 0.0000000 1.2000505 0.0000000 -0.0245444 0.0000000 1.2741110 5 Na 1.0973417 0.0000000 -0.0440869 0.0000000 1.0522189 0.0000000 -0.0487213 0.0000000 1.0806517 6 Na 1.0973417 0.0000000 -0.0440869 0.0000000 1.0522189 0.0000000 -0.0487213 0.0000000 1.0806517 7 Al 2.7231326 -0.1229591 0.0541697 -0.1249135 2.9858575 -0.0709771 0.1178787 -0.0877991 2.7466655 8 Al 2.7231326 0.1229591 0.0541697 0.1249135 2.9858575 0.0709771 0.1178787 0.0877991 2.7466655 9 Al 2.6991150 -0.0123118 0.0732183 -0.1048342 2.9589268 -0.0711872 0.1031514 -0.0809754 2.8027146 10 Al 2.6991150 0.0123118 0.0732183 0.1048342 2.9589268 0.0711872 0.1031514 0.0809754 2.8027146 11 Al 2.7241872 0.0000000 0.2339624 0.0000000 2.7750183 0.0000000 0.1390179 0.0000000 2.9207668 12 Al 2.7241872 0.0000000 0.2339624 0.0000000 2.7750183 0.0000000 0.1390179 0.0000000 2.9207668 13 F -0.7773833 0.0000000 -0.0050383 0.0000000 -1.5282213 0.0000000 -0.0157118 0.0000000 -0.7332967 14 F -0.7773833 0.0000000 -0.0050383 0.0000000 -1.5282213 0.0000000 -0.0157118 0.0000000 -0.7332967 15 F -1.0712096 0.0000000 0.0914203 0.0000000 -0.8154617 0.0000000 0.1253439 0.0000000 -1.0599195 16 F -1.0712096 0.0000000 0.0914203 0.0000000 -0.8154617 0.0000000 0.1253439 0.0000000 -1.0599195 17 F -0.7168885 0.0000000 0.0265423 0.0000000 -1.5203751 0.0000000 0.0131198 0.0000000 -0.8433980 18 F -0.7168885 0.0000000 0.0265423 0.0000000 -1.5203751 0.0000000 0.0131198 0.0000000 -0.8433980 19 F -1.0843339 0.0000000 0.1370780 0.0000000 -0.7983074 0.0000000 0.1449489 0.0000000 -1.0106801 20 F -1.0843339 0.0000000 0.1370780 0.0000000 -0.7983074 0.0000000 0.1449489 0.0000000 -1.0106801 21 F -0.9787083 -0.0818749 0.1563544 -0.0931352 -0.8989481 0.0502961 0.1451739 0.0364544 -1.0676459 22 F -0.9787083 0.0818749 0.1563544 0.0931352 -0.8989481 -0.0502961 0.1451739 -0.0364544 -1.0676459 23 F -0.9787083 -0.0818749 0.1563544 -0.0931352 -0.8989481 0.0502961 0.1451739 0.0364544 -1.0676459 24 F -0.9787083 0.0818749 0.1563544 0.0931352 -0.8989481 -0.0502961 0.1451739 -0.0364544 -1.0676459 25 F -1.0446879 -0.1806112 -0.3032015 -0.1878251 -0.9682049 -0.2456803 -0.2957747 -0.2481183 -1.0423305 26 F -1.0446879 0.1806112 -0.3032015 0.1878251 -0.9682049 0.2456803 -0.2957747 0.2481183 -1.0423305 27 F -1.0446879 -0.1806112 -0.3032015 -0.1878251 -0.9682049 -0.2456803 -0.2957747 -0.2481183 -1.0423305 28 F -1.0446879 0.1806112 -0.3032015 0.1878251 -0.9682049 0.2456803 -0.2957747 0.2481183 -1.0423305 29 F -1.1684755 -0.0249156 0.0997931 -0.0117623 -0.9072269 0.0111692 0.0931460 0.0132716 -0.8783585 30 F -1.1684755 0.0249156 0.0997931 0.0117623 -0.9072269 -0.0111692 0.0931460 -0.0132716 -0.8783585 31 F -1.1684755 -0.0249156 0.0997931 -0.0117623 -0.9072269 0.0111692 0.0931460 0.0132716 -0.8783585 32 F -1.1684755 0.0249156 0.0997931 0.0117623 -0.9072269 -0.0111692 0.0931460 -0.0132716 -0.8783585 33 F -0.8452029 -0.1686544 -0.2506245 -0.1721809 -0.9908325 -0.2627940 -0.2466366 -0.2696628 -1.2331626 34 F -0.8452029 0.1686544 -0.2506245 0.1721809 -0.9908325 0.2627940 -0.2466366 0.2696628 -1.2331626 35 F -0.8452029 -0.1686544 -0.2506245 -0.1721809 -0.9908325 -0.2627940 -0.2466366 -0.2696628 -1.2331626 36 F -0.8452029 0.1686544 -0.2506245 0.1721809 -0.9908325 0.2627940 -0.2466366 0.2696628 -1.2331626 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (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 ... [ 7 7 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: 0.53, Number of G-points: 313, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 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 1.298 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.687 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.644 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.129 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.241 ( 0.000 0.000 0.000) 0.000 10.275 ( 0.000 0.000 0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 10.608 ( 0.000 0.000 0.000) 0.000 10.634 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.855 ( 0.000 0.000 0.000) 0.000 12.044 ( 0.000 0.000 0.000) 0.000 12.371 ( 0.000 0.000 0.000) 0.000 12.806 ( 0.000 0.000 0.000) 0.000 12.968 ( 0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 13.224 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 14.113 ( 0.000 0.000 0.000) 0.000 14.349 ( 0.000 0.000 0.000) 0.000 14.904 ( 0.000 0.000 0.000) 0.000 15.401 ( 0.000 0.000 0.000) 0.000 15.693 ( 0.000 0.000 0.000) 0.000 16.105 ( 0.000 0.000 0.000) 0.000 16.218 ( 0.000 0.000 0.000) 0.000 16.485 ( 0.000 0.000 0.000) 0.000 16.885 ( 0.000 0.000 0.000) 0.000 17.012 ( 0.000 0.000 0.000) 0.000 17.031 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 0.000) 0.000 17.609 ( 0.000 0.000 0.000) 0.000 18.016 ( 0.000 0.000 0.000) 0.000 18.077 ( 0.000 0.000 0.000) 0.000 18.423 ( 0.000 0.000 0.000) 0.000 18.938 ( 0.000 0.000 0.000) 0.000 19.563 ( 0.000 0.000 0.000) 0.000 20.048 ( 0.000 0.000 0.000) 0.000 20.444 ( 0.000 0.000 0.000) 0.000 20.494 ( 0.000 0.000 0.000) 0.000 20.908 ( 0.000 0.000 0.000) 0.000 21.189 ( 0.000 0.000 0.000) 0.000 21.445 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 24.031 0.000 14.838) 28.243 0.586 ( 28.181 0.000 -1.592) 28.226 0.881 ( 39.789 0.000 20.239) 44.641 1.272 ( -2.996 0.000 -1.506) 3.353 1.478 ( -4.334 0.000 -2.062) 4.800 1.589 ( 4.255 0.000 0.395) 4.274 1.675 ( 1.041 0.000 2.540) 2.746 1.675 ( 0.423 0.000 3.524) 3.549 1.873 ( 2.699 0.000 0.272) 2.713 2.028 ( -3.266 0.000 0.884) 3.384 2.047 ( -4.445 0.000 3.122) 5.432 2.184 ( 1.527 0.000 -7.321) 7.478 2.346 ( 2.075 0.000 1.244) 2.419 2.379 ( 2.819 0.000 -0.384) 2.845 2.439 ( -2.752 0.000 6.252) 6.831 2.566 ( 1.891 0.000 4.519) 4.899 2.602 ( 1.763 0.000 3.586) 3.995 2.769 ( -0.589 0.000 -1.258) 1.390 2.905 ( -4.594 0.000 0.233) 4.600 2.929 ( 6.729 0.000 -2.081) 7.043 3.251 ( 0.674 0.000 4.680) 4.729 3.562 ( 2.076 0.000 -0.535) 2.144 3.712 ( -5.100 0.000 -5.664) 7.621 3.791 ( -6.795 0.000 -9.474) 11.658 3.878 ( -6.734 0.000 -7.601) 10.155 4.037 ( 3.356 0.000 7.542) 8.255 4.500 ( -1.592 0.000 5.864) 6.076 4.510 ( -4.013 0.000 -8.632) 9.519 4.656 ( -0.720 0.000 1.578) 1.734 4.697 ( 3.999 0.000 2.487) 4.710 4.870 ( 9.617 0.000 2.918) 10.050 5.150 ( -2.708 0.000 -15.652) 15.885 5.257 ( -2.347 0.000 -1.529) 2.801 5.284 ( 7.276 0.000 -8.232) 10.986 5.503 ( -2.623 0.000 4.762) 5.436 5.650 ( -6.526 0.000 -7.080) 9.629 5.929 ( 0.497 0.000 -23.306) 23.311 6.140 ( -1.828 0.000 -3.835) 4.248 6.177 ( 7.403 0.000 1.130) 7.489 6.267 ( -0.414 0.000 -2.193) 2.232 6.286 ( 4.705 0.000 9.656) 10.742 6.520 ( 0.692 0.000 -2.161) 2.269 6.612 ( -3.089 0.000 1.594) 3.476 6.620 ( -1.958 0.000 -2.446) 3.133 6.725 ( 1.138 0.000 2.175) 2.455 6.744 ( -0.204 0.000 -1.015) 1.035 6.933 ( -0.992 0.000 -0.489) 1.106 7.039 ( 0.144 0.000 1.180) 1.188 7.047 ( -4.612 0.000 -0.609) 4.652 7.237 ( -0.666 0.000 -0.312) 0.736 7.307 ( 0.117 0.000 -2.450) 2.453 7.478 ( 2.890 0.000 3.328) 4.408 7.520 ( -2.360 0.000 2.252) 3.262 7.760 ( -1.031 0.000 -3.033) 3.203 7.899 ( 9.657 0.000 -0.159) 9.658 8.052 ( -11.093 0.000 -4.412) 11.938 8.847 ( 5.651 0.000 8.306) 10.046 9.021 ( 0.874 0.000 0.776) 1.169 9.168 ( 2.093 0.000 2.362) 3.155 9.247 ( -2.531 0.000 -2.136) 3.312 9.291 ( 3.446 0.000 5.790) 6.738 9.423 ( 4.844 0.000 7.641) 9.047 9.508 ( 6.854 0.000 8.932) 11.259 9.783 ( -2.647 0.000 -3.929) 4.738 10.115 ( -2.201 0.000 -3.759) 4.356 10.161 ( 1.756 0.000 3.385) 3.813 10.240 ( -0.336 0.000 -0.912) 0.972 10.273 ( -0.130 0.000 -1.258) 1.264 10.339 ( -0.799 0.000 35.933) 35.942 10.572 ( -2.637 0.000 29.142) 29.261 10.635 ( 0.916 0.000 -0.539) 1.063 10.692 ( 0.426 0.000 24.456) 24.460 10.809 ( 2.017 0.000 6.431) 6.740 11.295 ( -7.775 0.000 -2.820) 8.270 11.540 ( 3.352 0.000 5.087) 6.092 11.771 ( -22.690 0.000 -31.356) 38.705 11.925 ( -0.818 0.000 -3.084) 3.191 12.109 ( -21.852 0.000 -21.598) 30.724 12.874 ( 5.510 0.000 5.501) 7.786 12.982 ( 1.407 0.000 -1.034) 1.746 13.188 ( 4.736 0.000 8.177) 9.450 13.256 ( 2.998 0.000 3.742) 4.795 13.319 ( 4.149 0.000 3.951) 5.729 13.627 ( 0.628 0.000 5.322) 5.359 14.189 ( 6.780 0.000 12.418) 14.148 14.563 ( 14.899 0.000 -0.034) 14.899 14.834 ( -3.128 0.000 -3.104) 4.407 15.567 ( -11.222 0.000 -8.345) 13.985 15.580 ( 14.031 0.000 19.566) 24.077 16.028 ( -7.188 0.000 -10.508) 12.731 16.372 ( -11.785 0.000 -17.983) 21.501 16.606 ( 0.686 0.000 26.862) 26.871 16.980 ( -1.892 0.000 -1.241) 2.263 16.982 ( -2.923 0.000 -4.606) 5.456 17.298 ( 0.142 0.000 0.141) 0.200 17.303 ( 5.610 0.000 62.395) 62.646 17.552 ( -4.626 0.000 -6.413) 7.907 18.126 ( 7.680 0.000 12.777) 14.908 18.159 ( 6.976 0.000 9.620) 11.884 18.405 ( -0.052 0.000 1.917) 1.917 18.909 ( -2.779 0.000 -3.333) 4.339 19.549 ( -2.255 0.000 -11.301) 11.524 20.073 ( 2.396 0.000 -1.807) 3.001 20.429 ( -1.479 0.000 1.574) 2.160 20.698 ( -2.584 0.000 1.808) 3.154 20.932 ( -15.873 0.000 -3.763) 16.313 21.694 ( 15.302 0.000 13.633) 20.494 22.652 ( 0.169 0.000 -78.976) 78.976 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 8.848 0.000 11.719) 14.684 1.107 ( 23.200 0.000 -4.774) 23.686 1.173 ( -5.877 0.000 -5.008) 7.722 1.405 ( -0.793 0.000 -0.828) 1.146 1.490 ( 16.855 0.000 13.275) 21.455 1.696 ( 3.558 0.000 -0.249) 3.567 1.718 ( 4.166 0.000 7.321) 8.423 1.737 ( 6.412 0.000 2.012) 6.720 1.937 ( -1.404 0.000 4.168) 4.398 1.965 ( -0.249 0.000 2.659) 2.671 1.974 ( -0.360 0.000 1.190) 1.244 2.211 ( 4.802 0.000 -4.780) 6.776 2.376 ( 0.703 0.000 2.833) 2.918 2.446 ( 3.714 0.000 7.227) 8.125 2.451 ( 3.218 0.000 -0.645) 3.281 2.588 ( 0.161 0.000 3.635) 3.638 2.648 ( 2.032 0.000 2.346) 3.104 2.780 ( 1.532 0.000 -2.732) 3.132 2.786 ( -6.798 0.000 -0.323) 6.806 3.051 ( 4.227 0.000 0.029) 4.227 3.278 ( 2.044 0.000 12.742) 12.905 3.577 ( -7.497 0.000 -9.621) 12.197 3.584 ( -1.922 0.000 -9.898) 10.083 3.626 ( -7.951 0.000 -8.010) 11.286 3.760 ( -1.856 0.000 0.066) 1.858 4.104 ( 2.638 0.000 9.392) 9.756 4.378 ( -8.644 0.000 -15.700) 17.922 4.491 ( 0.562 0.000 6.182) 6.208 4.649 ( -0.232 0.000 -0.806) 0.839 4.801 ( 6.638 0.000 4.698) 8.132 5.056 ( 1.619 0.000 -3.823) 4.152 5.117 ( 5.493 0.000 -5.917) 8.074 5.163 ( -4.374 0.000 -5.381) 6.934 5.444 ( -2.858 0.000 6.530) 7.128 5.485 ( 10.255 0.000 -4.986) 11.403 5.548 ( -3.754 0.000 -1.337) 3.985 5.937 ( -2.759 0.000 -13.655) 13.931 6.059 ( -5.459 0.000 -2.654) 6.070 6.098 ( -3.895 0.000 -4.074) 5.637 6.321 ( 1.206 0.000 0.743) 1.416 6.413 ( 6.369 0.000 10.315) 12.123 6.559 ( -1.538 0.000 1.012) 1.842 6.580 ( -1.574 0.000 -2.583) 3.025 6.634 ( 7.708 0.000 2.051) 7.976 6.749 ( 0.978 0.000 0.884) 1.318 6.756 ( 1.335 0.000 0.321) 1.373 6.898 ( -2.132 0.000 -1.723) 2.741 7.031 ( 2.419 0.000 4.744) 5.325 7.048 ( 0.766 0.000 4.068) 4.140 7.210 ( -2.074 0.000 -3.261) 3.865 7.305 ( -0.203 0.000 -2.774) 2.781 7.441 ( -5.903 0.000 -1.976) 6.225 7.558 ( 3.545 0.000 3.199) 4.775 7.684 ( -4.584 0.000 -4.254) 6.254 7.796 ( -8.064 0.000 -4.327) 9.152 8.125 ( 7.189 0.000 2.228) 7.526 8.934 ( 2.318 0.000 2.240) 3.223 9.040 ( 0.886 0.000 0.693) 1.125 9.173 ( -0.807 0.000 -1.851) 2.019 9.211 ( -0.651 0.000 -0.233) 0.692 9.400 ( 5.146 0.000 8.262) 9.733 9.616 ( 12.475 0.000 17.960) 21.867 9.672 ( 8.433 0.000 11.051) 13.901 9.724 ( -0.733 0.000 -0.601) 0.947 10.066 ( -2.208 0.000 -5.401) 5.835 10.204 ( 2.192 0.000 4.938) 5.403 10.217 ( -1.957 0.000 -1.699) 2.592 10.267 ( -0.453 0.000 -2.475) 2.516 10.330 ( -0.791 0.000 7.993) 8.032 10.561 ( 0.612 0.000 23.488) 23.496 10.654 ( 0.438 0.000 1.713) 1.768 10.711 ( 1.711 0.000 13.636) 13.743 10.855 ( 2.028 0.000 7.262) 7.540 11.140 ( -7.001 0.000 -5.628) 8.983 11.229 ( -28.374 0.000 -39.750) 48.838 11.521 ( -12.659 0.000 -22.954) 26.214 11.677 ( -10.333 0.000 -4.407) 11.233 11.907 ( -0.737 0.000 -1.394) 1.577 13.006 ( 5.850 0.000 0.350) 5.861 13.031 ( 4.780 0.000 5.742) 7.471 13.222 ( -1.454 0.000 5.669) 5.853 13.337 ( 4.428 0.000 1.287) 4.611 13.401 ( 3.692 0.000 4.660) 5.946 13.612 ( -3.195 0.000 -3.205) 4.525 14.375 ( 10.915 0.000 14.196) 17.907 14.881 ( 8.271 0.000 14.601) 16.781 14.907 ( 17.630 0.000 12.050) 21.355 15.285 ( -15.373 0.000 -13.161) 20.237 15.786 ( -9.180 0.000 -14.196) 16.906 15.921 ( 11.125 0.000 15.967) 19.460 16.050 ( -17.932 0.000 -27.278) 32.644 16.642 ( 1.797 0.000 7.361) 7.577 16.892 ( -5.680 0.000 -8.730) 10.415 16.928 ( -2.921 0.000 0.117) 2.923 17.305 ( 0.605 0.000 0.797) 1.001 17.451 ( -4.633 0.000 -6.449) 7.941 17.491 ( 10.466 0.000 35.789) 37.288 18.138 ( -6.365 0.000 -9.737) 11.632 18.328 ( 8.822 0.000 12.007) 14.900 18.567 ( 14.638 0.000 24.697) 28.709 18.826 ( -5.146 0.000 -6.376) 8.194 19.455 ( -7.010 0.000 -19.191) 20.432 20.136 ( 3.769 0.000 -3.043) 4.844 20.388 ( -2.678 0.000 2.761) 3.846 20.625 ( -4.991 0.000 4.089) 6.452 20.663 ( -9.175 0.000 -1.686) 9.329 21.977 ( 11.715 0.000 15.208) 19.198 22.614 ( -1.686 0.000 -37.641) 37.679 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -2.082 0.000 5.118) 5.525 1.068 ( -3.527 0.000 -4.029) 5.355 1.448 ( 2.512 0.000 -0.198) 2.519 1.487 ( 14.396 0.000 -7.907) 16.425 1.651 ( -0.026 0.000 8.578) 8.579 1.702 ( 0.041 0.000 -0.589) 0.590 1.762 ( -0.336 0.000 2.710) 2.731 1.816 ( -1.554 0.000 3.606) 3.927 1.885 ( 0.008 0.000 -0.045) 0.046 1.960 ( -1.082 0.000 -0.327) 1.131 2.116 ( 13.457 0.000 5.150) 14.409 2.354 ( -5.584 0.000 2.334) 6.053 2.375 ( 6.307 0.000 0.425) 6.321 2.445 ( -3.178 0.000 -3.573) 4.782 2.564 ( 3.666 0.000 1.172) 3.849 2.590 ( 2.530 0.000 4.955) 5.563 2.666 ( -0.700 0.000 2.720) 2.809 2.682 ( -1.919 0.000 -0.771) 2.068 2.819 ( 1.981 0.000 -3.346) 3.888 3.075 ( -1.047 0.000 0.429) 1.131 3.329 ( 1.472 0.000 10.586) 10.688 3.457 ( -2.984 0.000 -3.959) 4.958 3.497 ( -4.096 0.000 -3.505) 5.391 3.503 ( -2.615 0.000 -11.645) 11.935 3.826 ( 5.731 0.000 8.210) 10.012 4.145 ( 1.042 0.000 4.441) 4.561 4.175 ( -9.214 0.000 -13.500) 16.344 4.511 ( 0.726 0.000 2.145) 2.265 4.643 ( -0.268 0.000 -0.872) 0.913 4.933 ( 4.457 0.000 6.642) 7.998 5.031 ( -0.636 0.000 -6.996) 7.024 5.099 ( -1.645 0.000 -2.198) 2.745 5.250 ( 4.429 0.000 -2.359) 5.018 5.409 ( -0.837 0.000 3.573) 3.669 5.512 ( 1.706 0.000 3.171) 3.601 5.660 ( 6.216 0.000 -2.697) 6.776 5.710 ( -12.861 0.000 -8.921) 15.652 5.946 ( -4.666 0.000 -0.147) 4.668 6.186 ( 4.611 0.000 -0.918) 4.702 6.398 ( 8.379 0.000 3.810) 9.205 6.515 ( 3.090 0.000 6.900) 7.560 6.537 ( -1.537 0.000 1.830) 2.390 6.555 ( -1.011 0.000 -3.933) 4.061 6.675 ( -4.230 0.000 -3.145) 5.271 6.765 ( 0.453 0.000 1.374) 1.446 6.790 ( 2.007 0.000 -0.020) 2.007 6.852 ( -2.227 0.000 -1.672) 2.785 7.082 ( 2.337 0.000 6.354) 6.770 7.100 ( 3.348 0.000 5.837) 6.729 7.153 ( -3.096 0.000 -6.073) 6.817 7.283 ( -7.120 0.000 -6.919) 9.928 7.300 ( -0.178 0.000 -1.105) 1.120 7.524 ( -2.204 0.000 -0.804) 2.346 7.691 ( -1.038 0.000 0.815) 1.320 7.800 ( 8.194 0.000 1.572) 8.343 8.150 ( -3.735 0.000 -1.033) 3.875 8.968 ( 1.388 0.000 0.984) 1.702 9.055 ( 0.475 0.000 0.391) 0.615 9.156 ( -0.554 0.000 -0.964) 1.112 9.208 ( -0.126 0.000 -0.221) 0.254 9.493 ( 3.746 0.000 5.768) 6.878 9.616 ( -3.514 0.000 -5.385) 6.430 9.824 ( 5.235 0.000 7.836) 9.424 10.025 ( -1.739 0.000 -5.605) 5.868 10.041 ( 20.658 0.000 29.431) 35.958 10.174 ( -1.490 0.000 -0.524) 1.579 10.239 ( -0.957 0.000 -1.622) 1.883 10.265 ( 2.977 0.000 5.615) 6.355 10.319 ( -0.377 0.000 1.488) 1.535 10.595 ( 1.469 0.000 8.307) 8.435 10.649 ( -0.687 0.000 0.436) 0.814 10.651 ( -26.218 0.000 -37.713) 45.931 10.796 ( 5.831 0.000 18.830) 19.712 10.890 ( 0.990 0.000 3.829) 3.955 11.031 ( -2.833 0.000 -2.649) 3.878 11.145 ( -15.262 0.000 -27.335) 31.307 11.640 ( -0.008 0.000 1.572) 1.572 11.897 ( -0.213 0.000 -0.384) 0.439 13.082 ( 3.732 0.000 -5.146) 6.357 13.162 ( -3.102 0.000 5.919) 6.683 13.182 ( 5.732 0.000 8.355) 10.132 13.412 ( 2.353 0.000 0.580) 2.423 13.456 ( 1.382 0.000 1.483) 2.027 13.505 ( -5.467 0.000 -7.928) 9.630 14.632 ( 14.065 0.000 15.030) 20.584 14.943 ( -15.736 0.000 -14.471) 21.378 15.144 ( 15.765 0.000 25.006) 29.561 15.285 ( 17.364 0.000 21.432) 27.583 15.489 ( -16.354 0.000 -24.917) 29.805 15.668 ( -18.409 0.000 -27.720) 33.276 16.166 ( 8.227 0.000 11.824) 14.404 16.674 ( 0.957 0.000 1.711) 1.960 16.770 ( -4.783 0.000 -7.200) 8.644 16.880 ( -1.439 0.000 -0.040) 1.439 17.326 ( 1.474 0.000 2.041) 2.517 17.372 ( -2.954 0.000 -4.120) 5.070 17.724 ( 11.217 0.000 25.799) 28.132 17.956 ( -10.247 0.000 -18.492) 21.142 18.501 ( 7.246 0.000 9.651) 12.068 18.706 ( -5.884 0.000 -7.540) 9.564 18.895 ( 15.190 0.000 25.070) 29.313 19.248 ( -11.974 0.000 -22.571) 25.551 20.210 ( 3.065 0.000 -2.673) 4.067 20.331 ( -2.597 0.000 2.551) 3.640 20.534 ( -1.735 0.000 -0.798) 1.909 20.561 ( -3.107 0.000 2.490) 3.982 22.155 ( 4.942 0.000 8.758) 10.056 22.567 ( -1.499 0.000 -14.732) 14.808 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 22.053 0.000) 22.053 0.719 ( 0.000 33.385 0.000) 33.385 1.111 ( 0.000 44.190 0.000) 44.190 1.303 ( 0.000 0.988 0.000) 0.988 1.566 ( 0.000 3.452 0.000) 3.452 1.579 ( 0.000 3.175 0.000) 3.175 1.712 ( 0.000 4.767 0.000) 4.767 1.848 ( 0.000 0.690 0.000) 0.690 2.033 ( 0.000 0.063 0.000) 0.063 2.093 ( 0.000 -1.219 0.000) 1.219 2.094 ( 0.000 0.940 0.000) 0.940 2.324 ( 0.000 -2.285 0.000) 2.285 2.340 ( 0.000 9.349 0.000) 9.349 2.394 ( 0.000 4.101 0.000) 4.101 2.467 ( 0.000 0.087 0.000) 0.087 2.529 ( 0.000 1.015 0.000) 1.015 2.591 ( 0.000 -0.784 0.000) 0.784 2.653 ( 0.000 12.795 0.000) 12.795 2.901 ( 0.000 -4.071 0.000) 4.071 2.936 ( 0.000 11.218 0.000) 11.218 3.245 ( 0.000 0.529 0.000) 0.529 3.521 ( 0.000 -3.869 0.000) 3.869 3.593 ( 0.000 -20.887 0.000) 20.887 3.769 ( 0.000 -0.734 0.000) 0.734 3.846 ( 0.000 -4.908 0.000) 4.908 4.008 ( 0.000 1.053 0.000) 1.053 4.296 ( 0.000 -10.415 0.000) 10.415 4.713 ( 0.000 -0.989 0.000) 0.989 4.757 ( 0.000 8.502 0.000) 8.502 4.772 ( 0.000 4.546 0.000) 4.546 4.879 ( 0.000 13.718 0.000) 13.718 4.953 ( 0.000 -8.567 0.000) 8.567 5.183 ( 0.000 -0.274 0.000) 0.274 5.244 ( 0.000 -7.404 0.000) 7.404 5.510 ( 0.000 -0.901 0.000) 0.901 5.514 ( 0.000 -9.767 0.000) 9.767 5.756 ( 0.000 -9.046 0.000) 9.046 5.923 ( 0.000 0.386 0.000) 0.386 6.179 ( 0.000 -3.457 0.000) 3.457 6.292 ( 0.000 4.566 0.000) 4.566 6.397 ( 0.000 -8.439 0.000) 8.439 6.476 ( 0.000 -1.324 0.000) 1.324 6.505 ( 0.000 9.893 0.000) 9.893 6.693 ( 0.000 2.925 0.000) 2.925 6.812 ( 0.000 4.062 0.000) 4.062 6.908 ( 0.000 5.893 0.000) 5.893 7.009 ( 0.000 3.451 0.000) 3.451 7.096 ( 0.000 -2.724 0.000) 2.724 7.142 ( 0.000 9.687 0.000) 9.687 7.277 ( 0.000 -0.721 0.000) 0.721 7.340 ( 0.000 3.428 0.000) 3.428 7.414 ( 0.000 -1.871 0.000) 1.871 7.492 ( 0.000 0.842 0.000) 0.842 7.669 ( 0.000 -2.139 0.000) 2.139 7.839 ( 0.000 3.247 0.000) 3.247 8.180 ( 0.000 -1.258 0.000) 1.258 8.635 ( 0.000 0.296 0.000) 0.296 9.203 ( 0.000 9.584 0.000) 9.584 9.220 ( 0.000 -3.956 0.000) 3.956 9.376 ( 0.000 18.363 0.000) 18.363 9.383 ( 0.000 -0.023 0.000) 0.023 9.417 ( 0.000 4.864 0.000) 4.864 9.722 ( 0.000 4.105 0.000) 4.105 9.806 ( 0.000 2.052 0.000) 2.052 9.995 ( 0.000 -8.119 0.000) 8.119 10.080 ( 0.000 -4.914 0.000) 4.914 10.174 ( 0.000 -1.096 0.000) 1.096 10.267 ( 0.000 1.474 0.000) 1.474 10.552 ( 0.000 2.574 0.000) 2.574 10.591 ( 0.000 -2.267 0.000) 2.267 10.718 ( 0.000 6.674 0.000) 6.674 10.844 ( 0.000 7.134 0.000) 7.134 11.329 ( 0.000 -4.126 0.000) 4.126 11.396 ( 0.000 -2.550 0.000) 2.550 11.551 ( 0.000 8.523 0.000) 8.523 11.812 ( 0.000 -4.202 0.000) 4.202 11.832 ( 0.000 -8.897 0.000) 8.897 12.585 ( 0.000 -26.072 0.000) 26.072 12.730 ( 0.000 23.072 0.000) 23.072 12.910 ( 0.000 1.308 0.000) 1.308 13.089 ( 0.000 11.733 0.000) 11.733 13.266 ( 0.000 1.440 0.000) 1.440 13.411 ( 0.000 6.702 0.000) 6.702 13.645 ( 0.000 -1.631 0.000) 1.631 14.122 ( 0.000 1.631 0.000) 1.631 14.459 ( 0.000 10.687 0.000) 10.687 15.117 ( 0.000 18.938 0.000) 18.938 15.467 ( 0.000 5.839 0.000) 5.839 15.600 ( 0.000 -8.270 0.000) 8.270 15.932 ( 0.000 -33.123 0.000) 33.123 16.265 ( 0.000 -11.739 0.000) 11.739 16.556 ( 0.000 -28.088 0.000) 28.088 16.640 ( 0.000 -8.739 0.000) 8.739 16.858 ( 0.000 -29.690 0.000) 29.690 16.858 ( 0.000 -12.285 0.000) 12.285 17.385 ( 0.000 -16.383 0.000) 16.383 18.174 ( 0.000 11.625 0.000) 11.625 18.413 ( 0.000 24.966 0.000) 24.966 18.698 ( 0.000 20.280 0.000) 20.280 19.144 ( 0.000 15.845 0.000) 15.845 19.404 ( 0.000 8.023 0.000) 8.023 19.512 ( 0.000 -4.551 0.000) 4.551 20.225 ( 0.000 1.625 0.000) 1.625 20.476 ( 0.000 -1.727 0.000) 1.727 20.499 ( 0.000 3.484 0.000) 3.484 20.912 ( 0.000 0.396 0.000) 0.396 21.167 ( 0.000 -2.085 0.000) 2.085 21.380 ( 0.000 -6.150 0.000) 6.150 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 20.892 10.092 -5.516) 23.849 0.871 ( 12.828 23.372 3.463) 26.885 1.268 ( 6.334 19.362 11.842) 23.564 1.327 ( 4.470 9.221 3.135) 10.716 1.542 ( -0.736 6.118 -2.405) 6.615 1.607 ( 2.514 2.697 -0.068) 3.687 1.688 ( -0.601 4.177 3.601) 5.548 1.863 ( 0.821 0.157 1.562) 1.772 1.965 ( -3.726 7.888 -1.340) 8.826 2.027 ( -1.933 4.913 -1.016) 5.376 2.098 ( -1.939 1.578 -0.653) 2.584 2.212 ( -2.010 2.660 -3.159) 4.592 2.348 ( 1.231 -0.416 0.830) 1.542 2.409 ( -1.160 -0.721 2.606) 2.942 2.522 ( 0.128 -3.833 -0.600) 3.882 2.599 ( 1.594 1.104 6.064) 6.366 2.611 ( 4.774 14.231 -0.810) 15.032 2.762 ( 5.780 -1.094 1.373) 6.040 2.872 ( -2.509 10.608 -0.927) 10.939 2.953 ( 5.295 -0.153 3.447) 6.320 3.253 ( -0.174 -0.525 3.352) 3.397 3.487 ( -3.823 -14.436 -5.802) 16.021 3.513 ( -4.783 -6.499 -7.179) 10.801 3.776 ( 0.116 -2.109 -0.377) 2.145 3.835 ( -1.930 1.187 -0.527) 2.326 4.029 ( 2.675 -1.755 5.286) 6.179 4.330 ( 2.809 -9.766 3.966) 10.909 4.616 ( -9.166 4.494 -7.328) 12.567 4.730 ( -2.263 4.555 -0.457) 5.107 4.813 ( 2.223 4.262 5.299) 7.155 4.846 ( 5.604 0.101 0.717) 5.651 5.072 ( 2.262 -1.974 -7.185) 7.787 5.209 ( -0.014 -4.933 -2.033) 5.336 5.317 ( 7.692 -0.370 -5.889) 9.694 5.487 ( -1.441 -0.509 3.820) 4.115 5.503 ( -1.204 -9.179 -7.248) 11.757 5.758 ( 1.338 -8.316 -5.007) 9.799 5.949 ( -0.707 -7.375 1.551) 7.569 6.176 ( 1.396 -4.514 -1.478) 4.951 6.337 ( 2.664 0.372 3.219) 4.195 6.377 ( -0.810 -2.483 -1.114) 2.839 6.464 ( -3.362 7.792 1.691) 8.653 6.487 ( 2.247 -1.816 1.108) 3.094 6.687 ( -0.282 4.223 -0.246) 4.240 6.874 ( -3.333 3.849 2.667) 5.748 6.897 ( 2.286 8.030 -3.659) 9.116 6.981 ( -1.352 3.510 -1.414) 4.019 7.040 ( -1.533 -0.603 -0.879) 1.867 7.149 ( -0.225 9.842 0.433) 9.854 7.287 ( 0.678 -0.486 -2.409) 2.549 7.298 ( -2.107 3.855 -2.526) 5.068 7.452 ( 0.351 -4.880 2.549) 5.517 7.477 ( 1.874 0.722 3.536) 4.066 7.744 ( 0.176 -1.419 -0.930) 1.706 7.890 ( 7.887 1.992 0.790) 8.173 8.043 ( -10.343 -0.168 -4.569) 11.309 8.729 ( 6.987 -3.558 4.139) 8.866 9.182 ( -3.229 -3.099 -2.464) 5.109 9.215 ( 0.777 10.394 0.771) 10.452 9.351 ( -1.151 -0.665 -2.222) 2.590 9.399 ( 2.253 13.862 4.158) 14.647 9.487 ( 6.227 -0.380 7.910) 10.074 9.705 ( -0.349 17.250 0.963) 17.280 9.790 ( -1.302 4.032 -2.038) 4.701 10.020 ( 1.064 -8.866 1.240) 9.015 10.093 ( 1.049 -4.208 2.027) 4.787 10.160 ( -0.680 -2.508 1.126) 2.832 10.274 ( 0.344 1.684 0.128) 1.724 10.448 ( -5.587 2.400 -4.461) 7.541 10.652 ( 2.630 -0.694 3.925) 4.776 10.733 ( 1.268 6.897 -0.478) 7.029 10.862 ( 1.078 7.858 3.273) 8.580 11.094 ( -17.413 25.853 38.798) 49.768 11.243 ( -8.817 -2.768 -9.879) 13.527 11.421 ( -12.976 -9.134 -14.615) 21.573 11.606 ( -7.632 -4.338 -2.552) 9.142 11.867 ( 0.753 -4.606 -2.564) 5.325 12.510 ( -19.256 25.705 -24.058) 40.129 12.808 ( 14.843 -16.969 19.363) 29.719 12.968 ( 5.264 -1.266 4.401) 6.978 13.107 ( 1.858 11.393 1.547) 11.647 13.273 ( 1.332 0.565 0.294) 1.477 13.397 ( -1.413 4.637 -0.076) 4.848 13.635 ( -0.451 -1.135 0.324) 1.264 14.142 ( 3.493 -2.943 8.407) 9.568 14.624 ( 8.564 6.544 -3.017) 11.192 15.095 ( 4.181 21.506 3.610) 22.204 15.422 ( -13.522 -9.753 2.401) 16.844 15.644 ( 11.155 4.952 15.992) 20.117 15.938 ( -18.284 -8.602 -24.720) 31.927 15.997 ( 3.770 -37.970 6.778) 38.754 16.538 ( -1.993 -27.147 -2.307) 27.318 16.679 ( -1.896 -1.298 4.297) 4.873 16.815 ( -2.484 -17.125 -3.283) 17.613 16.885 ( 0.639 -25.336 1.205) 25.373 17.365 ( -3.285 -10.877 -4.233) 12.125 18.059 ( -16.191 27.181 37.349) 48.948 18.353 ( 0.089 20.586 2.231) 20.707 18.582 ( -5.324 36.576 25.607) 44.964 18.655 ( -3.588 19.054 -4.233) 19.846 19.125 ( -2.538 16.736 -1.376) 16.983 19.497 ( -2.338 -4.593 -11.093) 12.232 20.107 ( 1.926 3.271 -1.630) 4.131 20.457 ( -2.163 2.538 1.465) 3.643 20.694 ( -1.074 -0.323 1.314) 1.728 20.912 ( -15.013 -1.780 -3.348) 15.484 21.628 ( 14.752 -6.315 11.407) 19.688 21.955 ( 38.321 -41.318 -51.593) 76.403 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 4.232 10.118 1.963) 11.141 1.140 ( 16.109 4.466 -4.220) 17.241 1.242 ( -3.518 5.080 -1.438) 6.344 1.388 ( 2.313 2.973 5.106) 6.345 1.549 ( 1.230 2.078 4.940) 5.499 1.672 ( -0.185 0.635 3.058) 3.129 1.740 ( 6.430 1.423 1.567) 6.769 1.904 ( 1.171 1.636 0.996) 2.245 1.952 ( -2.213 2.323 2.562) 4.106 2.006 ( 1.313 9.551 0.375) 9.648 2.050 ( 0.320 2.390 -0.264) 2.426 2.223 ( 2.104 -2.011 -1.258) 3.171 2.392 ( 3.826 0.733 3.329) 5.125 2.421 ( 4.405 0.231 4.737) 6.473 2.519 ( -1.162 -5.469 0.039) 5.591 2.647 ( 3.167 5.185 5.730) 8.351 2.712 ( 5.080 14.152 -0.016) 15.036 2.804 ( -0.312 3.214 -0.624) 3.288 2.855 ( 0.813 12.098 1.015) 12.168 3.061 ( 2.173 0.559 -1.746) 2.843 3.179 ( -6.587 -15.087 -10.444) 19.496 3.337 ( -7.856 -0.682 -3.478) 8.619 3.561 ( 7.922 -1.300 10.005) 12.828 3.744 ( -3.885 -4.423 0.225) 5.891 3.786 ( -1.304 7.545 -3.548) 8.438 4.119 ( 4.805 1.212 8.301) 9.667 4.319 ( -5.386 -5.996 -1.366) 8.174 4.522 ( 0.089 2.709 -6.729) 7.255 4.689 ( -0.969 1.372 -0.839) 1.877 4.789 ( -0.900 1.843 -2.103) 2.937 5.029 ( -0.153 -4.267 0.661) 4.321 5.051 ( 6.325 -4.322 -5.173) 9.244 5.197 ( -1.536 2.855 -7.045) 7.755 5.388 ( -1.118 -3.918 4.984) 6.437 5.454 ( -1.051 -6.381 0.287) 6.474 5.582 ( 7.723 4.660 -2.997) 9.505 5.758 ( -2.821 -9.489 -7.979) 12.715 5.938 ( 3.552 -7.497 -0.987) 8.355 6.210 ( 0.957 -8.122 0.171) 8.180 6.272 ( -7.825 7.250 -3.683) 11.285 6.378 ( -0.567 -4.956 -1.407) 5.183 6.479 ( 5.178 3.730 10.285) 12.104 6.551 ( 2.390 -4.935 3.960) 6.764 6.634 ( -3.160 0.960 -2.986) 4.452 6.840 ( 0.377 5.207 1.222) 5.361 6.922 ( 0.918 9.094 -2.212) 9.403 6.954 ( -1.293 4.301 0.212) 4.496 7.055 ( 1.066 -0.837 2.352) 2.715 7.149 ( 0.452 9.182 0.453) 9.205 7.249 ( -2.433 1.989 -3.748) 4.892 7.299 ( 0.127 2.544 -1.681) 3.052 7.425 ( -3.144 -1.698 -0.817) 3.665 7.551 ( 2.993 -0.208 2.855) 4.142 7.668 ( -3.118 -0.706 -3.371) 4.646 7.823 ( -7.119 3.551 -2.971) 8.492 8.101 ( 7.156 -1.371 2.026) 7.563 8.858 ( 4.826 -5.462 3.551) 8.108 9.124 ( -1.434 -4.291 -0.125) 4.526 9.231 ( 0.695 10.214 0.782) 10.267 9.337 ( -0.341 3.673 -2.088) 4.239 9.475 ( 4.151 1.603 6.161) 7.600 9.641 ( 7.560 -0.686 9.608) 12.245 9.703 ( -1.211 6.662 -0.425) 6.785 9.799 ( 4.316 17.696 8.788) 20.224 10.012 ( -1.419 -7.292 -4.401) 8.635 10.108 ( 0.787 -2.942 2.144) 3.725 10.180 ( 2.146 -3.147 3.129) 4.930 10.265 ( -1.512 2.064 -0.935) 2.724 10.363 ( -2.796 1.554 -2.661) 4.161 10.695 ( 1.303 -0.362 4.062) 4.281 10.750 ( -0.307 8.688 -2.045) 8.931 10.852 ( -4.355 9.521 3.369) 10.999 10.921 ( -14.375 -1.000 -7.306) 16.156 10.963 ( -2.639 9.985 15.393) 18.537 11.142 ( -7.659 -0.621 -5.840) 9.652 11.586 ( 0.526 -2.509 2.490) 3.574 11.858 ( -2.072 -2.880 -1.004) 3.687 12.033 ( -23.964 27.008 -33.657) 49.361 13.032 ( 6.943 1.398 3.041) 7.708 13.116 ( 6.596 -1.632 9.685) 11.831 13.187 ( 6.249 3.105 8.701) 11.154 13.320 ( 3.254 -1.029 0.527) 3.454 13.362 ( -1.555 0.674 2.020) 2.637 13.623 ( -1.483 1.039 -1.714) 2.493 14.274 ( 9.086 -7.279 10.062) 15.388 14.697 ( 2.315 -2.323 1.165) 3.480 15.122 ( -15.346 -12.317 -5.265) 20.370 15.350 ( 14.010 18.010 13.412) 26.467 15.496 ( -15.143 -10.738 -22.619) 29.262 15.948 ( 10.673 -4.957 14.829) 18.931 16.109 ( 6.171 -25.550 8.372) 27.586 16.469 ( -5.295 -13.565 -5.634) 15.614 16.549 ( -8.504 -2.978 -7.713) 11.860 16.754 ( -3.700 -15.121 -5.708) 16.581 16.895 ( 0.685 -28.674 0.837) 28.695 17.259 ( -5.607 -4.763 -7.390) 10.428 17.963 ( 3.076 22.664 28.411) 36.473 18.416 ( -1.993 17.249 -4.339) 17.898 18.614 ( 6.266 14.839 14.992) 22.005 18.671 ( 6.748 19.278 10.357) 22.901 19.050 ( -4.758 17.926 -3.964) 18.966 19.403 ( -6.883 -4.767 -18.287) 20.113 20.168 ( 3.607 3.066 -3.167) 5.696 20.401 ( -3.284 1.110 2.614) 4.342 20.641 ( -5.293 1.541 3.632) 6.602 20.667 ( -6.922 0.654 -1.228) 7.060 21.895 ( 10.924 -7.649 12.394) 18.206 22.334 ( 8.239 -23.301 -30.657) 39.379 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -2.871 9.113 4.163) 10.422 1.117 ( -4.539 3.787 -4.831) 7.634 1.427 ( 8.635 -3.120 -4.416) 10.188 1.480 ( 3.200 -0.813 -0.959) 3.438 1.597 ( 2.639 -4.319 8.464) 9.862 1.645 ( -1.968 -0.379 0.195) 2.013 1.821 ( 0.906 0.847 1.296) 1.794 1.890 ( -0.510 5.236 -0.068) 5.261 1.919 ( -1.054 3.111 0.764) 3.372 1.958 ( -2.153 0.728 -0.605) 2.352 2.213 ( 11.180 1.703 3.859) 11.949 2.235 ( -0.035 -7.063 -0.398) 7.074 2.423 ( -6.681 -4.619 -0.350) 8.130 2.514 ( 7.308 1.344 9.911) 12.388 2.563 ( 4.053 -2.282 1.678) 4.944 2.672 ( -4.793 6.908 -7.721) 11.415 2.780 ( 0.664 10.248 2.713) 10.622 2.802 ( 2.658 13.120 -2.157) 13.559 2.861 ( -0.239 9.178 -1.962) 9.389 3.048 ( 1.586 -10.409 -1.296) 10.608 3.114 ( -1.435 -3.567 0.122) 3.847 3.180 ( -6.641 2.316 -4.312) 8.250 3.645 ( -2.294 -2.402 -3.172) 4.593 3.773 ( -0.160 1.050 -1.235) 1.628 3.808 ( 12.247 9.632 20.909) 26.076 4.076 ( -9.798 4.857 -13.456) 17.339 4.306 ( 4.884 1.322 8.720) 10.082 4.456 ( -5.347 -0.088 -9.543) 10.939 4.698 ( -0.095 4.660 -1.290) 4.836 4.834 ( 4.444 -9.901 2.680) 11.178 4.982 ( -1.142 -3.853 -0.055) 4.019 5.149 ( -2.493 1.968 -5.991) 6.781 5.189 ( 4.165 -4.228 -2.202) 6.330 5.358 ( -0.074 -3.309 2.659) 4.245 5.458 ( 0.673 -3.656 4.152) 5.573 5.547 ( -7.600 -5.922 -4.502) 10.635 5.839 ( 9.595 7.000 -1.645) 11.991 6.053 ( 4.236 -8.372 -3.320) 9.953 6.070 ( -9.875 7.727 -0.786) 12.563 6.239 ( 1.160 -10.200 0.699) 10.289 6.427 ( 5.216 -4.702 4.140) 8.152 6.554 ( 0.858 -0.273 4.252) 4.346 6.583 ( -1.220 -2.934 -1.861) 3.682 6.593 ( 1.298 -2.508 1.935) 3.423 6.847 ( -1.051 3.762 -0.295) 3.917 6.893 ( -3.969 6.276 -1.405) 7.557 6.924 ( -1.024 6.076 -1.576) 6.360 7.056 ( 0.484 -2.996 2.307) 3.812 7.160 ( -0.051 4.380 -1.606) 4.665 7.229 ( 1.195 7.864 1.164) 8.039 7.289 ( -1.249 3.640 -1.751) 4.228 7.341 ( -3.399 1.129 -3.172) 4.785 7.504 ( -2.052 -1.404 -0.214) 2.496 7.735 ( -2.061 4.067 -0.735) 4.618 7.808 ( 10.015 1.727 3.258) 10.673 8.127 ( -3.886 -1.420 -1.387) 4.364 8.920 ( 1.639 -4.077 1.033) 4.513 9.130 ( 0.955 -5.819 1.159) 6.009 9.241 ( 0.314 10.193 0.390) 10.206 9.333 ( -0.089 7.029 -0.923) 7.090 9.548 ( 2.944 1.690 4.212) 5.410 9.642 ( -2.990 1.077 -4.075) 5.168 9.783 ( 4.602 -0.330 7.446) 8.759 9.911 ( 1.363 -1.141 2.153) 2.792 10.027 ( 6.197 -3.494 10.786) 12.921 10.134 ( 1.326 -4.422 2.142) 5.089 10.203 ( -2.921 1.869 -2.799) 4.456 10.239 ( 2.507 1.492 2.690) 3.968 10.320 ( -1.937 1.754 -3.725) 4.550 10.471 ( -15.290 -3.802 -22.865) 27.768 10.728 ( 0.561 3.182 1.897) 3.746 10.745 ( -0.264 9.884 0.342) 9.893 10.922 ( 1.820 4.178 6.025) 7.555 10.987 ( -1.470 7.838 1.277) 8.076 11.122 ( 9.598 15.988 27.013) 32.824 11.491 ( -19.676 22.792 -34.082) 45.478 11.610 ( -1.768 -1.246 0.337) 2.189 11.872 ( -0.368 -1.526 -1.335) 2.061 13.136 ( 4.010 4.296 -4.419) 7.352 13.196 ( -0.538 2.335 7.365) 7.745 13.274 ( 3.666 9.199 6.689) 11.950 13.356 ( 0.101 -4.947 -0.659) 4.992 13.404 ( 3.373 -4.233 2.465) 5.947 13.567 ( -2.973 5.348 -3.912) 7.263 14.508 ( 13.441 -10.927 11.437) 20.758 14.792 ( -5.366 -11.836 1.457) 13.077 14.831 ( -0.352 -13.157 5.982) 14.458 15.095 ( -16.524 -18.138 -27.616) 36.941 15.747 ( 16.870 21.975 22.759) 35.854 16.045 ( -3.998 -4.278 -8.418) 10.254 16.194 ( -1.475 -0.028 -0.861) 1.708 16.361 ( 1.653 -15.770 3.392) 16.215 16.447 ( -2.570 -19.207 -2.208) 19.504 16.667 ( -3.819 -12.842 -5.973) 14.669 16.911 ( 0.588 -28.020 0.820) 28.038 17.169 ( -2.603 -6.695 -3.660) 8.062 18.087 ( 6.781 18.943 18.903) 27.607 18.288 ( -7.306 20.241 -13.837) 25.584 18.778 ( 6.899 21.674 11.422) 25.452 18.889 ( 12.188 1.277 18.488) 22.181 18.939 ( -5.150 18.712 -5.254) 20.106 19.205 ( -11.286 -3.931 -20.956) 24.124 20.233 ( 2.512 2.088 -2.480) 4.102 20.338 ( -2.611 0.559 2.281) 3.512 20.556 ( -0.918 2.298 -1.425) 2.855 20.590 ( -2.979 2.907 3.017) 5.141 22.057 ( 4.283 -9.092 6.549) 11.996 22.404 ( 1.155 -14.704 -11.742) 18.853 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 21.149 0.000) 21.149 1.308 ( 0.000 22.802 0.000) 22.802 1.361 ( 0.000 4.963 0.000) 4.963 1.606 ( 0.000 4.938 0.000) 4.938 1.650 ( 0.000 4.428 0.000) 4.428 1.691 ( 0.000 7.154 0.000) 7.154 1.863 ( 0.000 8.809 0.000) 8.809 1.869 ( 0.000 1.405 0.000) 1.405 2.065 ( 0.000 2.536 0.000) 2.536 2.085 ( 0.000 0.688 0.000) 0.688 2.106 ( 0.000 0.640 0.000) 0.640 2.279 ( 0.000 -1.331 0.000) 1.331 2.350 ( 0.000 -3.690 0.000) 3.690 2.398 ( 0.000 -5.335 0.000) 5.335 2.475 ( 0.000 2.426 0.000) 2.426 2.586 ( 0.000 0.022 0.000) 0.022 2.597 ( 0.000 2.817 0.000) 2.817 2.772 ( 0.000 -5.274 0.000) 5.274 2.985 ( 0.000 11.334 0.000) 11.334 3.134 ( 0.000 -19.704 0.000) 19.704 3.298 ( 0.000 2.586 0.000) 2.586 3.305 ( 0.000 15.679 0.000) 15.679 3.360 ( 0.000 -5.123 0.000) 5.123 3.735 ( 0.000 -2.941 0.000) 2.941 3.977 ( 0.000 16.872 0.000) 16.872 4.088 ( 0.000 9.804 0.000) 9.804 4.150 ( 0.000 -3.451 0.000) 3.451 4.552 ( 0.000 -12.540 0.000) 12.540 4.713 ( 0.000 -8.858 0.000) 8.858 4.881 ( 0.000 -1.693 0.000) 1.693 4.944 ( 0.000 10.043 0.000) 10.043 4.992 ( 0.000 -7.547 0.000) 7.547 5.120 ( 0.000 -6.606 0.000) 6.606 5.141 ( 0.000 1.900 0.000) 1.900 5.345 ( 0.000 -5.269 0.000) 5.269 5.570 ( 0.000 8.669 0.000) 8.669 5.584 ( 0.000 -8.175 0.000) 8.175 5.991 ( 0.000 5.219 0.000) 5.219 6.144 ( 0.000 -9.022 0.000) 9.022 6.184 ( 0.000 5.311 0.000) 5.311 6.418 ( 0.000 -1.882 0.000) 1.882 6.496 ( 0.000 4.952 0.000) 4.952 6.687 ( 0.000 6.200 0.000) 6.200 6.740 ( 0.000 2.847 0.000) 2.847 6.842 ( 0.000 -1.214 0.000) 1.214 6.955 ( 0.000 -2.346 0.000) 2.346 7.042 ( 0.000 -2.586 0.000) 2.586 7.095 ( 0.000 4.702 0.000) 4.702 7.243 ( 0.000 -2.429 0.000) 2.429 7.309 ( 0.000 -0.168 0.000) 0.168 7.372 ( 0.000 3.365 0.000) 3.365 7.428 ( 0.000 4.308 0.000) 4.308 7.562 ( 0.000 6.003 0.000) 6.003 7.650 ( 0.000 0.884 0.000) 0.884 7.924 ( 0.000 4.298 0.000) 4.298 8.142 ( 0.000 -2.525 0.000) 2.525 8.659 ( 0.000 2.410 0.000) 2.410 9.164 ( 0.000 -9.248 0.000) 9.248 9.180 ( 0.000 1.152 0.000) 1.152 9.386 ( 0.000 0.813 0.000) 0.813 9.434 ( 0.000 -0.263 0.000) 0.263 9.728 ( 0.000 -5.845 0.000) 5.845 9.799 ( 0.000 2.886 0.000) 2.886 9.922 ( 0.000 0.680 0.000) 0.680 9.968 ( 0.000 -5.425 0.000) 5.425 10.039 ( 0.000 22.663 0.000) 22.663 10.137 ( 0.000 4.448 0.000) 4.448 10.302 ( 0.000 2.807 0.000) 2.807 10.547 ( 0.000 -1.035 0.000) 1.035 10.644 ( 0.000 6.014 0.000) 6.014 10.852 ( 0.000 6.268 0.000) 6.268 11.024 ( 0.000 6.708 0.000) 6.708 11.321 ( 0.000 -4.705 0.000) 4.705 11.330 ( 0.000 4.160 0.000) 4.160 11.685 ( 0.000 -8.407 0.000) 8.407 11.782 ( 0.000 19.358 0.000) 19.358 11.897 ( 0.000 16.561 0.000) 16.561 12.033 ( 0.000 -25.888 0.000) 25.888 12.974 ( 0.000 3.547 0.000) 3.547 13.122 ( 0.000 12.716 0.000) 12.716 13.323 ( 0.000 4.620 0.000) 4.620 13.383 ( 0.000 8.509 0.000) 8.509 13.512 ( 0.000 4.460 0.000) 4.460 13.522 ( 0.000 -5.907 0.000) 5.907 14.230 ( 0.000 9.953 0.000) 9.953 14.681 ( 0.000 7.295 0.000) 7.295 15.093 ( 0.000 -42.288 0.000) 42.288 15.349 ( 0.000 -13.636 0.000) 13.636 15.581 ( 0.000 22.901 0.000) 22.901 15.651 ( 0.000 9.347 0.000) 9.347 15.892 ( 0.000 -20.399 0.000) 20.399 16.108 ( 0.000 -14.202 0.000) 14.202 16.127 ( 0.000 -32.651 0.000) 32.651 16.464 ( 0.000 -14.286 0.000) 14.286 16.569 ( 0.000 -15.289 0.000) 15.289 17.018 ( 0.000 -18.884 0.000) 18.884 18.437 ( 0.000 13.996 0.000) 13.996 18.893 ( 0.000 19.919 0.000) 19.919 19.075 ( 0.000 14.928 0.000) 14.928 19.286 ( 0.000 -7.186 0.000) 7.186 19.539 ( 0.000 10.980 0.000) 10.980 19.587 ( 0.000 8.701 0.000) 8.701 20.269 ( 0.000 2.525 0.000) 2.525 20.429 ( 0.000 -2.710 0.000) 2.710 20.603 ( 0.000 6.628 0.000) 6.628 20.925 ( 0.000 0.760 0.000) 0.760 21.111 ( 0.000 -3.164 0.000) 3.164 21.214 ( 0.000 -9.474 0.000) 9.474 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 7.699 14.298 -1.168) 16.281 1.315 ( 1.045 17.706 -3.013) 17.991 1.390 ( 2.330 5.510 1.042) 6.072 1.564 ( -6.057 5.117 3.106) 8.516 1.667 ( 4.775 3.478 0.580) 5.936 1.693 ( -2.515 4.983 -1.743) 5.847 1.802 ( -5.489 4.537 4.798) 8.587 1.879 ( 0.243 1.685 0.031) 1.702 2.032 ( -2.028 0.777 -1.693) 2.753 2.069 ( -2.109 -0.139 0.637) 2.208 2.120 ( 1.132 0.172 -3.846) 4.013 2.227 ( -4.282 0.160 -4.012) 5.870 2.306 ( -3.240 -5.498 2.104) 6.720 2.372 ( 1.932 -2.555 1.037) 3.367 2.479 ( -2.793 0.326 -5.931) 6.564 2.627 ( 6.194 0.717 0.021) 6.236 2.678 ( 5.324 0.297 2.515) 5.896 2.876 ( 2.492 -5.010 -1.212) 5.726 2.948 ( 0.821 -4.970 -1.475) 5.249 3.034 ( -5.453 1.459 -8.072) 9.850 3.284 ( 2.795 14.401 8.287) 16.849 3.390 ( 2.721 -6.563 1.681) 7.301 3.447 ( 6.998 7.870 8.224) 13.362 3.780 ( 3.174 2.776 5.386) 6.840 3.993 ( 2.210 13.909 3.621) 14.541 4.048 ( -3.447 9.479 -3.689) 10.740 4.188 ( 3.695 -3.392 0.696) 5.064 4.510 ( -5.220 -10.095 -1.626) 11.481 4.777 ( 5.822 -7.693 5.238) 10.978 4.822 ( -2.624 -1.511 -0.277) 3.040 4.891 ( -2.660 3.325 -2.956) 5.184 5.022 ( -0.327 -4.883 -2.233) 5.379 5.109 ( 3.522 -0.042 -5.072) 6.175 5.276 ( 3.543 -2.000 -0.904) 4.168 5.353 ( 1.656 -6.922 -1.500) 7.274 5.548 ( 1.200 0.913 -0.944) 1.779 5.623 ( 2.489 -0.328 -1.702) 3.033 5.887 ( -7.656 0.057 2.367) 8.014 6.114 ( -1.509 -1.906 -4.295) 4.935 6.230 ( 1.958 0.490 0.857) 2.193 6.426 ( 0.440 -3.270 3.983) 5.172 6.486 ( 0.322 4.438 -1.871) 4.827 6.629 ( -4.961 6.167 0.046) 7.915 6.762 ( 0.813 3.563 0.924) 3.770 6.888 ( 0.945 -3.527 3.635) 5.152 6.982 ( 2.575 -0.322 -1.566) 3.031 7.023 ( -1.885 0.036 -1.972) 2.728 7.053 ( -1.491 2.603 -3.933) 4.946 7.239 ( -0.643 -0.762 0.083) 1.000 7.311 ( 0.234 -1.323 -2.811) 3.116 7.373 ( 0.795 4.280 1.332) 4.552 7.409 ( -1.344 2.095 1.746) 3.041 7.567 ( 2.591 8.346 0.615) 8.760 7.727 ( 1.444 0.393 2.210) 2.669 7.946 ( 4.218 2.478 -0.481) 4.916 8.054 ( -7.074 0.757 -1.743) 7.325 8.710 ( 3.905 1.512 0.139) 4.190 9.139 ( -2.279 -0.646 -2.615) 3.528 9.202 ( 1.853 -7.752 1.783) 8.167 9.316 ( -4.919 -0.700 -5.827) 7.658 9.487 ( 4.028 -1.209 5.449) 6.883 9.626 ( -5.510 5.146 -5.932) 9.594 9.795 ( -0.366 -5.696 -2.175) 6.108 9.881 ( -2.991 -2.261 -4.242) 5.661 9.986 ( 0.813 -3.204 1.494) 3.627 10.090 ( -0.448 -3.685 -0.160) 3.716 10.202 ( 6.004 17.228 8.170) 19.990 10.348 ( 4.830 11.141 7.941) 14.509 10.521 ( -2.656 3.427 -1.208) 4.501 10.644 ( 0.669 2.190 1.319) 2.643 10.865 ( 0.890 5.899 -0.232) 5.971 11.010 ( -2.729 2.315 -2.769) 4.525 11.251 ( -3.156 3.549 2.865) 5.546 11.372 ( 0.333 4.418 -0.041) 4.430 11.455 ( -15.923 13.301 -14.233) 25.160 11.625 ( -5.668 1.295 2.629) 6.380 11.848 ( -2.809 11.830 3.700) 12.710 12.399 ( 21.047 -16.163 29.426) 39.624 12.943 ( -9.492 11.199 -13.461) 19.918 13.055 ( -0.815 8.590 -4.625) 9.790 13.293 ( -1.029 0.646 -0.867) 1.493 13.395 ( 0.560 9.626 -1.631) 9.780 13.501 ( -1.025 8.799 -0.386) 8.867 13.572 ( 4.034 -3.792 3.853) 6.745 14.140 ( -3.653 4.400 -1.634) 5.948 14.769 ( 2.784 4.510 -1.413) 5.486 15.095 ( -0.360 -43.484 1.090) 43.499 15.202 ( -13.607 -12.523 4.001) 18.921 15.497 ( -5.864 7.347 -8.734) 12.831 15.673 ( -15.416 -14.100 -21.699) 30.122 15.736 ( 4.666 -0.148 6.557) 8.049 16.076 ( 4.781 -9.601 7.267) 12.956 16.211 ( 7.132 -20.703 9.282) 23.783 16.496 ( -5.052 -19.055 -6.821) 20.860 16.654 ( 8.647 -7.263 14.796) 18.613 17.083 ( 4.869 -15.375 6.965) 17.567 18.409 ( -3.213 13.937 8.815) 16.801 18.810 ( -7.815 19.915 -7.752) 22.754 18.987 ( -7.223 11.315 -9.242) 16.297 19.251 ( -12.152 24.305 24.865) 36.833 19.301 ( 0.023 -4.381 -3.380) 5.534 19.517 ( -3.685 10.853 -2.304) 11.691 20.202 ( 1.801 5.952 -1.870) 6.493 20.508 ( -3.685 1.262 0.152) 3.898 20.694 ( 3.543 0.966 0.039) 3.673 20.865 ( -12.151 -2.678 -2.530) 12.697 21.357 ( 30.035 -17.420 -26.714) 43.809 21.464 ( 14.609 -9.760 11.261) 20.869 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 4.612 2.051 -3.589) 6.194 1.331 ( -0.840 7.603 -0.268) 7.654 1.395 ( -3.409 8.631 0.975) 9.331 1.461 ( -2.782 2.403 2.065) 4.217 1.564 ( -7.260 -0.650 2.042) 7.570 1.690 ( -1.863 1.012 1.012) 2.349 1.782 ( 4.241 2.618 0.248) 4.990 1.907 ( 1.972 -0.245 -0.128) 1.991 2.014 ( -1.997 2.587 2.396) 4.052 2.025 ( -0.261 -3.264 -2.365) 4.040 2.098 ( -2.222 -3.467 -3.766) 5.580 2.143 ( -3.033 -0.857 -0.892) 3.276 2.281 ( 0.049 -5.623 0.932) 5.700 2.408 ( 0.395 -4.788 -0.831) 4.876 2.456 ( 1.500 -1.736 1.148) 2.566 2.724 ( -7.366 -16.822 -10.716) 21.262 2.767 ( 5.478 1.797 0.744) 5.813 2.814 ( 5.998 4.692 -0.236) 7.619 2.985 ( 0.011 8.800 -3.034) 9.308 3.065 ( 4.446 -0.736 0.121) 4.508 3.374 ( 4.339 18.925 9.433) 21.587 3.435 ( 1.687 -5.877 -1.922) 6.409 3.572 ( 4.149 8.253 2.916) 9.687 3.841 ( 2.079 24.938 13.382) 28.378 3.974 ( -1.209 7.580 1.623) 7.846 4.092 ( 5.915 0.200 4.917) 7.694 4.247 ( 0.356 -0.315 0.139) 0.495 4.452 ( 2.761 -6.506 -2.298) 7.432 4.751 ( -4.352 -3.481 -2.647) 6.169 4.789 ( -1.662 -0.932 0.445) 1.957 4.949 ( -3.277 -0.586 1.568) 3.680 5.019 ( 4.350 1.678 -12.058) 12.928 5.148 ( 3.285 -8.103 -4.555) 9.859 5.317 ( -0.568 -4.570 -0.591) 4.643 5.342 ( 0.191 -1.768 3.409) 3.845 5.600 ( -5.654 -4.883 -4.267) 8.604 5.668 ( 6.971 0.971 -0.803) 7.084 5.829 ( 4.743 -3.786 1.993) 6.387 6.104 ( 0.810 0.642 -1.891) 2.155 6.253 ( 1.111 -0.218 2.084) 2.371 6.413 ( -2.656 -4.186 1.988) 5.341 6.471 ( -2.661 -0.439 -3.450) 4.379 6.585 ( -1.794 3.815 0.433) 4.238 6.640 ( -6.210 4.321 1.588) 7.730 6.953 ( 0.613 4.936 0.309) 4.984 6.969 ( 0.723 -5.407 -0.395) 5.469 7.028 ( 0.306 0.641 -1.216) 1.408 7.048 ( -0.137 2.067 -0.364) 2.103 7.225 ( -0.306 0.926 1.013) 1.407 7.306 ( -0.720 -0.338 -4.183) 4.257 7.389 ( 0.063 6.488 1.071) 6.576 7.407 ( 1.238 -0.881 1.957) 2.478 7.601 ( -4.176 4.882 -1.298) 6.554 7.703 ( 3.231 4.885 -0.922) 5.929 7.923 ( -4.772 4.989 0.485) 6.921 8.084 ( 6.371 -0.397 1.328) 6.520 8.784 ( 3.356 -0.626 0.821) 3.511 9.071 ( -3.850 -0.359 -4.357) 5.826 9.246 ( 2.151 -7.913 1.937) 8.426 9.253 ( -0.609 -4.974 -0.266) 5.018 9.540 ( -1.616 1.863 -3.075) 3.942 9.589 ( 3.057 -3.788 5.942) 7.682 9.761 ( -3.206 -1.907 -5.089) 6.310 9.826 ( -1.495 -8.892 -2.641) 9.396 9.993 ( -0.100 -3.594 -0.175) 3.599 10.065 ( -1.396 -4.268 -2.220) 5.010 10.273 ( 1.549 4.656 3.052) 5.778 10.422 ( -1.542 8.414 -1.067) 8.621 10.514 ( 4.561 17.432 7.302) 19.443 10.671 ( 1.452 1.540 3.737) 4.295 10.857 ( -2.473 1.344 -3.903) 4.812 10.871 ( -8.775 6.035 -9.679) 14.391 11.229 ( 0.424 17.305 6.135) 18.365 11.277 ( 0.880 25.228 2.650) 25.382 11.377 ( -1.176 13.751 9.463) 16.734 11.527 ( -2.877 0.017 2.408) 3.751 11.807 ( -1.368 3.121 5.440) 6.419 12.557 ( -22.782 20.678 -32.759) 44.941 12.813 ( 17.450 -14.516 27.360) 35.550 13.122 ( 5.036 3.267 0.511) 6.024 13.297 ( 0.982 -0.231 -2.322) 2.531 13.386 ( -1.817 3.783 -3.003) 5.161 13.497 ( 1.132 14.311 3.993) 14.900 13.655 ( 3.486 1.986 4.092) 5.731 14.154 ( 4.519 -3.612 2.145) 6.170 14.719 ( -5.689 1.443 -2.595) 6.417 14.863 ( -18.279 -12.630 -2.940) 22.412 15.018 ( -9.715 -32.127 -15.444) 36.946 15.304 ( -3.819 -25.320 -8.135) 26.867 15.529 ( -4.718 -28.483 -2.524) 28.981 15.913 ( 11.568 3.092 12.702) 17.456 16.188 ( 6.566 -7.631 8.641) 13.267 16.358 ( -3.684 -24.119 -5.747) 25.067 16.443 ( 9.558 2.570 12.707) 16.106 16.739 ( -0.724 3.918 -0.114) 3.986 17.153 ( 0.887 -7.053 1.535) 7.272 18.345 ( -1.542 14.661 13.513) 19.998 18.713 ( -2.001 13.076 -3.026) 13.570 18.835 ( -4.962 8.516 -6.778) 11.962 19.189 ( 1.413 23.126 13.942) 27.040 19.258 ( -4.605 -5.423 -10.717) 12.864 19.429 ( -4.632 13.752 -2.224) 14.680 20.255 ( 2.349 5.178 -3.055) 6.454 20.419 ( -4.449 0.372 1.954) 4.873 20.674 ( -5.780 1.927 -1.176) 6.205 20.715 ( -0.883 3.885 2.845) 4.896 21.690 ( 9.908 -11.704 2.333) 15.511 21.848 ( 16.054 -21.226 -13.160) 29.689 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -1.163 -0.205 -2.606) 2.861 1.213 ( -7.440 1.065 0.529) 7.534 1.361 ( 0.288 0.538 0.314) 0.686 1.459 ( 1.737 -1.465 0.492) 2.325 1.513 ( -0.670 -3.092 2.548) 4.062 1.677 ( 0.063 2.023 -0.299) 2.046 1.843 ( 1.517 1.011 0.360) 1.858 1.911 ( -0.914 -1.304 -0.843) 1.802 1.992 ( -0.063 2.798 1.254) 3.067 2.012 ( -1.288 2.611 -1.654) 3.349 2.078 ( -0.195 -5.348 -0.645) 5.390 2.147 ( 2.906 -7.093 2.023) 7.927 2.286 ( 0.220 -6.615 0.168) 6.621 2.396 ( -1.416 -10.296 -1.062) 10.447 2.498 ( 2.233 -3.791 1.688) 4.713 2.571 ( -5.398 -10.567 -6.514) 13.536 2.870 ( 3.699 3.622 1.393) 5.361 2.898 ( 1.301 3.922 -1.497) 4.395 3.006 ( 1.294 7.016 -0.769) 7.175 3.113 ( 0.870 2.391 0.335) 2.566 3.418 ( 0.397 19.602 1.735) 19.683 3.453 ( -0.055 -10.532 -0.368) 10.539 3.645 ( 4.048 26.159 2.008) 26.546 3.792 ( -4.617 14.366 -2.595) 15.311 4.061 ( 4.746 10.078 8.970) 14.303 4.141 ( -0.681 -0.267 4.525) 4.584 4.332 ( 9.491 5.300 10.793) 15.319 4.516 ( -2.462 -2.197 -12.535) 12.962 4.643 ( -3.918 -1.964 -4.864) 6.547 4.796 ( 1.816 -5.001 2.661) 5.948 4.817 ( -4.223 -1.059 -1.638) 4.651 5.118 ( 1.022 -3.160 -3.819) 5.061 5.169 ( 1.636 -0.965 -6.572) 6.841 5.303 ( -0.395 -4.533 1.908) 4.934 5.384 ( 1.589 -2.351 3.451) 4.468 5.446 ( -5.804 -4.037 0.891) 7.126 5.837 ( 8.176 -3.569 -0.913) 8.968 5.926 ( 1.428 -6.623 -0.047) 6.775 6.150 ( 3.894 4.876 -4.783) 7.863 6.256 ( -4.952 6.409 2.848) 8.585 6.353 ( 1.902 -3.350 3.239) 5.033 6.428 ( -1.668 -6.979 -0.438) 7.188 6.471 ( -2.941 -7.507 0.027) 8.063 6.623 ( -2.348 3.988 -0.371) 4.643 6.899 ( -2.753 0.064 -1.928) 3.361 6.988 ( 0.697 3.184 0.925) 3.388 7.035 ( -0.268 3.555 -1.159) 3.749 7.059 ( 1.398 3.785 1.630) 4.351 7.231 ( 0.716 -0.988 3.547) 3.751 7.271 ( -2.408 1.476 -5.863) 6.508 7.398 ( 1.291 6.762 1.355) 7.016 7.430 ( -0.060 3.054 -0.453) 3.088 7.495 ( -3.075 1.754 -0.356) 3.558 7.777 ( 0.336 -0.803 -1.252) 1.525 7.925 ( 5.441 8.491 3.407) 10.645 8.125 ( -2.190 1.587 -1.349) 3.023 8.841 ( 1.840 -2.432 1.430) 3.369 9.019 ( -0.907 -4.062 -2.086) 4.655 9.267 ( 1.253 -7.516 1.395) 7.746 9.278 ( 0.612 -6.675 1.068) 6.788 9.518 ( 0.145 -1.129 -0.730) 1.352 9.570 ( -4.251 -5.794 -3.134) 7.840 9.753 ( 2.548 -5.014 3.853) 6.818 9.804 ( -1.207 -8.496 -3.446) 9.247 9.989 ( -0.144 -3.134 -0.354) 3.157 10.038 ( -1.023 -3.436 -1.394) 3.846 10.290 ( 0.251 4.251 1.898) 4.663 10.386 ( -0.967 2.999 -2.231) 3.861 10.598 ( 3.170 17.754 4.795) 18.661 10.664 ( -3.023 12.957 -1.977) 13.450 10.760 ( -0.540 4.095 0.384) 4.148 10.793 ( -2.892 4.167 -4.998) 7.121 11.242 ( 0.441 27.453 2.115) 27.538 11.303 ( -0.756 27.163 -1.399) 27.209 11.473 ( 5.732 2.895 12.232) 13.815 11.522 ( 5.197 5.481 9.437) 12.087 11.806 ( 1.991 6.676 13.442) 15.140 12.076 ( -20.977 21.727 -36.112) 47.076 13.119 ( 10.634 -10.134 17.882) 23.142 13.224 ( 4.414 3.217 -0.210) 5.466 13.302 ( -1.105 -4.455 -6.174) 7.693 13.323 ( -3.754 2.155 -1.091) 4.463 13.535 ( 1.583 13.619 2.664) 13.967 13.699 ( 0.829 6.560 1.909) 6.882 14.295 ( 8.677 -8.611 2.203) 12.421 14.526 ( -13.335 -12.786 -4.708) 19.065 14.637 ( -1.425 -8.234 5.147) 9.814 14.786 ( -9.292 -13.482 -16.711) 23.396 15.319 ( 2.357 -37.297 1.891) 37.419 15.438 ( -3.527 -39.101 -2.276) 39.326 16.112 ( 7.199 -20.179 10.110) 23.690 16.238 ( -5.528 -25.858 -8.720) 27.843 16.388 ( 11.332 12.148 13.504) 21.409 16.617 ( -3.380 12.320 -4.518) 13.550 16.657 ( 0.990 11.643 1.989) 11.853 17.128 ( -1.967 -0.432 -2.804) 3.452 18.383 ( 3.584 10.442 11.873) 16.212 18.600 ( -6.256 9.318 -11.070) 15.764 18.896 ( 7.871 2.347 12.134) 14.652 19.106 ( -8.799 -4.327 -15.076) 17.984 19.255 ( 3.763 19.899 7.721) 21.673 19.339 ( -4.247 17.206 -3.567) 18.078 20.282 ( 0.729 2.401 -1.562) 2.956 20.347 ( -2.477 0.129 1.557) 2.928 20.635 ( 1.127 5.412 -3.121) 6.348 20.679 ( -2.513 5.538 3.948) 7.251 21.828 ( 3.546 -11.974 1.809) 12.618 22.043 ( 4.499 -18.776 -5.325) 20.029 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 15.901 0.000) 15.901 1.452 ( 0.000 0.899 0.000) 0.899 1.595 ( 0.000 5.928 0.000) 5.928 1.634 ( 0.000 -0.754 0.000) 0.754 1.719 ( 0.000 1.379 0.000) 1.379 1.742 ( 0.000 -0.637 0.000) 0.637 1.923 ( 0.000 3.885 0.000) 3.885 1.954 ( 0.000 1.246 0.000) 1.246 2.081 ( 0.000 -1.373 0.000) 1.373 2.082 ( 0.000 -1.676 0.000) 1.676 2.152 ( 0.000 4.284 0.000) 4.284 2.253 ( 0.000 -5.240 0.000) 5.240 2.301 ( 0.000 2.764 0.000) 2.764 2.337 ( 0.000 -0.851 0.000) 0.851 2.508 ( 0.000 2.338 0.000) 2.338 2.557 ( 0.000 -1.743 0.000) 1.743 2.685 ( 0.000 -2.492 0.000) 2.492 2.687 ( 0.000 2.847 0.000) 2.847 2.818 ( 0.000 -7.217 0.000) 7.217 2.911 ( 0.000 -9.881 0.000) 9.881 3.401 ( 0.000 6.116 0.000) 6.116 3.440 ( 0.000 6.592 0.000) 6.592 3.504 ( 0.000 3.788 0.000) 3.788 3.637 ( 0.000 -6.762 0.000) 6.762 4.157 ( 0.000 4.434 0.000) 4.434 4.229 ( 0.000 11.198 0.000) 11.198 4.303 ( 0.000 -10.195 0.000) 10.195 4.482 ( 0.000 -12.926 0.000) 12.926 4.542 ( 0.000 23.897 0.000) 23.897 4.821 ( 0.000 -4.303 0.000) 4.303 4.854 ( 0.000 -2.645 0.000) 2.645 4.948 ( 0.000 -10.030 0.000) 10.030 5.156 ( 0.000 3.994 0.000) 3.994 5.182 ( 0.000 9.555 0.000) 9.555 5.233 ( 0.000 -5.722 0.000) 5.722 5.412 ( 0.000 -9.705 0.000) 9.705 5.802 ( 0.000 10.941 0.000) 10.941 5.980 ( 0.000 -7.529 0.000) 7.529 6.113 ( 0.000 7.896 0.000) 7.896 6.299 ( 0.000 -8.708 0.000) 8.708 6.408 ( 0.000 14.930 0.000) 14.930 6.610 ( 0.000 3.195 0.000) 3.195 6.716 ( 0.000 -0.176 0.000) 0.176 6.772 ( 0.000 -10.665 0.000) 10.665 6.806 ( 0.000 -2.787 0.000) 2.787 6.814 ( 0.000 -0.210 0.000) 0.210 7.024 ( 0.000 3.392 0.000) 3.392 7.144 ( 0.000 -6.158 0.000) 6.158 7.197 ( 0.000 4.941 0.000) 4.941 7.282 ( 0.000 -3.057 0.000) 3.057 7.450 ( 0.000 3.508 0.000) 3.508 7.483 ( 0.000 0.638 0.000) 0.638 7.680 ( 0.000 3.628 0.000) 3.628 7.691 ( 0.000 1.887 0.000) 1.887 8.004 ( 0.000 3.707 0.000) 3.707 8.079 ( 0.000 -3.563 0.000) 3.563 8.751 ( 0.000 7.049 0.000) 7.049 8.943 ( 0.000 -11.119 0.000) 11.119 9.281 ( 0.000 7.796 0.000) 7.796 9.403 ( 0.000 -2.829 0.000) 2.829 9.421 ( 0.000 2.701 0.000) 2.701 9.540 ( 0.000 -9.458 0.000) 9.458 9.838 ( 0.000 0.959 0.000) 0.959 9.873 ( 0.000 -3.195 0.000) 3.195 9.903 ( 0.000 0.624 0.000) 0.624 9.992 ( 0.000 -6.546 0.000) 6.546 10.393 ( 0.000 5.679 0.000) 5.679 10.503 ( 0.000 -4.104 0.000) 4.104 10.675 ( 0.000 20.005 0.000) 20.005 10.763 ( 0.000 4.396 0.000) 4.396 11.003 ( 0.000 11.596 0.000) 11.596 11.117 ( 0.000 4.458 0.000) 4.458 11.210 ( 0.000 -6.061 0.000) 6.061 11.414 ( 0.000 -20.084 0.000) 20.084 11.422 ( 0.000 6.313 0.000) 6.313 11.612 ( 0.000 -13.287 0.000) 13.287 12.396 ( 0.000 31.400 0.000) 31.400 12.469 ( 0.000 40.277 0.000) 40.277 12.985 ( 0.000 -8.458 0.000) 8.458 13.069 ( 0.000 -26.409 0.000) 26.409 13.257 ( 0.000 3.659 0.000) 3.659 13.405 ( 0.000 -9.121 0.000) 9.121 13.440 ( 0.000 6.526 0.000) 6.526 13.641 ( 0.000 -8.972 0.000) 8.972 14.424 ( 0.000 -5.886 0.000) 5.886 14.450 ( 0.000 5.884 0.000) 5.884 14.839 ( 0.000 5.890 0.000) 5.890 15.057 ( 0.000 -14.298 0.000) 14.298 15.561 ( 0.000 -12.833 0.000) 12.833 15.589 ( 0.000 -8.040 0.000) 8.040 15.866 ( 0.000 -2.427 0.000) 2.427 15.876 ( 0.000 5.494 0.000) 5.494 16.122 ( 0.000 18.125 0.000) 18.125 16.182 ( 0.000 -9.698 0.000) 9.698 16.296 ( 0.000 -6.958 0.000) 6.958 16.617 ( 0.000 -20.753 0.000) 20.753 18.736 ( 0.000 15.025 0.000) 15.025 19.027 ( 0.000 -12.174 0.000) 12.174 19.221 ( 0.000 7.396 0.000) 7.396 19.268 ( 0.000 3.618 0.000) 3.618 19.716 ( 0.000 4.639 0.000) 4.639 19.721 ( 0.000 3.788 0.000) 3.788 20.321 ( 0.000 2.520 0.000) 2.520 20.373 ( 0.000 -2.647 0.000) 2.647 20.762 ( 0.000 8.740 0.000) 8.740 20.918 ( 0.000 -3.777 0.000) 3.777 21.043 ( 0.000 -4.601 0.000) 4.601 21.049 ( 0.000 -2.638 0.000) 2.638 ======================= Grid point 22 (14/72) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.742 13.744 0.981) 13.799 1.461 ( 0.082 -1.159 0.424) 1.236 1.553 ( -2.671 5.399 0.105) 6.024 1.602 ( -5.425 -0.967 0.251) 5.516 1.710 ( -0.087 1.670 -1.235) 2.079 1.743 ( -1.771 -0.225 -2.332) 2.937 1.874 ( -5.708 3.991 2.556) 7.419 1.927 ( -0.992 1.433 0.186) 1.753 1.996 ( -4.631 -0.853 -3.846) 6.080 2.048 ( -2.645 -3.051 -1.724) 4.391 2.120 ( -3.984 0.967 -0.273) 4.109 2.184 ( -3.893 -5.149 1.079) 6.545 2.270 ( -2.164 3.389 -5.492) 6.807 2.331 ( 0.222 -2.096 -2.018) 2.918 2.486 ( -5.537 0.894 -9.242) 10.811 2.579 ( -4.860 -8.424 -10.254) 14.132 2.669 ( 6.824 1.827 0.284) 7.070 2.723 ( 5.955 -2.450 0.490) 6.458 2.911 ( 9.219 3.208 5.478) 11.194 3.026 ( 6.444 -6.305 3.911) 9.828 3.371 ( -3.158 5.995 -0.826) 6.826 3.447 ( 0.643 2.284 4.079) 4.719 3.625 ( 9.784 4.370 12.116) 16.174 3.704 ( 7.499 -5.484 8.190) 12.384 4.198 ( 3.326 4.463 -0.018) 5.566 4.245 ( 1.997 12.565 1.992) 12.878 4.320 ( 0.687 -7.472 1.087) 7.582 4.486 ( -2.648 4.778 -0.309) 5.472 4.555 ( 3.637 2.840 0.550) 4.647 4.746 ( -1.721 -5.171 -5.103) 7.466 4.871 ( 0.266 1.019 -1.107) 1.528 4.999 ( 2.434 -4.235 -1.735) 5.184 5.175 ( -1.643 3.253 -2.826) 4.612 5.203 ( 0.935 -4.131 6.155) 7.472 5.262 ( 4.357 2.142 -2.022) 5.259 5.418 ( 1.940 -8.656 -4.787) 10.080 5.756 ( -3.547 6.371 -1.061) 7.369 5.856 ( -8.677 -3.702 1.164) 9.505 6.155 ( 2.273 6.689 -1.608) 7.245 6.312 ( 0.281 -7.121 1.479) 7.279 6.388 ( -2.026 12.020 -0.323) 12.194 6.547 ( -4.811 -0.100 -3.916) 6.204 6.709 ( -1.759 0.227 0.041) 1.774 6.761 ( -1.481 -7.150 1.437) 7.441 6.813 ( 4.807 1.959 2.116) 5.606 6.907 ( 3.461 -4.924 0.161) 6.020 7.016 ( -0.420 2.674 -0.459) 2.745 7.097 ( -2.869 -1.938 -2.297) 4.154 7.212 ( 0.517 1.608 -0.575) 1.785 7.281 ( -0.358 -3.102 -1.757) 3.583 7.435 ( -0.574 3.215 0.665) 3.333 7.464 ( -0.719 0.920 1.650) 2.021 7.720 ( 3.433 4.961 0.735) 6.077 7.754 ( 2.873 1.044 2.729) 4.097 7.994 ( 0.416 2.542 -0.726) 2.676 8.044 ( -2.779 -1.878 0.207) 3.361 8.792 ( 3.387 6.693 1.257) 7.606 8.976 ( 2.915 -10.673 1.975) 11.239 9.225 ( -4.653 5.566 -6.875) 9.995 9.305 ( -7.008 -1.382 -10.056) 12.335 9.465 ( 2.418 0.779 4.546) 5.207 9.564 ( 1.327 -7.761 3.591) 8.654 9.762 ( -6.342 2.428 -9.459) 11.644 9.823 ( -4.460 -3.113 -6.977) 8.847 9.920 ( 0.948 -1.137 1.893) 2.403 9.976 ( -0.822 -5.810 -1.085) 5.967 10.368 ( -0.938 6.254 -1.286) 6.453 10.492 ( -0.701 -5.122 -0.312) 5.179 10.674 ( -2.354 9.700 1.084) 10.040 10.761 ( 0.016 3.216 1.020) 3.374 10.974 ( -2.425 6.674 -0.443) 7.114 11.063 ( -1.527 2.013 -2.583) 3.614 11.326 ( 8.727 3.833 13.848) 16.812 11.414 ( 0.938 8.726 4.941) 10.072 11.491 ( 2.148 -9.357 3.523) 10.226 11.650 ( 5.415 -8.756 10.334) 14.587 12.357 ( -3.888 31.895 -1.328) 32.158 12.534 ( 6.288 31.959 9.601) 33.958 12.952 ( -5.406 -15.744 -7.740) 18.358 13.047 ( 0.561 -12.799 -1.855) 12.945 13.289 ( 2.427 2.998 1.283) 4.065 13.424 ( 1.049 -6.312 -0.459) 6.415 13.482 ( 4.094 2.335 3.527) 5.887 13.657 ( 1.532 -8.377 1.037) 8.579 14.319 ( -9.835 9.299 -11.244) 17.596 14.406 ( -2.097 -10.171 -3.142) 10.850 14.811 ( -4.461 1.319 2.977) 5.523 14.967 ( -8.774 -11.517 4.308) 15.106 15.332 ( -19.028 -10.612 -24.861) 33.057 15.361 ( -12.403 -12.915 -15.508) 23.688 15.722 ( -6.919 4.415 -9.852) 12.823 16.015 ( -3.000 -16.848 -4.548) 17.707 16.146 ( 10.382 13.803 12.453) 21.292 16.395 ( 13.411 15.330 19.331) 28.081 16.440 ( 13.785 -12.890 18.432) 26.380 16.751 ( 10.227 -17.354 14.412) 24.768 18.695 ( -3.842 14.110 -1.154) 14.669 18.956 ( -6.418 -9.499 -6.997) 13.431 19.145 ( -6.515 9.096 -10.299) 15.207 19.241 ( -2.793 -0.710 -7.349) 7.894 19.599 ( -6.499 9.877 14.456) 18.675 19.672 ( -3.717 2.458 6.917) 8.228 20.340 ( 2.806 7.113 -2.957) 8.198 20.469 ( 0.804 -4.892 -2.921) 5.754 20.745 ( 1.135 3.321 -1.194) 3.707 20.808 ( -6.599 -2.897 -2.126) 7.514 21.183 ( 15.889 -0.726 -6.354) 17.127 21.273 ( 12.785 -8.128 4.798) 15.891 ======================= Grid point 23 (15/72) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -5.044 7.439 0.715) 9.016 1.390 ( -10.408 -6.686 1.644) 12.479 1.439 ( -6.416 3.217 -3.033) 7.792 1.495 ( -5.080 -2.402 0.404) 5.634 1.613 ( -5.391 6.779 0.234) 8.664 1.697 ( -1.802 -1.081 -1.262) 2.451 1.835 ( 0.820 2.231 -1.307) 2.712 1.886 ( -1.046 -2.374 -2.661) 3.717 1.963 ( -0.347 -0.153 -2.973) 2.997 2.022 ( 0.181 -3.157 -1.485) 3.493 2.061 ( -0.844 2.152 0.470) 2.359 2.117 ( -3.385 -2.653 -1.026) 4.421 2.227 ( -1.841 0.366 -4.929) 5.274 2.288 ( -3.781 -5.500 -5.886) 8.899 2.424 ( -0.348 -0.890 -1.213) 1.545 2.463 ( -3.470 -6.278 -4.484) 8.459 2.828 ( 7.059 3.435 0.801) 7.891 2.881 ( 7.141 -0.347 0.741) 7.188 3.070 ( 5.316 3.401 3.406) 7.171 3.128 ( 3.751 1.008 -0.006) 3.884 3.320 ( -1.539 1.499 -1.327) 2.525 3.443 ( -0.374 -5.360 0.252) 5.379 3.842 ( 10.471 8.728 13.671) 19.306 3.933 ( 12.986 -2.342 17.498) 21.916 4.234 ( -0.900 6.558 1.396) 6.765 4.277 ( 1.624 4.274 -0.798) 4.641 4.378 ( 2.527 2.534 -1.666) 3.948 4.423 ( -0.045 8.317 1.472) 8.447 4.599 ( 0.114 3.387 0.745) 3.470 4.772 ( 2.745 -3.905 -0.311) 4.783 4.938 ( 4.932 -0.750 1.668) 5.260 4.996 ( -1.088 -3.340 -10.999) 11.547 5.089 ( -4.914 1.286 -9.942) 11.164 5.171 ( -3.515 -7.810 2.793) 9.008 5.361 ( 3.690 3.551 0.608) 5.157 5.477 ( 0.576 -6.747 -2.585) 7.249 5.698 ( -0.179 2.126 1.707) 2.732 5.756 ( 0.800 -3.328 1.912) 3.920 6.188 ( 1.151 5.331 -0.561) 5.483 6.297 ( -1.535 -5.085 2.100) 5.712 6.342 ( -2.273 6.117 -1.016) 6.604 6.432 ( -5.827 -2.406 -5.992) 8.697 6.640 ( -7.063 3.064 -4.160) 8.750 6.738 ( -0.545 -0.170 1.958) 2.040 6.871 ( 0.338 -1.595 0.487) 1.702 6.946 ( 2.052 -4.844 -1.390) 5.441 7.029 ( 1.846 3.093 2.115) 4.177 7.087 ( 1.419 -0.690 1.993) 2.542 7.211 ( -0.151 1.155 -0.312) 1.206 7.282 ( 1.446 -3.760 -1.860) 4.437 7.436 ( 0.387 3.617 2.320) 4.314 7.470 ( 0.722 1.090 2.531) 2.849 7.703 ( -5.783 4.827 -0.973) 7.595 7.771 ( -1.469 -0.580 0.180) 1.590 8.015 ( 1.804 4.203 0.526) 4.604 8.073 ( 5.693 -1.238 0.667) 5.864 8.850 ( 1.590 6.844 -0.428) 7.040 9.032 ( 1.008 -9.610 -0.494) 9.675 9.118 ( -4.687 2.044 -6.554) 8.313 9.171 ( -4.189 -3.052 -5.330) 7.434 9.507 ( 1.148 -0.172 3.127) 3.336 9.575 ( -0.632 -2.917 0.158) 2.989 9.643 ( -3.977 -2.417 -6.256) 7.797 9.701 ( -5.772 -4.978 -8.742) 11.598 9.938 ( 0.902 -0.464 1.281) 1.634 9.975 ( 0.379 -3.665 0.264) 3.694 10.372 ( 0.914 5.676 2.768) 6.381 10.480 ( -0.826 -3.202 0.542) 3.351 10.609 ( -2.778 3.739 -1.685) 4.954 10.719 ( -3.689 -5.149 -4.226) 7.614 10.966 ( 1.268 10.679 2.410) 11.021 11.060 ( 0.562 4.232 0.868) 4.357 11.374 ( -0.347 -0.110 2.520) 2.546 11.461 ( -1.517 -4.790 1.077) 5.138 11.648 ( 15.426 15.986 24.555) 33.113 11.805 ( 8.055 9.575 13.041) 18.073 12.252 ( -6.122 32.992 -2.684) 33.663 12.716 ( 10.124 14.939 16.773) 24.637 12.754 ( -12.761 -8.171 -17.993) 23.524 13.094 ( 3.315 -9.590 0.819) 10.179 13.328 ( 0.601 3.679 -2.045) 4.252 13.409 ( -2.657 -1.503 -4.353) 5.316 13.592 ( 5.867 -2.176 4.499) 7.707 13.701 ( 2.568 -7.045 2.726) 7.979 14.160 ( -3.882 4.272 -10.653) 12.116 14.323 ( -5.579 -18.130 -12.534) 22.736 14.642 ( -12.402 -2.729 7.203) 14.599 14.721 ( -13.353 -7.705 4.906) 16.178 15.027 ( -9.122 -4.938 -15.565) 18.705 15.143 ( -8.608 -8.897 -13.758) 18.507 15.619 ( -2.434 -6.387 -3.810) 7.825 15.862 ( -8.230 -22.340 -12.023) 26.672 16.439 ( 14.537 16.227 16.740) 27.475 16.677 ( 12.108 11.006 16.128) 22.975 16.695 ( 10.234 -4.491 13.757) 17.725 16.957 ( 8.540 -11.977 12.289) 19.167 18.601 ( -4.614 11.387 -1.117) 12.337 18.797 ( -8.199 -6.162 -10.376) 14.590 19.014 ( -4.791 9.599 -7.446) 13.059 19.153 ( -5.268 -4.546 -10.355) 12.475 19.538 ( -0.726 10.493 10.973) 15.200 19.613 ( -2.319 3.046 5.807) 6.956 20.356 ( -1.367 4.058 -1.400) 4.505 20.410 ( -4.282 -1.395 0.672) 4.554 20.736 ( -0.434 3.872 -2.845) 4.824 20.780 ( 1.079 0.959 0.673) 1.593 21.485 ( 11.766 -5.488 -5.934) 14.274 21.534 ( 12.492 -9.539 2.140) 15.862 ======================= Grid point 24 (16/72) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -3.770 0.214 -1.432) 4.038 1.157 ( -8.654 -3.520 1.413) 9.449 1.345 ( -2.849 -0.992 -0.509) 3.060 1.397 ( -2.938 -5.182 -1.019) 6.044 1.570 ( -0.443 6.829 0.060) 6.843 1.676 ( -0.332 -2.801 -0.318) 2.838 1.852 ( 0.682 0.202 -0.463) 0.849 1.876 ( -0.462 -1.900 -1.009) 2.200 1.970 ( 0.807 0.318 -1.310) 1.571 2.029 ( 0.751 -1.099 -1.995) 2.399 2.056 ( -1.996 0.188 -0.174) 2.012 2.076 ( 0.853 -4.375 1.077) 4.586 2.168 ( -2.459 2.090 -3.508) 4.766 2.257 ( 0.013 -4.973 -0.389) 4.988 2.422 ( -0.195 -2.463 -0.284) 2.487 2.430 ( -0.349 -3.368 -0.230) 3.394 2.932 ( 2.897 3.026 0.339) 4.203 2.972 ( 1.851 0.392 -0.285) 1.914 3.123 ( 0.896 4.485 1.012) 4.684 3.187 ( 1.614 1.465 0.120) 2.183 3.300 ( -0.447 0.523 -0.705) 0.985 3.448 ( 0.547 -7.627 -0.523) 7.664 4.015 ( 5.103 11.291 6.694) 14.083 4.163 ( 7.590 1.694 11.101) 13.554 4.218 ( 0.427 8.486 2.810) 8.949 4.284 ( -2.409 -4.006 -3.102) 5.610 4.346 ( -0.458 15.234 -2.757) 15.488 4.511 ( 3.046 -3.316 3.053) 5.440 4.617 ( 3.380 7.087 3.236) 8.492 4.753 ( -6.485 -0.260 -8.670) 10.830 4.905 ( -0.410 6.442 1.355) 6.596 5.028 ( -0.613 -3.120 -5.252) 6.140 5.090 ( 1.552 -7.081 -6.264) 9.581 5.122 ( 1.427 -10.960 1.525) 11.157 5.384 ( -0.539 1.597 1.333) 2.149 5.411 ( -3.739 -0.518 1.524) 4.071 5.799 ( 6.456 -0.237 -0.131) 6.462 5.828 ( 3.601 -3.035 1.722) 5.015 6.203 ( 0.364 1.458 0.307) 1.534 6.265 ( -1.564 -5.099 0.832) 5.398 6.291 ( -1.908 -0.924 -0.277) 2.138 6.328 ( -4.424 -3.776 -4.208) 7.179 6.505 ( -3.699 10.844 -1.124) 11.512 6.683 ( -3.322 -2.819 -1.463) 4.596 6.886 ( 0.999 2.652 0.253) 2.846 7.002 ( 2.729 -4.710 -1.678) 5.696 7.067 ( 1.438 1.658 1.449) 2.629 7.096 ( -1.197 -0.973 4.015) 4.301 7.228 ( 1.853 5.159 -0.250) 5.487 7.337 ( 2.476 -2.484 -0.809) 3.599 7.441 ( 0.016 3.785 1.089) 3.939 7.488 ( 1.363 1.353 1.961) 2.745 7.575 ( -5.208 4.581 -1.683) 7.138 7.695 ( -3.969 -6.480 -0.510) 7.616 8.089 ( 3.585 6.443 0.624) 7.399 8.156 ( 1.777 -0.058 -0.041) 1.778 8.861 ( 0.182 4.554 -0.151) 4.560 8.969 ( -3.444 -2.855 -5.553) 7.131 9.097 ( 0.303 -5.016 0.402) 5.041 9.136 ( -0.346 -6.227 -0.022) 6.236 9.507 ( -0.517 1.413 -0.048) 1.505 9.542 ( -1.536 2.582 -2.190) 3.718 9.604 ( -0.591 -7.369 -0.646) 7.421 9.644 ( -0.288 -6.891 -1.400) 7.038 9.954 ( 0.477 -0.153 0.682) 0.846 9.978 ( -0.123 -2.304 -0.218) 2.317 10.392 ( 0.754 5.479 3.088) 6.334 10.453 ( -1.260 2.007 -1.911) 3.044 10.583 ( -0.104 -2.311 1.637) 2.833 10.650 ( -2.231 -6.373 -3.833) 7.764 10.991 ( 0.715 11.971 0.881) 12.024 11.072 ( 0.416 7.153 0.392) 7.176 11.370 ( -0.154 -3.016 1.425) 3.340 11.438 ( -0.474 -5.785 -0.551) 5.830 11.955 ( 7.571 25.890 8.787) 28.370 12.010 ( 16.921 19.069 27.227) 37.299 12.125 ( -5.306 27.485 -1.411) 28.028 12.410 ( -18.729 6.683 -28.537) 34.782 12.959 ( 11.062 -0.263 18.596) 21.639 13.150 ( 0.495 -9.571 -2.510) 9.907 13.283 ( -3.773 0.430 -6.505) 7.533 13.338 ( -3.173 -2.458 -3.792) 5.522 13.689 ( 3.101 -0.589 2.116) 3.800 13.742 ( 0.769 -5.154 1.076) 5.321 14.159 ( 2.448 -3.800 -6.272) 7.731 14.249 ( 0.610 -15.066 -10.001) 18.093 14.398 ( -9.150 -4.743 5.995) 11.923 14.495 ( -8.925 -13.069 4.751) 16.523 14.941 ( 0.045 -0.652 -0.857) 1.078 15.001 ( -5.047 -1.897 -9.019) 10.507 15.621 ( 2.206 -16.594 3.151) 17.034 15.713 ( -5.736 -21.361 -8.549) 23.712 16.689 ( 8.872 11.228 10.334) 17.652 16.793 ( 0.446 1.763 -0.160) 1.826 16.891 ( 6.098 11.181 8.807) 15.484 17.071 ( 2.340 -5.868 3.410) 7.179 18.545 ( -0.704 6.433 1.739) 6.701 18.652 ( -4.879 -3.139 -7.293) 9.319 18.972 ( 0.785 4.309 0.980) 4.488 19.041 ( -4.958 -2.475 -8.014) 9.744 19.549 ( 1.077 8.207 4.839) 9.588 19.577 ( -1.549 5.457 0.993) 5.759 20.322 ( -1.116 1.443 -0.262) 1.843 20.342 ( -2.047 -0.592 0.716) 2.248 20.755 ( 1.600 5.089 -2.923) 6.083 20.781 ( -0.857 2.985 2.161) 3.783 21.640 ( 3.959 -4.300 -0.855) 5.907 21.716 ( 4.786 -11.477 -0.778) 12.459 ======================= Grid point 49 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -7.258 0.000 25.121) 26.149 0.625 ( 10.662 0.000 27.118) 29.139 0.928 ( 20.320 0.000 38.805) 43.804 1.263 ( -1.407 0.000 -2.630) 2.982 1.550 ( 1.039 0.000 1.844) 2.116 1.560 ( -2.134 0.000 3.179) 3.829 1.613 ( 3.391 0.000 -2.768) 4.378 1.747 ( 5.128 0.000 5.350) 7.411 1.933 ( -0.460 0.000 -0.189) 0.498 2.033 ( -1.699 0.000 -1.153) 2.053 2.060 ( 1.638 0.000 -0.187) 1.648 2.179 ( -3.556 0.000 2.020) 4.090 2.335 ( -1.073 0.000 -1.529) 1.868 2.356 ( 0.037 0.000 2.970) 2.970 2.392 ( 7.114 0.000 0.465) 7.129 2.495 ( 2.258 0.000 -0.368) 2.288 2.557 ( 0.884 0.000 1.045) 1.369 2.747 ( -3.112 0.000 -6.064) 6.816 2.890 ( -1.028 0.000 0.317) 1.076 2.910 ( 0.416 0.000 -4.517) 4.536 3.305 ( 6.907 0.000 2.690) 7.413 3.540 ( -0.304 0.000 0.169) 0.347 3.650 ( -6.145 0.000 -11.000) 12.600 3.750 ( -5.310 0.000 -6.785) 8.616 3.882 ( -5.355 0.000 -6.041) 8.073 4.092 ( 8.186 0.000 8.938) 12.120 4.417 ( -10.330 0.000 -12.838) 16.477 4.582 ( -0.809 0.000 3.414) 3.509 4.684 ( 2.890 0.000 3.794) 4.769 4.745 ( 5.485 0.000 5.147) 7.522 4.858 ( 5.060 0.000 4.945) 7.075 5.061 ( -4.722 0.000 -9.027) 10.187 5.261 ( -15.683 0.000 1.862) 15.793 5.345 ( -5.484 0.000 3.371) 6.437 5.459 ( 0.552 0.000 -4.947) 4.978 5.657 ( -9.948 0.000 -1.247) 10.026 5.842 ( -12.541 0.000 -6.223) 14.000 6.047 ( 0.138 0.000 -7.948) 7.949 6.050 ( 10.845 0.000 6.616) 12.704 6.292 ( -4.454 0.000 -0.325) 4.466 6.302 ( 5.337 0.000 4.396) 6.914 6.531 ( -1.546 0.000 2.680) 3.094 6.622 ( -1.864 0.000 -0.417) 1.910 6.695 ( 0.093 0.000 -0.221) 0.240 6.748 ( -0.163 0.000 0.109) 0.196 6.800 ( -0.216 0.000 4.760) 4.765 6.878 ( 0.795 0.000 -4.848) 4.912 7.036 ( 1.198 0.000 0.407) 1.265 7.134 ( -4.723 0.000 0.381) 4.739 7.233 ( -1.249 0.000 -0.242) 1.272 7.352 ( -1.445 0.000 2.858) 3.202 7.448 ( 6.174 0.000 4.053) 7.386 7.577 ( 0.592 0.000 0.902) 1.079 7.688 ( 3.509 0.000 -1.132) 3.687 7.778 ( -2.852 0.000 -2.361) 3.703 8.151 ( -6.498 0.000 -4.239) 7.758 8.828 ( 4.908 0.000 1.586) 5.158 9.021 ( 0.530 0.000 0.676) 0.859 9.144 ( 0.030 0.000 -1.983) 1.983 9.228 ( -1.067 0.000 -2.721) 2.923 9.336 ( 6.282 0.000 8.131) 10.275 9.488 ( 8.659 0.000 12.608) 15.295 9.553 ( 7.186 0.000 9.607) 11.997 9.743 ( -2.979 0.000 -5.421) 6.186 10.099 ( -4.318 0.000 -4.060) 5.927 10.191 ( 2.742 0.000 3.874) 4.746 10.221 ( -0.813 0.000 -1.827) 2.000 10.275 ( -1.212 0.000 -0.099) 1.216 10.400 ( 1.852 0.000 -3.241) 3.733 10.620 ( 2.194 0.000 0.551) 2.263 10.632 ( 3.375 0.000 -0.718) 3.451 10.821 ( 4.759 0.000 4.088) 6.274 10.972 ( 43.600 0.000 5.011) 43.887 11.339 ( -0.869 0.000 -6.734) 6.790 11.590 ( -25.934 0.000 -36.045) 44.405 11.625 ( 19.018 0.000 2.108) 19.134 11.993 ( 1.567 0.000 -2.218) 2.715 12.167 ( -17.727 0.000 -13.323) 22.175 12.892 ( 3.906 0.000 6.583) 7.654 13.010 ( -0.057 0.000 4.309) 4.310 13.185 ( 6.024 0.000 2.494) 6.520 13.266 ( 0.894 0.000 1.516) 1.760 13.356 ( 2.521 0.000 5.408) 5.967 13.654 ( 1.292 0.000 -0.155) 1.302 14.268 ( 15.154 0.000 17.607) 23.231 14.507 ( -4.057 0.000 12.716) 13.348 14.839 ( 2.511 0.000 2.767) 3.736 15.543 ( 4.040 0.000 -13.370) 13.967 15.690 ( 14.321 0.000 20.051) 24.640 15.973 ( -9.265 0.000 -11.727) 14.945 16.190 ( -11.796 0.000 -24.693) 27.365 16.817 ( 11.251 0.000 1.019) 11.297 16.891 ( -1.807 0.000 0.330) 1.837 16.956 ( -4.490 0.000 -5.566) 7.152 17.300 ( 0.238 0.000 0.414) 0.477 17.514 ( -4.929 0.000 -7.037) 8.592 17.795 ( 78.900 0.000 5.169) 79.069 18.171 ( 7.779 0.000 6.299) 10.009 18.222 ( 7.914 0.000 11.702) 14.127 18.484 ( 12.766 0.000 9.359) 15.829 18.883 ( -3.233 0.000 -5.313) 6.219 19.588 ( -0.066 0.000 -7.595) 7.596 20.084 ( -1.781 0.000 3.311) 3.759 20.414 ( 1.566 0.000 -2.851) 3.253 20.741 ( -0.370 0.000 2.475) 2.502 21.058 ( -20.327 0.000 -6.927) 21.475 21.357 ( -1.672 0.000 6.913) 7.112 22.266 ( -72.181 0.000 -2.384) 72.220 ======================= Grid point 50 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 17.977 0.000 15.070) 23.458 0.913 ( 14.179 0.000 17.013) 22.147 1.205 ( -4.621 0.000 -3.472) 5.780 1.447 ( 23.008 0.000 18.213) 29.344 1.490 ( -4.370 0.000 2.633) 5.102 1.624 ( 5.223 0.000 6.937) 8.683 1.691 ( 4.572 0.000 2.023) 4.999 1.821 ( 2.434 0.000 8.862) 9.191 1.905 ( 1.808 0.000 1.619) 2.427 2.028 ( 0.788 0.000 -4.649) 4.716 2.049 ( -2.599 0.000 1.863) 3.197 2.133 ( -1.607 0.000 4.497) 4.776 2.313 ( -0.601 0.000 -6.325) 6.354 2.401 ( 3.925 0.000 3.176) 5.049 2.484 ( 0.287 0.000 -3.258) 3.270 2.554 ( 3.860 0.000 -1.680) 4.210 2.602 ( 2.697 0.000 1.565) 3.118 2.675 ( -2.062 0.000 -7.823) 8.091 2.873 ( -4.067 0.000 -4.371) 5.971 2.938 ( 4.029 0.000 -2.440) 4.710 3.434 ( 5.774 0.000 10.715) 12.172 3.523 ( -5.327 0.000 -7.883) 9.514 3.531 ( -2.644 0.000 -1.929) 3.272 3.631 ( -6.212 0.000 -6.292) 8.842 3.825 ( 1.427 0.000 3.990) 4.238 4.174 ( -11.761 0.000 -22.905) 25.748 4.246 ( 5.537 0.000 11.944) 13.165 4.517 ( -4.323 0.000 -3.422) 5.514 4.748 ( -3.324 0.000 2.502) 4.160 4.765 ( 6.011 0.000 5.067) 7.862 4.960 ( 0.639 0.000 -3.194) 3.257 5.022 ( -2.228 0.000 7.339) 7.669 5.130 ( 9.058 0.000 -4.426) 10.082 5.250 ( -3.269 0.000 1.945) 3.804 5.532 ( 4.370 0.000 0.864) 4.455 5.621 ( -4.576 0.000 0.986) 4.682 5.701 ( 3.326 0.000 -3.485) 4.817 6.032 ( -1.421 0.000 -6.723) 6.871 6.157 ( -5.979 0.000 -2.867) 6.631 6.289 ( 7.068 0.000 3.783) 8.017 6.415 ( 5.090 0.000 3.290) 6.061 6.510 ( 1.530 0.000 0.519) 1.616 6.586 ( -1.481 0.000 -0.468) 1.553 6.692 ( -0.576 0.000 5.011) 5.043 6.749 ( 0.624 0.000 1.012) 1.189 6.791 ( -0.664 0.000 1.082) 1.269 6.889 ( 0.219 0.000 -1.550) 1.566 7.055 ( -1.182 0.000 1.009) 1.554 7.079 ( 2.980 0.000 2.705) 4.025 7.191 ( -2.876 0.000 -2.042) 3.527 7.326 ( -1.245 0.000 2.425) 2.726 7.527 ( -1.511 0.000 0.662) 1.650 7.562 ( 1.399 0.000 2.754) 3.088 7.665 ( -3.849 0.000 -5.276) 6.531 7.874 ( -3.204 0.000 -4.471) 5.500 7.990 ( 2.983 0.000 0.896) 3.114 8.901 ( 2.463 0.000 -0.046) 2.463 9.034 ( 0.697 0.000 0.416) 0.812 9.136 ( -0.381 0.000 -2.690) 2.717 9.208 ( -0.754 0.000 -1.400) 1.590 9.443 ( 4.174 0.000 5.396) 6.822 9.644 ( -2.327 0.000 -3.803) 4.458 9.717 ( 8.270 0.000 10.441) 13.319 9.806 ( 17.102 0.000 24.633) 29.987 10.003 ( -4.534 0.000 -6.634) 8.035 10.205 ( -0.693 0.000 -1.937) 2.057 10.246 ( -0.692 0.000 -0.667) 0.961 10.256 ( 2.666 0.000 4.759) 5.455 10.368 ( -2.041 0.000 -2.191) 2.994 10.610 ( -0.916 0.000 -1.188) 1.500 10.659 ( 0.474 0.000 -0.716) 0.858 10.899 ( 2.052 0.000 4.405) 4.860 11.015 ( -28.825 0.000 -39.660) 49.029 11.093 ( -6.699 0.000 -5.299) 8.541 11.339 ( -7.882 0.000 -12.806) 15.037 11.713 ( -16.566 0.000 -1.378) 16.623 11.798 ( -5.111 0.000 -1.278) 5.268 11.994 ( -4.827 0.000 8.833) 10.065 12.934 ( 0.490 0.000 1.151) 1.251 13.089 ( 6.938 0.000 10.064) 12.223 13.278 ( 2.949 0.000 1.154) 3.167 13.300 ( 2.784 0.000 1.948) 3.398 13.405 ( 2.234 0.000 1.092) 2.486 13.583 ( -6.871 0.000 -9.670) 11.862 14.496 ( 6.849 0.000 16.101) 17.497 14.763 ( 25.497 0.000 21.004) 33.034 15.012 ( 13.147 0.000 19.490) 23.509 15.468 ( -12.176 0.000 -8.782) 15.013 15.679 ( -14.729 0.000 -19.903) 24.760 15.869 ( -19.235 0.000 -28.691) 34.542 16.025 ( 12.956 0.000 18.098) 22.257 16.793 ( -4.801 0.000 2.842) 5.579 16.840 ( -6.338 0.000 -8.567) 10.657 16.936 ( 1.395 0.000 -2.425) 2.797 17.311 ( 0.891 0.000 1.300) 1.576 17.418 ( -4.059 0.000 -5.709) 7.005 18.089 ( -8.963 0.000 -8.463) 12.327 18.276 ( -6.056 0.000 10.331) 11.975 18.395 ( 8.458 0.000 12.275) 14.907 18.791 ( -5.569 0.000 -8.072) 9.807 19.030 ( -0.590 0.000 3.678) 3.725 19.500 ( -27.696 0.000 24.916) 37.254 20.071 ( 0.400 0.000 1.605) 1.654 20.432 ( 0.259 0.000 -1.335) 1.360 20.611 ( 16.142 0.000 -13.941) 21.328 20.918 ( -15.213 0.000 3.679) 15.652 21.039 ( 26.786 0.000 -28.228) 38.914 22.114 ( 18.437 0.000 15.997) 24.410 ======================= Grid point 51 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -7.980 0.000 -5.108) 9.475 1.085 ( 17.662 0.000 5.508) 18.501 1.177 ( 3.752 0.000 9.798) 10.492 1.419 ( -1.372 0.000 1.434) 1.985 1.692 ( 3.361 0.000 0.991) 3.504 1.726 ( 3.849 0.000 3.510) 5.209 1.765 ( 2.561 0.000 -0.000) 2.561 1.845 ( -2.243 0.000 2.899) 3.665 1.973 ( 0.565 0.000 0.238) 0.613 2.034 ( 4.049 0.000 5.493) 6.824 2.060 ( -0.652 0.000 2.599) 2.679 2.216 ( 12.010 0.000 7.747) 14.292 2.306 ( -0.037 0.000 -9.815) 9.815 2.459 ( -0.761 0.000 0.415) 0.867 2.496 ( 2.237 0.000 -5.003) 5.480 2.618 ( -0.288 0.000 4.024) 4.034 2.629 ( 1.279 0.000 -6.577) 6.700 2.681 ( 2.942 0.000 -0.639) 3.011 2.764 ( -4.703 0.000 -1.304) 4.880 3.005 ( 3.624 0.000 -8.190) 8.956 3.347 ( -13.162 0.000 -9.606) 16.295 3.459 ( -0.660 0.000 0.558) 0.865 3.516 ( -4.230 0.000 -2.999) 5.186 3.556 ( 5.281 0.000 11.633) 12.776 3.903 ( -1.660 0.000 -2.122) 2.694 4.037 ( 4.552 0.000 -1.482) 4.787 4.253 ( -5.142 0.000 2.430) 5.687 4.465 ( -0.817 0.000 -5.655) 5.714 4.714 ( 0.366 0.000 6.250) 6.261 4.903 ( 0.587 0.000 -3.910) 3.954 4.933 ( 5.322 0.000 3.591) 6.420 5.085 ( 6.446 0.000 0.714) 6.486 5.176 ( -1.462 0.000 7.013) 7.164 5.366 ( 11.005 0.000 -6.849) 12.962 5.539 ( -2.388 0.000 -0.011) 2.388 5.554 ( -2.049 0.000 3.036) 3.663 5.749 ( -4.631 0.000 -3.820) 6.003 5.989 ( -2.484 0.000 -3.871) 4.599 6.106 ( 4.987 0.000 3.949) 6.361 6.363 ( 2.810 0.000 3.233) 4.283 6.471 ( -0.064 0.000 -3.273) 3.273 6.579 ( 0.965 0.000 1.992) 2.214 6.589 ( 3.111 0.000 -0.286) 3.124 6.697 ( 0.617 0.000 6.523) 6.552 6.766 ( -0.017 0.000 -2.705) 2.705 6.780 ( 0.208 0.000 1.358) 1.374 6.901 ( 1.304 0.000 5.140) 5.303 7.094 ( -3.617 0.000 -6.235) 7.208 7.099 ( 4.487 0.000 1.184) 4.641 7.172 ( 3.050 0.000 6.963) 7.602 7.306 ( -0.683 0.000 1.607) 1.746 7.352 ( -13.946 0.000 -6.604) 15.430 7.550 ( -4.502 0.000 -3.385) 5.632 7.683 ( 5.913 0.000 2.349) 6.363 7.733 ( -1.555 0.000 0.077) 1.557 8.140 ( 3.243 0.000 -0.334) 3.260 8.926 ( 0.775 0.000 -2.430) 2.550 9.047 ( 0.461 0.000 -0.157) 0.487 9.134 ( 0.331 0.000 -1.306) 1.347 9.200 ( -0.088 0.000 -0.668) 0.673 9.502 ( 0.013 0.000 -1.325) 1.325 9.589 ( -0.276 0.000 -0.535) 0.602 9.831 ( -0.502 0.000 -2.251) 2.306 9.965 ( 3.855 0.000 2.697) 4.705 10.177 ( 12.325 0.000 17.315) 21.253 10.190 ( -0.857 0.000 -0.455) 0.971 10.205 ( -3.846 0.000 -5.623) 6.812 10.326 ( -2.591 0.000 -2.771) 3.793 10.346 ( -1.729 0.000 -1.161) 2.082 10.488 ( -8.556 0.000 -9.991) 13.154 10.598 ( -0.823 0.000 -1.900) 2.071 10.607 ( -7.159 0.000 -10.452) 12.669 10.839 ( -5.926 0.000 -8.052) 9.998 10.974 ( -6.808 0.000 -5.129) 8.524 11.106 ( -5.338 0.000 -2.321) 5.821 11.545 ( -3.880 0.000 27.832) 28.101 11.665 ( -4.548 0.000 -3.119) 5.515 11.951 ( -0.876 0.000 6.745) 6.801 12.947 ( 1.171 0.000 -2.007) 2.323 13.214 ( 1.965 0.000 2.455) 3.145 13.297 ( -1.177 0.000 1.490) 1.899 13.371 ( 3.715 0.000 1.799) 4.127 13.447 ( 1.772 0.000 -0.240) 1.788 13.462 ( -1.279 0.000 -2.740) 3.024 14.703 ( 12.873 0.000 18.219) 22.308 15.134 ( -18.035 0.000 -4.333) 18.548 15.296 ( 24.452 0.000 23.895) 34.188 15.299 ( 0.307 0.000 0.487) 0.576 15.363 ( -1.793 0.000 -0.157) 1.800 15.444 ( -19.773 0.000 -30.317) 36.196 16.203 ( 1.634 0.000 1.758) 2.400 16.717 ( -2.687 0.000 1.481) 3.068 16.747 ( -0.566 0.000 -0.394) 0.689 16.922 ( -2.106 0.000 -0.526) 2.171 17.339 ( 1.515 0.000 2.160) 2.638 17.353 ( -1.862 0.000 -2.568) 3.172 17.837 ( -14.497 0.000 -18.769) 23.716 18.150 ( -2.763 0.000 23.349) 23.512 18.544 ( 3.756 0.000 5.500) 6.661 18.673 ( -3.725 0.000 -5.277) 6.460 18.962 ( -8.262 0.000 -16.164) 18.153 19.275 ( 3.102 0.000 28.067) 28.238 20.098 ( 2.184 0.000 -0.499) 2.240 20.422 ( -1.191 0.000 0.505) 1.293 20.626 ( -7.319 0.000 -1.714) 7.517 20.736 ( -3.770 0.000 6.410) 7.436 21.554 ( 17.463 0.000 -41.651) 45.163 22.477 ( 15.898 0.000 16.890) 23.195 ======================= Grid point 52 (20/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -7.042 0.000 -6.719) 9.734 1.191 ( -0.670 0.000 9.152) 9.176 1.370 ( 10.068 0.000 -1.051) 10.122 1.450 ( 2.564 0.000 0.090) 2.565 1.698 ( -2.963 0.000 -0.378) 2.987 1.742 ( -0.308 0.000 2.791) 2.808 1.748 ( -5.765 0.000 -3.937) 6.981 1.811 ( 1.175 0.000 -4.183) 4.345 1.965 ( -0.495 0.000 1.633) 1.706 2.061 ( -0.245 0.000 9.497) 9.500 2.178 ( 7.103 0.000 0.190) 7.105 2.243 ( -9.382 0.000 -11.224) 14.628 2.349 ( -0.765 0.000 -8.743) 8.776 2.379 ( -0.980 0.000 -1.657) 1.925 2.486 ( -5.795 0.000 -9.848) 11.426 2.567 ( -0.069 0.000 -4.453) 4.454 2.661 ( -0.404 0.000 7.260) 7.271 2.742 ( 0.875 0.000 5.187) 5.260 2.761 ( 4.746 0.000 -1.230) 4.903 3.065 ( -3.763 0.000 -18.442) 18.822 3.142 ( 0.515 0.000 2.507) 2.559 3.489 ( 3.872 0.000 5.697) 6.888 3.501 ( 2.870 0.000 4.752) 5.551 3.657 ( 4.228 0.000 9.810) 10.682 3.803 ( -4.966 0.000 -8.150) 9.544 4.121 ( -6.698 0.000 -5.834) 8.882 4.237 ( 11.511 0.000 15.409) 19.234 4.419 ( -3.730 0.000 -9.818) 10.502 4.753 ( 2.166 0.000 11.207) 11.414 4.863 ( -2.186 0.000 -6.290) 6.659 5.058 ( 5.097 0.000 1.715) 5.378 5.171 ( 0.863 0.000 7.006) 7.059 5.263 ( 7.031 0.000 1.938) 7.293 5.476 ( -5.104 0.000 3.683) 6.294 5.491 ( -3.120 0.000 -3.712) 4.849 5.573 ( 9.249 0.000 -5.822) 10.929 5.668 ( 3.151 0.000 5.774) 6.578 5.934 ( -2.670 0.000 -0.731) 2.768 6.220 ( 3.572 0.000 2.584) 4.408 6.432 ( -3.160 0.000 -6.413) 7.150 6.475 ( 6.567 0.000 3.779) 7.576 6.550 ( -9.036 0.000 -3.187) 9.581 6.608 ( 1.353 0.000 2.681) 3.003 6.718 ( 2.948 0.000 10.333) 10.745 6.750 ( -0.629 0.000 -2.440) 2.520 6.791 ( 0.268 0.000 -1.777) 1.797 6.918 ( -1.040 0.000 7.285) 7.358 7.024 ( -1.643 0.000 -4.618) 4.902 7.057 ( -8.936 0.000 -8.583) 12.391 7.237 ( 2.155 0.000 7.219) 7.534 7.245 ( 7.001 0.000 1.319) 7.124 7.310 ( 1.360 0.000 1.437) 1.979 7.492 ( -1.063 0.000 -2.449) 2.670 7.682 ( -1.470 0.000 0.011) 1.470 7.874 ( 5.038 0.000 4.145) 6.524 8.097 ( -3.107 0.000 -3.862) 4.957 8.938 ( -0.289 0.000 -3.510) 3.522 9.050 ( -0.186 0.000 -0.751) 0.773 9.150 ( 1.219 0.000 0.319) 1.260 9.202 ( 0.216 0.000 -0.450) 0.499 9.437 ( -4.556 0.000 -7.896) 9.116 9.646 ( 3.876 0.000 5.016) 6.339 9.745 ( -5.817 0.000 -10.774) 12.244 9.864 ( -21.613 0.000 -30.415) 37.312 10.081 ( 2.158 0.000 3.552) 4.156 10.144 ( -3.986 0.000 -6.728) 7.820 10.197 ( -2.205 0.000 -3.894) 4.474 10.226 ( -4.273 0.000 -8.102) 9.160 10.294 ( 1.858 0.000 3.770) 4.203 10.441 ( -3.500 0.000 -5.633) 6.631 10.603 ( 0.426 0.000 -2.107) 2.149 10.772 ( -2.447 0.000 -0.489) 2.495 10.836 ( -4.460 0.000 -6.865) 8.187 10.893 ( 27.020 0.000 39.996) 48.268 11.101 ( 1.766 0.000 7.068) 7.285 11.546 ( 2.200 0.000 18.026) 18.159 11.629 ( 1.545 0.000 8.323) 8.466 11.943 ( -0.205 0.000 5.267) 5.271 12.982 ( 2.307 0.000 -4.462) 5.023 13.118 ( -7.424 0.000 -10.627) 12.964 13.264 ( -2.611 0.000 3.685) 4.516 13.421 ( 0.581 0.000 -0.271) 0.641 13.465 ( -0.409 0.000 -0.402) 0.574 13.546 ( 5.461 0.000 7.111) 8.966 14.748 ( -18.638 0.000 -5.011) 19.300 14.983 ( -14.635 0.000 -21.524) 26.028 15.006 ( 15.751 0.000 21.473) 26.630 15.107 ( -12.084 0.000 -25.736) 28.432 15.657 ( 14.638 0.000 22.843) 27.131 15.782 ( 22.155 0.000 25.106) 33.484 16.074 ( -11.916 0.000 -17.500) 21.171 16.672 ( -2.557 0.000 -1.884) 3.176 16.830 ( 6.514 0.000 9.954) 11.896 16.879 ( -1.514 0.000 -0.266) 1.537 17.317 ( -1.056 0.000 -1.442) 1.787 17.398 ( 3.616 0.000 5.140) 6.285 17.522 ( -15.493 0.000 -22.711) 27.493 18.174 ( 2.936 0.000 16.394) 16.655 18.450 ( -8.446 0.000 -11.407) 14.193 18.704 ( -14.483 0.000 -23.569) 27.663 18.738 ( 5.745 0.000 7.525) 9.467 19.464 ( 11.292 0.000 23.306) 25.897 20.152 ( 3.033 0.000 -2.350) 3.836 20.386 ( -2.448 0.000 2.218) 3.304 20.519 ( -2.332 0.000 -0.720) 2.441 20.655 ( -4.799 0.000 7.063) 8.540 21.739 ( 3.946 0.000 -31.225) 31.473 22.757 ( 11.539 0.000 16.954) 20.508 ======================= Grid point 53 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.589 0.000 -5.777) 5.807 1.214 ( 2.095 0.000 6.637) 6.960 1.413 ( -9.648 0.000 -7.411) 12.166 1.460 ( -2.032 0.000 0.773) 2.174 1.624 ( -1.830 0.000 1.139) 2.156 1.649 ( -3.066 0.000 -7.005) 7.647 1.737 ( -0.507 0.000 2.099) 2.160 1.790 ( -3.079 0.000 -2.103) 3.729 1.960 ( -1.191 0.000 -0.537) 1.307 1.986 ( -5.799 0.000 6.963) 9.061 2.027 ( -8.237 0.000 -2.799) 8.699 2.272 ( 2.962 0.000 -4.789) 5.631 2.274 ( -2.222 0.000 -14.775) 14.942 2.389 ( -4.758 0.000 -0.603) 4.796 2.407 ( 1.192 0.000 -5.068) 5.206 2.530 ( -4.409 0.000 -2.983) 5.323 2.626 ( -0.908 0.000 1.264) 1.556 2.766 ( 1.602 0.000 5.690) 5.911 2.827 ( -0.489 0.000 -0.734) 0.882 2.986 ( 0.592 0.000 -14.464) 14.476 3.173 ( -1.623 0.000 2.896) 3.320 3.591 ( 5.281 0.000 5.852) 7.882 3.645 ( 10.309 0.000 11.686) 15.583 3.699 ( -3.100 0.000 -2.190) 3.795 3.784 ( 6.369 0.000 9.153) 11.151 4.004 ( -4.303 0.000 -7.444) 8.598 4.324 ( -4.569 0.000 -13.487) 14.240 4.452 ( 8.136 0.000 9.890) 12.807 4.779 ( -0.310 0.000 10.371) 10.376 4.816 ( -2.316 0.000 -3.347) 4.070 5.131 ( 0.390 0.000 0.452) 0.597 5.213 ( 2.772 0.000 6.147) 6.744 5.268 ( -1.344 0.000 -6.929) 7.058 5.346 ( -6.866 0.000 4.313) 8.108 5.525 ( 4.397 0.000 4.540) 6.321 5.680 ( -0.317 0.000 -1.375) 1.411 5.892 ( 15.601 0.000 9.019) 18.020 5.923 ( 3.213 0.000 -2.411) 4.017 6.274 ( 2.487 0.000 3.791) 4.534 6.320 ( -9.982 0.000 -2.257) 10.234 6.340 ( -5.675 0.000 -7.205) 9.171 6.566 ( 2.907 0.000 4.167) 5.081 6.628 ( 0.718 0.000 3.475) 3.549 6.740 ( -3.823 0.000 3.798) 5.389 6.742 ( -0.824 0.000 -1.199) 1.455 6.786 ( 0.031 0.000 -2.882) 2.882 6.895 ( -0.266 0.000 2.530) 2.544 6.955 ( -1.787 0.000 -6.737) 6.970 7.013 ( -0.355 0.000 0.907) 0.974 7.259 ( 0.241 0.000 3.809) 3.816 7.354 ( 2.189 0.000 3.327) 3.983 7.406 ( 4.288 0.000 3.586) 5.590 7.551 ( 10.822 0.000 1.518) 10.927 7.596 ( -7.597 0.000 -5.913) 9.627 7.830 ( -2.463 0.000 2.508) 3.515 8.134 ( 0.751 0.000 -2.462) 2.574 8.906 ( -2.159 0.000 -4.434) 4.932 9.041 ( -0.602 0.000 -0.704) 0.926 9.174 ( 0.678 0.000 -0.086) 0.683 9.196 ( -0.722 0.000 -1.533) 1.694 9.326 ( -6.262 0.000 -10.377) 12.120 9.500 ( -11.529 0.000 -17.008) 20.547 9.612 ( -6.784 0.000 -10.471) 12.476 9.731 ( 3.559 0.000 3.881) 5.266 9.909 ( -9.254 0.000 -20.551) 22.539 10.157 ( -1.618 0.000 -3.444) 3.805 10.180 ( -0.371 0.000 2.292) 2.321 10.220 ( 3.106 0.000 2.627) 4.068 10.315 ( 0.304 0.000 2.692) 2.710 10.426 ( 0.862 0.000 1.385) 1.632 10.613 ( 0.607 0.000 -2.247) 2.327 10.708 ( -3.101 0.000 -3.050) 4.349 10.793 ( -0.911 0.000 -1.795) 2.013 11.164 ( 4.298 0.000 7.047) 8.254 11.458 ( 26.661 0.000 38.815) 47.089 11.552 ( -1.244 0.000 -5.584) 5.721 11.802 ( 12.889 0.000 25.015) 28.140 11.952 ( 1.673 0.000 7.925) 8.100 12.960 ( -5.764 0.000 -9.456) 11.074 13.048 ( 2.296 0.000 -5.894) 6.325 13.197 ( -3.924 0.000 5.131) 6.460 13.392 ( -3.646 0.000 -3.674) 5.176 13.415 ( -3.817 0.000 -0.094) 3.818 13.579 ( -3.118 0.000 -6.304) 7.033 14.408 ( -14.706 0.000 -6.579) 16.110 14.791 ( -2.727 0.000 -5.179) 5.853 14.920 ( -5.931 0.000 -12.206) 13.571 15.351 ( 16.762 0.000 23.127) 28.562 15.763 ( -13.876 0.000 -19.887) 24.249 15.941 ( 9.302 0.000 14.630) 17.336 16.190 ( 17.078 0.000 21.441) 27.412 16.577 ( -7.455 0.000 -8.905) 11.613 16.875 ( 0.992 0.000 -1.068) 1.458 16.953 ( 4.727 0.000 7.666) 9.006 17.225 ( -12.343 0.000 -19.272) 22.885 17.303 ( -0.332 0.000 -0.352) 0.484 17.488 ( 4.877 0.000 6.833) 8.394 18.213 ( -2.426 0.000 0.143) 2.430 18.269 ( -8.624 0.000 -11.575) 14.434 18.440 ( -7.644 0.000 -10.355) 12.871 18.843 ( 4.243 0.000 4.979) 6.541 19.684 ( 8.746 0.000 17.521) 19.583 20.208 ( 2.166 0.000 -2.717) 3.475 20.333 ( -2.396 0.000 2.662) 3.582 20.535 ( 3.851 0.000 -0.713) 3.916 20.569 ( -3.031 0.000 3.604) 4.709 21.729 ( -3.378 0.000 -24.075) 24.311 22.964 ( 8.683 0.000 15.310) 17.601 ======================= Grid point 54 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -5.770 0.000 -0.751) 5.819 1.040 ( -22.842 0.000 -3.714) 23.142 1.230 ( 0.653 0.000 1.467) 1.605 1.465 ( 3.867 0.000 3.704) 5.354 1.517 ( -12.718 0.000 8.522) 15.310 1.614 ( -0.733 0.000 -2.224) 2.342 1.675 ( -10.100 0.000 -2.398) 10.381 1.724 ( -2.872 0.000 1.906) 3.447 1.896 ( 1.046 0.000 0.108) 1.051 1.926 ( -1.468 0.000 -0.654) 1.607 1.956 ( 0.607 0.000 -0.673) 0.906 2.247 ( 0.143 0.000 -6.602) 6.604 2.312 ( -1.599 0.000 3.112) 3.498 2.324 ( 2.462 0.000 -2.032) 3.192 2.396 ( -1.556 0.000 -4.425) 4.690 2.493 ( 1.003 0.000 -1.903) 2.151 2.608 ( -1.897 0.000 -3.094) 3.630 2.759 ( -3.588 0.000 -3.162) 4.783 2.814 ( 2.877 0.000 1.938) 3.469 3.036 ( 0.618 0.000 -8.445) 8.468 3.109 ( -1.446 0.000 1.113) 1.825 3.626 ( -3.552 0.000 -0.435) 3.578 3.703 ( 5.127 0.000 4.599) 6.887 3.818 ( 3.930 0.000 4.090) 5.672 3.933 ( 6.293 0.000 7.769) 9.998 3.958 ( -0.290 0.000 -3.893) 3.904 4.279 ( 2.937 0.000 -9.005) 9.471 4.557 ( 2.783 0.000 3.003) 4.095 4.748 ( -5.578 0.000 -2.466) 6.099 4.751 ( -2.408 0.000 7.497) 7.874 5.011 ( -9.239 0.000 -2.352) 9.533 5.264 ( 1.146 0.000 2.082) 2.377 5.291 ( 3.043 0.000 -0.469) 3.079 5.300 ( 1.974 0.000 0.015) 1.974 5.586 ( -7.171 0.000 4.783) 8.620 5.632 ( 6.189 0.000 5.796) 8.479 6.025 ( 4.868 0.000 -9.324) 10.518 6.161 ( 6.022 0.000 5.380) 8.075 6.205 ( -0.815 0.000 -1.000) 1.290 6.219 ( -4.835 0.000 -2.865) 5.621 6.356 ( 5.169 0.000 5.854) 7.810 6.570 ( -10.611 0.000 -1.989) 10.796 6.625 ( 3.198 0.000 6.789) 7.505 6.650 ( 1.257 0.000 3.953) 4.148 6.715 ( -1.002 0.000 -1.203) 1.565 6.801 ( 0.760 0.000 0.936) 1.205 6.897 ( -0.196 0.000 -0.891) 0.913 6.963 ( 4.321 0.000 -0.352) 4.336 7.007 ( 0.088 0.000 0.291) 0.304 7.257 ( -0.433 0.000 2.147) 2.191 7.383 ( 0.491 0.000 3.310) 3.346 7.434 ( 0.439 0.000 -1.965) 2.014 7.461 ( -4.244 0.000 -6.480) 7.746 7.808 ( 2.045 0.000 5.060) 5.457 7.863 ( 12.010 0.000 3.429) 12.490 8.037 ( -7.737 0.000 -5.869) 9.711 8.822 ( -7.031 0.000 -6.409) 9.513 9.026 ( -0.885 0.000 -0.564) 1.050 9.134 ( -3.312 0.000 -5.951) 6.811 9.208 ( 2.415 0.000 -0.241) 2.427 9.252 ( -0.323 0.000 -1.985) 2.012 9.375 ( -2.125 0.000 -4.402) 4.888 9.480 ( -5.288 0.000 -6.242) 8.181 9.743 ( -6.892 0.000 -14.466) 16.024 9.788 ( 1.638 0.000 1.077) 1.961 10.134 ( -0.418 0.000 -1.538) 1.594 10.172 ( -0.117 0.000 2.178) 2.181 10.258 ( 0.240 0.000 1.282) 1.305 10.313 ( -0.558 0.000 1.867) 1.949 10.464 ( 2.611 0.000 2.545) 3.646 10.616 ( -0.694 0.000 -3.135) 3.211 10.663 ( -0.714 0.000 -1.259) 1.447 10.776 ( -0.872 0.000 -0.713) 1.126 11.275 ( 6.271 0.000 6.676) 9.159 11.508 ( -2.917 0.000 -6.293) 6.936 11.929 ( 16.553 0.000 24.075) 29.216 11.937 ( 1.461 0.000 1.319) 1.969 12.171 ( 15.851 0.000 21.842) 26.987 12.856 ( -4.048 0.000 -5.768) 7.047 13.067 ( -1.100 0.000 -8.831) 8.899 13.118 ( -4.014 0.000 5.458) 6.775 13.274 ( -5.884 0.000 -3.286) 6.740 13.360 ( -1.989 0.000 1.486) 2.482 13.489 ( -1.755 0.000 -9.654) 9.812 14.162 ( -9.121 0.000 -5.114) 10.457 14.812 ( -5.865 0.000 1.782) 6.129 14.845 ( 5.497 0.000 6.753) 8.707 15.481 ( -10.907 0.000 -15.365) 18.842 15.666 ( 11.918 0.000 18.868) 22.317 16.094 ( 4.311 0.000 7.386) 8.552 16.323 ( -11.103 0.000 -17.573) 20.786 16.484 ( 6.005 0.000 10.495) 12.091 16.903 ( 1.457 0.000 -2.352) 2.767 17.018 ( 1.571 0.000 3.353) 3.702 17.050 ( -4.200 0.000 -5.819) 7.176 17.300 ( -0.072 0.000 0.095) 0.119 17.581 ( 3.458 0.000 4.647) 5.792 18.068 ( -6.761 0.000 -9.184) 11.404 18.120 ( -5.078 0.000 -6.486) 8.237 18.428 ( 2.353 0.000 5.471) 5.955 18.908 ( 1.998 0.000 1.563) 2.537 19.780 ( -0.512 0.000 12.283) 12.294 20.202 ( -2.768 0.000 2.385) 3.654 20.327 ( 1.873 0.000 -2.207) 2.894 20.571 ( 3.423 0.000 -1.291) 3.658 20.686 ( 11.643 0.000 0.195) 11.645 21.600 ( -8.405 0.000 -18.786) 20.580 23.124 ( 6.614 0.000 9.609) 11.665 ======================= Grid point 55 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -6.870 0.000 17.094) 18.423 0.660 ( -10.283 0.000 20.890) 23.284 1.058 ( -26.832 0.000 19.983) 33.456 1.267 ( 1.346 0.000 -0.855) 1.595 1.554 ( -1.846 0.000 -2.782) 3.339 1.556 ( 3.011 0.000 4.499) 5.413 1.635 ( 3.949 0.000 0.766) 4.023 1.636 ( -5.049 0.000 0.483) 5.072 1.920 ( 0.715 0.000 2.408) 2.512 1.990 ( 5.534 0.000 -2.835) 6.218 2.005 ( 3.305 0.000 -1.359) 3.574 2.232 ( -1.443 0.000 -2.724) 3.083 2.328 ( 1.285 0.000 3.011) 3.274 2.358 ( 0.026 0.000 1.145) 1.146 2.362 ( -0.958 0.000 -0.397) 1.037 2.502 ( -1.747 0.000 -0.902) 1.966 2.553 ( -1.085 0.000 -2.457) 2.686 2.746 ( 2.027 0.000 -2.921) 3.555 2.874 ( 2.832 0.000 -3.133) 4.223 2.961 ( -4.775 0.000 -0.563) 4.808 3.172 ( 5.380 0.000 -3.193) 6.256 3.566 ( -2.278 0.000 0.101) 2.280 3.744 ( -2.018 0.000 -4.607) 5.030 3.839 ( -1.929 0.000 -3.043) 3.603 3.957 ( 3.189 0.000 -0.794) 3.286 3.983 ( -2.281 0.000 -1.842) 2.931 4.452 ( 11.408 0.000 3.781) 12.019 4.585 ( -5.936 0.000 -6.796) 9.024 4.615 ( 1.136 0.000 4.253) 4.402 4.704 ( -1.925 0.000 4.802) 5.174 4.870 ( -4.855 0.000 1.474) 5.074 5.212 ( -6.685 0.000 -5.314) 8.540 5.336 ( 1.187 0.000 0.537) 1.303 5.393 ( 5.873 0.000 -3.694) 6.938 5.453 ( -5.670 0.000 6.578) 8.684 5.784 ( 8.278 0.000 5.256) 9.805 6.051 ( -0.596 0.000 -11.673) 11.688 6.085 ( -12.035 0.000 -7.098) 13.972 6.135 ( -9.747 0.000 -9.567) 13.658 6.211 ( 3.305 0.000 3.512) 4.823 6.365 ( -1.578 0.000 4.178) 4.466 6.526 ( 1.978 0.000 -0.113) 1.982 6.654 ( -1.104 0.000 1.027) 1.508 6.690 ( 1.852 0.000 2.887) 3.429 6.729 ( 1.957 0.000 1.425) 2.421 6.804 ( -0.433 0.000 3.749) 3.774 6.881 ( -0.899 0.000 -4.640) 4.726 7.018 ( 0.777 0.000 -0.634) 1.002 7.130 ( 7.375 0.000 4.888) 8.848 7.248 ( -0.470 0.000 1.374) 1.452 7.378 ( -1.009 0.000 3.047) 3.210 7.406 ( -2.370 0.000 -5.173) 5.690 7.466 ( 6.121 0.000 2.245) 6.520 7.744 ( -6.907 0.000 -3.653) 7.813 7.860 ( -3.688 0.000 -3.965) 5.415 8.146 ( 8.005 0.000 3.580) 8.769 8.701 ( 0.813 0.000 4.805) 4.873 9.015 ( 0.008 0.000 0.522) 0.522 9.120 ( 1.676 0.000 0.870) 1.889 9.246 ( 0.108 0.000 -2.710) 2.713 9.253 ( 0.963 0.000 -0.173) 0.978 9.384 ( 2.637 0.000 3.054) 4.035 9.444 ( 2.581 0.000 4.140) 4.879 9.724 ( 15.178 0.000 16.354) 22.312 9.791 ( -1.268 0.000 -3.121) 3.368 10.145 ( 1.523 0.000 1.743) 2.315 10.162 ( -1.558 0.000 -0.085) 1.560 10.243 ( -1.190 0.000 -0.815) 1.442 10.297 ( -0.994 0.000 0.946) 1.372 10.498 ( -0.221 0.000 -2.367) 2.377 10.603 ( 0.667 0.000 0.038) 0.668 10.678 ( 1.442 0.000 4.024) 4.275 10.764 ( 0.522 0.000 -0.825) 0.976 11.407 ( 4.591 0.000 3.111) 5.546 11.433 ( -2.340 0.000 -2.969) 3.781 11.962 ( 1.218 0.000 0.228) 1.239 12.003 ( -10.868 0.000 -15.052) 18.566 12.373 ( 0.303 0.000 0.108) 0.321 12.823 ( 1.624 0.000 2.850) 3.280 13.043 ( -2.361 0.000 3.471) 4.198 13.073 ( 2.971 0.000 0.998) 3.134 13.224 ( 1.589 0.000 3.550) 3.889 13.336 ( -0.522 0.000 4.147) 4.179 13.553 ( 6.509 0.000 1.451) 6.669 14.080 ( 2.385 0.000 4.000) 4.657 14.662 ( -8.986 0.000 9.696) 13.220 14.879 ( -3.256 0.000 -5.581) 6.461 15.434 ( 7.566 0.000 10.863) 13.238 15.657 ( -12.896 0.000 -15.921) 20.488 16.107 ( -3.139 0.000 -3.128) 4.431 16.252 ( 6.977 0.000 7.295) 10.094 16.535 ( 1.657 0.000 4.038) 4.365 16.915 ( -0.222 0.000 -1.463) 1.480 17.018 ( -1.559 0.000 -1.110) 1.914 17.062 ( 6.476 0.000 5.864) 8.737 17.299 ( -0.055 0.000 0.090) 0.105 17.597 ( -2.241 0.000 -3.428) 4.096 18.036 ( 3.832 0.000 5.952) 7.079 18.097 ( 3.154 0.000 5.133) 6.025 18.458 ( -0.030 0.000 3.301) 3.302 18.922 ( -0.558 0.000 -1.967) 2.045 19.696 ( -6.666 0.000 3.156) 7.375 20.136 ( -3.349 0.000 3.980) 5.202 20.374 ( 2.432 0.000 -3.567) 4.318 20.666 ( 5.129 0.000 -0.817) 5.193 21.011 ( 19.565 0.000 3.320) 19.845 21.385 ( -12.129 0.000 -14.587) 18.971 23.164 ( -8.435 0.000 -11.655) 14.387 ======================= Grid point 56 (24/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -4.929 12.792 18.047) 22.664 0.874 ( 6.214 20.922 15.552) 26.800 1.272 ( 3.491 9.416 1.743) 10.192 1.367 ( 6.482 16.832 9.407) 20.342 1.526 ( 0.055 1.384 -0.034) 1.386 1.627 ( 1.188 6.820 1.148) 7.017 1.706 ( 0.649 5.937 2.558) 6.497 1.846 ( 1.644 0.545 1.300) 2.165 1.988 ( -1.213 3.269 -0.600) 3.538 2.085 ( -0.670 2.973 -0.174) 3.053 2.103 ( -2.573 4.746 0.974) 5.485 2.237 ( -0.238 8.347 -0.062) 8.351 2.300 ( -1.255 -3.279 -1.671) 3.888 2.392 ( 6.518 0.856 -1.468) 6.736 2.483 ( 0.513 0.054 -0.037) 0.517 2.526 ( -2.022 -1.322 1.356) 2.770 2.638 ( -0.142 16.996 2.741) 17.216 2.820 ( -1.758 -3.539 1.114) 4.105 2.842 ( 3.705 1.534 -1.690) 4.351 2.913 ( 1.337 10.972 -1.748) 11.190 3.278 ( -1.059 -5.957 -3.512) 6.996 3.419 ( -0.201 -12.334 -4.433) 13.108 3.496 ( -4.134 -3.652 -3.939) 6.778 3.751 ( -0.568 -2.015 -2.080) 2.951 3.868 ( 0.517 1.970 1.154) 2.341 4.044 ( 5.388 -3.997 4.275) 7.955 4.356 ( 1.685 -12.251 3.782) 12.932 4.591 ( -5.276 10.297 -9.358) 14.881 4.693 ( -3.153 1.165 -2.947) 4.470 4.848 ( 2.421 -2.858 2.253) 4.371 4.929 ( 8.397 7.476 2.693) 11.560 4.946 ( -7.100 -4.493 -3.096) 8.954 5.234 ( -9.913 -5.504 2.557) 11.624 5.258 ( 1.314 -5.782 2.772) 6.545 5.412 ( -5.397 -3.048 -2.630) 6.733 5.557 ( -1.302 -6.097 0.354) 6.244 5.757 ( -4.374 -5.411 -2.068) 7.259 5.957 ( 2.306 -2.671 0.392) 3.551 6.100 ( 3.075 0.574 -0.208) 3.135 6.332 ( -1.298 -0.837 -2.086) 2.596 6.402 ( 1.515 1.282 1.475) 2.473 6.461 ( -2.982 -2.080 -0.774) 3.717 6.497 ( 1.878 4.279 0.947) 4.767 6.725 ( 0.604 4.268 3.653) 5.650 6.812 ( 0.673 4.052 0.107) 4.109 6.932 ( 1.181 2.429 -2.164) 3.461 6.987 ( -0.076 4.739 0.558) 4.772 7.084 ( -4.834 -2.494 -0.429) 5.456 7.150 ( 0.001 10.833 -0.082) 10.834 7.249 ( -1.470 1.288 -0.359) 1.987 7.331 ( -2.341 -0.250 -0.940) 2.535 7.462 ( 3.176 -1.871 3.259) 4.920 7.532 ( 1.255 -0.959 2.339) 2.822 7.688 ( 4.898 -0.053 2.111) 5.333 7.804 ( -1.624 3.583 -2.511) 4.667 8.134 ( -6.948 -1.006 -4.468) 8.322 8.690 ( 5.443 -5.455 4.802) 9.080 9.173 ( -1.493 -3.192 -2.947) 4.594 9.207 ( 0.787 9.815 0.206) 9.849 9.312 ( -1.703 4.945 -3.867) 6.504 9.442 ( 3.487 5.665 5.489) 8.624 9.525 ( 6.722 -0.633 8.820) 11.108 9.707 ( 0.210 11.385 -1.061) 11.436 9.796 ( 0.895 13.446 2.398) 13.687 10.019 ( -0.926 -7.752 -0.594) 7.830 10.114 ( 1.700 -4.256 2.624) 5.281 10.182 ( -0.010 -3.724 0.966) 3.847 10.262 ( 0.309 2.051 -0.510) 2.136 10.445 ( -4.038 3.478 -5.549) 7.694 10.651 ( 3.036 0.200 2.272) 3.798 10.735 ( -1.861 6.216 -0.340) 6.498 10.875 ( 4.317 6.451 3.725) 8.610 11.170 ( 16.876 9.436 -7.865) 20.873 11.231 ( -13.123 -3.266 -13.445) 19.069 11.439 ( -2.535 -5.524 -14.836) 16.033 11.670 ( 9.702 0.559 -0.093) 9.718 11.898 ( -0.895 -6.164 2.515) 6.717 12.445 ( -19.967 21.029 -21.883) 36.329 12.881 ( 10.282 -7.077 13.425) 18.331 13.011 ( 7.614 -8.043 12.135) 16.429 13.133 ( 1.314 10.165 4.027) 11.013 13.281 ( 0.790 2.034 1.773) 2.811 13.370 ( -0.582 2.361 -3.634) 4.372 13.605 ( 1.075 -3.591 -1.899) 4.202 14.285 ( 4.283 0.750 10.217) 11.104 14.550 ( -3.523 5.494 6.315) 9.081 15.109 ( 7.672 21.108 9.673) 24.453 15.455 ( 6.417 -7.534 -12.616) 16.034 15.694 ( -3.760 -4.004 -5.016) 7.438 15.847 ( -3.467 -1.670 -4.680) 6.059 16.074 ( 3.137 -37.463 7.500) 38.335 16.500 ( 0.807 -23.276 -3.122) 23.498 16.673 ( 0.132 -0.667 -7.439) 7.470 16.792 ( -2.621 -17.786 -3.424) 18.301 16.881 ( 0.431 -27.124 -0.033) 27.127 17.338 ( -4.477 -8.609 -6.501) 11.680 18.202 ( 30.191 14.265 -3.520) 33.577 18.375 ( 3.784 16.500 5.007) 17.654 18.671 ( -3.150 16.467 -1.047) 16.798 18.793 ( 33.676 37.202 -6.984) 50.663 19.118 ( -1.034 17.329 -3.114) 17.637 19.549 ( 0.690 -2.400 -6.085) 6.577 20.123 ( -0.309 3.590 1.959) 4.101 20.452 ( 1.690 3.718 -2.896) 5.007 20.712 ( -3.899 -3.107 3.972) 6.374 21.025 ( -20.323 -3.125 -5.182) 21.204 21.262 ( -7.476 -7.683 8.494) 13.677 21.800 ( -28.544 -26.485 20.701) 44.099 ======================= Grid point 57 (25/72) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 13.307 9.997 12.313) 20.703 1.092 ( 11.479 12.897 12.935) 21.574 1.276 ( -2.424 6.236 -1.990) 6.980 1.503 ( -1.767 2.167 1.848) 3.352 1.575 ( 8.131 5.526 -0.455) 9.842 1.683 ( 4.074 6.139 13.007) 14.949 1.722 ( 1.055 3.658 -0.303) 3.819 1.885 ( 3.291 -0.589 1.699) 3.750 1.952 ( -0.382 4.983 1.538) 5.229 2.038 ( -2.740 0.054 0.488) 2.784 2.089 ( -0.412 2.876 1.101) 3.107 2.215 ( -1.081 4.429 3.869) 5.980 2.334 ( 4.071 3.703 -0.723) 5.550 2.474 ( -1.161 -1.797 0.127) 2.143 2.523 ( 3.412 -0.915 2.088) 4.103 2.541 ( 6.356 2.388 -2.373) 7.192 2.623 ( -0.722 7.589 -3.851) 8.541 2.762 ( -3.320 1.924 -3.567) 5.239 2.900 ( 0.619 14.541 0.585) 14.566 2.965 ( 3.565 2.760 -3.646) 5.798 3.121 ( -7.756 -20.129 -7.301) 22.773 3.390 ( -5.847 -2.961 -4.559) 7.984 3.561 ( 7.348 -1.570 5.926) 9.569 3.735 ( -0.652 0.997 -2.745) 2.993 3.888 ( 2.867 8.274 9.539) 12.949 4.178 ( 6.390 -5.843 7.834) 11.676 4.347 ( -13.049 8.012 -14.966) 21.411 4.380 ( -1.236 -5.411 -5.544) 7.845 4.715 ( 2.403 1.267 0.601) 2.782 4.753 ( -4.705 -6.388 -3.123) 8.526 4.955 ( 2.647 -2.540 1.262) 3.879 5.050 ( -2.856 3.310 2.054) 4.830 5.201 ( 10.489 0.223 -4.206) 11.303 5.222 ( -4.755 1.662 4.554) 6.790 5.416 ( 7.165 -11.110 0.938) 13.253 5.560 ( -0.026 -2.324 2.968) 3.770 5.670 ( -3.906 -2.686 -4.408) 6.473 5.956 ( -1.722 -3.039 -0.336) 3.509 6.189 ( 4.138 -6.806 3.028) 8.521 6.293 ( -3.045 5.595 -4.560) 7.834 6.372 ( -1.710 -3.605 -0.510) 4.022 6.494 ( 3.123 -2.540 -0.269) 4.034 6.554 ( 4.666 4.888 4.084) 7.896 6.722 ( -1.568 4.043 3.634) 5.658 6.836 ( 1.145 6.348 -0.718) 6.491 6.898 ( -3.567 3.062 -1.956) 5.092 6.987 ( -0.960 3.110 1.467) 3.570 7.054 ( 4.121 -1.349 2.618) 5.065 7.134 ( -1.568 9.523 -2.087) 9.874 7.225 ( -0.971 3.037 -0.218) 3.195 7.298 ( -1.245 -0.731 -0.370) 1.491 7.487 ( -1.512 -3.556 1.375) 4.101 7.554 ( 2.822 -0.968 3.094) 4.298 7.688 ( -4.784 1.949 -3.440) 6.206 7.892 ( -3.150 3.540 -3.362) 5.810 7.973 ( 3.474 -1.239 0.658) 3.746 8.814 ( 5.037 -6.283 2.604) 8.464 9.139 ( -1.388 -4.376 -1.419) 4.805 9.224 ( 0.714 9.822 -0.002) 9.848 9.288 ( -0.366 5.814 -3.037) 6.570 9.519 ( 3.410 0.585 5.551) 6.541 9.655 ( 1.435 3.060 1.267) 3.610 9.713 ( 4.232 -0.361 5.028) 6.582 9.885 ( 4.554 11.647 7.011) 14.337 9.984 ( 1.152 -1.959 2.424) 3.322 10.147 ( 1.269 -4.041 3.554) 5.529 10.189 ( 1.355 -0.738 2.034) 2.553 10.267 ( -0.063 2.607 -0.515) 2.658 10.365 ( -3.531 1.141 -3.475) 5.084 10.671 ( -5.618 -0.306 -9.585) 11.114 10.726 ( 1.968 3.433 2.181) 4.518 10.802 ( -17.601 2.082 -18.540) 25.649 10.962 ( 2.387 2.895 3.854) 5.380 11.126 ( -7.953 1.769 -8.029) 11.439 11.488 ( 1.294 3.184 -2.433) 4.211 11.754 ( -7.007 -2.803 3.082) 8.152 11.876 ( -10.140 10.644 -8.846) 17.157 12.000 ( -12.498 8.208 -5.743) 16.018 12.980 ( 2.129 3.294 2.737) 4.782 13.175 ( 4.956 6.575 6.780) 10.666 13.228 ( 7.772 -6.138 8.931) 13.335 13.296 ( 0.750 -1.054 0.875) 1.562 13.371 ( 1.149 1.851 -0.716) 2.294 13.609 ( -1.795 2.046 -3.201) 4.202 14.368 ( 5.612 -9.394 13.686) 17.523 14.627 ( 10.457 -2.084 7.978) 13.317 15.260 ( -16.935 -14.238 -24.378) 32.921 15.368 ( -3.369 0.203 -1.410) 3.658 15.486 ( 6.554 13.500 12.877) 19.774 16.012 ( 4.789 -10.886 7.117) 13.860 16.164 ( 5.721 -9.589 8.689) 14.148 16.486 ( -2.639 -25.770 -1.962) 25.979 16.558 ( -9.192 -2.276 -12.021) 15.303 16.717 ( -4.522 -14.066 -6.226) 16.033 16.894 ( 0.915 -29.357 0.769) 29.381 17.226 ( -5.311 -6.232 -6.959) 10.746 18.366 ( -7.164 14.061 -7.500) 17.472 18.409 ( 0.721 15.197 5.587) 16.208 18.740 ( 9.066 9.789 13.057) 18.668 19.043 ( -4.810 21.487 -8.120) 23.468 19.106 ( -5.503 7.588 -8.418) 12.598 19.492 ( -23.430 3.111 23.322) 33.205 20.118 ( -2.770 3.963 2.418) 5.406 20.462 ( -0.195 2.537 -0.888) 2.695 20.584 ( 15.338 -2.088 -12.671) 20.004 20.897 ( -13.064 -2.338 0.579) 13.284 21.007 ( 18.689 -1.210 -15.056) 24.030 21.980 ( 19.154 -11.544 15.688) 27.318 ======================= Grid point 58 (26/72) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 8.911 2.049 4.139) 10.036 1.139 ( -5.844 9.828 -3.107) 11.849 1.282 ( 3.513 7.293 7.388) 10.960 1.458 ( -0.361 2.829 2.488) 3.785 1.676 ( -0.240 -1.639 2.811) 3.262 1.739 ( 0.549 1.152 1.178) 1.736 1.753 ( 4.888 -0.078 -0.172) 4.891 1.928 ( -1.401 2.095 1.250) 2.814 1.974 ( -2.014 -0.668 0.318) 2.145 2.049 ( 7.764 1.893 4.713) 9.278 2.064 ( -1.055 0.726 1.195) 1.751 2.206 ( -0.281 -2.971 -1.476) 3.329 2.437 ( 2.583 2.522 -0.668) 3.672 2.494 ( 4.152 0.924 -0.026) 4.254 2.568 ( -3.012 -0.813 -4.353) 5.356 2.608 ( 2.173 6.463 1.182) 6.920 2.689 ( 6.416 4.062 -1.216) 7.690 2.727 ( 2.095 4.275 1.285) 4.931 2.827 ( -4.020 7.941 -6.518) 11.032 3.035 ( 2.764 6.192 -5.018) 8.435 3.074 ( 1.838 -8.080 6.241) 10.374 3.252 ( -7.252 -4.443 -4.039) 9.415 3.614 ( -1.787 0.814 -1.967) 2.779 3.736 ( 0.980 -1.939 -1.093) 2.432 3.977 ( -4.326 12.884 -2.599) 13.837 4.071 ( -1.372 5.596 3.482) 6.732 4.304 ( -4.102 0.619 -8.611) 9.558 4.350 ( 5.387 -6.221 2.566) 8.620 4.724 ( 1.905 -0.680 4.492) 4.926 4.798 ( 4.776 -7.686 2.653) 9.430 4.992 ( -1.754 1.990 -1.969) 3.304 5.021 ( 4.452 -3.289 -2.892) 6.246 5.150 ( -1.882 -2.509 4.942) 5.853 5.408 ( 7.531 0.152 -3.511) 8.311 5.519 ( -0.035 -3.295 4.379) 5.481 5.537 ( -3.170 -0.615 -2.735) 4.232 5.659 ( 5.175 -3.069 2.050) 6.356 5.941 ( 1.886 -5.800 0.566) 6.125 6.187 ( -6.373 7.949 -4.178) 11.012 6.247 ( 2.129 -8.245 2.982) 9.023 6.414 ( 4.978 -4.954 3.115) 7.683 6.516 ( -0.540 -0.604 -2.707) 2.825 6.638 ( 1.746 1.064 2.578) 3.290 6.680 ( -2.173 -1.909 5.630) 6.329 6.858 ( 0.670 7.431 -2.674) 7.925 6.868 ( 1.268 3.142 2.430) 4.169 6.998 ( 0.252 6.224 2.210) 6.609 7.059 ( -4.616 -0.522 -5.086) 6.888 7.151 ( 2.882 2.694 3.184) 5.069 7.220 ( 0.889 5.568 0.797) 5.695 7.279 ( -0.561 -0.303 -0.538) 0.834 7.383 ( -7.683 2.271 -2.858) 8.505 7.568 ( -4.879 0.527 -1.045) 5.018 7.649 ( 5.009 -2.370 0.203) 5.545 7.784 ( -0.039 5.843 0.630) 5.877 8.115 ( 2.917 -1.694 -0.363) 3.393 8.869 ( 1.075 -4.741 -2.697) 5.560 9.132 ( 0.465 -5.095 0.310) 5.125 9.232 ( 0.136 9.525 -0.850) 9.564 9.297 ( 1.210 7.205 -1.115) 7.391 9.567 ( 0.412 4.570 0.536) 4.620 9.630 ( -0.634 0.429 -0.364) 0.847 9.798 ( -1.581 1.089 -3.218) 3.747 9.885 ( 2.485 -6.619 2.021) 7.353 10.083 ( -1.818 -6.457 -2.365) 7.113 10.164 ( 0.476 -4.514 1.801) 4.883 10.201 ( -6.671 2.367 -7.074) 10.008 10.299 ( -1.624 2.002 -2.098) 3.324 10.326 ( 10.540 6.598 18.836) 22.570 10.397 ( -4.890 -0.293 -5.507) 7.370 10.705 ( -0.540 7.479 -2.187) 7.811 10.770 ( 0.596 7.101 1.788) 7.347 10.955 ( -6.292 5.492 -6.838) 10.794 11.000 ( -2.217 3.783 -0.934) 4.483 11.279 ( -19.370 18.595 -24.693) 36.479 11.622 ( 0.395 1.721 9.762) 9.920 11.658 ( -4.628 2.262 5.424) 7.481 11.966 ( 0.510 3.119 13.123) 13.499 13.012 ( 1.353 5.691 -1.505) 6.040 13.262 ( 1.327 3.370 -0.050) 3.623 13.295 ( 0.722 -5.680 -2.461) 6.232 13.340 ( 1.870 2.359 3.686) 4.759 13.421 ( 3.192 0.707 4.313) 5.412 13.550 ( -1.953 6.405 -2.643) 7.199 14.544 ( 10.963 -13.817 15.812) 23.688 14.862 ( -15.747 -20.518 -24.761) 35.806 14.927 ( 16.169 -11.987 19.333) 27.908 15.080 ( -18.653 -6.177 -2.991) 19.876 15.830 ( 12.932 19.734 16.002) 28.509 15.935 ( -6.412 14.693 -11.787) 19.898 16.212 ( -2.872 -8.674 -1.152) 9.209 16.425 ( -0.618 -29.141 3.689) 29.380 16.443 ( -4.127 -12.903 -5.320) 14.554 16.646 ( -0.078 -12.937 0.039) 12.937 16.908 ( 0.148 -28.366 -0.203) 28.367 17.159 ( -0.642 -7.454 -0.593) 7.505 18.151 ( -11.961 17.270 -15.781) 26.275 18.418 ( 0.784 15.636 14.535) 21.363 18.888 ( -6.844 21.344 -6.572) 23.358 18.893 ( 2.008 14.233 3.099) 14.705 18.981 ( -6.889 8.084 -10.660) 15.048 19.245 ( 0.823 -0.453 27.551) 27.567 20.127 ( 2.114 2.820 -0.591) 3.573 20.441 ( -1.809 1.530 1.120) 2.620 20.624 ( -6.513 -0.126 -2.058) 6.831 20.740 ( -2.660 0.384 4.644) 5.365 21.455 ( 17.834 -8.104 -34.404) 39.590 22.342 ( 15.518 -12.426 16.043) 25.546 ======================= Grid point 59 (27/72) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -5.972 11.395 -4.942) 13.782 1.182 ( 0.543 -1.538 5.465) 5.703 1.385 ( 6.091 1.970 1.668) 6.615 1.487 ( 1.699 1.420 0.794) 2.352 1.612 ( -5.616 -3.314 -1.093) 6.612 1.749 ( 0.179 0.394 3.246) 3.274 1.819 ( 1.241 0.668 -3.286) 3.575 1.889 ( -1.303 5.653 0.001) 5.801 1.966 ( 0.375 -0.626 1.746) 1.892 2.022 ( -2.049 -0.503 7.269) 7.569 2.175 ( 0.977 -6.528 -6.554) 9.301 2.230 ( 1.700 -1.524 -2.290) 3.234 2.360 ( -5.494 1.314 -3.831) 6.825 2.463 ( -3.503 -1.995 -5.181) 6.565 2.556 ( -0.436 -1.046 -2.400) 2.654 2.676 ( -0.787 16.966 -6.833) 18.307 2.737 ( 0.864 9.294 4.004) 10.157 2.789 ( 4.161 5.406 -1.044) 6.901 2.874 ( 3.221 10.969 5.326) 12.611 3.050 ( -0.235 5.843 -8.103) 9.993 3.133 ( 3.765 -6.686 6.151) 9.834 3.167 ( 0.842 -8.352 4.255) 9.411 3.565 ( -2.123 3.195 -6.385) 7.449 3.723 ( -3.464 -6.835 -5.208) 9.266 3.827 ( -2.045 7.284 0.125) 7.567 4.156 ( 0.072 3.695 2.385) 4.398 4.175 ( -3.452 -6.265 -10.620) 12.805 4.501 ( 7.724 7.836 9.119) 14.290 4.772 ( 1.848 1.501 7.425) 7.797 4.861 ( -1.625 -7.043 -1.482) 7.379 4.946 ( 1.321 -3.003 -1.791) 3.738 5.154 ( 2.018 -3.874 3.673) 5.707 5.203 ( 10.803 -4.597 3.095) 12.142 5.400 ( -3.558 -4.401 -1.506) 5.856 5.448 ( -4.987 -1.830 0.637) 5.350 5.552 ( 0.936 -0.375 4.765) 4.870 5.812 ( 10.351 8.563 -1.347) 13.502 6.007 ( -1.555 0.842 -0.657) 1.886 6.087 ( 0.961 -6.597 1.288) 6.790 6.296 ( 2.493 -8.059 4.194) 9.421 6.459 ( -2.439 -0.652 -3.957) 4.694 6.520 ( -2.169 -0.533 0.335) 2.258 6.609 ( -3.953 -4.983 -1.104) 6.456 6.651 ( -0.391 -3.610 4.627) 5.881 6.845 ( -0.934 4.412 0.638) 4.554 6.889 ( 0.747 6.513 -0.280) 6.562 6.946 ( -1.227 2.892 2.892) 4.270 7.018 ( 0.001 1.059 -1.699) 2.002 7.168 ( -1.193 7.394 -1.714) 7.683 7.241 ( 0.288 1.201 1.609) 2.029 7.276 ( 2.392 4.267 0.203) 4.896 7.337 ( 2.672 1.860 2.413) 4.052 7.504 ( -1.597 0.730 -0.306) 1.783 7.686 ( -0.073 1.279 -2.067) 2.432 7.895 ( 4.068 2.387 3.733) 6.015 8.070 ( -2.802 -1.668 -3.809) 5.014 8.883 ( 0.126 -4.581 -3.868) 5.997 9.129 ( -1.112 -4.593 -1.067) 4.845 9.230 ( -0.221 9.834 -1.187) 9.908 9.326 ( 1.388 6.457 0.068) 6.605 9.522 ( -3.477 2.999 -5.074) 6.843 9.661 ( 1.869 -0.532 2.472) 3.145 9.707 ( -5.296 -0.764 -9.725) 11.099 9.823 ( -8.714 12.172 -12.617) 19.578 10.022 ( 2.603 -7.461 3.668) 8.713 10.130 ( -1.660 -2.828 -1.430) 3.578 10.201 ( 1.849 0.810 1.918) 2.784 10.237 ( -4.788 1.308 -5.603) 7.486 10.348 ( 0.080 3.742 0.974) 3.868 10.605 ( -1.130 8.421 -4.096) 9.432 10.631 ( -3.995 4.109 -7.516) 9.452 10.779 ( 9.510 1.503 19.873) 22.083 10.862 ( -4.824 8.153 -5.472) 10.940 10.877 ( -1.101 5.111 -2.565) 5.823 11.116 ( 0.215 3.625 5.033) 6.206 11.566 ( -2.399 -2.670 -4.515) 5.768 11.752 ( 7.418 4.655 15.180) 17.525 12.020 ( 5.812 12.812 21.248) 25.483 13.035 ( 0.654 4.096 -5.869) 7.187 13.193 ( -5.396 5.149 -9.095) 11.762 13.298 ( -2.040 -1.221 0.497) 2.429 13.332 ( -3.063 -1.662 -2.643) 4.374 13.449 ( -0.595 -1.180 0.822) 1.556 13.572 ( 2.816 2.232 2.247) 4.238 14.623 ( -6.452 -12.687 -10.031) 17.413 14.707 ( -16.182 -4.826 -5.155) 17.656 14.799 ( 13.064 -17.643 15.957) 27.140 15.299 ( 18.611 -15.725 27.635) 36.842 15.595 ( -15.620 23.461 -24.895) 37.605 16.074 ( -6.160 -9.609 -7.898) 13.881 16.199 ( 2.082 0.371 3.512) 4.100 16.331 ( 2.496 -6.862 1.284) 7.414 16.448 ( 1.853 -24.624 2.917) 24.865 16.717 ( 4.634 -13.429 7.193) 15.923 16.900 ( -0.686 -28.603 -1.384) 28.645 17.198 ( 3.892 -5.688 5.818) 9.020 17.896 ( -12.479 18.241 -19.873) 29.722 18.466 ( 2.723 18.088 12.648) 22.239 18.680 ( -10.300 10.793 -16.161) 21.995 18.800 ( -9.344 16.050 -11.565) 21.879 18.966 ( 3.422 18.475 6.017) 19.729 19.409 ( 10.679 -4.782 22.491) 25.353 20.179 ( 2.814 2.551 -2.231) 4.405 20.395 ( -2.725 0.633 2.772) 3.938 20.530 ( -1.817 1.126 -1.189) 2.446 20.676 ( -4.170 2.104 5.558) 7.260 21.662 ( 5.107 -6.709 -27.778) 29.029 22.606 ( 10.241 -14.043 15.723) 23.437 ======================= Grid point 60 (28/72) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 3.227 12.975 -3.890) 13.925 1.235 ( 4.235 1.109 5.117) 6.734 1.444 ( -5.540 2.349 -3.339) 6.881 1.470 ( -2.566 0.606 0.445) 2.673 1.511 ( 0.225 -5.452 0.965) 5.541 1.721 ( -4.246 0.417 4.378) 6.113 1.805 ( -2.762 1.537 -1.160) 3.367 1.902 ( 1.725 9.389 0.646) 9.568 1.945 ( -4.583 0.472 3.954) 6.071 1.970 ( -0.265 1.246 -0.055) 1.275 2.106 ( -4.229 3.035 -5.075) 7.270 2.229 ( 1.833 -6.339 -0.643) 6.630 2.335 ( -2.044 -0.476 -4.763) 5.205 2.431 ( 1.456 1.152 -2.928) 3.467 2.501 ( -4.827 -0.569 -2.641) 5.531 2.576 ( -5.505 15.602 -10.366) 19.524 2.731 ( -3.217 15.376 -2.434) 15.897 2.816 ( -3.104 6.103 -0.113) 6.848 2.891 ( 2.315 6.179 2.436) 7.034 3.052 ( -0.100 9.349 -11.065) 14.486 3.193 ( -1.140 1.572 3.119) 3.674 3.310 ( 12.232 -20.864 14.610) 28.256 3.511 ( -1.293 -3.508 -2.714) 4.620 3.721 ( 3.298 -7.287 2.656) 8.428 3.832 ( 0.530 4.743 3.009) 5.642 4.031 ( -5.769 0.556 -12.466) 13.747 4.204 ( 1.236 -4.492 -4.441) 6.436 4.618 ( 1.474 8.046 4.313) 9.247 4.755 ( -0.955 -0.892 4.215) 4.413 4.827 ( -0.515 -1.687 2.740) 3.258 5.011 ( 2.011 -8.257 -0.013) 8.499 5.214 ( 3.015 -2.382 -2.568) 4.621 5.304 ( -1.817 3.189 3.028) 4.758 5.322 ( -3.723 0.285 6.642) 7.620 5.439 ( 3.793 -6.421 2.125) 7.754 5.601 ( 5.298 -7.171 1.998) 9.137 5.890 ( -6.182 2.542 2.736) 7.223 6.033 ( 8.667 2.122 -2.314) 9.218 6.182 ( 5.756 -5.178 4.735) 9.075 6.258 ( -9.730 -2.990 1.242) 10.254 6.372 ( 0.024 -8.862 -1.446) 8.980 6.438 ( -1.734 6.299 -2.637) 7.045 6.530 ( -3.230 -5.724 -0.743) 6.614 6.665 ( 0.278 -5.667 1.747) 5.937 6.839 ( -1.161 7.362 0.643) 7.481 6.935 ( 0.508 4.648 -0.788) 4.741 6.946 ( 1.898 5.669 1.263) 6.110 7.037 ( 1.477 1.438 2.550) 3.279 7.132 ( -1.376 11.710 -2.731) 12.102 7.264 ( 1.524 -0.553 1.878) 2.480 7.337 ( 2.676 0.650 3.287) 4.288 7.403 ( 1.343 -0.283 1.134) 1.781 7.546 ( 6.317 -1.376 4.599) 7.933 7.640 ( -4.096 6.300 -7.271) 10.456 7.818 ( -3.232 -1.116 1.199) 3.623 8.121 ( 0.934 -0.740 -1.872) 2.219 8.859 ( -2.155 -3.446 -3.284) 5.225 9.104 ( -0.153 -3.579 -0.398) 3.604 9.223 ( -0.456 10.042 -1.038) 10.105 9.344 ( 0.224 -0.092 -0.690) 0.731 9.439 ( -4.400 7.252 -6.474) 10.671 9.582 ( -6.187 -2.161 -10.007) 11.962 9.648 ( -1.729 22.328 -5.243) 23.001 9.771 ( 1.973 7.644 2.750) 8.360 10.029 ( -6.181 -0.412 -11.623) 13.171 10.092 ( -1.968 0.923 -3.912) 4.475 10.110 ( -1.747 -3.380 -2.350) 4.472 10.244 ( 1.513 1.915 0.045) 2.441 10.349 ( 0.104 4.671 -0.365) 4.687 10.465 ( -1.653 6.674 -5.267) 8.661 10.635 ( -0.881 -1.120 -4.155) 4.393 10.789 ( -1.816 8.577 -4.229) 9.733 10.866 ( -0.714 6.812 0.564) 6.872 11.151 ( 17.437 -9.345 26.194) 32.826 11.165 ( 7.486 -2.993 15.801) 17.739 11.526 ( -1.811 -2.887 -5.250) 6.259 11.855 ( 2.472 -3.573 3.006) 5.283 12.273 ( 17.007 26.176 30.309) 43.510 12.966 ( -8.774 -8.774 -15.771) 20.067 13.093 ( -4.894 5.787 -7.740) 10.833 13.236 ( -1.551 -3.802 -7.437) 8.495 13.250 ( -3.594 5.495 3.507) 7.444 13.408 ( -2.988 -0.577 0.978) 3.196 13.612 ( 0.394 0.973 -1.306) 1.676 14.366 ( -13.664 -3.158 -2.611) 14.265 14.669 ( 6.096 -2.282 3.305) 7.300 15.060 ( 11.687 -21.472 13.202) 27.784 15.308 ( -11.397 23.206 -16.969) 30.925 15.667 ( 13.910 -12.029 21.619) 28.382 15.865 ( -8.934 1.191 -12.036) 15.037 16.095 ( -6.550 -34.449 -6.265) 35.621 16.461 ( 3.761 -22.229 2.855) 22.725 16.553 ( 6.270 6.939 6.234) 11.239 16.793 ( 2.469 -17.286 4.173) 17.953 16.889 ( -0.296 -26.704 -0.653) 26.713 17.294 ( 4.976 -4.061 6.886) 9.417 17.648 ( -10.955 18.931 -20.448) 29.942 18.426 ( -7.040 13.315 -9.100) 17.597 18.560 ( -3.591 22.694 -3.616) 23.259 18.652 ( -1.692 18.544 0.800) 18.638 19.035 ( 3.110 14.968 2.818) 15.545 19.618 ( 8.358 -5.997 16.893) 19.779 20.232 ( 2.274 2.190 -2.450) 3.997 20.345 ( -1.923 0.896 2.804) 3.516 20.549 ( 3.365 1.388 -1.266) 3.854 20.595 ( -3.032 2.716 2.866) 4.978 21.673 ( -2.620 -5.046 -21.819) 22.547 22.768 ( 5.247 -17.923 14.663) 23.743 ======================= Grid point 61 (29/72) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 4.000 18.415 -1.999) 18.950 1.177 ( -11.581 11.142 0.703) 16.086 1.311 ( -8.714 2.083 4.411) 9.987 1.430 ( -1.803 -1.241 10.176) 10.409 1.522 ( 2.663 0.197 -0.988) 2.847 1.632 ( -1.598 3.195 0.764) 3.653 1.695 ( -7.731 2.760 -2.547) 8.595 1.870 ( -2.255 2.953 -3.285) 4.959 1.928 ( 1.207 2.375 1.046) 2.862 2.030 ( 4.953 13.958 1.871) 14.928 2.059 ( -1.830 6.022 1.174) 6.402 2.246 ( -1.066 -3.246 -1.552) 3.753 2.287 ( -1.865 1.737 -1.357) 2.887 2.405 ( -0.813 6.384 1.026) 6.517 2.484 ( 2.082 -0.361 -3.539) 4.122 2.516 ( 0.781 1.834 -4.721) 5.125 2.652 ( -3.668 14.876 -2.855) 15.585 2.756 ( -1.949 1.486 -1.867) 3.081 2.886 ( -3.105 7.903 -0.050) 8.491 3.054 ( -2.690 2.213 -9.667) 10.275 3.123 ( -1.079 1.267 1.063) 1.975 3.525 ( 5.465 -16.716 7.947) 19.299 3.554 ( 4.970 -7.032 6.063) 10.532 3.766 ( -0.481 -10.205 -1.508) 10.327 3.824 ( -0.469 5.031 -1.704) 5.333 3.958 ( -0.918 -1.956 -5.506) 5.915 4.240 ( 3.049 -2.582 -4.875) 6.303 4.603 ( 0.522 -0.584 2.712) 2.823 4.773 ( -3.508 -1.208 1.413) 3.970 4.794 ( -0.353 5.752 1.345) 5.918 4.962 ( -5.109 -4.199 -1.186) 6.718 5.217 ( -0.831 -3.858 0.717) 4.011 5.294 ( 2.823 0.140 0.614) 2.893 5.313 ( -1.971 1.840 3.326) 4.282 5.505 ( 3.622 -7.526 3.989) 9.256 5.657 ( -3.444 2.349 3.605) 5.511 5.830 ( 1.962 -10.463 -1.283) 10.723 5.994 ( -7.050 -13.851 2.934) 15.817 6.178 ( -2.082 -1.744 -6.564) 7.104 6.317 ( 1.850 -0.350 0.618) 1.981 6.365 ( 4.194 1.986 4.078) 6.178 6.468 ( -2.459 -2.361 -3.660) 5.002 6.478 ( 2.318 -0.005 7.706) 8.047 6.696 ( 4.072 -2.111 1.972) 4.993 6.798 ( -2.766 6.450 -0.930) 7.080 6.945 ( 0.489 4.356 -1.093) 4.517 6.960 ( 0.514 7.396 -0.640) 7.442 7.060 ( 1.223 3.367 3.566) 5.055 7.124 ( 0.644 10.863 -0.842) 10.915 7.290 ( 0.451 2.534 0.196) 2.581 7.369 ( 0.804 -2.344 3.298) 4.125 7.410 ( -0.329 -1.374 -1.415) 2.000 7.465 ( -4.836 2.649 -5.171) 7.559 7.771 ( 1.865 -3.183 4.200) 5.590 7.869 ( 11.554 1.262 2.647) 11.920 8.028 ( -7.894 -0.082 -4.602) 9.138 8.793 ( -4.769 -1.359 -1.840) 5.289 9.148 ( 3.632 -2.452 1.723) 4.708 9.210 ( -0.717 10.167 -0.918) 10.234 9.326 ( -0.770 4.770 -3.501) 5.967 9.381 ( -0.755 10.827 -1.775) 10.998 9.462 ( -4.787 -0.635 -5.942) 7.657 9.668 ( 4.321 21.458 1.524) 21.942 9.806 ( 0.469 4.059 0.925) 4.189 9.870 ( -5.552 10.833 -19.176) 22.713 10.074 ( -0.247 -4.928 -0.884) 5.013 10.120 ( 1.323 -0.806 1.885) 2.440 10.256 ( 0.176 2.101 -1.575) 2.632 10.366 ( 1.745 6.449 -0.760) 6.724 10.487 ( 2.712 3.985 0.427) 4.839 10.610 ( -1.453 -1.258 -4.119) 4.545 10.766 ( -0.303 9.351 -1.951) 9.557 10.842 ( -1.623 6.575 -0.001) 6.773 11.265 ( 5.948 -0.176 7.081) 9.249 11.478 ( -2.934 -2.636 -5.802) 7.015 11.599 ( 19.856 -14.765 27.219) 36.785 11.888 ( 1.233 -4.500 1.319) 4.849 12.609 ( 12.608 25.325 17.375) 33.200 12.712 ( -13.067 -22.409 -18.128) 31.647 12.992 ( -3.795 4.757 -3.641) 7.092 13.185 ( -2.984 7.480 4.349) 9.153 13.268 ( 2.657 3.386 -4.187) 6.005 13.352 ( -1.880 0.896 0.774) 2.222 13.597 ( -0.702 2.464 -3.064) 3.994 14.155 ( -6.427 0.453 0.603) 6.471 14.791 ( 2.398 1.310 5.821) 6.430 15.142 ( -3.084 21.856 -0.072) 22.072 15.256 ( 5.867 -23.992 4.167) 25.048 15.551 ( -10.425 6.256 -14.713) 19.087 15.980 ( -3.893 -33.342 -3.422) 33.743 16.080 ( 16.186 -9.755 24.301) 30.784 16.523 ( 2.276 -26.456 0.750) 26.564 16.565 ( -5.567 -0.522 -10.146) 11.585 16.828 ( 1.333 -22.769 1.983) 22.895 16.876 ( -1.222 -19.570 -1.674) 19.680 17.377 ( 1.543 -13.676 1.831) 13.884 17.492 ( -1.576 30.671 -10.851) 32.572 18.325 ( -1.991 19.858 -3.107) 20.198 18.449 ( -4.220 24.898 -5.224) 25.788 18.699 ( 2.842 19.951 6.436) 21.155 19.089 ( 2.173 13.489 0.229) 13.665 19.714 ( -0.034 -5.975 11.729) 13.163 20.235 ( -2.367 3.056 2.318) 4.507 20.348 ( 2.322 1.860 -1.770) 3.461 20.582 ( 2.719 1.218 -1.716) 3.438 20.685 ( 10.234 0.116 -0.112) 10.235 21.556 ( -8.033 -4.069 -17.087) 19.314 22.814 ( -2.047 -26.751 12.119) 29.439 ======================= Grid point 62 (30/72) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -10.858 23.001 4.342) 25.803 0.938 ( -14.515 10.860 13.431) 22.561 1.196 ( 0.291 14.699 6.343) 16.012 1.360 ( -3.515 6.468 5.270) 9.053 1.546 ( -2.108 1.932 -0.846) 2.982 1.607 ( 0.307 5.280 -2.617) 5.902 1.669 ( 3.766 5.520 3.432) 7.512 1.829 ( -0.771 1.736 -0.650) 2.007 1.971 ( 1.780 3.895 1.425) 4.513 2.047 ( 2.779 10.355 1.251) 10.794 2.134 ( 2.336 11.048 -0.633) 11.309 2.222 ( 0.385 -1.117 -1.987) 2.311 2.304 ( 2.229 -1.149 0.859) 2.651 2.363 ( -3.572 0.490 -2.148) 4.197 2.496 ( -1.162 -0.681 -1.470) 1.994 2.560 ( -0.052 2.040 2.483) 3.214 2.621 ( 1.153 20.101 1.160) 20.167 2.781 ( 4.792 0.128 0.571) 4.827 2.811 ( -1.991 -0.947 -5.880) 6.280 2.946 ( -5.054 2.895 1.732) 6.077 3.183 ( 4.934 1.056 -1.732) 5.334 3.542 ( -5.199 -9.098 -4.716) 11.490 3.565 ( -2.156 -13.497 -2.675) 13.927 3.756 ( -0.181 -2.252 -1.386) 2.650 3.839 ( 2.082 -7.324 0.550) 7.634 3.972 ( 2.082 1.319 -1.207) 2.744 4.308 ( 3.067 -8.385 1.706) 9.090 4.644 ( -3.575 -0.560 -4.154) 5.509 4.699 ( 6.520 2.253 0.957) 6.964 4.783 ( -1.519 7.300 1.501) 7.606 4.884 ( -3.198 1.695 3.405) 4.969 5.172 ( -10.400 -3.425 -3.526) 11.503 5.223 ( 1.127 -8.310 -0.224) 8.389 5.376 ( 1.653 -2.387 0.715) 2.990 5.478 ( -6.448 2.946 3.868) 8.076 5.613 ( 0.060 -13.636 2.066) 13.791 5.862 ( -5.887 -13.397 2.950) 14.928 5.896 ( 2.682 -6.923 -3.766) 8.324 6.102 ( -3.240 2.759 -5.468) 6.929 6.334 ( 0.932 -1.603 3.223) 3.719 6.404 ( -2.054 0.804 -3.253) 3.930 6.446 ( 2.672 2.764 1.776) 4.235 6.516 ( -0.331 -1.532 5.034) 5.272 6.720 ( -1.160 3.224 2.468) 4.223 6.813 ( 1.733 3.159 -2.126) 4.183 6.918 ( -1.295 4.652 -1.292) 4.999 6.995 ( 0.894 5.693 -1.145) 5.876 7.093 ( 1.830 2.493 2.240) 3.819 7.161 ( 1.189 6.905 2.016) 7.291 7.278 ( -1.139 3.158 -0.214) 3.364 7.380 ( -1.151 -1.698 -2.688) 3.381 7.402 ( 1.885 -1.503 1.564) 2.874 7.442 ( 2.642 1.365 1.851) 3.503 7.719 ( -5.147 -2.927 -2.449) 6.408 7.866 ( -4.365 3.038 -2.189) 5.751 8.126 ( 8.122 -1.574 3.103) 8.835 8.678 ( -4.691 -0.659 -1.027) 4.847 9.191 ( 0.248 -3.360 -2.151) 3.997 9.199 ( -0.241 9.679 -0.375) 9.689 9.340 ( -0.056 10.811 -2.123) 11.017 9.389 ( 1.478 9.460 0.522) 9.589 9.428 ( 2.382 0.376 3.498) 4.249 9.719 ( -1.910 7.112 -3.172) 8.019 9.806 ( -0.263 4.183 -0.060) 4.192 9.929 ( 11.443 5.755 3.107) 13.180 10.083 ( 1.024 -4.859 1.135) 5.094 10.158 ( 2.409 3.147 0.476) 3.992 10.259 ( 0.084 1.670 -0.916) 1.907 10.491 ( 9.331 22.321 -9.437) 25.968 10.536 ( 8.553 6.686 3.046) 11.275 10.599 ( 2.518 2.407 -0.990) 3.621 10.770 ( -0.448 8.559 1.120) 8.644 10.820 ( 1.113 6.891 -0.774) 7.023 11.386 ( 1.756 -0.204 0.927) 1.995 11.401 ( -0.897 -2.942 -1.372) 3.368 11.790 ( -5.282 -10.137 -8.634) 14.325 11.905 ( -0.045 -5.219 0.267) 5.226 12.616 ( 8.011 -25.367 10.905) 28.750 12.705 ( -4.170 21.961 -6.540) 23.290 12.950 ( -0.172 2.087 2.782) 3.482 13.137 ( -1.670 9.755 3.552) 10.515 13.272 ( -0.536 2.412 0.076) 2.472 13.367 ( 1.617 4.081 -2.473) 5.039 13.596 ( 0.147 -1.588 -3.733) 4.060 14.153 ( 5.876 6.414 11.551) 14.460 14.705 ( -9.067 4.090 6.288) 11.767 15.097 ( -3.652 18.822 -4.011) 19.588 15.327 ( 3.411 -16.049 -9.063) 18.744 15.508 ( 7.704 6.823 11.203) 15.212 15.959 ( 1.254 -29.621 2.904) 29.789 16.233 ( -12.179 -14.648 -15.984) 24.868 16.434 ( 4.741 -2.767 2.474) 6.022 16.595 ( 4.588 -24.187 1.291) 24.652 16.834 ( -1.461 -25.548 -2.353) 25.698 16.865 ( 0.959 -16.950 1.334) 17.030 17.382 ( 0.115 -15.914 -0.112) 15.915 17.604 ( 14.891 38.906 -5.519) 42.023 18.324 ( 1.236 22.319 -0.873) 22.371 18.455 ( 5.972 27.488 7.780) 29.185 18.725 ( -0.870 19.679 1.646) 19.767 19.120 ( 0.862 14.535 -1.535) 14.641 19.643 ( -6.022 -4.568 3.262) 8.232 20.170 ( -3.500 3.281 3.992) 6.241 20.405 ( 2.958 2.993 -3.398) 5.409 20.662 ( 4.364 -0.380 -1.021) 4.498 20.981 ( 18.312 -2.777 2.526) 18.693 21.345 ( -12.310 -3.701 -13.125) 18.371 22.596 ( -24.763 -42.040 8.547) 49.534 ======================= Grid point 63 (31/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.869 16.468 8.993) 18.783 1.304 ( -1.011 18.236 1.639) 18.337 1.381 ( 1.065 5.892 1.719) 6.229 1.571 ( 1.128 4.029 -3.071) 5.190 1.614 ( 0.743 5.701 -1.531) 5.950 1.753 ( -0.354 0.075 2.802) 2.825 1.843 ( 2.853 5.808 -0.352) 6.481 1.879 ( 1.107 5.450 -1.115) 5.672 2.068 ( -2.241 3.876 2.893) 5.330 2.105 ( -1.774 0.227 -0.389) 1.830 2.140 ( -1.912 0.643 2.699) 3.370 2.217 ( -0.739 -3.984 -3.107) 5.106 2.370 ( 1.878 1.418 1.370) 2.723 2.405 ( -0.394 -3.167 1.273) 3.436 2.455 ( -0.188 0.532 -3.459) 3.505 2.493 ( -4.108 -0.661 1.288) 4.355 2.705 ( 2.601 -5.632 -1.323) 6.343 2.798 ( 0.128 -4.108 1.131) 4.263 2.918 ( -9.191 -16.604 -11.591) 22.238 2.988 ( -3.006 11.229 -3.706) 12.201 3.352 ( 5.162 15.637 6.363) 17.654 3.412 ( 4.271 0.604 5.343) 6.867 3.441 ( 5.452 4.134 7.081) 9.846 3.740 ( 6.118 1.080 1.568) 6.407 4.014 ( -0.275 14.387 -2.266) 14.567 4.045 ( 1.493 7.857 2.671) 8.432 4.167 ( 0.224 -4.553 0.517) 4.588 4.571 ( 1.987 -10.766 1.173) 11.011 4.673 ( -1.747 -4.563 -3.458) 5.986 4.790 ( -3.171 -7.163 -4.815) 9.195 4.905 ( -1.352 -1.466 -6.492) 6.791 4.998 ( 0.364 4.139 0.173) 4.159 5.096 ( -1.398 -8.480 -3.289) 9.203 5.155 ( -0.761 -1.060 0.123) 1.311 5.338 ( -3.288 -3.229 1.781) 4.941 5.591 ( 0.207 8.627 2.062) 8.873 5.619 ( -2.179 -8.216 1.598) 8.649 5.961 ( 3.073 2.824 -0.995) 4.291 6.133 ( -5.693 -2.524 0.611) 6.257 6.232 ( 2.701 2.284 3.131) 4.724 6.402 ( 2.226 -1.413 -2.096) 3.368 6.514 ( -3.726 4.414 0.465) 5.795 6.687 ( 1.747 9.342 -0.989) 9.555 6.763 ( 1.168 -0.342 3.589) 3.790 6.850 ( 4.296 -1.370 0.666) 4.559 6.940 ( -1.608 -0.898 -1.331) 2.272 7.024 ( -0.751 -1.505 -1.239) 2.089 7.087 ( -5.474 2.496 -0.604) 6.046 7.239 ( 0.275 -2.077 -0.243) 2.110 7.299 ( -2.775 2.143 -1.111) 3.678 7.391 ( 1.071 2.416 1.484) 3.030 7.432 ( 0.487 2.309 0.431) 2.399 7.561 ( -0.436 4.539 -0.040) 4.560 7.702 ( 6.999 1.594 4.318) 8.377 7.900 ( -1.794 4.602 -1.660) 5.210 8.118 ( -3.607 -0.861 -2.643) 4.554 8.650 ( 1.787 1.681 0.024) 2.453 9.121 ( -1.800 -1.704 -3.206) 4.052 9.196 ( 1.036 -7.132 0.701) 7.241 9.297 ( -3.333 -2.129 -4.359) 5.886 9.517 ( 4.102 -0.966 5.566) 6.981 9.613 ( -4.880 6.483 -6.110) 10.158 9.771 ( -1.144 -4.518 -1.769) 4.985 9.868 ( -2.078 -4.813 -2.111) 5.652 9.997 ( 0.150 -2.699 0.589) 2.767 10.095 ( -1.895 -5.399 -1.566) 5.932 10.227 ( 4.627 8.779 5.426) 11.310 10.415 ( 7.425 19.872 11.075) 23.931 10.545 ( -2.697 3.843 -2.177) 5.175 10.638 ( 2.079 1.439 1.282) 2.835 10.865 ( 0.136 6.725 1.183) 6.830 10.985 ( -1.681 2.035 -3.999) 4.791 11.283 ( -3.229 3.632 -6.101) 7.800 11.314 ( 2.862 9.080 0.205) 9.523 11.498 ( -7.951 12.548 -7.268) 16.538 11.680 ( 1.569 -3.195 -0.782) 3.644 11.871 ( 6.586 10.845 0.313) 12.692 12.546 ( 21.048 -13.427 27.611) 37.225 12.868 ( -14.344 13.690 -18.727) 27.273 13.010 ( 0.726 3.216 0.982) 3.440 13.300 ( -2.252 2.138 -2.748) 4.147 13.340 ( -1.495 0.087 -3.965) 4.239 13.511 ( 2.290 15.027 4.177) 15.764 13.555 ( 3.988 -1.281 2.051) 4.664 14.298 ( -5.753 1.869 6.483) 8.867 14.710 ( -1.853 7.384 -1.474) 7.754 15.143 ( 4.748 -37.975 0.704) 38.277 15.237 ( 2.050 -17.765 -6.293) 18.958 15.421 ( -15.359 -6.335 -22.548) 28.007 15.567 ( -6.882 -10.371 -11.327) 16.829 15.776 ( 4.995 -2.230 8.244) 9.893 16.117 ( 5.630 -10.040 7.666) 13.830 16.268 ( 9.703 -12.075 13.263) 20.393 16.457 ( -6.158 -19.532 -8.036) 22.000 16.682 ( 9.897 -4.376 6.118) 12.431 17.119 ( 4.138 -12.413 5.674) 14.262 18.440 ( 9.509 11.369 -0.566) 14.832 18.762 ( -2.382 18.340 -7.974) 20.140 18.967 ( -8.264 10.044 -8.732) 15.666 19.200 ( 0.129 -1.508 -6.163) 6.346 19.445 ( 12.356 18.482 -1.029) 22.256 19.634 ( 7.192 10.316 -0.019) 12.576 20.218 ( 0.289 5.525 1.108) 5.642 20.561 ( 1.809 6.586 -2.179) 7.169 20.611 ( -10.602 -6.169 6.315) 13.796 20.951 ( -11.987 -3.429 -2.772) 12.772 21.131 ( -7.525 -4.413 5.595) 10.364 21.398 ( 2.448 -14.874 13.332) 20.124 ======================= Grid point 64 (32/72) ======================= q-point: ( 0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 5.442 13.698 7.937) 16.741 1.340 ( 3.713 10.490 5.092) 12.238 1.421 ( 1.660 7.254 1.476) 7.586 1.567 ( -2.708 4.148 -1.519) 5.181 1.642 ( 3.225 1.883 -1.911) 4.195 1.719 ( -2.783 -0.823 2.199) 3.641 1.837 ( -4.521 3.917 -1.758) 6.235 1.891 ( 0.838 0.640 2.011) 2.271 2.009 ( -2.748 0.420 1.378) 3.103 2.055 ( -1.617 1.088 -2.340) 3.046 2.113 ( -1.566 -0.577 1.729) 2.403 2.177 ( -2.777 -2.292 -1.021) 3.742 2.361 ( -1.297 -6.429 3.744) 7.551 2.385 ( -0.515 -4.416 -0.902) 4.536 2.459 ( 1.233 -3.486 3.489) 5.084 2.576 ( 7.630 2.678 -2.963) 8.613 2.678 ( -7.080 -15.714 -10.538) 20.202 2.735 ( 1.409 0.974 -0.621) 1.822 2.913 ( 0.307 7.565 -2.600) 8.005 2.953 ( 4.493 0.176 -2.040) 4.938 3.395 ( -1.202 5.130 0.306) 5.278 3.496 ( 5.536 10.217 10.348) 15.560 3.533 ( 2.648 10.793 1.373) 11.198 3.866 ( -1.032 19.242 -5.467) 20.030 4.013 ( 7.568 -7.900 3.880) 11.608 4.146 ( 6.647 14.001 14.089) 20.945 4.193 ( 1.920 -4.542 -1.323) 5.105 4.467 ( -7.848 -5.312 -3.112) 9.974 4.696 ( -2.622 -2.160 -9.659) 10.239 4.749 ( 1.040 3.184 -5.933) 6.813 4.860 ( -2.868 -4.619 -3.912) 6.698 4.956 ( -2.126 -12.428 -3.394) 13.057 5.129 ( 7.319 -2.314 5.447) 9.412 5.248 ( -4.051 0.333 0.385) 4.083 5.304 ( 9.435 -1.129 -1.800) 9.671 5.563 ( -3.798 -7.959 -1.666) 8.974 5.603 ( 1.195 5.948 2.548) 6.580 5.943 ( -3.667 1.295 3.670) 5.347 6.085 ( 0.894 -2.863 1.662) 3.429 6.287 ( 2.269 1.882 3.764) 4.781 6.385 ( -3.573 0.361 -6.505) 7.431 6.491 ( 1.318 -1.508 1.764) 2.669 6.665 ( -1.471 3.286 2.691) 4.495 6.773 ( -4.391 4.966 -1.290) 6.754 6.909 ( -0.458 -2.410 -2.671) 3.627 6.961 ( 3.278 0.917 -0.511) 3.443 6.992 ( -0.652 1.495 2.116) 2.672 7.051 ( 3.500 -0.221 2.781) 4.476 7.237 ( -0.480 2.312 0.081) 2.363 7.256 ( -1.480 -1.268 -2.631) 3.274 7.397 ( -0.444 5.538 0.734) 5.604 7.434 ( 0.155 0.302 0.516) 0.617 7.588 ( 2.647 5.840 1.118) 6.509 7.727 ( -5.582 2.322 -1.834) 6.318 7.958 ( 6.458 0.180 1.441) 6.619 8.008 ( -4.464 5.248 -2.188) 7.229 8.723 ( 4.346 -1.126 1.289) 4.671 9.061 ( -3.677 -2.512 -4.487) 6.322 9.231 ( 2.214 -7.501 1.236) 7.918 9.258 ( -0.339 -4.798 -0.325) 4.821 9.526 ( -1.520 0.849 -1.374) 2.218 9.638 ( 4.132 -4.441 5.927) 8.481 9.724 ( -2.531 -1.253 -3.999) 4.895 9.813 ( -3.004 -8.863 -3.171) 9.881 9.991 ( -0.429 -3.209 -0.632) 3.298 10.062 ( -1.198 -4.996 -0.889) 5.214 10.295 ( 2.672 4.387 3.610) 6.278 10.439 ( -4.607 6.141 -3.864) 8.595 10.567 ( 4.381 18.166 7.014) 19.960 10.693 ( 2.721 -0.013 3.072) 4.104 10.851 ( -1.813 9.475 -0.692) 9.672 10.874 ( -8.254 4.989 -7.992) 12.526 11.212 ( -0.698 19.934 -3.245) 20.208 11.326 ( 0.232 24.108 3.334) 24.338 11.486 ( 2.038 -0.655 3.052) 3.727 11.660 ( -2.224 -5.532 1.283) 6.099 11.991 ( 4.627 7.382 9.839) 13.142 12.395 ( -25.428 19.949 -31.803) 45.343 12.976 ( 14.009 -8.301 19.911) 25.721 13.069 ( 5.779 -0.857 5.993) 8.370 13.251 ( -2.006 -0.436 -4.357) 4.816 13.330 ( -0.464 3.996 -2.748) 4.872 13.552 ( 1.782 12.475 4.594) 13.413 13.651 ( 4.335 1.386 3.017) 5.461 14.215 ( -1.081 -5.545 7.326) 9.252 14.682 ( -0.032 6.466 -3.594) 7.398 14.903 ( -22.020 -21.131 -25.923) 40.043 15.196 ( -9.335 -12.480 -5.048) 16.382 15.258 ( 2.931 -36.421 3.266) 36.685 15.545 ( -1.194 -31.580 -3.167) 31.761 15.956 ( 11.619 0.582 15.195) 19.137 16.228 ( 6.018 -7.355 8.432) 12.705 16.310 ( -5.899 -25.741 -8.259) 27.670 16.513 ( 10.384 7.358 14.119) 19.008 16.742 ( -3.537 6.004 -5.806) 9.070 17.151 ( -1.200 -3.825 -1.935) 4.451 18.548 ( -1.422 4.885 -0.766) 5.145 18.713 ( -3.635 12.248 -3.115) 13.150 18.841 ( 0.808 4.154 2.208) 4.773 19.122 ( -5.958 -3.754 -11.691) 13.648 19.496 ( -3.037 19.779 -1.482) 20.065 19.691 ( -10.260 11.542 13.496) 20.509 20.212 ( -3.937 4.972 2.372) 6.772 20.474 ( 5.337 -2.607 -3.246) 6.769 20.589 ( 4.629 3.755 -6.247) 8.634 20.833 ( -8.196 -3.413 -2.086) 9.120 21.029 ( 8.807 3.477 -2.415) 9.771 21.699 ( 17.297 -15.130 11.342) 25.627 ======================= Grid point 65 (33/72) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 1.367 4.939 5.190) 7.294 1.375 ( -6.789 10.775 -1.091) 12.782 1.406 ( 1.199 5.191 3.888) 6.595 1.494 ( -3.030 -0.099 1.840) 3.546 1.627 ( -3.973 -3.189 3.249) 6.042 1.716 ( 0.525 -3.453 0.326) 3.507 1.776 ( 2.149 2.321 -1.222) 3.391 1.930 ( 1.260 -2.145 3.080) 3.959 1.970 ( -0.544 -0.402 -1.118) 1.307 2.029 ( -0.492 -2.175 -3.595) 4.230 2.082 ( -1.549 -0.463 2.292) 2.805 2.139 ( -0.195 -0.917 0.503) 1.063 2.330 ( -1.330 -11.884 4.133) 12.652 2.380 ( -0.281 -8.131 -1.973) 8.372 2.499 ( 1.634 -4.238 2.024) 4.972 2.570 ( -2.315 -7.990 -1.447) 8.444 2.730 ( 7.058 2.976 -3.265) 8.327 2.821 ( 5.018 4.172 0.101) 6.527 2.906 ( 1.376 8.061 -2.431) 8.532 3.079 ( 5.768 0.195 -0.423) 5.787 3.367 ( -1.236 8.456 -1.975) 8.771 3.512 ( -2.072 -2.680 -1.556) 3.728 3.641 ( 5.713 28.703 9.342) 30.721 3.778 ( -4.807 14.542 -8.203) 17.374 4.097 ( -1.334 -1.174 -2.375) 2.966 4.195 ( -2.711 1.391 -4.761) 5.653 4.312 ( -8.524 4.564 -16.711) 19.307 4.390 ( 14.974 8.282 20.997) 27.086 4.597 ( -1.039 -3.887 -3.421) 5.281 4.798 ( 1.400 0.888 -3.747) 4.097 4.885 ( 6.596 -6.889 -1.569) 9.666 4.892 ( -3.417 -11.473 1.299) 12.042 5.162 ( -3.483 1.268 0.306) 3.720 5.354 ( 10.215 -3.939 2.011) 11.132 5.409 ( -0.744 -5.994 3.422) 6.942 5.502 ( -0.792 -2.398 -1.900) 3.160 5.689 ( 8.509 2.814 2.481) 9.300 5.871 ( -3.231 -1.477 1.685) 3.932 6.114 ( 1.258 -1.248 3.313) 3.757 6.294 ( -3.582 -0.004 -7.187) 8.030 6.360 ( 3.975 -0.583 4.924) 6.355 6.499 ( -0.798 -4.352 2.660) 5.163 6.594 ( -7.310 -2.959 1.616) 8.050 6.676 ( -2.396 5.253 -0.470) 5.793 6.909 ( 0.040 -0.999 -0.573) 1.152 6.971 ( 0.293 1.243 -2.210) 2.552 7.026 ( 0.910 0.761 1.659) 2.040 7.118 ( 1.271 3.952 5.117) 6.589 7.205 ( -2.438 1.757 -4.280) 5.229 7.265 ( 2.426 1.415 1.946) 3.417 7.384 ( -0.340 5.908 -0.615) 5.950 7.434 ( -0.613 1.714 0.085) 1.822 7.576 ( -5.642 2.319 -0.741) 6.144 7.672 ( 3.800 5.014 -2.202) 6.666 7.931 ( -0.588 6.570 0.487) 6.614 8.087 ( 2.751 -0.969 -0.792) 3.022 8.785 ( 1.361 -1.977 -2.913) 3.774 9.021 ( 0.719 -4.655 1.389) 4.911 9.257 ( 0.343 -7.170 -0.825) 7.225 9.274 ( 0.922 -5.409 0.226) 5.492 9.521 ( 0.994 -3.381 2.197) 4.153 9.587 ( -5.022 -3.914 -4.607) 7.859 9.757 ( -1.226 -6.281 -2.480) 6.863 9.788 ( 4.024 -5.819 5.291) 8.835 9.990 ( 0.338 -3.051 0.443) 3.102 10.043 ( -0.566 -4.459 0.245) 4.502 10.318 ( -2.236 4.998 -1.220) 5.610 10.381 ( 1.086 2.793 1.874) 3.534 10.622 ( 1.061 15.968 1.458) 16.069 10.683 ( -5.109 15.351 -3.673) 16.591 10.771 ( -0.860 -1.974 -0.118) 2.156 10.813 ( -0.110 8.414 2.828) 8.877 11.233 ( 1.128 21.245 -1.825) 21.353 11.319 ( -1.378 30.548 1.588) 30.621 11.495 ( -1.673 0.714 -1.475) 2.341 11.650 ( 1.382 -2.508 5.956) 6.609 11.835 ( -25.645 21.571 -34.084) 47.799 12.118 ( 8.144 9.906 22.796) 26.156 13.132 ( 5.262 2.473 2.612) 6.374 13.169 ( -4.857 -3.705 -7.871) 9.963 13.273 ( 6.213 -4.788 5.973) 9.860 13.325 ( 1.164 1.214 1.532) 2.275 13.577 ( 0.072 10.278 2.452) 10.567 13.683 ( -1.673 4.569 -3.960) 6.273 14.266 ( 5.604 -11.779 8.651) 15.652 14.526 ( -10.701 -13.875 -14.357) 22.653 14.779 ( 8.251 -2.654 10.496) 13.612 14.923 ( -16.219 -8.889 -0.127) 18.496 15.320 ( 2.867 -38.313 4.383) 38.669 15.480 ( -4.572 -39.904 -3.004) 40.278 16.167 ( 7.412 -22.262 10.048) 25.524 16.179 ( -5.508 -25.389 -8.171) 27.234 16.416 ( 10.772 12.558 12.353) 20.648 16.558 ( -9.593 13.499 -13.123) 21.130 16.673 ( 0.496 12.050 0.410) 12.067 17.116 ( -0.514 0.099 -0.861) 1.007 18.412 ( -9.446 8.830 -13.060) 18.378 18.665 ( 0.870 7.227 8.522) 11.207 18.938 ( -1.943 1.253 -5.017) 5.524 19.019 ( 3.730 -3.841 4.746) 7.154 19.394 ( -6.442 20.314 -3.085) 21.533 19.489 ( -6.962 17.368 14.274) 23.535 20.211 ( 1.934 5.236 -0.969) 5.665 20.463 ( -3.044 0.069 2.366) 3.856 20.626 ( -4.395 0.522 -3.092) 5.399 20.747 ( 0.693 -0.189 -1.536) 1.696 21.317 ( 14.954 -3.198 -17.450) 23.202 22.020 ( 13.621 -17.968 12.302) 25.684 ======================= Grid point 66 (34/72) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -0.185 -1.240 2.703) 2.980 1.213 ( -6.493 9.696 -0.556) 11.683 1.405 ( -0.480 -1.072 3.877) 4.051 1.475 ( 0.220 -1.208 0.425) 1.299 1.562 ( -3.148 -2.924 3.062) 5.276 1.729 ( 0.840 -2.050 3.860) 4.450 1.835 ( 1.730 1.096 -1.870) 2.774 1.934 ( 0.778 -1.862 2.924) 3.552 1.971 ( 0.407 2.695 -0.501) 2.772 2.044 ( 1.656 -4.144 -2.025) 4.900 2.050 ( -1.574 0.703 1.785) 2.482 2.148 ( -0.527 -3.390 0.543) 3.473 2.317 ( -0.685 -6.202 1.527) 6.424 2.379 ( 0.545 -6.256 0.331) 6.289 2.490 ( -1.688 -3.883 -3.061) 5.224 2.625 ( 6.919 -13.336 10.966) 18.601 2.825 ( 2.357 2.302 -5.608) 6.504 2.892 ( 2.362 5.263 0.517) 5.791 2.954 ( 1.492 5.755 0.015) 5.945 3.163 ( 2.205 2.054 1.164) 3.231 3.346 ( -0.713 11.874 -1.934) 12.052 3.471 ( -1.048 -2.116 -4.847) 5.392 3.661 ( -3.937 19.874 -5.112) 20.895 3.743 ( -0.554 24.935 -0.165) 24.941 3.984 ( -10.714 5.904 -14.125) 18.686 4.054 ( -1.791 0.724 -5.068) 5.423 4.237 ( -1.132 2.246 -9.168) 9.507 4.620 ( 3.739 -5.934 1.509) 7.174 4.684 ( 8.970 1.998 13.778) 16.561 4.795 ( -4.392 -12.660 -2.422) 13.618 4.814 ( -0.349 2.249 0.343) 2.302 5.100 ( 9.652 -4.825 2.891) 11.171 5.126 ( 4.074 -0.241 1.484) 4.342 5.352 ( -1.875 -2.063 -2.610) 3.819 5.439 ( -3.071 0.132 3.835) 4.915 5.507 ( -1.162 -3.571 9.518) 10.232 5.855 ( 5.171 -6.233 0.212) 8.101 5.903 ( 7.000 -1.147 -2.379) 7.481 6.111 ( -1.010 4.884 1.356) 5.168 6.243 ( -0.314 -1.456 -3.758) 4.043 6.423 ( -4.571 -4.823 1.716) 6.862 6.456 ( -0.883 -6.062 2.386) 6.574 6.478 ( -2.964 -4.276 2.532) 5.786 6.625 ( 0.134 4.702 1.740) 5.016 6.903 ( 0.447 0.630 1.664) 1.835 6.991 ( -0.071 3.013 -1.323) 3.291 7.027 ( 0.461 3.526 1.519) 3.867 7.097 ( -2.268 5.255 -0.656) 5.761 7.184 ( 0.574 -0.518 -0.203) 0.799 7.318 ( 2.534 2.214 3.181) 4.630 7.389 ( 0.165 4.632 -1.004) 4.743 7.410 ( -0.664 4.891 -1.288) 5.101 7.501 ( -2.125 -0.043 0.783) 2.265 7.736 ( 2.244 1.506 -2.373) 3.597 7.965 ( -0.451 4.307 -0.089) 4.332 8.076 ( -0.019 2.889 -2.682) 3.942 8.801 ( 0.873 -2.066 -2.945) 3.702 9.059 ( 1.716 -1.858 3.744) 4.518 9.255 ( -0.487 -6.388 -2.188) 6.770 9.262 ( -1.468 -7.134 -1.599) 7.457 9.539 ( 0.480 0.883 1.161) 1.535 9.554 ( 1.144 -5.857 0.905) 6.036 9.732 ( 0.279 -2.678 -0.031) 2.693 9.847 ( 0.912 -8.633 2.822) 9.129 9.999 ( 0.377 -2.735 1.071) 2.961 10.054 ( 1.711 -4.221 2.882) 5.390 10.261 ( -2.307 3.299 -3.348) 5.236 10.426 ( 1.926 3.962 4.478) 6.281 10.573 ( -5.016 19.019 -6.088) 20.590 10.630 ( -0.386 8.397 -2.140) 8.673 10.778 ( 2.533 6.793 4.952) 8.780 10.847 ( 2.168 1.042 5.135) 5.670 11.135 ( -13.190 22.334 -23.106) 34.737 11.304 ( -0.155 31.058 2.111) 31.130 11.371 ( -7.620 21.734 -8.130) 24.424 11.503 ( -2.737 -0.763 -3.046) 4.165 11.709 ( 2.145 -4.567 1.664) 5.313 12.381 ( 16.576 17.061 30.853) 38.958 12.963 ( -14.739 -12.375 -22.500) 29.608 13.229 ( 3.718 3.385 -0.117) 5.030 13.282 ( -1.470 2.618 -2.677) 4.022 13.400 ( 2.024 -1.600 5.625) 6.189 13.545 ( -3.250 11.646 -1.254) 12.156 13.630 ( -1.341 3.784 -7.071) 8.131 14.423 ( 8.150 -16.338 8.947) 20.332 14.471 ( 4.578 -6.327 2.858) 8.316 14.598 ( -14.645 -5.890 0.058) 15.785 15.020 ( 13.867 -12.239 25.580) 31.566 15.333 ( -2.941 -37.490 -1.583) 37.638 15.431 ( 1.898 -35.914 2.479) 36.049 16.050 ( -6.669 -15.552 -10.239) 19.778 16.296 ( 2.293 -18.650 4.063) 19.225 16.326 ( -7.120 1.296 -10.097) 12.423 16.561 ( -7.525 8.450 -12.468) 16.837 16.654 ( 6.678 11.740 5.986) 14.773 17.142 ( 1.568 -2.579 2.079) 3.666 18.223 ( -7.831 14.533 -14.361) 21.881 18.732 ( 3.095 7.532 8.895) 12.060 18.825 ( -2.822 6.463 -4.574) 8.405 19.181 ( 5.555 -0.190 6.860) 8.829 19.254 ( -5.540 17.627 -3.257) 18.762 19.426 ( 0.028 11.951 10.511) 15.916 20.249 ( 1.716 4.024 -1.412) 4.597 20.400 ( -3.021 -0.327 3.491) 4.628 20.569 ( -0.355 2.879 -2.971) 4.152 20.734 ( -2.156 2.829 0.818) 3.650 21.526 ( 6.250 -4.755 -17.739) 19.400 22.238 ( 7.396 -20.553 12.196) 25.017 ======================= Grid point 67 (35/72) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 3.017 7.551 0.811) 8.171 1.217 ( 8.034 -2.288 0.508) 8.369 1.415 ( 0.930 -2.042 5.842) 6.258 1.475 ( -0.375 0.341 -0.801) 0.948 1.488 ( -4.020 0.603 3.646) 5.461 1.726 ( -1.391 -0.045 3.117) 3.413 1.841 ( -0.917 1.663 -0.042) 1.899 1.950 ( -0.100 -0.909 2.085) 2.277 1.979 ( -0.407 2.964 0.799) 3.096 2.043 ( 1.207 1.209 -0.037) 1.708 2.107 ( 2.455 -2.954 1.726) 4.211 2.113 ( 0.584 -2.838 2.472) 3.808 2.304 ( -0.372 -0.794 1.446) 1.691 2.391 ( 1.257 -2.691 -0.534) 3.018 2.450 ( -2.053 -2.398 -3.457) 4.681 2.802 ( 4.068 -8.170 5.272) 10.540 2.809 ( 0.949 -6.075 3.005) 6.843 2.919 ( -3.500 5.500 0.205) 6.522 2.950 ( 2.291 4.686 -1.039) 5.319 3.164 ( -1.772 2.869 1.489) 3.686 3.321 ( -3.164 13.009 -2.729) 13.663 3.445 ( -4.683 0.245 -16.707) 17.353 3.534 ( -6.951 3.384 -7.204) 10.568 3.650 ( -1.194 22.377 -2.891) 22.595 3.951 ( 3.541 10.314 2.296) 11.144 4.025 ( -1.798 4.620 -7.697) 9.155 4.212 ( -0.445 2.954 -4.344) 5.272 4.616 ( -7.783 -7.159 1.146) 10.637 4.684 ( 2.797 -9.638 -0.277) 10.039 4.770 ( -2.254 -1.366 -2.415) 3.574 4.901 ( 6.156 -0.018 4.343) 7.533 5.176 ( 2.030 -2.188 0.678) 3.060 5.301 ( 2.138 -6.070 -0.080) 6.436 5.361 ( -2.746 3.851 6.761) 8.252 5.397 ( 5.422 3.615 5.437) 8.487 5.430 ( -1.217 -9.236 4.950) 10.549 5.865 ( -7.849 -3.843 1.243) 8.828 5.940 ( 0.294 -7.828 0.288) 7.839 6.193 ( 2.063 -3.574 -5.630) 6.981 6.229 ( -4.347 7.114 1.015) 8.399 6.257 ( 1.096 -3.419 -1.268) 3.807 6.485 ( 4.807 -1.309 3.919) 6.338 6.509 ( 3.972 -0.879 5.116) 6.536 6.630 ( -2.290 6.359 0.331) 6.767 6.947 ( 1.082 -2.591 -0.705) 2.895 6.975 ( 0.922 4.967 2.678) 5.718 7.027 ( -0.259 1.987 -1.729) 2.647 7.093 ( 1.134 1.863 4.161) 4.698 7.194 ( 0.740 -1.468 -0.328) 1.677 7.335 ( -0.907 5.772 -1.841) 6.126 7.387 ( 0.298 1.987 2.145) 2.939 7.403 ( -1.955 -0.309 -3.161) 3.730 7.530 ( 6.013 1.524 3.554) 7.149 7.774 ( 0.281 -2.898 -1.676) 3.360 7.847 ( -5.183 11.742 -3.704) 13.359 8.119 ( -0.085 0.678 -1.630) 1.768 8.814 ( 0.068 -0.288 0.233) 0.376 9.089 ( 1.734 2.252 3.065) 4.180 9.236 ( -1.333 -7.486 -2.389) 7.970 9.254 ( 1.420 -3.725 2.102) 4.507 9.528 ( -2.741 -3.387 -5.605) 7.099 9.576 ( 1.971 4.264 3.652) 5.950 9.788 ( 3.614 -3.746 4.507) 6.885 9.854 ( 0.977 -5.899 2.489) 6.477 9.998 ( -0.615 -2.925 -0.187) 2.994 10.088 ( 0.714 -4.615 1.901) 5.042 10.228 ( -1.341 5.437 -4.385) 7.113 10.406 ( -7.334 17.399 -9.676) 21.216 10.482 ( -0.671 7.126 -0.276) 7.162 10.613 ( -0.788 3.420 -3.797) 5.171 10.879 ( 6.164 -2.646 6.480) 9.327 10.888 ( -1.176 27.248 -12.888) 30.165 10.909 ( -0.485 3.946 -1.506) 4.252 11.291 ( 0.478 14.819 2.780) 15.085 11.352 ( 3.001 24.271 5.696) 25.111 11.482 ( -0.089 4.562 -0.268) 4.571 11.745 ( 1.549 -5.917 0.651) 6.151 12.605 ( -18.667 -17.923 -29.577) 39.300 12.759 ( 18.237 18.225 28.063) 38.109 13.203 ( -4.089 3.028 -1.993) 5.464 13.311 ( 2.030 6.310 -2.413) 7.055 13.400 ( -1.189 0.278 2.528) 2.808 13.478 ( -2.377 14.383 -1.267) 14.633 13.619 ( -0.743 0.542 -4.564) 4.655 14.326 ( -9.755 0.240 4.871) 10.906 14.583 ( 7.793 -14.323 4.016) 16.793 14.674 ( 11.132 -11.684 4.012) 16.630 15.192 ( -1.931 -40.282 7.068) 40.943 15.393 ( 12.137 -15.093 17.359) 26.009 15.522 ( 7.916 -18.247 9.769) 22.160 15.894 ( -8.408 3.024 -10.252) 13.599 16.139 ( -7.086 -4.303 -10.090) 13.058 16.325 ( -8.519 -10.614 -13.533) 19.193 16.445 ( 3.497 -17.424 6.137) 18.801 16.712 ( -2.708 1.088 -5.781) 6.477 17.130 ( -3.001 -10.520 -4.542) 11.845 18.120 ( -1.591 23.504 -8.815) 25.153 18.724 ( 0.228 15.761 0.288) 15.766 18.913 ( 6.942 8.955 12.288) 16.714 19.081 ( -7.265 20.938 -8.497) 23.735 19.283 ( 0.931 4.935 -0.365) 5.035 19.500 ( 5.684 -1.834 12.431) 13.791 20.286 ( 2.144 2.715 -1.213) 3.666 20.359 ( -0.735 0.348 2.770) 2.887 20.597 ( 2.637 3.473 -3.612) 5.663 20.677 ( -2.730 4.805 0.695) 5.569 21.563 ( -1.681 -4.332 -14.841) 15.552 22.316 ( -0.461 -24.308 12.156) 27.182 ======================= Grid point 68 (36/72) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -2.813 -0.808 5.654) 6.367 1.354 ( 4.434 10.436 -1.273) 11.410 1.427 ( -2.312 6.754 1.861) 7.377 1.453 ( 3.379 3.388 5.953) 7.638 1.512 ( 6.399 -1.006 -2.227) 6.850 1.706 ( 0.746 3.044 1.756) 3.592 1.783 ( -4.972 4.461 0.652) 6.711 1.910 ( -3.494 2.078 -1.011) 4.189 1.987 ( 1.925 2.778 0.752) 3.462 2.063 ( 1.233 -1.496 1.004) 2.183 2.129 ( 2.724 -3.380 -0.212) 4.346 2.200 ( 3.212 -3.372 1.343) 4.847 2.298 ( -0.379 1.703 3.479) 3.892 2.409 ( -1.822 -2.303 -2.264) 3.708 2.505 ( 10.488 2.609 8.737) 13.897 2.683 ( -7.741 6.102 -4.646) 10.897 2.787 ( -7.810 3.713 -2.490) 8.999 2.944 ( 3.725 -1.976 4.809) 6.396 2.990 ( -3.539 -2.501 0.216) 4.339 3.121 ( -0.964 -6.784 3.740) 7.807 3.176 ( -4.586 10.965 -11.311) 16.407 3.346 ( -2.785 14.209 -8.261) 16.670 3.446 ( -4.526 -10.954 -0.976) 11.892 3.688 ( 2.825 4.506 -2.116) 5.724 3.957 ( -2.942 13.633 -7.542) 15.856 4.033 ( 3.162 12.173 2.072) 12.746 4.213 ( -0.429 0.533 -2.944) 3.023 4.516 ( -1.076 -8.329 4.304) 9.437 4.704 ( -3.472 -3.215 -6.102) 7.722 4.743 ( 2.760 -8.920 -1.070) 9.398 4.947 ( -1.180 0.800 1.792) 2.290 5.196 ( 0.308 -0.995 -1.078) 1.499 5.247 ( -7.403 -4.141 6.460) 10.662 5.332 ( -2.440 0.785 1.883) 3.181 5.344 ( 0.874 -7.255 1.303) 7.423 5.638 ( 10.755 -2.147 0.907) 11.005 5.726 ( -5.081 -4.762 4.574) 8.332 5.804 ( -10.649 -3.207 -0.542) 11.134 6.158 ( 1.248 1.567 1.464) 2.482 6.264 ( -0.219 -2.118 -4.749) 5.204 6.301 ( 3.027 -1.959 2.382) 4.321 6.547 ( -2.115 1.172 0.231) 2.429 6.579 ( 2.789 8.089 2.368) 8.878 6.694 ( 10.408 3.167 5.615) 12.243 6.885 ( -5.348 0.178 -3.420) 6.351 7.012 ( 0.643 2.172 0.991) 2.472 7.027 ( -0.029 -0.862 -0.506) 1.000 7.126 ( 1.973 1.482 5.947) 6.438 7.206 ( -0.160 -1.356 -2.198) 2.588 7.332 ( 1.347 3.063 -1.268) 3.578 7.354 ( -1.896 0.527 -2.337) 3.055 7.402 ( 0.641 0.619 2.454) 2.610 7.609 ( -1.658 7.941 -0.828) 8.155 7.712 ( -1.314 -1.106 -0.756) 1.876 7.913 ( 8.212 3.129 0.303) 8.793 8.040 ( -6.097 0.890 -2.503) 6.650 8.782 ( -3.618 0.382 -0.667) 3.699 9.135 ( 2.356 2.556 1.845) 3.935 9.201 ( -2.016 -8.422 -2.157) 8.924 9.331 ( 4.892 1.136 5.833) 7.697 9.466 ( -2.668 -0.553 -3.608) 4.522 9.631 ( 4.199 3.761 4.386) 7.142 9.832 ( 1.484 -4.216 2.874) 5.313 9.911 ( 3.129 0.884 4.748) 5.755 9.972 ( -1.945 -3.903 -2.734) 5.147 10.043 ( -6.020 11.445 -11.619) 17.385 10.159 ( -2.737 7.344 -3.493) 8.581 10.301 ( -0.950 3.435 -2.688) 4.464 10.501 ( 1.697 2.665 1.412) 3.461 10.612 ( 0.707 3.363 -1.469) 3.737 10.866 ( -0.013 12.170 -5.712) 13.444 10.984 ( 2.338 3.725 -0.041) 4.398 10.989 ( 6.779 18.726 -2.440) 20.064 11.313 ( 0.944 0.720 -0.661) 1.359 11.489 ( 3.441 12.664 -0.488) 13.132 11.553 ( 14.558 11.732 23.272) 29.852 11.779 ( 2.102 -3.704 0.743) 4.324 12.221 ( -18.019 -17.849 -28.015) 37.790 13.036 ( 4.913 10.339 10.087) 15.257 13.126 ( -1.903 9.212 1.094) 9.470 13.320 ( 0.264 -0.072 1.285) 1.314 13.402 ( 1.186 5.711 -1.896) 6.133 13.454 ( -0.163 13.415 0.651) 13.432 13.574 ( -3.548 -2.085 -5.159) 6.599 14.228 ( 0.376 7.623 10.940) 13.340 14.732 ( 6.289 -11.652 -1.558) 13.332 14.869 ( 7.061 -13.179 -2.482) 15.156 15.144 ( -1.047 -42.150 3.152) 42.281 15.572 ( 6.632 9.625 10.740) 15.873 15.714 ( -8.031 12.675 -8.033) 17.019 15.807 ( 13.332 -17.948 21.217) 30.822 16.020 ( -2.232 -9.974 -4.958) 11.359 16.175 ( -4.413 -27.494 -6.401) 28.572 16.483 ( -7.190 -14.181 -10.661) 19.143 16.585 ( -2.575 -11.219 -2.727) 11.829 17.049 ( -3.540 -16.893 -4.804) 17.917 18.145 ( 3.826 27.942 -5.754) 28.783 18.792 ( 6.109 23.931 4.864) 25.173 18.939 ( -5.144 21.302 -7.544) 23.176 19.053 ( 4.896 11.897 9.273) 15.859 19.281 ( -0.324 2.638 -4.476) 5.206 19.591 ( 2.001 -3.806 9.685) 10.596 20.313 ( -0.335 4.135 1.676) 4.474 20.389 ( 3.690 1.744 -0.480) 4.110 20.628 ( 0.856 3.379 -3.187) 4.723 20.701 ( 6.081 1.614 -0.931) 6.360 21.460 ( -7.697 -4.295 -11.792) 14.722 22.209 ( -11.455 -29.452 12.893) 34.130 ======================= Grid point 69 (37/72) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -8.156 8.715 8.626) 14.727 1.365 ( -3.736 15.902 0.027) 16.335 1.388 ( -1.261 6.667 0.462) 6.801 1.534 ( 4.750 8.398 1.210) 9.724 1.608 ( -1.506 2.889 -2.876) 4.346 1.725 ( 2.629 4.554 -0.317) 5.268 1.770 ( 3.807 3.937 2.469) 6.008 1.862 ( -0.222 3.543 -1.626) 3.904 2.047 ( 3.132 3.247 1.583) 4.781 2.094 ( 1.789 -1.129 0.910) 2.303 2.171 ( 0.837 -2.412 0.246) 2.565 2.235 ( -0.821 -4.526 -3.225) 5.618 2.318 ( 2.209 1.689 2.906) 4.021 2.387 ( 0.597 -0.747 3.271) 3.408 2.526 ( -6.180 3.010 -3.787) 7.848 2.632 ( -5.261 3.301 1.867) 6.485 2.696 ( -0.462 -1.777 -2.040) 2.744 2.808 ( -4.511 -1.824 1.858) 5.208 2.996 ( 1.499 11.265 2.207) 11.577 3.110 ( -4.916 -18.814 -7.909) 20.992 3.228 ( 7.637 7.033 4.270) 11.226 3.288 ( -0.295 13.788 -1.172) 13.841 3.397 ( 0.424 -6.758 3.599) 7.668 3.702 ( -0.644 -3.556 -3.990) 5.383 3.951 ( 2.676 18.404 -0.304) 18.600 4.069 ( 0.016 10.359 -1.801) 10.515 4.185 ( -1.660 -2.837 -0.689) 3.359 4.530 ( 0.735 -9.767 0.268) 9.798 4.674 ( 1.249 -5.332 -1.496) 5.677 4.797 ( 2.364 -5.124 -1.711) 5.897 4.933 ( 1.048 1.380 0.653) 1.852 5.053 ( -10.191 -5.594 -2.900) 11.981 5.154 ( -4.143 1.602 -0.762) 4.506 5.279 ( -5.119 -9.394 -0.333) 10.704 5.363 ( 0.272 -6.828 0.734) 6.873 5.614 ( -4.338 9.452 4.215) 11.222 5.666 ( -2.693 -7.205 2.923) 8.229 5.841 ( 8.384 -0.108 -1.770) 8.569 6.190 ( 1.250 4.002 0.620) 4.238 6.232 ( -2.880 -3.099 0.732) 4.293 6.354 ( 2.395 -0.976 -0.837) 2.719 6.541 ( 1.056 2.852 3.951) 4.986 6.632 ( 2.409 8.030 -0.213) 8.386 6.768 ( -3.587 1.124 0.303) 3.771 6.836 ( 1.474 -0.655 -0.594) 1.719 6.974 ( -2.331 -0.755 -1.422) 2.833 7.045 ( -0.106 -0.422 0.178) 0.470 7.151 ( -1.091 4.053 2.407) 4.838 7.217 ( 2.072 -3.773 -0.312) 4.316 7.333 ( 0.195 0.049 -0.967) 0.987 7.375 ( 1.025 4.550 0.704) 4.717 7.406 ( 0.528 1.950 2.300) 3.061 7.569 ( 0.024 8.829 0.733) 8.859 7.653 ( -3.684 -1.989 -4.009) 5.797 7.947 ( -2.824 3.635 -0.896) 4.689 8.086 ( 6.711 -2.261 1.556) 7.250 8.685 ( -4.714 1.667 -2.427) 5.558 9.153 ( -1.454 -1.902 -2.746) 3.643 9.179 ( 0.828 -5.263 1.184) 5.457 9.365 ( -2.167 0.502 -3.778) 4.384 9.450 ( 1.767 0.475 2.764) 3.315 9.727 ( 0.607 -1.448 -0.322) 1.603 9.778 ( -4.688 2.869 -6.851) 8.783 9.913 ( -2.242 0.168 -2.742) 3.545 9.976 ( 1.827 -2.020 2.825) 3.924 10.051 ( 8.628 16.754 9.882) 21.278 10.138 ( -0.378 0.499 -0.262) 0.679 10.309 ( 2.005 5.048 2.613) 6.027 10.542 ( 2.064 -1.245 1.633) 2.912 10.627 ( 0.264 6.359 -1.339) 6.504 10.860 ( -0.119 5.069 -0.509) 5.096 10.996 ( -0.163 7.179 -2.202) 7.511 11.165 ( 9.811 16.500 -5.208) 19.890 11.319 ( -0.477 -4.878 -1.732) 5.198 11.576 ( 5.998 17.271 -1.239) 18.324 11.773 ( -3.525 10.903 -4.628) 12.358 11.794 ( -6.619 -1.135 -10.469) 12.438 12.082 ( 18.758 -20.205 23.009) 35.910 13.014 ( -2.414 2.861 1.106) 3.903 13.086 ( -4.928 12.674 -8.133) 15.845 13.317 ( -0.721 3.587 0.755) 3.736 13.420 ( -2.130 7.812 -1.164) 8.181 13.479 ( 0.877 -7.714 -2.610) 8.191 13.493 ( -0.040 11.617 -1.335) 11.693 14.314 ( 4.602 9.831 12.770) 16.760 14.770 ( -3.209 -0.740 0.577) 3.343 14.991 ( 7.892 -19.876 -10.264) 23.721 15.173 ( 3.046 -34.741 3.988) 35.101 15.555 ( -6.242 19.827 -7.712) 22.171 15.695 ( 4.195 7.402 8.236) 11.841 15.873 ( -5.355 -18.309 -8.382) 20.836 16.051 ( -6.726 -15.079 -10.106) 19.358 16.140 ( 4.274 -29.088 4.980) 29.819 16.408 ( 11.510 -10.887 11.376) 19.504 16.565 ( -3.217 -15.916 -3.751) 16.666 17.034 ( 2.548 -17.721 4.024) 18.350 18.258 ( 7.666 24.207 -6.569) 26.228 18.821 ( -3.185 22.785 -12.566) 26.215 19.013 ( 12.700 23.295 8.716) 27.927 19.088 ( -2.425 14.144 -1.658) 14.446 19.290 ( 1.815 -0.878 -0.505) 2.078 19.597 ( -0.532 2.711 4.068) 4.917 20.267 ( -3.599 6.138 3.795) 8.064 20.485 ( 5.180 4.106 -2.019) 6.911 20.655 ( 1.132 0.001 -2.160) 2.438 20.908 ( 13.883 -4.196 0.394) 14.509 21.257 ( -11.949 -4.170 -8.314) 15.142 21.833 ( -26.544 -30.135 16.075) 43.256 ======================= Grid point 70 (38/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.799 12.838 2.314) 13.069 1.452 ( 0.426 0.351 0.023) 0.552 1.587 ( 0.991 6.042 -0.398) 6.136 1.639 ( -1.828 4.454 -0.588) 4.850 1.679 ( 1.311 -0.580 -2.434) 2.824 1.725 ( -3.564 -1.619 -0.964) 4.031 1.915 ( 1.516 3.906 0.614) 4.235 1.983 ( 0.667 1.749 0.533) 1.946 2.063 ( -1.139 -2.831 -2.610) 4.016 2.090 ( -2.986 -1.664 -0.043) 3.419 2.155 ( -2.643 2.955 -1.209) 4.144 2.207 ( -0.334 -0.003 -0.565) 0.656 2.330 ( -3.878 -1.262 2.094) 4.585 2.366 ( -3.793 -2.556 0.351) 4.587 2.463 ( -3.800 -0.287 -4.007) 5.530 2.484 ( -0.980 -0.797 -1.490) 1.954 2.562 ( -5.893 -6.274 -10.303) 13.425 2.599 ( 3.309 -4.878 -2.801) 6.526 2.884 ( 2.547 4.841 5.064) 7.454 3.013 ( 1.520 -6.212 3.231) 7.165 3.398 ( -1.129 6.268 -1.309) 6.502 3.502 ( 0.040 0.849 2.137) 2.300 3.647 ( 11.329 1.918 10.779) 15.755 3.690 ( 10.045 -0.767 10.262) 14.380 4.143 ( 0.055 6.449 -1.727) 6.677 4.252 ( 1.545 8.483 2.196) 8.898 4.321 ( 2.919 -8.902 1.367) 9.468 4.478 ( 3.223 -2.081 -0.253) 3.845 4.519 ( -3.812 8.695 -2.638) 9.854 4.666 ( -5.674 -0.719 -7.929) 9.776 4.838 ( -3.079 -3.634 -5.101) 6.979 4.932 ( -0.409 -6.900 -3.412) 7.709 5.122 ( 4.110 3.373 -1.963) 5.668 5.150 ( -0.523 0.318 -2.339) 2.418 5.297 ( -1.471 1.431 3.724) 4.253 5.438 ( -3.286 -9.183 1.959) 9.948 5.804 ( -2.161 10.053 -0.011) 10.283 5.975 ( 0.603 -6.533 -0.004) 6.561 6.107 ( -0.993 7.848 0.510) 7.927 6.285 ( 2.618 -6.620 -0.213) 7.121 6.446 ( -1.195 10.010 1.752) 10.232 6.580 ( -4.982 0.133 -3.270) 5.960 6.746 ( 5.439 0.131 2.897) 6.163 6.785 ( -1.038 -0.743 0.891) 1.557 6.836 ( 2.382 0.094 2.554) 3.494 6.860 ( -1.062 -5.644 4.783) 7.474 7.000 ( -0.489 2.851 -1.990) 3.511 7.108 ( -2.743 -3.930 -3.025) 5.667 7.200 ( -0.570 2.320 0.191) 2.396 7.279 ( -1.095 -3.799 -0.579) 3.996 7.449 ( -0.844 3.833 -0.130) 3.927 7.485 ( 0.454 0.805 0.181) 0.942 7.674 ( 1.637 4.649 0.398) 4.945 7.725 ( 4.254 -0.298 2.294) 4.843 7.986 ( -1.121 4.369 -1.447) 4.737 8.074 ( -0.187 -3.653 -0.701) 3.724 8.758 ( 1.308 8.471 0.414) 8.582 8.965 ( 1.668 -10.984 1.745) 11.246 9.182 ( -4.754 3.722 -6.836) 9.121 9.253 ( -5.958 -2.593 -8.240) 10.494 9.509 ( 2.348 1.688 4.263) 5.151 9.611 ( 1.326 -7.552 3.447) 8.407 9.718 ( -7.487 3.805 -9.114) 12.393 9.794 ( -5.686 -3.436 -6.262) 9.129 9.935 ( 0.321 -1.714 0.915) 1.969 9.971 ( -0.554 -5.158 -0.782) 5.246 10.354 ( 1.299 6.535 0.375) 6.674 10.492 ( 1.127 -6.218 0.674) 6.355 10.716 ( -4.441 7.361 -4.011) 9.487 10.785 ( 0.487 4.428 2.240) 4.986 10.977 ( -1.574 3.384 -2.952) 4.758 11.019 ( 1.041 1.889 -2.037) 2.966 11.380 ( 6.461 4.138 7.548) 10.763 11.434 ( 8.574 6.064 8.693) 13.633 11.568 ( 2.735 -1.788 6.500) 7.275 11.718 ( 9.973 -3.655 12.162) 16.147 12.340 ( -1.565 29.708 -5.605) 30.273 12.629 ( 9.818 26.033 15.670) 31.932 12.899 ( -9.006 -15.040 -12.426) 21.487 13.028 ( -0.226 -5.515 0.261) 5.526 13.223 ( 0.911 -0.743 -3.034) 3.254 13.361 ( 2.553 -5.156 -0.131) 5.755 13.529 ( 0.915 1.134 3.048) 3.378 13.669 ( -0.070 -7.812 1.667) 7.988 14.395 ( -10.866 6.241 -2.289) 12.738 14.474 ( -2.845 -9.838 3.958) 10.979 14.823 ( 2.582 2.120 -2.457) 4.147 14.974 ( 3.596 -11.434 -7.663) 14.226 15.198 ( -17.548 -8.726 -27.472) 33.746 15.270 ( -10.517 -13.289 -16.258) 23.484 15.667 ( -6.218 2.026 -8.876) 11.024 15.969 ( -8.231 -21.191 -11.203) 25.344 16.207 ( 14.095 15.531 18.067) 27.682 16.472 ( 13.935 0.385 15.866) 21.120 16.536 ( 14.762 3.399 19.790) 24.922 16.840 ( 10.069 -15.180 14.725) 23.423 18.690 ( -0.592 12.970 -4.425) 13.717 18.942 ( -6.723 -10.058 -8.181) 14.605 19.062 ( -5.375 9.315 -10.790) 15.234 19.161 ( -4.782 -0.609 -8.252) 9.556 19.730 ( 9.688 8.480 2.359) 13.089 19.785 ( 7.418 2.879 3.128) 8.550 20.339 ( -2.902 6.145 2.895) 7.387 20.469 ( -8.226 -6.740 6.003) 12.212 20.725 ( 0.273 8.459 -2.992) 8.977 20.874 ( -3.804 -5.240 -3.660) 7.438 21.085 ( -3.396 0.182 4.835) 5.911 21.162 ( 4.836 -7.921 7.465) 11.910 ======================= Grid point 71 (39/72) ======================= q-point: ( 0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.345 11.577 3.222) 12.022 1.467 ( 0.125 0.322 0.161) 0.381 1.558 ( -2.419 5.238 1.122) 5.877 1.626 ( -5.606 -0.758 0.698) 5.699 1.658 ( 1.580 1.306 -2.215) 3.017 1.690 ( -1.159 -1.171 -2.499) 2.993 1.892 ( -8.182 2.181 -1.278) 8.563 1.908 ( -1.680 2.194 -0.706) 2.852 1.962 ( -6.643 -3.812 0.072) 7.659 2.013 ( -2.926 -5.679 -1.369) 6.534 2.106 ( -2.598 1.308 -2.659) 3.941 2.150 ( -3.031 -2.349 -2.326) 4.485 2.261 ( -3.089 -0.799 3.829) 4.984 2.288 ( -2.866 -3.227 0.703) 4.373 2.400 ( -0.020 -1.575 -0.525) 1.660 2.440 ( -1.332 -6.123 -2.590) 6.780 2.658 ( 8.757 4.522 -1.500) 9.970 2.738 ( 7.751 -2.412 -0.549) 8.136 2.978 ( 6.755 4.616 1.831) 8.384 3.045 ( 1.854 0.900 -1.524) 2.564 3.347 ( -2.869 1.213 -0.139) 3.118 3.460 ( -3.625 -6.220 -2.121) 7.506 3.890 ( 10.927 6.653 11.775) 17.387 3.932 ( 12.434 0.299 10.407) 16.217 4.189 ( 3.974 9.521 -0.928) 10.359 4.291 ( 0.935 12.432 2.059) 12.636 4.316 ( -2.020 -4.474 -2.580) 5.546 4.475 ( 0.442 3.548 2.218) 4.207 4.567 ( 0.811 -0.306 -4.009) 4.101 4.643 ( 6.825 -6.828 0.581) 9.672 4.771 ( -1.573 -2.294 -7.830) 8.310 4.864 ( -7.088 -3.713 -12.528) 14.865 5.158 ( 0.843 4.771 2.038) 5.256 5.236 ( 1.532 -1.423 0.186) 2.099 5.287 ( 4.683 -0.093 -0.341) 4.696 5.373 ( -2.548 -8.975 0.835) 9.367 5.751 ( -1.962 7.527 1.280) 7.883 5.892 ( -4.864 -6.023 2.570) 8.157 6.158 ( 2.653 8.563 2.185) 9.227 6.323 ( -0.107 -5.950 -0.807) 6.006 6.398 ( -3.203 5.039 -0.260) 5.976 6.457 ( -5.346 -0.621 -2.858) 6.093 6.699 ( -4.164 3.050 1.362) 5.338 6.836 ( -1.265 -4.974 4.132) 6.589 6.858 ( 1.641 -0.781 0.328) 1.846 6.908 ( 0.419 -3.203 -0.610) 3.287 7.003 ( 1.680 2.841 -0.668) 3.368 7.062 ( 1.987 -0.253 -0.062) 2.004 7.222 ( 1.954 0.857 1.720) 2.740 7.264 ( -0.424 -2.050 0.196) 2.102 7.452 ( 0.833 3.540 0.490) 3.670 7.489 ( 0.287 0.754 0.394) 0.898 7.724 ( 2.456 5.565 -0.060) 6.083 7.774 ( -1.342 0.950 -0.794) 1.826 7.981 ( 2.137 2.316 -0.389) 3.175 8.039 ( -2.417 -2.012 -0.728) 3.228 8.799 ( 2.057 8.011 -0.582) 8.291 8.993 ( -0.729 -8.710 -2.713) 9.152 9.096 ( -2.207 0.031 -2.776) 3.547 9.158 ( -2.411 -4.500 -2.789) 5.818 9.538 ( -0.712 1.244 0.066) 1.435 9.593 ( -2.708 1.076 -2.171) 3.634 9.624 ( -0.443 -6.782 0.206) 6.799 9.663 ( -5.185 -5.130 -5.823) 9.333 9.945 ( 0.633 -0.543 0.797) 1.153 9.974 ( 0.396 -3.160 0.299) 3.198 10.401 ( 2.867 6.129 4.078) 7.900 10.509 ( -1.152 -1.775 0.111) 2.119 10.631 ( -1.950 1.578 -1.248) 2.801 10.722 ( -5.234 -4.167 -4.604) 8.121 10.961 ( 0.292 8.959 -0.864) 9.006 11.051 ( 1.160 2.429 -0.029) 2.691 11.410 ( -0.406 0.616 0.502) 0.892 11.502 ( -1.230 -6.772 0.576) 6.907 11.800 ( 13.663 23.861 19.136) 33.499 11.907 ( 9.895 14.564 15.938) 23.750 12.275 ( -4.351 22.642 -6.078) 23.844 12.637 ( -16.188 -0.640 -22.032) 27.347 12.873 ( 12.091 4.223 19.963) 23.718 13.054 ( 2.472 -3.966 1.370) 4.870 13.253 ( 1.454 3.095 -3.239) 4.710 13.391 ( -0.721 -0.858 -1.153) 1.607 13.565 ( 2.460 -4.498 0.836) 5.194 13.672 ( 0.681 -10.018 -1.609) 10.169 14.162 ( -9.306 1.220 -1.937) 9.583 14.326 ( -11.981 -20.364 -4.743) 24.099 14.805 ( -1.300 6.225 -2.528) 6.843 14.937 ( -4.312 -0.837 -8.222) 9.322 14.990 ( -6.199 -8.596 -3.432) 11.140 15.082 ( -8.179 -10.864 -11.857) 18.042 15.601 ( -0.215 -10.967 -0.751) 10.995 15.792 ( -7.864 -22.413 -11.169) 26.248 16.489 ( 12.332 15.513 15.300) 25.036 16.705 ( 7.121 -1.936 7.086) 10.231 16.794 ( 10.140 8.922 14.913) 20.120 17.018 ( 6.175 -9.391 8.588) 14.145 18.647 ( -3.608 6.004 -3.824) 7.980 18.777 ( -8.099 -5.102 -8.502) 12.802 18.968 ( -2.638 7.157 -4.715) 8.967 19.062 ( -4.632 -2.479 -8.550) 10.035 19.792 ( -2.440 8.664 3.320) 9.594 19.846 ( -3.868 2.949 7.594) 9.018 20.311 ( -0.751 4.640 0.578) 4.736 20.400 ( 4.006 -4.121 -2.228) 6.164 20.681 ( -2.156 4.436 -3.152) 5.853 20.762 ( -5.877 -3.618 -2.220) 7.250 21.156 ( 9.580 9.160 2.474) 13.483 21.396 ( 13.583 -13.916 6.448) 20.487 ======================= Grid point 72 (40/72) ======================= q-point: ( 0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -5.632 8.212 4.128) 10.780 1.436 ( -8.464 -4.357 3.404) 10.110 1.441 ( -3.001 0.730 2.857) 4.207 1.519 ( -7.419 -6.702 1.991) 10.194 1.597 ( -4.401 7.401 -1.181) 8.691 1.670 ( 0.201 -1.220 -1.078) 1.640 1.818 ( 1.348 1.724 -0.785) 2.325 1.859 ( -0.233 -2.842 1.325) 3.145 1.926 ( 0.890 -1.407 -0.842) 1.865 1.986 ( 0.662 -4.418 -0.054) 4.468 2.076 ( -0.151 -0.613 -0.289) 0.694 2.097 ( -2.057 -3.021 -0.088) 3.656 2.200 ( -2.043 3.155 3.028) 4.827 2.275 ( 0.343 -3.835 2.459) 4.569 2.416 ( 0.717 -2.490 0.348) 2.614 2.435 ( 0.371 -4.355 0.447) 4.394 2.822 ( 7.051 4.831 -1.268) 8.641 2.881 ( 6.067 -0.014 -0.848) 6.126 3.065 ( 0.331 6.859 -3.917) 7.906 3.120 ( 5.971 2.560 0.523) 6.517 3.312 ( -1.227 -3.321 0.766) 3.623 3.392 ( -1.560 -8.145 -4.050) 9.229 4.041 ( 2.580 8.397 2.652) 9.176 4.138 ( 7.086 2.412 1.042) 7.557 4.225 ( -4.308 6.834 -7.076) 10.739 4.248 ( -0.319 11.233 -2.003) 11.415 4.333 ( 1.230 5.958 2.252) 6.487 4.533 ( 2.113 -10.301 2.654) 10.845 4.593 ( 4.424 9.074 3.080) 10.554 4.686 ( -7.693 0.643 -13.464) 15.520 4.776 ( 8.381 -2.971 0.347) 8.899 4.825 ( 4.087 -2.521 -5.829) 7.553 5.126 ( -2.536 -1.648 7.484) 8.072 5.224 ( -2.537 -8.289 3.750) 9.445 5.370 ( 5.186 2.026 -2.137) 5.964 5.438 ( 5.183 -3.723 -1.074) 6.472 5.753 ( 2.382 3.698 3.841) 5.840 5.827 ( -1.639 -3.114 4.506) 5.717 6.179 ( -0.212 5.348 -0.617) 5.387 6.262 ( -4.402 -2.218 -5.525) 7.404 6.350 ( -1.522 -0.872 1.858) 2.556 6.389 ( -2.679 -4.726 2.178) 5.852 6.602 ( -5.385 5.695 1.095) 7.914 6.755 ( -4.829 -3.993 -0.470) 6.283 6.874 ( 0.469 0.631 0.342) 0.858 6.921 ( 2.605 -3.011 0.058) 3.981 7.066 ( 3.063 3.724 0.116) 4.823 7.155 ( 4.143 -2.534 1.992) 5.250 7.229 ( -0.747 2.640 2.277) 3.566 7.282 ( 2.128 -1.349 2.782) 3.754 7.459 ( -0.596 3.945 -0.377) 4.007 7.493 ( -0.111 1.346 -0.699) 1.521 7.664 ( -6.700 5.521 -2.347) 8.993 7.747 ( -2.155 -0.490 -2.231) 3.141 8.017 ( 1.846 2.934 -0.329) 3.482 8.068 ( 4.451 -1.519 -0.942) 4.797 8.827 ( 0.645 5.812 -1.995) 6.178 8.954 ( -0.006 -3.817 0.036) 3.817 9.093 ( 0.244 -4.437 -0.036) 4.444 9.142 ( -0.232 -6.415 -0.157) 6.421 9.508 ( -0.669 2.081 -0.476) 2.238 9.550 ( -0.999 0.509 -0.418) 1.196 9.616 ( -0.479 -6.089 0.947) 6.181 9.646 ( 1.672 -6.482 2.948) 7.315 9.957 ( 0.321 -0.202 0.314) 0.493 9.978 ( 0.067 -2.152 0.083) 2.155 10.428 ( -4.160 5.376 -3.456) 7.626 10.461 ( 1.476 3.854 3.237) 5.244 10.612 ( -4.097 -3.743 -3.536) 6.580 10.656 ( 2.155 -6.225 4.427) 7.936 10.965 ( -0.107 10.974 -2.104) 11.175 11.067 ( 0.501 4.136 -0.407) 4.186 11.378 ( -2.396 0.596 -1.910) 3.121 11.488 ( 0.031 -7.397 3.180) 8.051 11.955 ( 3.494 31.830 3.138) 32.174 12.111 ( -1.687 30.575 0.509) 30.626 12.212 ( -13.333 9.112 -19.355) 25.208 12.280 ( 3.424 5.805 8.579) 10.910 13.035 ( -2.073 -2.804 -2.805) 4.475 13.133 ( 5.940 -7.279 7.028) 11.733 13.251 ( 0.250 4.014 0.640) 4.072 13.341 ( -1.878 -1.021 -1.443) 2.579 13.628 ( 3.600 -6.864 -1.155) 7.836 13.686 ( 0.180 -5.145 -4.941) 7.135 14.071 ( 0.348 -7.205 0.668) 7.245 14.135 ( -4.266 -18.390 0.109) 18.878 14.772 ( -11.258 -2.689 3.833) 12.193 14.803 ( -2.681 0.479 5.810) 6.416 14.922 ( -4.681 -7.970 -4.813) 10.421 14.941 ( 2.109 -0.099 2.224) 3.066 15.639 ( 1.441 -19.385 1.746) 19.517 15.671 ( -1.590 -20.027 -2.577) 20.255 16.689 ( 6.207 9.322 5.540) 12.495 16.751 ( -1.692 3.695 -4.775) 6.270 16.924 ( 0.987 10.453 1.664) 10.631 17.079 ( 0.249 -4.566 0.105) 4.574 18.553 ( -4.734 6.080 -5.818) 9.656 18.674 ( -1.023 -4.938 2.608) 5.678 18.973 ( 1.147 1.570 0.522) 2.014 18.984 ( -0.477 0.198 -2.265) 2.323 19.694 ( -6.230 8.423 1.746) 10.621 19.727 ( -6.357 5.211 6.735) 10.626 20.330 ( 0.931 5.995 -0.956) 6.141 20.430 ( -1.777 -3.403 1.169) 4.013 20.653 ( -1.615 2.212 -4.530) 5.294 20.712 ( 1.775 -3.039 -6.329) 7.242 21.380 ( 10.985 9.294 -1.424) 14.459 21.656 ( 11.307 -16.730 6.694) 21.273 ======================= Grid point 73 (41/72) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -4.815 3.749 3.743) 7.159 1.259 ( -7.349 -4.605 7.102) 11.209 1.382 ( -1.440 -0.283 4.450) 4.686 1.432 ( -0.656 -4.405 3.390) 5.597 1.566 ( -0.317 5.742 0.007) 5.751 1.677 ( 0.491 -3.828 0.589) 3.905 1.855 ( 1.438 0.679 -0.254) 1.611 1.878 ( 1.353 -2.262 1.670) 3.120 1.980 ( 3.949 0.152 1.369) 4.182 2.013 ( 1.490 -0.311 1.575) 2.191 2.067 ( -0.676 0.252 1.691) 1.838 2.099 ( 0.754 -5.471 2.539) 6.078 2.197 ( 2.464 2.855 3.250) 4.978 2.286 ( 0.678 -4.380 2.383) 5.032 2.424 ( 0.393 -1.827 1.026) 2.131 2.447 ( 0.929 -4.383 3.301) 5.565 2.915 ( 1.896 5.000 -2.529) 5.915 2.968 ( 2.513 0.752 0.036) 2.623 3.068 ( 0.103 5.733 -3.678) 6.812 3.188 ( 0.624 -2.815 -0.530) 2.932 3.294 ( 0.366 -0.489 -0.761) 0.975 3.403 ( 1.408 -6.237 -3.207) 7.153 3.983 ( -8.013 10.339 -10.943) 17.055 4.064 ( -11.639 4.596 -17.238) 21.301 4.181 ( -1.682 7.326 -2.961) 8.078 4.243 ( 2.969 -1.811 -2.654) 4.375 4.381 ( 2.042 13.227 3.385) 13.806 4.507 ( -2.080 -4.326 -2.923) 5.620 4.591 ( -1.577 7.437 -4.137) 8.655 4.747 ( 6.513 1.463 4.199) 7.886 4.892 ( 2.779 2.527 0.492) 3.789 4.985 ( 9.454 -5.809 4.159) 11.850 5.067 ( -0.091 -3.413 3.109) 4.618 5.210 ( -0.058 -10.905 3.551) 11.469 5.448 ( 0.907 1.853 3.794) 4.319 5.481 ( -0.615 -0.762 5.772) 5.855 5.813 ( 2.254 1.640 1.185) 3.029 5.864 ( 3.682 -2.354 0.218) 4.375 6.157 ( -1.973 -1.303 -3.888) 4.550 6.173 ( -4.264 -3.501 -7.216) 9.084 6.322 ( -0.347 -1.023 3.531) 3.693 6.359 ( 1.730 -3.304 5.521) 6.663 6.539 ( -0.932 8.275 4.048) 9.259 6.700 ( 0.272 -3.160 2.824) 4.247 6.888 ( 0.235 2.151 -0.315) 2.186 6.982 ( 2.842 -4.437 -0.097) 5.270 7.082 ( -1.428 3.498 0.008) 3.778 7.139 ( -4.266 -1.106 -1.913) 4.804 7.256 ( 1.367 5.423 3.147) 6.418 7.343 ( 3.078 -2.035 1.825) 4.116 7.430 ( -1.591 3.363 -1.568) 4.038 7.475 ( -2.060 0.770 -3.298) 3.964 7.561 ( -1.951 4.803 0.501) 5.208 7.680 ( -2.444 -6.025 -1.003) 6.579 8.076 ( 2.119 5.325 -1.632) 5.959 8.130 ( 1.673 0.578 -2.108) 2.753 8.843 ( 1.519 6.378 -0.386) 6.568 9.015 ( 4.332 -7.039 5.665) 10.020 9.094 ( 0.543 -2.427 0.949) 2.661 9.141 ( 0.892 -4.874 1.869) 5.295 9.500 ( -0.576 1.830 -0.366) 1.953 9.580 ( 2.884 3.139 5.401) 6.880 9.607 ( 0.048 -7.381 0.638) 7.408 9.685 ( 2.154 -7.057 5.096) 8.967 9.953 ( -0.559 -0.362 -0.439) 0.798 9.981 ( 0.172 -2.775 0.306) 2.797 10.352 ( -2.537 5.572 -4.077) 7.356 10.464 ( -1.112 -3.649 -0.997) 3.943 10.578 ( 0.742 3.824 2.331) 4.540 10.704 ( 2.204 -6.787 5.846) 9.225 10.955 ( -0.799 11.022 -3.549) 11.606 11.064 ( -0.994 4.350 -2.450) 5.090 11.335 ( -1.542 3.617 -2.239) 4.525 11.487 ( -1.212 -7.602 2.400) 8.063 11.757 ( -19.644 16.979 -32.373) 41.499 11.904 ( -9.414 12.920 -13.734) 21.076 12.103 ( 3.115 38.963 3.959) 39.288 12.582 ( 15.354 -1.333 22.770) 27.496 12.831 ( -12.812 7.487 -17.481) 22.929 13.173 ( -1.304 -11.731 -2.294) 12.024 13.342 ( 5.603 1.421 6.223) 8.493 13.368 ( 3.335 -1.212 6.661) 7.547 13.667 ( -1.935 0.097 -5.781) 6.097 13.681 ( 0.902 -3.244 -3.232) 4.668 14.140 ( 4.434 -11.591 2.738) 12.708 14.163 ( 7.310 -14.761 0.218) 16.473 14.542 ( -10.193 1.174 8.772) 13.499 14.672 ( -7.767 -15.570 9.070) 19.622 14.947 ( 6.742 1.400 7.402) 10.109 15.071 ( 8.577 -4.004 11.990) 15.276 15.607 ( -0.200 -12.843 -0.614) 12.859 15.774 ( 7.205 -22.452 10.500) 25.812 16.616 ( -9.218 12.164 -15.122) 21.485 16.755 ( -1.771 -0.075 -6.154) 6.404 16.823 ( -9.555 11.795 -13.590) 20.375 17.037 ( -4.855 -8.041 -7.135) 11.795 18.500 ( 0.099 12.719 -1.231) 12.779 18.725 ( 5.044 -7.957 9.330) 13.259 18.967 ( 1.863 7.280 1.494) 7.661 19.088 ( 6.834 -4.731 8.444) 11.848 19.562 ( -6.779 9.409 -2.633) 11.892 19.617 ( -4.787 3.980 1.721) 6.459 20.327 ( -0.620 3.347 0.819) 3.501 20.379 ( -2.444 -1.733 2.903) 4.172 20.651 ( 1.439 5.029 -6.218) 8.126 20.743 ( 0.838 -2.680 -5.892) 6.526 21.548 ( 5.124 7.954 -3.124) 9.964 21.829 ( 5.132 -18.306 6.620) 20.132 ======================= Grid point 74 (42/72) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 5.126 0.161 2.006) 5.507 1.216 ( 3.433 -3.369 6.040) 7.721 1.416 ( 3.925 0.980 5.390) 6.739 1.450 ( 2.108 -2.121 3.210) 4.387 1.565 ( 0.287 6.643 -0.006) 6.650 1.688 ( 0.635 -4.287 0.879) 4.422 1.871 ( 0.183 1.407 0.437) 1.485 1.906 ( 1.133 -2.332 1.745) 3.125 2.027 ( -0.762 1.206 2.314) 2.718 2.044 ( 0.221 -0.789 1.128) 1.395 2.070 ( 1.919 1.309 2.105) 3.135 2.101 ( 0.893 -0.808 3.046) 3.276 2.285 ( 3.912 -0.350 3.371) 5.176 2.321 ( 3.381 -3.323 4.330) 6.420 2.438 ( 1.471 0.677 3.389) 3.756 2.510 ( 6.208 -8.210 10.975) 15.046 2.895 ( -3.784 4.977 -3.901) 7.370 2.977 ( -2.248 -1.502 0.096) 2.705 3.051 ( -1.739 5.330 -3.766) 6.754 3.166 ( -2.642 -4.230 -2.493) 5.576 3.310 ( 0.660 1.064 -1.022) 1.616 3.407 ( -1.248 -3.352 -4.067) 5.416 3.752 ( -12.636 7.484 -19.682) 24.557 3.823 ( -10.050 2.045 -14.455) 17.724 4.191 ( 1.661 8.291 -0.401) 8.465 4.269 ( -0.129 1.516 -4.283) 4.545 4.404 ( -0.185 3.737 -0.754) 3.817 4.444 ( -3.290 -6.649 -1.241) 7.521 4.589 ( 0.804 17.276 1.030) 17.326 4.792 ( -2.780 1.921 -1.863) 3.859 4.930 ( 3.299 2.967 0.923) 4.532 5.092 ( 3.200 -8.006 3.448) 9.286 5.161 ( 0.887 -5.408 3.245) 6.369 5.220 ( 2.546 -9.188 3.008) 9.998 5.447 ( -1.528 3.168 7.829) 8.582 5.465 ( 2.684 1.946 6.468) 7.268 5.789 ( -7.168 -2.475 -1.069) 7.658 5.808 ( -6.146 -4.666 -1.315) 7.828 6.136 ( 2.580 -0.380 -6.523) 7.025 6.178 ( 2.533 -3.999 -5.193) 7.027 6.363 ( 2.811 4.918 5.660) 8.008 6.463 ( 6.460 -4.251 8.435) 11.443 6.561 ( 4.029 9.808 3.808) 11.266 6.750 ( 2.576 -2.229 4.139) 5.361 6.869 ( -1.568 1.324 -1.749) 2.696 7.000 ( -2.947 -4.971 -2.476) 6.287 7.051 ( -1.523 0.744 1.069) 2.004 7.060 ( 0.112 -0.795 -0.125) 0.812 7.249 ( -0.918 4.981 1.594) 5.310 7.346 ( -2.817 -3.948 -1.418) 5.053 7.411 ( -0.420 2.742 -0.070) 2.775 7.437 ( -1.126 0.794 -2.157) 2.559 7.599 ( 4.902 4.183 0.652) 6.477 7.689 ( 2.601 -4.684 -1.356) 5.526 8.058 ( -3.104 7.371 -2.054) 8.257 8.131 ( -2.229 -0.482 -2.077) 3.085 8.866 ( -0.080 5.758 -0.649) 5.794 9.038 ( -1.508 -10.198 -2.412) 10.587 9.171 ( 5.396 3.969 8.545) 10.857 9.211 ( 6.297 -0.963 9.381) 11.339 9.477 ( -1.619 0.439 -2.454) 2.973 9.575 ( -1.994 -6.479 -1.234) 6.891 9.689 ( 6.294 1.036 8.505) 10.631 9.765 ( 5.913 -4.743 9.351) 12.037 9.937 ( -1.128 -0.929 -0.785) 1.659 9.979 ( -0.499 -4.522 -0.324) 4.561 10.330 ( 0.436 5.856 -1.693) 6.112 10.455 ( 0.560 -5.550 -0.702) 5.623 10.607 ( 1.354 6.975 2.794) 7.634 10.746 ( 1.290 -5.510 3.492) 6.650 10.915 ( -3.330 11.822 -7.039) 14.156 11.030 ( -1.182 3.541 -4.425) 5.789 11.317 ( -0.506 9.380 -2.587) 9.743 11.341 ( -9.914 6.948 -18.089) 21.767 11.547 ( -2.315 -5.953 -3.743) 7.403 11.680 ( -10.708 -5.618 -18.191) 21.844 12.185 ( 4.400 43.749 2.209) 44.025 12.610 ( -8.000 24.928 -11.514) 28.600 12.857 ( 10.630 -13.610 15.500) 23.205 13.133 ( -1.990 -14.554 -1.099) 14.730 13.392 ( -1.999 2.943 1.819) 3.995 13.433 ( 2.371 0.599 3.137) 3.978 13.605 ( -3.642 0.224 -5.090) 6.263 13.666 ( -1.078 -2.682 -4.139) 5.049 14.280 ( 8.858 -8.871 -3.433) 12.998 14.335 ( 7.350 -9.702 0.265) 12.174 14.432 ( 1.724 2.312 12.303) 12.637 14.557 ( -3.847 -14.308 8.480) 17.072 15.166 ( 13.861 -6.374 21.255) 26.163 15.264 ( 9.719 -10.282 16.204) 21.511 15.653 ( 4.696 -1.262 6.743) 8.314 15.937 ( 8.070 -21.708 11.873) 26.025 16.377 ( -13.352 15.238 -18.680) 27.558 16.569 ( -13.801 15.441 -19.509) 28.451 16.626 ( -10.748 -8.742 -16.409) 21.475 16.881 ( -9.515 -13.968 -13.390) 21.562 18.545 ( 3.717 18.276 2.014) 18.759 18.852 ( 6.557 -9.988 9.721) 15.403 19.059 ( 6.944 11.899 8.526) 16.202 19.234 ( 6.593 -4.954 8.971) 12.185 19.425 ( -6.488 11.107 -7.031) 14.659 19.536 ( -2.942 0.057 -2.358) 3.771 20.332 ( 1.419 1.730 0.737) 2.356 20.356 ( 0.435 -0.659 2.111) 2.254 20.685 ( 1.763 4.568 -6.262) 7.949 20.741 ( -0.549 0.177 -4.314) 4.353 21.571 ( -2.699 6.878 -2.838) 7.915 21.852 ( -3.298 -19.662 7.029) 21.140 ======================= Grid point 75 (43/72) ======================= q-point: (-0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.594 3.895 3.901) 6.581 1.376 ( 9.008 -5.603 0.730) 10.634 1.499 ( 2.507 2.123 0.729) 3.365 1.519 ( 5.140 0.894 3.541) 6.306 1.601 ( 4.280 7.802 -0.471) 8.911 1.717 ( 2.722 -2.799 0.839) 3.993 1.851 ( -2.302 3.319 -0.432) 4.062 1.916 ( -0.431 -2.272 -0.019) 2.313 2.020 ( 1.238 0.667 1.640) 2.161 2.038 ( 0.513 -0.916 2.579) 2.785 2.103 ( 1.622 0.885 2.812) 3.365 2.131 ( 1.209 -2.009 1.227) 2.646 2.331 ( 1.364 1.261 2.427) 3.056 2.366 ( -0.140 -2.118 -0.588) 2.203 2.570 ( 11.081 3.457 15.729) 19.549 2.690 ( 8.804 -9.554 14.364) 19.368 2.771 ( -7.415 4.222 -4.828) 9.804 2.853 ( -9.199 -0.564 -1.926) 9.415 2.969 ( -8.101 0.976 -6.752) 10.591 3.066 ( -7.692 -6.163 -7.196) 12.204 3.306 ( 0.154 5.469 -3.446) 6.466 3.389 ( 1.205 1.932 -0.468) 2.325 3.542 ( -6.948 5.130 -12.836) 15.471 3.664 ( -5.183 -4.223 -8.038) 10.455 4.209 ( -0.350 9.047 -2.534) 9.401 4.252 ( -1.686 4.916 -3.171) 6.088 4.332 ( -3.365 -6.768 -1.890) 7.792 4.449 ( 1.149 -2.976 0.548) 3.237 4.595 ( -0.577 14.548 0.877) 14.586 4.738 ( -1.097 2.075 -1.097) 2.591 4.941 ( -2.337 2.121 -0.129) 3.158 5.113 ( 0.315 -3.453 -0.799) 3.558 5.161 ( -6.983 -7.642 2.645) 10.685 5.198 ( 0.837 -5.823 1.650) 6.110 5.410 ( -3.554 6.675 4.319) 8.708 5.566 ( -0.312 -7.365 5.115) 8.972 5.665 ( 3.830 1.626 -1.423) 4.397 5.736 ( -0.249 -4.264 0.378) 4.288 6.195 ( 2.329 1.235 -0.704) 2.729 6.226 ( 1.973 -1.827 -3.974) 4.798 6.400 ( 1.193 10.100 4.017) 10.935 6.547 ( 1.828 -1.666 3.235) 4.073 6.687 ( 5.611 0.692 2.154) 6.050 6.747 ( -2.139 -0.931 1.095) 2.577 6.852 ( -0.447 1.240 0.270) 1.346 6.940 ( -1.465 -3.605 -0.868) 3.987 7.042 ( -0.096 0.375 1.975) 2.013 7.084 ( 1.073 -4.143 0.719) 4.340 7.246 ( 0.240 3.610 2.386) 4.334 7.314 ( -0.012 -2.561 0.313) 2.580 7.402 ( 0.292 2.200 0.169) 2.226 7.422 ( 0.241 0.505 -0.744) 0.931 7.692 ( 2.487 2.504 -2.054) 4.083 7.727 ( 0.161 -0.258 -4.074) 4.085 8.004 ( -0.832 4.484 -0.317) 4.571 8.050 ( -4.303 -0.284 -1.164) 4.466 8.829 ( -3.134 5.048 -1.929) 6.247 8.993 ( -2.419 -10.250 -1.917) 10.705 9.266 ( 3.074 8.769 4.927) 10.518 9.365 ( 6.870 1.071 9.695) 11.931 9.439 ( -1.975 -1.063 -2.353) 3.250 9.528 ( -1.702 -8.960 -2.878) 9.564 9.830 ( 5.819 2.424 9.019) 11.003 9.880 ( 3.593 -1.547 6.127) 7.269 9.906 ( -1.911 -1.733 -1.890) 3.198 9.978 ( 1.134 -6.594 0.953) 6.758 10.367 ( 2.776 6.019 2.464) 7.071 10.479 ( 1.169 -3.930 0.111) 4.102 10.590 ( -2.775 16.115 -7.405) 17.950 10.736 ( -0.017 4.010 -1.630) 4.329 10.910 ( 3.484 3.761 0.347) 5.138 11.054 ( 3.538 2.541 1.564) 4.628 11.192 ( -4.012 -1.271 -10.312) 11.138 11.331 ( 0.896 5.678 -2.623) 6.319 11.445 ( -6.322 -13.407 -12.692) 19.514 11.572 ( -0.084 -10.111 -0.752) 10.140 12.273 ( 4.078 42.466 -0.423) 42.663 12.500 ( -2.820 36.746 -3.334) 37.005 12.999 ( 2.899 -18.625 5.404) 19.609 13.106 ( -0.620 -18.681 2.068) 18.805 13.308 ( -5.001 4.188 -2.904) 7.140 13.405 ( -4.391 -4.305 -4.631) 7.698 13.553 ( -1.346 3.318 0.940) 3.702 13.661 ( 0.366 -3.409 -0.465) 3.460 14.411 ( 5.142 4.829 7.047) 9.971 14.480 ( 4.936 -8.313 -0.504) 9.681 14.529 ( 4.923 -5.240 2.206) 7.521 14.622 ( 11.422 -10.428 -1.838) 15.575 15.455 ( 10.364 -12.292 16.494) 23.034 15.487 ( 13.215 -12.641 22.654) 29.115 15.779 ( 5.970 5.923 8.891) 12.238 16.020 ( -6.032 -7.145 -7.661) 12.089 16.140 ( -4.061 6.982 -3.218) 8.694 16.280 ( -13.828 10.219 -18.894) 25.546 16.380 ( -9.226 -7.296 -11.707) 16.595 16.687 ( -7.835 -18.902 -10.179) 22.854 18.624 ( 3.628 20.170 0.182) 20.495 18.972 ( 4.634 -12.284 5.665) 14.299 19.223 ( 6.087 10.400 9.671) 15.451 19.307 ( 0.040 9.765 -5.584) 11.249 19.316 ( -2.023 6.834 -2.089) 7.427 19.530 ( 3.141 -5.489 1.750) 6.562 20.383 ( 2.999 2.344 0.908) 3.914 20.407 ( 4.483 -0.107 0.496) 4.512 20.705 ( 0.239 3.520 -5.109) 6.209 20.737 ( 1.150 0.846 -3.315) 3.610 21.445 ( -9.426 4.714 -1.758) 10.684 21.696 ( -12.502 -19.669 8.319) 24.746 ======================= Grid point 76 (44/72) ======================= q-point: (-0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.425 10.400 2.728) 10.760 1.456 ( -0.010 -2.118 0.065) 2.119 1.548 ( 2.326 4.063 0.050) 4.682 1.619 ( 3.989 -1.265 1.124) 4.333 1.689 ( 0.747 6.166 -2.559) 6.717 1.773 ( -0.507 -1.102 -0.037) 1.214 1.836 ( 4.208 4.502 -0.029) 6.163 1.924 ( 2.900 -1.230 0.343) 3.168 2.057 ( 1.102 0.226 0.272) 1.157 2.078 ( 2.521 -0.948 1.633) 3.150 2.153 ( 3.538 0.653 1.611) 3.942 2.167 ( 2.414 -1.037 0.512) 2.677 2.350 ( -0.036 1.412 1.675) 2.191 2.369 ( 1.898 -0.707 2.627) 3.317 2.561 ( -10.107 2.272 -5.144) 11.566 2.631 ( -9.150 -2.060 -2.521) 9.712 2.729 ( -12.708 -0.465 -8.792) 15.460 2.769 ( -4.126 -4.320 -1.164) 6.086 2.816 ( 1.970 -0.934 3.388) 4.029 2.950 ( 3.108 -9.043 6.635) 11.639 3.381 ( 5.553 8.454 4.423) 11.039 3.419 ( 1.557 8.048 -1.146) 8.277 3.498 ( 3.963 0.813 4.707) 6.207 3.598 ( -1.106 -6.853 -4.696) 8.381 4.181 ( -3.002 3.035 -2.517) 4.955 4.216 ( 0.982 10.822 -0.646) 10.886 4.300 ( -0.810 -7.983 -0.172) 8.026 4.454 ( -0.147 -7.993 -1.871) 8.211 4.578 ( -1.292 17.719 1.015) 17.795 4.745 ( 0.064 -0.025 -3.545) 3.545 4.881 ( -3.150 -2.549 -1.306) 4.257 5.001 ( -6.684 -8.032 -1.142) 10.512 5.094 ( -1.377 0.624 -3.126) 3.472 5.189 ( -1.805 -2.472 -1.261) 3.310 5.332 ( -2.935 4.358 3.294) 6.202 5.501 ( -3.249 -9.384 2.108) 10.151 5.789 ( 3.465 5.867 2.717) 7.336 5.846 ( 9.403 -0.363 0.568) 9.427 6.183 ( -3.420 2.102 0.321) 4.027 6.254 ( 0.926 -2.695 -3.465) 4.486 6.437 ( 1.916 9.809 3.407) 10.559 6.586 ( 2.813 -0.132 0.357) 2.839 6.690 ( -1.052 -1.945 0.088) 2.213 6.769 ( 1.459 -7.416 1.218) 7.656 6.833 ( -1.044 6.569 1.677) 6.859 6.916 ( -2.314 -1.445 2.266) 3.546 7.025 ( -1.578 -0.099 0.036) 1.582 7.108 ( 1.443 -6.726 -1.546) 7.050 7.234 ( -1.632 4.025 1.396) 4.562 7.305 ( -1.247 -2.694 0.331) 2.987 7.446 ( 3.294 2.240 0.964) 4.099 7.453 ( 1.561 1.592 1.444) 2.657 7.675 ( -1.940 2.960 -3.931) 5.290 7.696 ( -1.814 2.313 -1.448) 3.276 8.001 ( -0.628 1.973 -0.307) 2.093 8.040 ( 2.935 -2.102 0.015) 3.610 8.767 ( -2.216 6.855 -0.821) 7.251 8.956 ( -0.878 -10.871 0.242) 10.909 9.267 ( -2.813 7.438 -4.038) 8.919 9.370 ( -4.821 -1.235 -6.789) 8.417 9.456 ( 2.680 1.315 4.508) 5.407 9.558 ( 3.494 -8.729 5.071) 10.683 9.847 ( -3.879 2.112 -4.459) 6.276 9.867 ( -1.820 -1.607 -1.267) 2.739 9.926 ( 0.792 -1.324 2.550) 2.981 9.994 ( -0.636 -6.425 -0.546) 6.480 10.364 ( -2.136 6.859 -4.976) 8.739 10.485 ( -0.196 -4.363 -1.850) 4.743 10.666 ( 9.400 18.968 9.393) 23.160 10.759 ( 0.810 5.262 0.199) 5.328 10.962 ( 0.953 7.940 -2.460) 8.367 11.074 ( -2.417 2.264 -6.564) 7.352 11.205 ( 4.203 -4.631 3.600) 7.216 11.349 ( 3.513 -3.798 1.066) 5.282 11.456 ( 7.119 -9.899 6.588) 13.859 11.591 ( 1.780 -10.279 0.743) 10.459 12.337 ( 2.004 36.568 -3.203) 36.763 12.496 ( 2.809 39.161 5.321) 39.621 13.003 ( -1.758 -11.916 -0.376) 12.051 13.076 ( -3.240 -21.579 -2.916) 22.015 13.233 ( -1.949 1.380 -2.495) 3.454 13.336 ( -0.975 -6.431 -2.880) 7.114 13.529 ( -0.948 4.486 2.549) 5.246 13.668 ( 0.164 -5.212 1.835) 5.528 14.482 ( -0.141 -4.764 4.703) 6.695 14.510 ( 1.230 2.536 5.818) 6.465 14.710 ( 8.224 -0.814 -6.395) 10.450 14.831 ( 9.516 -10.376 -7.733) 16.063 15.505 ( -10.494 -11.020 -12.823) 19.899 15.555 ( -9.383 -12.735 -11.967) 19.835 15.824 ( -8.131 4.535 -10.465) 14.007 15.918 ( 8.944 3.299 12.340) 15.594 16.097 ( -0.142 1.482 -0.284) 1.515 16.219 ( 10.168 -3.808 13.488) 17.316 16.301 ( 0.980 1.822 2.562) 3.293 16.657 ( 5.734 -19.489 9.354) 22.365 18.679 ( 1.765 18.483 -3.195) 18.840 19.019 ( -0.534 -14.185 -1.454) 14.269 19.170 ( -4.955 10.631 -10.766) 15.921 19.256 ( -4.178 2.252 -6.118) 7.743 19.482 ( 12.236 13.537 6.820) 19.480 19.639 ( 6.727 -1.797 4.823) 8.470 20.404 ( -1.834 6.742 2.845) 7.544 20.510 ( 4.120 -2.670 1.388) 5.102 20.702 ( 0.087 4.984 -4.171) 6.500 20.813 ( 6.620 -5.178 -2.496) 8.767 21.220 ( -11.706 1.894 0.230) 11.860 21.381 ( -17.611 -14.633 9.900) 24.946 ======================= Grid point 98 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -5.454 0.000 15.122) 16.075 1.008 ( 4.659 0.000 9.130) 10.250 1.224 ( -1.870 0.000 -0.766) 2.021 1.281 ( 6.642 0.000 -1.215) 6.752 1.542 ( 2.280 0.000 -1.254) 2.602 1.640 ( -2.004 0.000 3.409) 3.955 1.847 ( 6.258 0.000 18.430) 19.464 1.868 ( 5.316 0.000 4.865) 7.206 1.921 ( -1.489 0.000 -0.332) 1.526 2.031 ( -0.429 0.000 0.127) 0.447 2.087 ( 5.457 0.000 3.540) 6.504 2.225 ( -0.176 0.000 2.727) 2.732 2.289 ( -6.510 0.000 -3.180) 7.245 2.359 ( 2.188 0.000 -1.811) 2.841 2.393 ( 0.785 0.000 0.051) 0.787 2.457 ( 1.342 0.000 -1.117) 1.746 2.568 ( -5.014 0.000 -9.870) 11.070 2.641 ( 1.216 0.000 3.258) 3.477 2.785 ( -0.151 0.000 -5.701) 5.703 2.845 ( -0.781 0.000 -3.350) 3.440 3.467 ( 8.612 0.000 10.819) 13.829 3.496 ( -1.848 0.000 -2.301) 2.951 3.550 ( 0.332 0.000 0.547) 0.640 3.614 ( -3.821 0.000 -5.781) 6.930 3.798 ( 6.464 0.000 0.682) 6.500 4.057 ( -19.278 0.000 -19.998) 27.777 4.305 ( 9.118 0.000 9.966) 13.508 4.615 ( -6.179 0.000 -1.852) 6.451 4.772 ( 2.442 0.000 4.123) 4.792 4.790 ( 1.515 0.000 1.079) 1.860 4.879 ( -0.984 0.000 -7.088) 7.156 4.909 ( 1.003 0.000 -0.479) 1.112 5.321 ( -7.554 0.000 1.331) 7.671 5.426 ( 7.923 0.000 3.963) 8.859 5.468 ( -3.465 0.000 6.956) 7.771 5.609 ( -2.028 0.000 -4.594) 5.021 5.717 ( -7.844 0.000 -3.843) 8.735 5.868 ( 0.942 0.000 -7.822) 7.879 6.165 ( 7.692 0.000 4.120) 8.726 6.270 ( -5.976 0.000 -1.702) 6.214 6.393 ( 3.516 0.000 3.558) 5.002 6.582 ( -1.577 0.000 1.680) 2.304 6.620 ( -1.662 0.000 -0.195) 1.673 6.688 ( 1.348 0.000 -0.381) 1.401 6.756 ( -1.843 0.000 -1.038) 2.116 6.766 ( 1.394 0.000 -1.943) 2.392 6.865 ( 0.221 0.000 0.461) 0.511 7.070 ( 1.892 0.000 1.875) 2.663 7.152 ( -2.277 0.000 0.875) 2.439 7.238 ( -1.468 0.000 0.590) 1.582 7.386 ( -0.968 0.000 0.441) 1.064 7.529 ( 3.747 0.000 3.764) 5.311 7.581 ( -0.368 0.000 -0.489) 0.612 7.631 ( -1.475 0.000 -3.991) 4.254 7.802 ( 5.879 0.000 4.032) 7.129 8.038 ( -7.708 0.000 -5.616) 9.537 8.862 ( 2.196 0.000 1.231) 2.517 9.030 ( 0.207 0.000 0.101) 0.230 9.100 ( -0.348 0.000 -1.292) 1.338 9.194 ( -0.184 0.000 -0.755) 0.777 9.450 ( 3.397 0.000 3.416) 4.818 9.617 ( -3.037 0.000 -4.056) 5.067 9.755 ( 7.359 0.000 9.103) 11.706 9.969 ( 19.815 0.000 28.695) 34.872 9.983 ( -6.192 0.000 -6.716) 9.135 10.181 ( -0.733 0.000 -1.456) 1.630 10.255 ( -2.212 0.000 -1.711) 2.796 10.279 ( 4.695 0.000 4.835) 6.739 10.354 ( -0.056 0.000 -1.126) 1.128 10.613 ( 1.424 0.000 -0.622) 1.554 10.629 ( -0.020 0.000 0.210) 0.211 10.808 ( -27.116 0.000 -37.622) 46.375 10.923 ( 6.607 0.000 4.750) 8.137 11.058 ( 7.999 0.000 1.683) 8.174 11.218 ( 1.142 0.000 -3.493) 3.675 11.612 ( 2.895 0.000 -2.646) 3.922 11.916 ( -3.939 0.000 -2.806) 4.836 12.023 ( -3.844 0.000 -1.901) 4.289 13.016 ( -0.644 0.000 4.530) 4.575 13.133 ( 2.873 0.000 2.493) 3.804 13.199 ( 6.454 0.000 4.805) 8.046 13.311 ( 0.824 0.000 2.771) 2.891 13.371 ( -0.499 0.000 -2.283) 2.337 13.516 ( -7.130 0.000 -10.708) 12.864 14.737 ( 8.871 0.000 20.651) 22.476 14.852 ( 5.932 0.000 22.280) 23.056 15.116 ( 16.351 0.000 20.926) 26.557 15.230 ( 4.978 0.000 -14.330) 15.170 15.589 ( -16.263 0.000 -20.764) 26.375 15.597 ( -17.402 0.000 -30.523) 35.135 16.113 ( 10.228 0.000 14.160) 17.468 16.803 ( -5.891 0.000 -7.640) 9.648 16.846 ( 3.693 0.000 1.642) 4.041 16.883 ( -2.346 0.000 -1.123) 2.601 17.321 ( 1.242 0.000 1.841) 2.221 17.387 ( -3.303 0.000 -4.761) 5.794 17.944 ( 28.357 0.000 7.658) 29.373 18.152 ( -11.027 0.000 -4.852) 12.047 18.474 ( 7.737 0.000 11.858) 14.159 18.731 ( -5.657 0.000 -9.050) 10.672 18.769 ( 14.425 0.000 12.787) 19.276 19.398 ( -6.749 0.000 -8.888) 11.160 20.164 ( -1.963 0.000 3.637) 4.133 20.343 ( 1.831 0.000 -3.354) 3.821 20.813 ( 5.287 0.000 4.421) 6.892 20.926 ( -11.173 0.000 -5.890) 12.630 21.467 ( 2.085 0.000 3.217) 3.834 22.217 ( -18.593 0.000 -1.716) 18.672 ======================= Grid point 99 (46/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -3.010 0.000 -2.655) 4.014 1.050 ( 10.382 0.000 16.225) 19.262 1.238 ( 4.002 0.000 4.686) 6.162 1.442 ( 8.763 0.000 -8.106) 11.937 1.561 ( -5.494 0.000 3.706) 6.628 1.634 ( 6.518 0.000 -3.167) 7.247 1.849 ( -4.532 0.000 1.465) 4.762 1.944 ( 1.067 0.000 2.019) 2.283 1.990 ( -0.613 0.000 2.257) 2.339 2.018 ( 4.963 0.000 1.658) 5.233 2.049 ( -6.842 0.000 -11.165) 13.095 2.224 ( 0.366 0.000 1.372) 1.420 2.228 ( -1.093 0.000 7.042) 7.126 2.404 ( -1.024 0.000 -1.402) 1.737 2.424 ( 2.192 0.000 -1.868) 2.880 2.488 ( 4.260 0.000 -1.882) 4.658 2.518 ( 2.440 0.000 -4.283) 4.929 2.677 ( 1.608 0.000 0.554) 1.701 2.767 ( -0.731 0.000 -2.850) 2.942 2.860 ( 2.102 0.000 -1.064) 2.356 3.479 ( -11.104 0.000 -4.643) 12.036 3.487 ( 0.484 0.000 1.384) 1.466 3.558 ( -0.936 0.000 2.138) 2.334 3.594 ( 3.600 0.000 0.599) 3.649 3.709 ( -7.220 0.000 -13.257) 15.096 4.061 ( 15.435 0.000 17.020) 22.976 4.347 ( -8.477 0.000 -11.953) 14.654 4.467 ( -3.396 0.000 7.400) 8.142 4.815 ( 3.579 0.000 7.218) 8.057 4.830 ( 0.798 0.000 -3.042) 3.145 4.899 ( 1.904 0.000 1.178) 2.239 5.006 ( 9.314 0.000 -7.650) 12.053 5.163 ( -6.388 0.000 5.475) 8.413 5.413 ( -2.251 0.000 10.764) 10.997 5.522 ( -2.912 0.000 -6.654) 7.264 5.601 ( 5.932 0.000 5.520) 8.103 5.770 ( 6.055 0.000 5.756) 8.354 5.887 ( 1.230 0.000 -6.593) 6.707 6.109 ( -2.960 0.000 -1.727) 3.427 6.368 ( 6.414 0.000 3.378) 7.249 6.417 ( -1.243 0.000 -3.438) 3.656 6.521 ( -1.691 0.000 0.413) 1.740 6.609 ( 0.634 0.000 2.708) 2.781 6.725 ( -1.080 0.000 -1.628) 1.954 6.775 ( 5.679 0.000 2.008) 6.023 6.799 ( 1.104 0.000 0.492) 1.209 6.884 ( 2.292 0.000 -0.584) 2.366 7.076 ( -1.690 0.000 -1.922) 2.559 7.092 ( -2.898 0.000 2.952) 4.137 7.239 ( 1.890 0.000 4.037) 4.458 7.368 ( -0.920 0.000 1.960) 2.165 7.500 ( -9.310 0.000 -4.448) 10.318 7.573 ( -4.225 0.000 -2.308) 4.814 7.614 ( 5.290 0.000 1.826) 5.596 7.772 ( -4.931 0.000 -3.158) 5.856 8.068 ( 7.377 0.000 5.252) 9.055 8.870 ( -1.029 0.000 -2.889) 3.067 9.034 ( 0.181 0.000 -0.365) 0.408 9.103 ( 0.705 0.000 -0.403) 0.812 9.190 ( -0.129 0.000 -0.358) 0.381 9.464 ( -2.601 0.000 -4.251) 4.984 9.600 ( 2.066 0.000 2.946) 3.598 9.788 ( -5.509 0.000 -7.496) 9.302 9.969 ( 6.169 0.000 7.124) 9.424 10.132 ( -15.599 0.000 -22.476) 27.359 10.184 ( 0.986 0.000 0.259) 1.020 10.244 ( 5.096 0.000 7.197) 8.818 10.284 ( -9.786 0.000 -11.657) 15.221 10.332 ( -2.906 0.000 -2.054) 3.559 10.570 ( -5.937 0.000 -5.432) 8.047 10.612 ( 21.243 0.000 30.722) 37.351 10.617 ( -4.106 0.000 -2.211) 4.664 10.827 ( -9.909 0.000 -7.996) 12.733 11.002 ( -8.727 0.000 -7.793) 11.700 11.169 ( 0.356 0.000 2.878) 2.900 11.627 ( -1.446 0.000 -4.449) 4.678 11.854 ( -1.074 0.000 4.231) 4.365 12.117 ( 4.753 0.000 4.851) 6.791 12.971 ( -2.672 0.000 2.219) 3.473 13.186 ( -1.461 0.000 -5.005) 5.213 13.262 ( -0.424 0.000 -5.343) 5.360 13.343 ( 2.165 0.000 1.584) 2.682 13.377 ( 1.554 0.000 -2.022) 2.550 13.462 ( 4.857 0.000 6.463) 8.085 14.826 ( 7.599 0.000 13.538) 15.525 15.085 ( -15.465 0.000 -24.758) 29.191 15.204 ( -16.817 0.000 -21.860) 27.580 15.211 ( 13.076 0.000 3.012) 13.419 15.462 ( 5.424 0.000 7.379) 9.158 15.490 ( 15.567 0.000 21.777) 26.769 16.177 ( -5.303 0.000 -7.830) 9.457 16.769 ( 3.659 0.000 5.370) 6.499 16.812 ( -4.428 0.000 -1.022) 4.544 16.904 ( 1.810 0.000 -0.437) 1.862 17.334 ( -1.593 0.000 -2.296) 2.795 17.362 ( 2.438 0.000 3.583) 4.334 17.786 ( -18.657 0.000 -18.940) 26.586 18.365 ( 7.733 0.000 -0.567) 7.754 18.543 ( -4.998 0.000 -7.301) 8.848 18.673 ( 3.875 0.000 5.866) 7.031 18.811 ( -9.270 0.000 -14.095) 16.870 19.672 ( 21.775 0.000 -0.625) 21.784 20.131 ( -1.287 0.000 3.917) 4.123 20.380 ( 1.788 0.000 -3.518) 3.947 20.610 ( -12.333 0.000 6.509) 13.945 20.886 ( -6.805 0.000 2.704) 7.322 21.049 ( -11.501 0.000 5.871) 12.913 22.453 ( 21.685 0.000 17.070) 27.598 ======================= Grid point 100 (47/72) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -8.923 0.000 -3.871) 9.726 1.284 ( 10.485 0.000 10.947) 15.158 1.339 ( 4.692 0.000 3.967) 6.145 1.443 ( -5.765 0.000 1.073) 5.864 1.593 ( 5.884 0.000 -9.542) 11.210 1.728 ( -0.293 0.000 -2.904) 2.919 1.787 ( 0.620 0.000 2.013) 2.106 1.812 ( -9.766 0.000 -6.461) 11.709 1.974 ( 0.059 0.000 -3.310) 3.310 2.037 ( 2.492 0.000 -8.450) 8.810 2.043 ( -1.907 0.000 -3.833) 4.281 2.188 ( -2.224 0.000 3.797) 4.400 2.234 ( -0.419 0.000 -4.474) 4.494 2.413 ( -3.449 0.000 -3.287) 4.765 2.416 ( 1.934 0.000 -0.834) 2.106 2.524 ( -0.590 0.000 1.579) 1.685 2.644 ( 5.009 0.000 -2.794) 5.735 2.706 ( 4.393 0.000 -8.904) 9.928 2.789 ( 2.560 0.000 2.579) 3.634 2.930 ( 3.991 0.000 9.841) 10.619 3.153 ( -13.350 0.000 -11.017) 17.309 3.525 ( 4.129 0.000 6.269) 7.507 3.581 ( 2.397 0.000 8.157) 8.502 3.639 ( 1.037 0.000 -5.168) 5.271 3.755 ( 5.784 0.000 6.183) 8.467 4.132 ( -10.184 0.000 -11.998) 15.737 4.332 ( 10.048 0.000 14.932) 17.998 4.370 ( -6.936 0.000 -3.253) 7.661 4.797 ( -1.556 0.000 -5.011) 5.247 4.921 ( 5.327 0.000 11.080) 12.295 5.007 ( 4.063 0.000 2.664) 4.858 5.123 ( 4.275 0.000 1.136) 4.423 5.186 ( 7.727 0.000 -6.931) 10.380 5.394 ( 0.646 0.000 10.246) 10.266 5.469 ( -2.271 0.000 -4.170) 4.748 5.674 ( -1.569 0.000 6.852) 7.029 5.766 ( -0.354 0.000 5.073) 5.085 5.910 ( 1.099 0.000 -3.722) 3.880 6.197 ( 5.989 0.000 3.942) 7.170 6.370 ( -2.613 0.000 -6.058) 6.598 6.439 ( 3.923 0.000 3.774) 5.443 6.540 ( 0.807 0.000 -3.695) 3.782 6.633 ( 1.400 0.000 3.516) 3.785 6.708 ( -0.627 0.000 -1.377) 1.513 6.798 ( -0.951 0.000 -0.179) 0.967 6.893 ( 5.363 0.000 9.343) 10.773 6.937 ( 1.065 0.000 -4.078) 4.214 7.040 ( -0.054 0.000 2.379) 2.380 7.069 ( 1.224 0.000 -3.427) 3.639 7.203 ( -17.156 0.000 -6.099) 18.207 7.294 ( 2.738 0.000 2.552) 3.743 7.351 ( -0.713 0.000 3.806) 3.872 7.479 ( -3.155 0.000 -3.103) 4.425 7.721 ( 1.821 0.000 2.534) 3.120 7.803 ( 8.666 0.000 4.678) 9.848 8.115 ( -4.325 0.000 -2.370) 4.932 8.857 ( 0.464 0.000 -3.848) 3.876 9.036 ( 0.071 0.000 -0.570) 0.575 9.126 ( 1.420 0.000 0.155) 1.428 9.189 ( -0.017 0.000 -0.306) 0.306 9.379 ( -5.098 0.000 -7.279) 8.886 9.655 ( -6.566 0.000 -10.318) 12.230 9.663 ( 1.856 0.000 2.063) 2.775 9.714 ( -17.586 0.000 -23.718) 29.526 10.082 ( -16.662 0.000 -16.987) 23.794 10.106 ( 4.622 0.000 4.446) 6.413 10.186 ( -2.869 0.000 -2.488) 3.798 10.213 ( 1.111 0.000 1.481) 1.851 10.316 ( 2.204 0.000 2.409) 3.265 10.433 ( -0.991 0.000 -0.725) 1.228 10.577 ( -0.743 0.000 -0.385) 0.837 10.781 ( 0.968 0.000 -0.375) 1.038 10.817 ( -8.165 0.000 -7.812) 11.300 11.144 ( 27.433 0.000 40.078) 48.568 11.212 ( 1.938 0.000 7.163) 7.421 11.560 ( -4.315 0.000 -6.155) 7.517 11.861 ( 1.441 0.000 6.898) 7.047 12.157 ( 0.352 0.000 11.545) 11.550 12.925 ( -1.916 0.000 -1.009) 2.165 13.060 ( -7.003 0.000 -9.424) 11.741 13.293 ( 1.736 0.000 -1.957) 2.616 13.382 ( 1.416 0.000 -2.035) 2.479 13.427 ( 2.500 0.000 -0.260) 2.514 13.572 ( 2.631 0.000 3.967) 4.760 14.750 ( -11.221 0.000 -29.230) 31.310 14.884 ( -11.871 0.000 -15.264) 19.336 15.072 ( -5.475 0.000 0.509) 5.499 15.139 ( 5.472 0.000 14.119) 15.143 15.791 ( 11.311 0.000 16.198) 19.756 15.830 ( 21.992 0.000 26.323) 34.301 15.964 ( -11.949 0.000 -17.029) 20.803 16.713 ( -5.374 0.000 -2.501) 5.928 16.893 ( 6.469 0.000 9.245) 11.283 16.906 ( -1.615 0.000 -1.125) 1.968 17.310 ( -0.673 0.000 -0.980) 1.189 17.410 ( -17.032 0.000 -21.802) 27.666 17.432 ( 4.211 0.000 6.131) 7.438 18.369 ( -5.492 0.000 -5.226) 7.581 18.384 ( -8.690 0.000 -12.578) 15.287 18.593 ( -9.450 0.000 -10.085) 13.821 18.779 ( 4.877 0.000 7.348) 8.819 19.801 ( -1.601 0.000 16.939) 17.014 20.118 ( -0.111 0.000 2.327) 2.329 20.406 ( 0.845 0.000 -2.041) 2.209 20.603 ( -3.588 0.000 -0.427) 3.613 20.766 ( 6.660 0.000 -8.904) 11.119 21.063 ( 4.741 0.000 0.398) 4.757 22.823 ( 13.941 0.000 16.005) 21.225 ======================= Grid point 101 (48/72) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -5.773 0.000 -1.984) 6.104 1.332 ( -3.372 0.000 3.223) 4.665 1.435 ( 3.454 0.000 4.858) 5.961 1.437 ( 3.668 0.000 -0.884) 3.773 1.626 ( -7.803 0.000 -6.098) 9.903 1.628 ( -1.521 0.000 -7.833) 7.979 1.732 ( 1.900 0.000 -1.373) 2.344 1.787 ( -1.753 0.000 0.496) 1.822 1.953 ( -4.666 0.000 -15.852) 16.524 2.000 ( -0.137 0.000 1.574) 1.580 2.059 ( -0.858 0.000 -5.430) 5.497 2.163 ( -0.222 0.000 -0.830) 0.859 2.205 ( -0.169 0.000 4.546) 4.549 2.338 ( -2.438 0.000 -1.904) 3.094 2.428 ( -1.266 0.000 -1.920) 2.300 2.484 ( -1.779 0.000 -2.597) 3.148 2.689 ( 2.633 0.000 -6.042) 6.591 2.806 ( 0.173 0.000 -4.460) 4.463 2.837 ( 1.692 0.000 3.328) 3.733 2.940 ( -1.864 0.000 14.572) 14.691 3.105 ( 5.568 0.000 -6.483) 8.546 3.640 ( -0.386 0.000 -3.666) 3.686 3.643 ( 3.336 0.000 8.318) 8.962 3.668 ( 9.170 0.000 10.862) 14.215 3.844 ( 2.638 0.000 5.602) 6.192 3.956 ( -6.627 0.000 -9.649) 11.706 4.207 ( -8.442 0.000 -9.694) 12.855 4.488 ( 5.233 0.000 7.512) 9.155 4.777 ( 0.017 0.000 -1.837) 1.837 5.004 ( 1.970 0.000 10.513) 10.696 5.076 ( 3.683 0.000 1.248) 3.889 5.190 ( -1.543 0.000 -5.953) 6.150 5.267 ( 1.168 0.000 0.061) 1.170 5.469 ( 2.593 0.000 -0.889) 2.741 5.471 ( 5.810 0.000 -1.066) 5.907 5.596 ( -3.383 0.000 5.585) 6.530 5.853 ( 7.361 0.000 11.722) 13.842 5.921 ( -0.114 0.000 -0.695) 0.704 6.237 ( -1.013 0.000 -1.932) 2.182 6.318 ( -2.422 0.000 -4.419) 5.039 6.470 ( -5.561 0.000 -2.896) 6.270 6.556 ( 4.146 0.000 2.869) 5.042 6.665 ( 1.628 0.000 2.976) 3.392 6.701 ( 0.155 0.000 -1.154) 1.164 6.763 ( -2.345 0.000 -2.152) 3.183 6.888 ( -6.972 0.000 -5.834) 9.090 6.921 ( -0.800 0.000 -1.625) 1.811 6.994 ( -1.954 0.000 12.473) 12.625 7.074 ( 1.506 0.000 3.588) 3.891 7.208 ( 13.546 0.000 -3.827) 14.076 7.319 ( -0.319 0.000 0.573) 0.656 7.363 ( 1.753 0.000 3.511) 3.925 7.447 ( -0.535 0.000 -1.485) 1.578 7.696 ( -5.726 0.000 0.825) 5.785 7.923 ( -4.882 0.000 -0.878) 4.960 8.032 ( 5.714 0.000 -0.678) 5.754 8.860 ( -0.728 0.000 -3.325) 3.404 9.036 ( -0.082 0.000 -0.426) 0.434 9.145 ( -0.673 0.000 -2.772) 2.853 9.184 ( -0.685 0.000 -1.058) 1.261 9.259 ( -5.267 0.000 -7.531) 9.190 9.419 ( -8.182 0.000 -10.951) 13.670 9.533 ( -4.861 0.000 -8.652) 9.924 9.737 ( 2.876 0.000 3.392) 4.447 9.795 ( -9.099 0.000 -11.787) 14.891 10.137 ( -1.884 0.000 -2.146) 2.856 10.199 ( 2.580 0.000 1.560) 3.015 10.234 ( 1.276 0.000 3.417) 3.647 10.347 ( 0.875 0.000 1.446) 1.690 10.446 ( 1.343 0.000 2.458) 2.801 10.569 ( -0.077 0.000 -1.017) 1.020 10.684 ( -4.587 0.000 -5.802) 7.396 10.800 ( 0.587 0.000 0.692) 0.907 11.243 ( 1.317 0.000 6.405) 6.539 11.481 ( -2.881 0.000 -5.770) 6.450 11.691 ( 24.243 0.000 35.576) 43.051 11.904 ( 2.092 0.000 4.053) 4.561 12.185 ( 2.692 0.000 14.354) 14.605 12.879 ( -3.114 0.000 -6.363) 7.084 12.957 ( -2.311 0.000 -3.719) 4.379 13.308 ( -0.300 0.000 0.462) 0.551 13.381 ( -1.818 0.000 -3.595) 4.029 13.449 ( -0.245 0.000 -0.995) 1.025 13.507 ( -8.308 0.000 -11.687) 14.339 14.627 ( -1.067 0.000 -15.687) 15.724 14.732 ( -16.072 0.000 -2.098) 16.209 14.782 ( 1.954 0.000 3.230) 3.775 15.486 ( 18.017 0.000 24.441) 30.365 15.638 ( -14.177 0.000 -20.629) 25.031 16.038 ( 7.912 0.000 12.035) 14.403 16.217 ( 13.314 0.000 13.026) 18.626 16.580 ( -7.580 0.000 -6.641) 10.078 16.853 ( -2.587 0.000 -2.235) 3.419 17.000 ( 3.722 0.000 5.558) 6.690 17.136 ( -8.591 0.000 -11.843) 14.631 17.304 ( -0.070 0.000 -0.080) 0.106 17.527 ( 4.631 0.000 6.673) 8.122 18.183 ( -10.455 0.000 -14.822) 18.138 18.211 ( -7.586 0.000 -10.743) 13.151 18.487 ( -1.530 0.000 3.290) 3.629 18.860 ( 2.939 0.000 4.107) 5.051 19.820 ( 2.903 0.000 10.988) 11.365 20.127 ( 0.888 0.000 -0.021) 0.888 20.410 ( -0.471 0.000 0.062) 0.475 20.510 ( -2.627 0.000 -0.036) 2.627 20.833 ( -2.437 0.000 7.572) 7.955 21.200 ( 7.284 0.000 -17.585) 19.034 23.034 ( 7.099 0.000 9.609) 11.947 ======================= Grid point 102 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 3.465 0.000 0.367) 3.484 1.304 ( -0.170 0.000 2.983) 2.988 1.377 ( -8.744 0.000 4.536) 9.851 1.460 ( -1.622 0.000 -1.283) 2.068 1.563 ( 2.851 0.000 -0.251) 2.862 1.607 ( 0.326 0.000 -2.637) 2.657 1.727 ( -3.503 0.000 -2.202) 4.138 1.759 ( -0.415 0.000 0.414) 0.586 1.876 ( 0.467 0.000 -3.610) 3.640 2.005 ( -3.455 0.000 0.542) 3.498 2.020 ( 0.618 0.000 -0.557) 0.832 2.183 ( 2.551 0.000 -3.162) 4.063 2.233 ( 0.788 0.000 3.710) 3.793 2.330 ( 1.170 0.000 -1.639) 2.014 2.388 ( -1.359 0.000 0.576) 1.476 2.466 ( -0.094 0.000 -2.168) 2.170 2.710 ( -2.032 0.000 -7.120) 7.405 2.762 ( -5.914 0.000 2.874) 6.576 2.853 ( -0.294 0.000 2.023) 2.044 2.866 ( -1.201 0.000 8.649) 8.732 3.177 ( -0.306 0.000 -4.437) 4.447 3.641 ( 0.082 0.000 -2.730) 2.731 3.720 ( 3.358 0.000 6.010) 6.884 3.804 ( 1.007 0.000 -0.823) 1.300 3.889 ( -0.952 0.000 -3.911) 4.025 3.896 ( 2.927 0.000 1.112) 3.131 4.090 ( 1.717 0.000 -3.758) 4.132 4.547 ( 1.125 0.000 0.656) 1.302 4.782 ( -1.073 0.000 -1.219) 1.624 4.998 ( -2.740 0.000 9.606) 9.989 5.111 ( -2.434 0.000 -0.114) 2.437 5.136 ( -0.148 0.000 -3.974) 3.977 5.275 ( -0.437 0.000 -0.643) 0.777 5.431 ( -4.296 0.000 2.879) 5.171 5.567 ( 3.232 0.000 -8.284) 8.892 5.625 ( 4.070 0.000 2.943) 5.023 5.902 ( -1.714 0.000 0.788) 1.886 6.039 ( 7.010 0.000 0.218) 7.013 6.179 ( -1.537 0.000 -2.577) 3.000 6.270 ( -1.991 0.000 -0.104) 1.994 6.406 ( 0.570 0.000 4.322) 4.360 6.600 ( -0.296 0.000 -1.473) 1.503 6.698 ( 1.308 0.000 2.348) 2.688 6.714 ( 0.294 0.000 -0.446) 0.534 6.722 ( -0.203 0.000 -2.730) 2.737 6.838 ( 2.439 0.000 0.375) 2.467 6.913 ( -0.447 0.000 0.007) 0.447 6.937 ( -4.539 0.000 9.862) 10.856 7.077 ( -1.205 0.000 2.880) 3.122 7.310 ( -0.554 0.000 1.406) 1.511 7.366 ( -5.703 0.000 -13.062) 14.253 7.396 ( 1.251 0.000 0.363) 1.302 7.431 ( -0.510 0.000 0.263) 0.573 7.669 ( 12.162 0.000 4.421) 12.941 7.871 ( -0.048 0.000 2.148) 2.148 8.070 ( -4.357 0.000 -3.178) 5.393 8.834 ( -1.542 0.000 -1.410) 2.089 9.032 ( -0.307 0.000 -0.104) 0.324 9.089 ( -1.479 0.000 -2.843) 3.205 9.173 ( 0.416 0.000 -0.161) 0.446 9.228 ( -0.007 0.000 -0.630) 0.630 9.336 ( -0.355 0.000 -1.629) 1.667 9.461 ( -1.854 0.000 -2.717) 3.289 9.693 ( -1.357 0.000 -1.574) 2.078 9.774 ( 0.504 0.000 0.044) 0.506 10.117 ( 0.120 0.000 -0.421) 0.437 10.207 ( -0.770 0.000 0.528) 0.934 10.267 ( 0.877 0.000 0.618) 1.073 10.353 ( -0.337 0.000 0.863) 0.927 10.473 ( 0.900 0.000 1.468) 1.722 10.569 ( 0.109 0.000 -1.560) 1.564 10.631 ( -0.313 0.000 -1.636) 1.665 10.801 ( -0.514 0.000 0.669) 0.844 11.290 ( 3.344 0.000 4.168) 5.344 11.438 ( -1.437 0.000 -4.048) 4.295 11.932 ( 0.615 0.000 0.460) 0.768 12.047 ( 6.498 0.000 10.226) 12.116 12.275 ( 4.958 0.000 8.254) 9.628 12.815 ( -1.724 0.000 -3.678) 4.062 12.942 ( 0.377 0.000 -3.024) 3.047 13.282 ( -2.272 0.000 2.866) 3.657 13.328 ( -2.159 0.000 -0.394) 2.195 13.364 ( -1.357 0.000 -4.993) 5.174 13.429 ( -1.455 0.000 0.944) 1.734 14.392 ( -12.607 0.000 5.505) 13.756 14.763 ( 8.958 0.000 -4.004) 9.812 14.870 ( 2.782 0.000 3.719) 4.644 15.417 ( -4.384 0.000 -6.234) 7.621 15.776 ( 5.319 0.000 9.293) 10.708 16.138 ( 1.454 0.000 2.655) 3.027 16.233 ( -5.316 0.000 -8.312) 9.866 16.545 ( 2.169 0.000 3.743) 4.326 16.838 ( 1.153 0.000 -1.263) 1.710 17.044 ( 0.513 0.000 1.233) 1.335 17.045 ( -1.189 0.000 -0.880) 1.479 17.304 ( -0.022 0.000 0.104) 0.106 17.597 ( 1.308 0.000 1.712) 2.154 18.032 ( -2.514 0.000 -3.582) 4.377 18.103 ( -1.906 0.000 -2.309) 2.994 18.493 ( 1.320 0.000 3.666) 3.897 18.898 ( 0.734 0.000 0.415) 0.843 19.900 ( 4.212 0.000 3.250) 5.320 20.151 ( 1.508 0.000 -2.300) 2.750 20.388 ( -1.705 0.000 2.143) 2.739 20.519 ( 3.615 0.000 -0.819) 3.707 20.718 ( -8.224 0.000 11.168) 13.869 21.286 ( 1.723 0.000 -18.250) 18.331 23.126 ( 1.828 0.000 1.130) 2.149 ======================= Grid point 103 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 5.241 0.000 5.262) 7.427 1.210 ( -6.208 0.000 16.909) 18.013 1.295 ( -0.858 0.000 5.329) 5.398 1.484 ( 4.469 0.000 -1.732) 4.793 1.552 ( -8.309 0.000 -4.721) 9.557 1.637 ( -5.224 0.000 2.202) 5.669 1.652 ( 4.884 0.000 5.879) 7.643 1.794 ( 4.415 0.000 2.105) 4.891 1.880 ( -1.767 0.000 0.240) 1.783 1.955 ( -0.993 0.000 0.964) 1.384 2.001 ( -2.464 0.000 4.097) 4.781 2.206 ( -1.999 0.000 0.717) 2.124 2.264 ( 5.181 0.000 -3.584) 6.300 2.363 ( 1.835 0.000 1.222) 2.205 2.382 ( 0.440 0.000 3.268) 3.298 2.507 ( 4.022 0.000 2.296) 4.631 2.579 ( -7.775 0.000 2.582) 8.193 2.665 ( -1.890 0.000 -5.549) 5.862 2.827 ( -2.066 0.000 -0.882) 2.246 2.940 ( 4.695 0.000 2.328) 5.241 3.114 ( -3.224 0.000 -2.519) 4.091 3.616 ( -2.304 0.000 -0.749) 2.422 3.694 ( -5.126 0.000 -7.199) 8.838 3.787 ( -5.160 0.000 -11.958) 13.023 3.896 ( 7.818 0.000 9.154) 12.038 3.920 ( -2.176 0.000 -7.780) 8.079 4.284 ( 12.752 0.000 5.299) 13.809 4.539 ( -2.548 0.000 -5.337) 5.914 4.718 ( -3.254 0.000 1.820) 3.728 4.922 ( -4.640 0.000 8.449) 9.639 5.026 ( -6.063 0.000 1.603) 6.271 5.161 ( 3.148 0.000 -4.688) 5.647 5.217 ( -5.886 0.000 -6.342) 8.652 5.393 ( 0.432 0.000 3.535) 3.561 5.588 ( -0.825 0.000 -6.973) 7.022 5.719 ( 5.605 0.000 1.762) 5.875 5.865 ( -1.417 0.000 -1.270) 1.903 5.989 ( -6.787 0.000 -13.946) 15.510 6.240 ( -0.583 0.000 0.369) 0.690 6.256 ( 0.889 0.000 4.424) 4.513 6.457 ( 2.856 0.000 3.816) 4.766 6.510 ( -6.925 0.000 -2.927) 7.518 6.687 ( -1.102 0.000 -0.848) 1.391 6.738 ( 1.080 0.000 -1.559) 1.896 6.749 ( 1.960 0.000 1.112) 2.253 6.838 ( -3.475 0.000 10.927) 11.466 6.896 ( -1.164 0.000 0.158) 1.174 7.008 ( 11.773 0.000 3.506) 12.284 7.044 ( -1.636 0.000 2.038) 2.614 7.276 ( 0.274 0.000 -10.311) 10.315 7.296 ( -0.913 0.000 1.331) 1.614 7.411 ( 0.182 0.000 -0.863) 0.882 7.431 ( 1.185 0.000 1.353) 1.799 7.789 ( -2.556 0.000 -3.649) 4.455 7.895 ( -9.207 0.000 -4.139) 10.094 8.030 ( 12.033 0.000 5.873) 13.390 8.790 ( -2.196 0.000 2.194) 3.105 9.027 ( -0.130 0.000 0.477) 0.494 9.112 ( 1.846 0.000 2.443) 3.062 9.195 ( 0.822 0.000 -0.947) 1.254 9.240 ( 3.106 0.000 3.095) 4.385 9.390 ( 5.279 0.000 5.845) 7.877 9.478 ( 3.825 0.000 5.833) 6.975 9.754 ( 9.057 0.000 11.004) 14.252 9.756 ( -2.111 0.000 -3.555) 4.135 10.142 ( 2.204 0.000 1.755) 2.817 10.181 ( -2.041 0.000 -1.393) 2.472 10.256 ( -1.838 0.000 -1.615) 2.446 10.336 ( -1.294 0.000 0.235) 1.316 10.466 ( -1.395 0.000 -2.511) 2.872 10.580 ( 1.023 0.000 -0.436) 1.112 10.682 ( 5.276 0.000 4.363) 6.846 10.779 ( -1.696 0.000 0.251) 1.715 11.346 ( 0.004 0.000 -4.634) 4.634 11.437 ( 2.986 0.000 4.394) 5.312 11.883 ( -19.547 0.000 -27.737) 33.932 11.936 ( -0.018 0.000 -1.489) 1.489 12.338 ( 0.071 0.000 -3.971) 3.971 12.845 ( 3.880 0.000 4.934) 6.277 12.981 ( 3.656 0.000 -0.040) 3.656 13.223 ( -3.536 0.000 4.603) 5.804 13.307 ( -0.650 0.000 4.559) 4.606 13.410 ( -0.347 0.000 2.336) 2.362 13.480 ( 9.704 0.000 8.600) 12.967 14.255 ( 0.026 0.000 15.958) 15.958 14.826 ( -4.088 0.000 -6.877) 8.000 14.925 ( 5.142 0.000 7.990) 9.502 15.521 ( 12.112 0.000 17.554) 21.327 15.587 ( -17.351 0.000 -21.790) 27.854 16.095 ( -5.636 0.000 -7.288) 9.213 16.226 ( -4.266 0.000 -6.072) 7.420 16.582 ( 5.612 0.000 7.054) 9.014 16.882 ( 2.471 0.000 0.625) 2.549 17.022 ( -2.721 0.000 -3.095) 4.121 17.081 ( 5.684 0.000 8.049) 9.854 17.302 ( -0.069 0.000 0.076) 0.102 17.566 ( -3.795 0.000 -5.675) 6.827 18.097 ( 7.756 0.000 11.740) 14.070 18.149 ( 5.727 0.000 8.808) 10.506 18.525 ( 1.300 0.000 3.135) 3.394 18.889 ( -1.576 0.000 -3.309) 3.665 19.934 ( -3.788 0.000 2.153) 4.357 20.181 ( 1.425 0.000 -3.374) 3.663 20.348 ( -2.099 0.000 3.205) 3.831 20.576 ( -1.957 0.000 1.986) 2.788 20.670 ( 11.001 0.000 -0.900) 11.038 21.260 ( -3.528 0.000 -14.300) 14.728 23.093 ( -5.911 0.000 -9.519) 11.205 ======================= Grid point 104 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 3.861 0.000 11.581) 12.207 1.159 ( -2.202 0.000 20.906) 21.022 1.268 ( -14.268 0.000 -2.557) 14.495 1.269 ( -2.044 0.000 0.781) 2.188 1.551 ( -2.936 0.000 3.172) 4.322 1.607 ( 5.710 0.000 -0.220) 5.714 1.750 ( 4.978 0.000 11.810) 12.816 1.808 ( -2.706 0.000 14.608) 14.856 1.902 ( 3.474 0.000 -1.765) 3.897 1.979 ( 3.590 0.000 -1.082) 3.749 1.990 ( 2.655 0.000 1.757) 3.184 2.212 ( 1.480 0.000 0.593) 1.594 2.354 ( 2.910 0.000 -0.486) 2.950 2.381 ( -0.903 0.000 -0.238) 0.933 2.391 ( -2.146 0.000 1.791) 2.795 2.444 ( -2.777 0.000 -2.858) 3.985 2.585 ( 2.754 0.000 4.470) 5.250 2.652 ( -0.686 0.000 -6.562) 6.598 2.790 ( -0.934 0.000 -4.000) 4.108 2.913 ( -5.267 0.000 -3.332) 6.233 3.221 ( 12.207 0.000 9.909) 15.723 3.568 ( -1.962 0.000 0.013) 1.962 3.572 ( -5.425 0.000 -8.357) 9.964 3.696 ( -3.962 0.000 -8.654) 9.518 3.815 ( -5.533 0.000 -11.158) 12.454 4.091 ( 10.624 0.000 11.502) 15.658 4.394 ( -12.302 0.000 -13.596) 18.335 4.530 ( 10.717 0.000 1.222) 10.786 4.719 ( 2.638 0.000 5.797) 6.369 4.830 ( -4.602 0.000 7.277) 8.610 4.909 ( -3.532 0.000 1.633) 3.891 5.040 ( -10.433 0.000 -10.900) 15.089 5.260 ( 6.533 0.000 -4.595) 7.987 5.409 ( -0.002 0.000 3.598) 3.598 5.539 ( -3.453 0.000 0.632) 3.510 5.767 ( -9.096 0.000 -9.707) 13.303 5.856 ( 0.441 0.000 -5.727) 5.744 5.865 ( -0.110 0.000 -4.019) 4.020 6.088 ( -7.263 0.000 0.081) 7.264 6.309 ( 3.856 0.000 5.933) 7.076 6.404 ( -5.458 0.000 0.067) 5.458 6.528 ( 4.260 0.000 -0.245) 4.267 6.658 ( -1.806 0.000 -1.061) 2.095 6.749 ( 0.469 0.000 -3.015) 3.051 6.755 ( -5.248 0.000 3.297) 6.198 6.780 ( 0.321 0.000 1.021) 1.070 6.871 ( -1.080 0.000 0.748) 1.314 7.035 ( 0.899 0.000 2.129) 2.311 7.160 ( 2.036 0.000 -2.189) 2.990 7.271 ( -1.574 0.000 0.366) 1.616 7.395 ( 9.048 0.000 3.903) 9.854 7.404 ( -0.720 0.000 -0.685) 0.994 7.520 ( 7.481 0.000 2.811) 7.991 7.666 ( -6.377 0.000 -3.360) 7.208 7.782 ( -2.784 0.000 -3.257) 4.285 8.157 ( -1.016 0.000 -2.462) 2.663 8.797 ( 2.977 0.000 3.971) 4.963 9.027 ( 0.052 0.000 0.412) 0.415 9.114 ( -0.831 0.000 -1.350) 1.586 9.198 ( -0.157 0.000 -1.313) 1.323 9.356 ( 5.809 0.000 6.419) 8.657 9.581 ( 13.527 0.000 19.079) 23.388 9.599 ( 7.192 0.000 9.547) 11.953 9.701 ( -2.276 0.000 -3.954) 4.563 10.108 ( -5.027 0.000 -4.999) 7.089 10.157 ( 27.573 0.000 17.976) 32.915 10.198 ( 3.180 0.000 2.839) 4.263 10.212 ( -1.949 0.000 -1.869) 2.700 10.303 ( -1.924 0.000 -0.641) 2.028 10.453 ( 2.964 0.000 0.420) 2.994 10.607 ( 1.740 0.000 -0.079) 1.741 10.747 ( -0.060 0.000 1.318) 1.319 10.827 ( 8.339 0.000 7.989) 11.548 11.290 ( -4.331 0.000 -6.865) 8.117 11.380 ( -27.310 0.000 -38.854) 47.492 11.533 ( 4.813 0.000 5.108) 7.018 11.934 ( -0.127 0.000 -2.944) 2.947 12.245 ( -9.540 0.000 -8.091) 12.509 12.945 ( 5.473 0.000 6.943) 8.841 13.076 ( 5.480 0.000 0.565) 5.509 13.152 ( -3.426 0.000 5.137) 6.174 13.300 ( 0.101 0.000 3.356) 3.357 13.394 ( -1.447 0.000 -0.336) 1.485 13.608 ( 0.515 0.000 -1.816) 1.888 14.422 ( 14.337 0.000 27.609) 31.109 14.846 ( 7.811 0.000 8.689) 11.684 14.930 ( -4.751 0.000 15.563) 16.272 15.264 ( -10.771 0.000 -19.392) 22.182 15.794 ( 8.907 0.000 13.299) 16.006 15.931 ( -6.021 0.000 -7.717) 9.788 15.973 ( -17.027 0.000 -26.446) 31.453 16.744 ( 6.893 0.000 6.810) 9.690 16.907 ( -0.054 0.000 -0.321) 0.325 16.934 ( -5.734 0.000 -7.223) 9.222 17.305 ( 0.398 0.000 0.674) 0.783 17.357 ( 22.558 0.000 21.733) 31.323 17.472 ( -4.698 0.000 -6.855) 8.310 18.260 ( 4.009 0.000 10.907) 11.621 18.302 ( 8.419 0.000 12.757) 15.284 18.554 ( 3.643 0.000 8.283) 9.048 18.832 ( -3.886 0.000 -6.746) 7.785 19.698 ( -17.214 0.000 -2.024) 17.332 20.193 ( -0.535 0.000 -0.327) 0.627 20.322 ( -0.125 0.000 0.350) 0.372 20.661 ( 7.996 0.000 -0.164) 7.998 21.015 ( 20.687 0.000 -5.193) 21.329 21.150 ( -4.208 0.000 -6.772) 7.972 22.813 ( -23.577 0.000 -18.586) 30.022 ======================= Grid point 105 (52/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -3.345 5.523 12.146) 13.756 1.153 ( 3.880 11.312 7.640) 14.191 1.273 ( 0.845 5.148 -0.271) 5.224 1.379 ( 1.522 6.831 -3.937) 8.030 1.546 ( 0.702 1.003 -0.877) 1.506 1.693 ( 1.287 5.542 4.888) 7.500 1.834 ( 3.626 1.193 6.708) 7.718 1.878 ( 1.599 -1.862 1.189) 2.727 2.050 ( -0.594 4.597 3.437) 5.770 2.093 ( 0.610 2.383 2.613) 3.588 2.166 ( -0.947 4.137 3.728) 5.649 2.231 ( 1.601 1.053 -1.826) 2.647 2.326 ( -1.035 3.351 1.449) 3.795 2.381 ( 1.830 3.125 2.041) 4.157 2.410 ( 0.269 2.565 -5.312) 5.905 2.559 ( -3.622 4.272 -1.056) 5.700 2.592 ( -0.252 -0.524 -4.986) 5.019 2.759 ( 1.819 5.496 0.849) 5.851 2.838 ( -2.532 1.122 -2.424) 3.681 2.840 ( -0.226 15.355 -5.764) 16.403 3.162 ( -1.885 -13.940 0.043) 14.067 3.387 ( -2.170 -3.659 -4.306) 6.052 3.533 ( 4.865 -0.053 5.698) 7.492 3.704 ( -0.724 -2.170 -1.698) 2.849 3.942 ( 9.989 13.633 8.720) 19.018 4.170 ( 6.275 -9.536 5.929) 12.863 4.281 ( -14.491 15.333 -17.679) 27.525 4.389 ( -2.649 -15.256 -1.071) 15.521 4.712 ( 1.294 -4.676 2.231) 5.341 4.800 ( -6.093 -5.288 -4.538) 9.257 4.884 ( 2.507 2.066 -0.772) 3.339 4.975 ( 3.497 3.364 0.825) 4.922 5.240 ( -1.788 -9.738 -1.050) 9.956 5.336 ( -0.384 -10.107 4.218) 10.959 5.474 ( -6.310 1.256 5.683) 8.584 5.545 ( 2.654 -4.793 -1.492) 5.678 5.648 ( -2.850 -0.034 -5.985) 6.629 5.945 ( 0.839 3.558 -0.741) 3.730 6.171 ( 4.403 1.048 4.415) 6.323 6.261 ( -3.063 0.541 -3.626) 4.778 6.404 ( 3.372 -6.193 -0.712) 7.087 6.453 ( -5.195 -1.304 -0.129) 5.357 6.539 ( 1.523 0.728 1.865) 2.515 6.779 ( 0.103 4.896 0.338) 4.909 6.830 ( -0.375 6.576 1.834) 6.837 6.872 ( 1.003 7.978 -1.987) 8.283 7.017 ( 2.812 -4.373 1.738) 5.482 7.076 ( -3.626 -2.191 -0.745) 4.302 7.134 ( -0.943 12.801 -0.924) 12.869 7.271 ( 0.031 0.552 1.751) 1.836 7.304 ( -1.348 -2.327 -1.576) 3.117 7.523 ( 1.385 -3.369 2.417) 4.371 7.552 ( 0.402 -2.074 -0.131) 2.117 7.697 ( -0.970 5.579 -1.593) 5.882 7.831 ( 7.755 3.392 5.333) 10.004 8.013 ( -8.948 -1.438 -6.486) 11.144 8.781 ( 3.427 -6.255 2.961) 7.723 9.130 ( -0.596 -4.666 -1.154) 4.843 9.209 ( 0.491 9.185 0.001) 9.198 9.250 ( -0.908 6.492 -1.758) 6.787 9.546 ( 2.318 4.858 2.944) 6.135 9.654 ( -1.239 1.767 -1.152) 2.446 9.730 ( 7.240 -1.429 8.245) 11.066 9.899 ( -2.208 0.095 -2.301) 3.191 10.036 ( 5.873 0.106 8.348) 10.208 10.185 ( 2.720 -3.685 4.016) 6.091 10.209 ( 3.436 6.464 4.396) 8.539 10.256 ( 0.850 1.464 0.842) 1.891 10.362 ( -1.930 1.950 -2.376) 3.629 10.614 ( -12.098 -1.146 -14.786) 19.139 10.708 ( 2.411 6.209 0.886) 6.719 10.806 ( -12.677 5.500 -12.917) 18.916 10.980 ( 5.361 4.279 5.889) 9.040 11.097 ( -0.850 3.784 -4.806) 6.176 11.325 ( 9.749 7.547 1.009) 12.370 11.681 ( 5.544 3.853 -0.733) 6.791 11.901 ( 1.432 -1.132 -1.474) 2.346 12.075 ( -15.120 7.425 -10.079) 19.630 13.034 ( 1.534 1.133 5.074) 5.420 13.193 ( 3.512 2.754 0.131) 4.465 13.222 ( 1.169 3.160 4.036) 5.258 13.275 ( -0.094 -6.827 -1.491) 6.989 13.381 ( 2.226 7.787 4.668) 9.348 13.570 ( -0.845 3.079 -2.973) 4.362 14.523 ( 11.099 -10.670 17.679) 23.443 14.758 ( -2.869 -4.634 12.617) 13.744 15.079 ( -7.054 -13.863 -21.987) 26.933 15.150 ( -6.624 -9.736 -19.000) 22.354 15.595 ( 16.244 22.534 23.524) 36.401 16.019 ( -5.700 2.264 -7.942) 10.034 16.224 ( 5.532 3.019 7.779) 10.011 16.364 ( 0.646 -24.337 -4.661) 24.788 16.521 ( -1.530 -25.112 -2.684) 25.302 16.690 ( -4.602 -13.600 -5.927) 15.533 16.897 ( 0.795 -28.464 1.116) 28.497 17.195 ( -3.621 -7.210 -5.131) 9.561 18.214 ( 17.238 13.959 3.948) 22.529 18.429 ( -6.229 16.499 -2.783) 17.854 18.759 ( 10.108 5.460 6.523) 13.211 18.850 ( 7.056 24.277 8.418) 26.646 19.024 ( -3.632 19.294 -6.395) 20.648 19.390 ( -4.234 1.993 -7.040) 8.453 20.193 ( -1.971 2.843 3.479) 4.907 20.381 ( 1.862 3.747 -3.292) 5.324 20.792 ( 3.830 -2.176 4.215) 6.097 20.910 ( -9.886 -1.532 -5.313) 11.328 21.378 ( 0.065 -7.577 3.032) 8.161 22.002 ( -11.831 -18.229 3.045) 21.944 ======================= Grid point 106 (53/72) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 8.432 4.850 13.081) 16.302 1.174 ( -3.179 11.128 -2.492) 11.839 1.323 ( 4.261 6.122 3.995) 8.461 1.469 ( 7.066 2.714 -7.488) 10.647 1.564 ( -0.822 0.304 1.426) 1.674 1.693 ( 1.001 5.214 -1.052) 5.412 1.809 ( -5.105 -2.875 0.243) 5.864 1.928 ( 2.154 0.262 -2.872) 3.599 2.017 ( -2.548 2.719 1.402) 3.982 2.074 ( -4.173 3.271 0.664) 5.344 2.168 ( 0.268 -1.092 5.728) 5.837 2.210 ( -0.812 -2.096 0.333) 2.272 2.346 ( 2.453 7.012 -1.436) 7.567 2.414 ( 1.758 1.764 -4.554) 5.190 2.483 ( -0.224 9.656 -0.490) 9.671 2.517 ( 5.504 1.212 -1.329) 5.790 2.611 ( 2.169 -0.452 0.902) 2.393 2.741 ( -0.967 6.939 0.357) 7.015 2.789 ( -1.688 6.931 -3.372) 7.890 2.902 ( 5.178 4.864 0.459) 7.119 3.164 ( 1.174 -8.600 3.910) 9.519 3.319 ( -4.249 -4.519 -0.346) 6.213 3.611 ( 3.165 -1.038 -0.689) 3.401 3.684 ( -2.950 -3.394 -3.191) 5.515 3.915 ( -12.811 18.592 -14.713) 26.949 4.190 ( 0.050 -2.975 1.474) 3.320 4.223 ( 2.485 1.789 2.635) 4.040 4.363 ( 3.788 -7.206 6.811) 10.614 4.732 ( 2.614 -8.437 0.309) 8.838 4.786 ( 3.432 -3.017 6.091) 7.614 4.898 ( -0.548 2.169 -5.084) 5.555 5.080 ( -1.844 -3.955 -0.967) 4.469 5.130 ( 4.558 1.736 -0.528) 4.906 5.353 ( -3.241 -6.015 6.835) 9.665 5.517 ( 7.068 -4.862 2.999) 9.087 5.569 ( -1.551 -0.629 1.188) 2.053 5.639 ( 4.700 -5.334 1.778) 7.328 5.939 ( -1.146 4.126 -1.420) 4.512 6.183 ( -4.230 4.302 -5.309) 8.037 6.272 ( 4.179 -6.347 4.368) 8.766 6.353 ( -0.300 -2.416 -1.559) 2.891 6.515 ( 1.102 -5.385 1.952) 5.833 6.593 ( 5.260 4.156 0.237) 6.708 6.791 ( 1.203 5.171 1.513) 5.521 6.810 ( -0.837 7.051 -0.374) 7.111 6.906 ( 2.038 5.005 0.151) 5.406 6.968 ( -4.140 -6.121 -1.090) 7.470 7.093 ( -1.470 5.090 -0.025) 5.298 7.113 ( 2.463 8.051 1.285) 8.516 7.276 ( 0.378 2.172 3.522) 4.155 7.286 ( -0.373 -3.703 -0.092) 3.723 7.501 ( -5.520 -0.755 -0.642) 5.608 7.559 ( 0.406 -2.619 -2.533) 3.666 7.660 ( -2.528 2.858 0.693) 3.878 7.795 ( -4.147 4.603 -3.211) 6.978 8.052 ( 7.207 -1.137 5.143) 8.927 8.801 ( -1.180 -5.639 -3.652) 6.821 9.126 ( 0.300 -4.678 0.100) 4.688 9.211 ( -0.148 8.925 -0.898) 8.972 9.257 ( 1.422 6.857 0.038) 7.003 9.556 ( -1.600 7.657 -2.297) 8.153 9.648 ( 1.057 -0.796 1.967) 2.371 9.756 ( -6.046 -0.224 -7.917) 9.964 9.892 ( 3.608 -3.985 4.224) 6.837 10.065 ( -5.896 -3.983 -6.841) 9.870 10.188 ( -1.248 -4.739 -0.323) 4.911 10.205 ( -5.466 6.726 -4.873) 9.943 10.280 ( -2.227 2.704 -3.771) 5.147 10.361 ( -0.504 1.908 -1.075) 2.247 10.518 ( 13.905 1.699 21.438) 25.609 10.689 ( -2.057 8.163 -2.030) 8.660 10.791 ( 5.078 7.573 6.228) 11.042 10.961 ( -8.930 9.276 -7.337) 14.820 11.021 ( -6.584 3.412 -5.135) 9.020 11.244 ( -9.855 9.703 -9.274) 16.651 11.634 ( -5.213 0.619 -5.541) 7.633 11.823 ( -0.934 -2.911 3.826) 4.898 12.158 ( 9.197 4.404 10.103) 14.354 13.027 ( -2.038 4.692 1.237) 5.264 13.193 ( -2.208 -0.265 -6.134) 6.525 13.258 ( 1.472 -5.378 1.125) 5.688 13.309 ( 3.151 2.575 -1.075) 4.209 13.423 ( 0.566 6.592 -0.658) 6.649 13.542 ( -0.140 5.238 0.209) 5.244 14.652 ( -3.402 -13.594 -5.582) 15.084 14.727 ( -6.690 -16.339 -1.873) 17.755 14.988 ( 20.061 -11.809 23.735) 33.245 15.175 ( -3.073 -6.339 -12.136) 14.033 15.777 ( -14.772 17.801 -23.499) 32.974 15.943 ( 15.309 19.993 19.895) 32.091 16.248 ( -4.564 2.206 -4.249) 6.614 16.364 ( -2.549 -34.958 -6.740) 35.692 16.503 ( -0.523 -23.792 1.011) 23.819 16.664 ( 3.337 -13.127 4.691) 14.334 16.902 ( -0.424 -28.341 -0.651) 28.351 17.170 ( 1.494 -7.647 2.496) 8.182 18.100 ( -15.325 16.497 -15.871) 27.548 18.535 ( 6.643 11.844 4.047) 14.170 18.769 ( -8.125 8.044 -12.795) 17.159 18.913 ( -6.415 18.698 -9.791) 22.060 18.972 ( 4.602 17.843 7.394) 19.856 19.640 ( 17.047 -0.362 -1.036) 17.083 20.165 ( -0.845 3.165 3.188) 4.571 20.416 ( 1.528 3.466 -3.446) 5.120 20.589 ( -11.229 -2.006 6.784) 13.271 20.859 ( -7.670 -2.521 1.623) 8.235 21.046 ( -6.769 0.181 5.358) 8.635 22.283 ( 21.456 -15.369 14.002) 29.877 ======================= Grid point 107 (54/72) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -8.229 12.105 -3.053) 14.952 1.269 ( 5.811 -0.517 9.066) 10.781 1.393 ( 1.902 3.801 2.838) 5.111 1.507 ( -2.377 3.926 2.110) 5.051 1.597 ( 3.600 0.995 -10.268) 10.926 1.711 ( -2.362 -0.617 0.781) 2.563 1.759 ( 3.423 0.260 -0.762) 3.516 1.944 ( -4.297 5.983 -3.574) 8.188 1.955 ( 0.958 -1.533 -5.966) 6.234 1.997 ( -1.218 1.043 1.323) 2.079 2.148 ( -1.177 -1.359 0.351) 1.832 2.227 ( 0.755 -1.132 4.572) 4.771 2.358 ( -1.441 1.276 -2.433) 3.102 2.422 ( -1.268 4.350 -4.294) 6.242 2.473 ( 0.647 10.244 -2.902) 10.667 2.598 ( -2.673 3.518 -2.733) 5.195 2.681 ( 6.058 4.350 -2.843) 7.982 2.738 ( 3.028 7.079 -4.142) 8.742 2.869 ( 5.523 8.276 2.164) 10.182 2.994 ( 3.197 8.304 7.409) 11.578 3.148 ( -6.248 4.717 -3.518) 8.582 3.254 ( 2.737 -17.537 7.462) 19.254 3.547 ( -4.763 -2.643 -5.601) 7.813 3.664 ( 1.804 -1.283 0.836) 2.366 3.836 ( 1.536 6.596 0.425) 6.786 4.034 ( -8.482 -7.927 -13.073) 17.484 4.231 ( -3.567 -5.699 0.756) 6.766 4.530 ( 8.183 8.742 10.044) 15.629 4.843 ( 3.876 -2.055 -2.565) 5.082 4.852 ( 2.042 -4.653 1.785) 5.386 4.882 ( 1.692 -3.625 3.875) 5.570 5.055 ( 3.068 -4.101 2.675) 5.778 5.280 ( 2.982 0.360 2.024) 3.622 5.344 ( 4.460 -4.179 3.398) 6.993 5.458 ( -2.405 0.072 -3.465) 4.218 5.633 ( -0.619 -1.781 5.219) 5.549 5.774 ( 6.512 -0.143 7.330) 9.806 5.935 ( 2.208 -1.387 -1.650) 3.085 6.105 ( -2.660 -2.148 -3.512) 4.902 6.314 ( 1.208 -8.196 2.662) 8.702 6.403 ( 1.835 3.584 -1.280) 4.225 6.525 ( 1.242 -1.617 -0.626) 2.133 6.653 ( 0.037 -1.251 1.076) 1.650 6.770 ( -2.547 0.435 1.702) 3.094 6.844 ( 1.456 6.013 1.003) 6.268 6.904 ( -2.075 1.262 -6.740) 7.164 6.956 ( 2.257 0.275 5.665) 6.104 7.059 ( 0.169 4.455 2.481) 5.102 7.150 ( 0.281 6.333 -2.607) 6.854 7.252 ( -6.728 4.220 -2.400) 8.297 7.284 ( 0.161 -3.714 2.886) 4.706 7.354 ( -1.025 5.841 1.205) 6.052 7.522 ( -2.848 2.197 -2.989) 4.677 7.673 ( 2.601 -4.217 2.637) 5.613 7.844 ( 6.915 4.214 4.081) 9.068 8.088 ( -4.687 -2.003 -2.568) 5.708 8.787 ( 1.005 -5.208 -3.953) 6.615 9.130 ( -0.252 -3.185 -0.108) 3.197 9.210 ( 0.042 9.011 -0.837) 9.050 9.294 ( 2.000 6.392 0.546) 6.720 9.489 ( -4.636 3.644 -6.154) 8.523 9.618 ( -6.263 -2.593 -9.666) 11.805 9.671 ( -0.861 5.011 -1.044) 5.191 9.801 ( -6.139 17.249 -5.365) 19.079 10.029 ( 2.288 -6.899 2.178) 7.588 10.135 ( -1.807 -2.967 -1.995) 4.006 10.205 ( -5.146 3.159 -6.551) 8.909 10.216 ( -2.188 1.567 -1.066) 2.894 10.360 ( -0.280 5.952 0.271) 5.965 10.536 ( -10.672 12.574 -11.305) 19.995 10.617 ( -1.047 1.190 -0.579) 1.687 10.829 ( -6.445 1.506 -6.449) 9.241 10.858 ( 1.387 6.852 -0.135) 6.992 11.067 ( 18.795 -0.698 31.832) 36.974 11.213 ( 1.370 1.294 5.832) 6.129 11.532 ( -4.794 -2.532 -5.862) 7.985 11.839 ( 1.614 -3.225 4.570) 5.822 12.315 ( 7.287 13.488 17.861) 23.538 12.963 ( -4.259 1.900 -5.464) 7.183 13.123 ( -4.034 4.896 -6.791) 9.293 13.263 ( -2.817 -9.833 -5.065) 11.414 13.347 ( 0.231 5.278 -2.572) 5.876 13.427 ( 1.236 1.308 -1.979) 2.675 13.548 ( 0.149 -2.169 -1.223) 2.495 14.495 ( -1.576 -6.437 -7.577) 10.067 14.869 ( 9.987 -17.809 13.856) 24.676 14.987 ( -11.927 -4.687 -5.450) 13.926 15.417 ( -0.085 9.168 -3.964) 9.989 15.463 ( 4.885 0.904 9.289) 10.534 16.008 ( -10.853 1.308 -15.668) 19.105 16.210 ( -1.778 -19.277 -2.839) 19.566 16.346 ( 7.065 4.947 10.205) 13.362 16.494 ( -0.503 -30.087 2.330) 30.182 16.756 ( 4.088 -15.245 5.475) 16.706 16.889 ( -0.465 -28.588 -0.841) 28.604 17.241 ( 4.578 -5.115 6.926) 9.751 17.782 ( -14.861 17.054 -19.294) 29.732 18.527 ( -7.840 9.658 -12.749) 17.812 18.652 ( -1.792 17.906 0.937) 18.020 18.773 ( -5.650 18.996 -6.972) 21.009 19.031 ( 1.139 17.938 4.021) 18.418 19.737 ( -1.499 -4.927 15.482) 16.316 20.148 ( -0.415 2.775 2.459) 3.731 20.436 ( 0.535 2.792 -1.893) 3.416 20.592 ( -1.876 -1.151 -0.645) 2.294 20.728 ( 4.084 -3.271 -7.338) 9.013 21.082 ( 4.959 2.211 0.783) 5.485 22.650 ( 13.971 -15.972 13.498) 25.150 ======================= Grid point 108 (55/72) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -5.012 13.222 -1.942) 14.273 1.291 ( -1.098 -4.776 4.614) 6.731 1.439 ( 2.063 1.655 1.529) 3.055 1.496 ( 0.238 1.852 0.859) 2.055 1.584 ( -2.396 3.618 -2.208) 4.868 1.744 ( 3.037 1.560 -1.725) 3.825 1.787 ( -0.493 1.249 0.352) 1.388 1.885 ( -0.935 9.923 -0.693) 9.991 1.971 ( 0.618 1.503 -3.455) 3.818 2.005 ( 1.478 1.408 -1.319) 2.431 2.144 ( -0.258 -6.214 0.803) 6.271 2.211 ( -3.385 2.187 1.522) 4.308 2.321 ( -1.035 2.685 -2.438) 3.772 2.346 ( -5.578 9.584 -7.907) 13.620 2.477 ( -0.445 11.618 -3.794) 12.230 2.522 ( -3.419 2.032 -2.380) 4.635 2.727 ( 2.610 5.041 -4.212) 7.069 2.807 ( -2.979 8.638 -7.248) 11.663 2.914 ( 2.709 3.472 5.508) 7.052 2.993 ( -2.072 6.948 3.519) 8.059 3.143 ( 5.078 4.208 -2.023) 6.898 3.395 ( 8.487 -19.271 13.948) 25.258 3.528 ( 1.272 -5.235 4.124) 6.785 3.687 ( 1.008 -3.619 -0.066) 3.757 3.855 ( -2.722 0.419 -6.496) 7.056 3.894 ( -2.339 -3.875 -4.695) 6.521 4.145 ( -4.122 -2.065 -4.190) 6.230 4.646 ( 2.543 8.609 2.982) 9.459 4.807 ( -0.645 0.502 -1.040) 1.323 4.915 ( 0.438 -8.380 4.194) 9.381 4.956 ( 3.565 -6.460 1.048) 7.452 5.145 ( 2.621 -1.121 -1.614) 3.275 5.303 ( 1.545 -6.474 4.214) 7.878 5.359 ( 0.947 0.229 0.642) 1.167 5.543 ( 1.469 -0.686 2.914) 3.334 5.618 ( 2.117 5.445 1.359) 5.998 5.844 ( 3.327 -1.986 5.727) 6.914 5.989 ( -0.405 5.305 -1.564) 5.546 6.118 ( 5.437 -9.009 1.687) 10.657 6.335 ( 0.106 -10.457 -0.982) 10.503 6.412 ( 0.005 5.721 -1.186) 5.842 6.481 ( -8.883 0.669 -2.568) 9.270 6.581 ( -2.503 -5.192 -0.435) 5.780 6.716 ( -3.138 -3.231 -0.119) 4.506 6.868 ( -0.054 7.651 -0.780) 7.691 6.897 ( 3.129 -0.609 -0.420) 3.215 6.983 ( 0.608 1.449 7.641) 7.801 7.091 ( 0.128 5.531 2.668) 6.142 7.114 ( -1.126 9.167 -1.173) 9.311 7.218 ( 2.959 1.239 -3.264) 4.577 7.311 ( 3.443 -2.081 2.711) 4.852 7.399 ( 2.855 3.722 2.679) 5.401 7.480 ( 0.027 3.564 -1.806) 3.995 7.678 ( -4.244 -0.991 0.844) 4.439 7.908 ( -7.300 -1.607 -3.606) 8.299 8.025 ( 6.652 0.217 0.872) 6.712 8.821 ( 1.532 -2.550 -1.058) 3.158 9.115 ( -0.664 -2.207 0.464) 2.351 9.211 ( 0.069 9.570 -0.488) 9.583 9.323 ( 0.183 -0.173 -0.456) 0.521 9.385 ( -4.611 11.576 -7.807) 14.704 9.505 ( -4.528 -1.746 -8.038) 9.390 9.608 ( -2.582 25.191 -2.867) 25.485 9.792 ( 1.953 7.719 3.051) 8.527 9.899 ( -12.101 7.656 -16.986) 22.217 10.078 ( -0.876 -4.732 -1.022) 4.920 10.134 ( 0.430 -4.475 1.510) 4.742 10.225 ( 0.440 1.560 0.313) 1.651 10.359 ( 0.388 1.663 1.009) 1.984 10.469 ( 0.395 2.635 1.828) 3.231 10.585 ( -1.616 -1.095 -3.034) 3.608 10.738 ( -2.463 7.191 -4.007) 8.593 10.888 ( 0.943 7.147 0.870) 7.262 11.236 ( 1.312 0.186 6.479) 6.613 11.423 ( 4.888 -7.566 10.992) 14.212 11.488 ( 9.851 -6.422 14.781) 18.888 11.871 ( 1.173 -4.114 2.226) 4.823 12.501 ( 10.186 21.977 19.273) 30.954 12.827 ( -9.510 -13.201 -16.272) 23.011 13.042 ( -3.650 7.970 -5.749) 10.483 13.150 ( -4.755 -5.476 -6.403) 9.675 13.346 ( -0.443 4.075 0.243) 4.106 13.444 ( 0.050 -0.043 -0.882) 0.885 13.561 ( 0.470 -0.353 -2.089) 2.170 14.572 ( 6.479 0.252 -0.563) 6.508 14.688 ( -13.636 -1.577 1.942) 13.864 15.112 ( 10.048 -25.944 13.047) 30.729 15.178 ( -6.393 24.487 -11.081) 27.628 15.689 ( -9.277 2.510 -13.239) 16.360 15.900 ( 12.450 -6.669 16.941) 22.056 16.120 ( -3.760 -36.140 -1.559) 36.368 16.457 ( 1.198 -17.479 2.627) 17.716 16.525 ( 2.585 -1.105 0.340) 2.831 16.812 ( 1.529 -21.571 1.917) 21.710 16.886 ( -0.203 -22.273 -0.320) 22.276 17.333 ( 3.922 -5.114 5.908) 8.743 17.519 ( -9.864 16.942 -14.388) 24.317 18.373 ( -5.669 14.994 -8.411) 18.103 18.544 ( -6.979 25.546 -8.536) 27.824 18.744 ( 1.058 18.479 5.468) 19.300 19.045 ( 0.565 14.112 1.859) 14.245 19.755 ( 2.786 -5.857 10.738) 12.545 20.155 ( 0.882 2.703 -0.001) 2.844 20.434 ( -0.750 2.174 0.659) 2.392 20.512 ( -2.336 0.189 -0.334) 2.368 20.796 ( -1.170 -3.588 3.559) 5.188 21.205 ( 6.231 1.199 -12.928) 14.402 22.859 ( 6.698 -16.355 8.508) 19.614 ======================= Grid point 109 (56/72) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 3.840 13.781 -0.989) 14.340 1.322 ( 4.217 -4.403 2.201) 6.481 1.434 ( -3.328 2.842 0.905) 4.469 1.496 ( -2.658 3.943 3.273) 5.773 1.532 ( 0.224 2.898 0.395) 2.933 1.757 ( -1.969 1.128 -0.620) 2.353 1.783 ( -0.147 2.805 -0.329) 2.828 1.889 ( -3.361 13.536 -2.374) 14.147 1.944 ( -0.895 5.665 -0.961) 5.815 1.993 ( -3.153 0.544 0.577) 3.251 2.095 ( 0.774 2.640 4.453) 5.235 2.215 ( 3.932 1.546 -0.430) 4.247 2.301 ( 1.704 5.986 -0.988) 6.302 2.313 ( -0.363 0.124 -3.966) 3.985 2.456 ( -1.185 9.951 -1.151) 10.088 2.494 ( 0.408 0.304 0.896) 1.031 2.737 ( -3.456 6.444 -0.380) 7.322 2.762 ( -1.599 4.433 -7.805) 9.118 2.879 ( -3.859 1.815 6.858) 8.075 2.961 ( -0.630 8.783 1.726) 8.973 3.209 ( -0.556 2.491 -2.889) 3.855 3.551 ( 5.395 -16.935 6.262) 18.845 3.574 ( 2.526 -5.820 3.076) 7.051 3.714 ( 1.573 -8.500 -1.743) 8.819 3.754 ( -4.466 -4.587 -9.344) 11.327 3.898 ( 0.310 1.377 0.011) 1.411 4.105 ( 1.536 1.446 -2.216) 3.060 4.648 ( -0.560 4.939 0.915) 5.054 4.818 ( -1.248 0.171 -0.252) 1.284 4.903 ( -0.731 -8.529 3.783) 9.359 4.984 ( -0.781 -6.043 -1.467) 6.267 5.140 ( -1.130 0.828 -1.284) 1.900 5.356 ( 2.409 -5.552 -2.134) 6.418 5.390 ( 0.006 5.222 1.090) 5.334 5.521 ( -2.172 -2.380 3.963) 5.107 5.628 ( 0.203 -0.862 0.402) 0.972 5.942 ( -3.353 2.985 2.667) 5.221 5.969 ( 6.221 -4.553 -4.567) 8.961 6.171 ( -8.090 -2.599 -3.790) 9.304 6.299 ( 3.785 -10.616 3.091) 11.687 6.364 ( 1.228 1.117 1.138) 2.013 6.448 ( 1.657 4.657 1.298) 5.111 6.584 ( 1.585 -4.377 2.149) 5.128 6.664 ( -0.538 -5.029 1.737) 5.348 6.864 ( -0.999 4.527 -1.022) 4.748 6.930 ( -1.256 4.528 -1.806) 5.035 6.977 ( 0.065 4.142 6.468) 7.681 7.088 ( 0.738 11.864 0.118) 11.887 7.113 ( -0.331 3.764 1.273) 3.987 7.250 ( 0.450 -2.584 -3.416) 4.307 7.373 ( -1.703 -4.068 -2.624) 5.132 7.410 ( 2.159 0.746 1.935) 2.993 7.489 ( -8.185 8.150 -4.916) 12.553 7.663 ( 13.216 0.665 3.986) 13.820 7.834 ( -0.841 -3.550 1.610) 3.988 8.069 ( -3.547 0.114 -2.753) 4.492 8.829 ( -1.194 -0.378 -0.574) 1.377 9.129 ( 1.448 -2.583 1.447) 3.296 9.210 ( -0.211 9.830 -0.256) 9.836 9.280 ( -0.862 13.997 -2.108) 14.181 9.346 ( -0.565 2.945 -2.299) 3.779 9.439 ( -1.686 -1.207 -2.695) 3.400 9.595 ( 1.580 29.790 -0.870) 29.845 9.745 ( -2.543 4.281 -3.592) 6.140 9.823 ( 0.439 6.891 0.846) 6.957 10.067 ( 0.053 -4.500 -0.186) 4.504 10.142 ( 0.051 -5.700 0.973) 5.782 10.232 ( 0.255 1.055 -0.527) 1.207 10.367 ( 0.169 0.301 0.706) 0.786 10.489 ( 1.176 1.981 2.013) 3.059 10.561 ( -0.486 -1.857 -2.265) 2.969 10.714 ( 0.038 8.940 -1.836) 9.127 10.889 ( -0.892 7.297 0.794) 7.394 11.285 ( 3.589 0.391 4.474) 5.749 11.403 ( -1.372 -3.296 -4.196) 5.509 11.756 ( 7.645 -12.113 13.305) 19.550 11.887 ( 0.539 -4.368 0.448) 4.424 12.613 ( -4.431 -25.003 -7.323) 26.427 12.688 ( 2.505 23.258 4.143) 23.756 12.988 ( -1.158 7.513 -1.437) 7.736 13.126 ( 2.065 1.955 -2.575) 3.837 13.322 ( -1.938 4.244 2.545) 5.315 13.425 ( -1.952 0.069 0.795) 2.109 13.552 ( -0.634 2.323 -2.288) 3.322 14.425 ( -9.080 2.753 8.536) 12.763 14.748 ( 7.777 -0.058 -0.690) 7.808 15.154 ( 1.255 22.657 -0.410) 22.696 15.247 ( 1.665 -31.046 2.116) 31.163 15.491 ( -4.365 6.908 -6.055) 10.170 15.990 ( -1.368 -28.638 -1.169) 28.694 16.248 ( 10.265 -11.267 18.387) 23.883 16.455 ( -6.466 0.920 -12.247) 13.879 16.495 ( 0.588 -28.602 -1.244) 28.635 16.833 ( 0.408 -28.844 0.308) 28.849 16.872 ( -0.638 -12.705 -0.501) 12.731 17.377 ( -0.280 -15.313 -0.453) 15.322 17.412 ( -0.034 25.920 -1.057) 25.941 18.309 ( -0.764 20.611 -1.203) 20.660 18.445 ( -1.426 25.473 -1.370) 25.550 18.771 ( 1.008 20.576 3.653) 20.922 19.059 ( 0.850 11.689 0.038) 11.719 19.831 ( 3.804 -6.408 3.438) 8.207 20.179 ( 1.546 2.649 -2.231) 3.793 20.408 ( -1.724 1.737 2.842) 3.750 20.525 ( 3.595 0.588 -1.244) 3.850 20.702 ( -7.237 -1.424 7.937) 10.835 21.280 ( 1.393 -0.023 -15.359) 15.422 22.932 ( 0.321 -17.958 1.779) 18.048 ======================= Grid point 110 (57/72) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 5.681 14.309 0.885) 15.421 1.318 ( -5.948 8.485 6.454) 12.208 1.380 ( -3.007 0.304 5.401) 6.189 1.466 ( 1.694 0.511 -3.537) 3.955 1.558 ( 0.814 2.315 -0.531) 2.510 1.688 ( -4.552 4.771 2.650) 7.107 1.734 ( -5.792 2.082 7.735) 9.885 1.788 ( 0.500 0.698 -2.426) 2.574 1.964 ( 1.381 2.333 0.790) 2.824 2.012 ( 3.229 5.630 -1.025) 6.571 2.132 ( 2.352 4.685 2.534) 5.822 2.255 ( -0.456 12.789 5.092) 13.773 2.288 ( -1.305 -3.775 -2.265) 4.592 2.406 ( 5.203 2.832 -1.156) 6.035 2.431 ( -0.508 6.428 1.773) 6.687 2.571 ( 6.043 5.726 6.300) 10.440 2.627 ( -5.346 6.977 1.386) 8.898 2.683 ( -2.518 2.683 -6.436) 7.414 2.839 ( -2.453 6.197 1.606) 6.856 3.000 ( 3.568 6.422 3.610) 8.186 3.138 ( -3.637 2.102 -1.835) 4.584 3.493 ( -7.814 -18.648 -11.324) 23.174 3.589 ( -3.961 -0.391 -6.205) 7.372 3.752 ( 0.988 -11.846 -2.250) 12.098 3.757 ( 4.911 -2.924 5.081) 7.648 3.906 ( 1.520 1.375 -0.651) 2.151 4.205 ( 7.039 -4.647 1.113) 8.508 4.650 ( -0.708 4.067 -1.263) 4.317 4.727 ( -3.804 -0.602 2.849) 4.791 4.877 ( -4.290 -0.780 1.543) 4.625 4.966 ( -0.250 -7.505 -1.068) 7.585 5.132 ( 0.419 -0.385 -4.309) 4.346 5.286 ( -9.681 2.801 -2.445) 10.371 5.389 ( 0.538 0.705 3.576) 3.684 5.500 ( 1.895 -9.897 -6.453) 11.966 5.685 ( 3.080 -1.148 -0.079) 3.288 5.840 ( -6.855 -1.241 3.114) 7.631 5.976 ( -6.483 -2.089 -7.587) 10.196 6.059 ( 1.050 -8.556 0.150) 8.622 6.348 ( 0.813 -8.831 -0.472) 8.881 6.401 ( -0.674 7.774 -0.219) 7.807 6.464 ( 0.287 0.321 3.561) 3.587 6.648 ( 2.797 -6.440 5.217) 8.747 6.728 ( 4.796 3.371 3.501) 6.828 6.805 ( -2.789 1.403 0.955) 3.265 6.890 ( -1.505 7.435 -2.841) 8.100 6.992 ( -0.213 3.382 2.622) 4.285 7.101 ( 0.025 4.435 0.790) 4.505 7.132 ( 2.754 8.757 -0.214) 9.182 7.245 ( 1.671 0.070 -4.348) 4.659 7.340 ( -0.729 -1.934 -2.547) 3.280 7.382 ( -2.031 5.387 -1.545) 5.961 7.461 ( 2.038 0.583 3.029) 3.698 7.748 ( -3.566 -3.913 -4.077) 6.682 7.924 ( -6.899 2.796 -3.128) 8.075 8.000 ( 11.643 -2.118 5.363) 12.993 8.757 ( -4.928 -1.964 -1.212) 5.442 9.145 ( 0.371 -2.348 -1.550) 2.838 9.203 ( -0.378 9.371 -0.048) 9.378 9.318 ( -0.888 7.625 -0.764) 7.714 9.355 ( 4.862 8.832 3.713) 10.744 9.455 ( 3.614 -0.969 5.361) 6.538 9.643 ( 2.025 23.755 -1.936) 23.919 9.811 ( -0.786 9.022 -1.587) 9.194 9.836 ( 12.477 6.475 14.014) 19.849 10.080 ( 1.001 -4.751 0.757) 4.914 10.142 ( 0.314 -1.868 0.376) 1.931 10.236 ( 0.229 0.788 -0.734) 1.101 10.364 ( -0.018 3.680 -0.325) 3.695 10.497 ( -0.384 2.988 -1.811) 3.515 10.580 ( 2.436 -1.525 1.934) 3.464 10.745 ( 3.310 7.314 1.235) 8.122 10.855 ( -2.419 6.695 0.533) 7.138 11.338 ( -1.121 -0.158 -5.520) 5.635 11.409 ( 3.758 -2.396 5.253) 6.889 11.680 ( -13.523 -10.242 -21.820) 27.638 11.893 ( -0.134 -4.501 -1.198) 4.660 12.632 ( -5.050 18.443 -9.682) 21.433 12.704 ( 9.830 -19.198 15.294) 26.441 13.001 ( 2.420 4.814 4.677) 7.135 13.196 ( 3.946 1.369 -1.707) 4.512 13.275 ( -2.566 5.727 4.169) 7.534 13.381 ( -1.893 0.943 2.318) 3.138 13.542 ( -0.739 -1.568 -1.700) 2.428 14.350 ( 0.490 7.354 13.373) 15.270 14.849 ( 1.518 -1.168 0.781) 2.069 15.141 ( -0.295 16.571 1.165) 16.615 15.189 ( -5.134 -21.512 -8.841) 23.817 15.596 ( 11.347 6.755 16.472) 21.112 15.960 ( -5.971 -17.837 -7.660) 20.310 16.170 ( -8.332 -26.508 -10.922) 29.856 16.457 ( 2.180 5.444 4.781) 7.566 16.531 ( 2.050 -28.619 -1.125) 28.714 16.819 ( -1.387 -23.650 -1.973) 23.773 16.877 ( 0.555 -19.426 1.285) 19.476 17.369 ( -2.210 -10.796 -3.695) 11.623 17.466 ( 7.767 23.438 8.065) 25.975 18.330 ( 2.991 17.761 4.527) 18.571 18.503 ( 6.312 26.993 8.893) 29.113 18.774 ( -1.099 18.134 0.235) 18.169 19.075 ( 0.594 13.576 -1.198) 13.641 19.859 ( -3.390 -6.587 1.925) 7.654 20.212 ( 1.601 2.842 -3.363) 4.685 20.375 ( -1.480 2.396 3.338) 4.368 20.578 ( -2.292 0.185 1.194) 2.591 20.661 ( 10.177 -0.673 -1.368) 10.291 21.250 ( -3.676 -0.598 -12.558) 13.098 22.857 ( -8.565 -21.341 -5.778) 23.711 ======================= Grid point 111 (58/72) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 2.265 13.420 7.992) 15.783 1.217 ( -12.214 1.059 9.426) 15.465 1.263 ( -0.258 6.850 3.259) 7.590 1.408 ( -4.243 6.942 -3.220) 8.750 1.557 ( -1.179 0.104 0.895) 1.484 1.654 ( 0.926 4.931 6.052) 7.862 1.734 ( 5.094 4.309 5.646) 8.740 1.832 ( 2.547 -3.393 0.505) 4.273 2.016 ( 3.480 3.185 0.900) 4.803 2.068 ( 1.915 3.846 -0.399) 4.315 2.179 ( 1.178 11.868 3.339) 12.385 2.208 ( -1.305 4.365 2.987) 5.448 2.309 ( 2.094 0.902 2.017) 3.044 2.398 ( -3.186 1.151 4.004) 5.244 2.448 ( -1.813 0.742 -3.612) 4.109 2.574 ( 2.237 5.055 -6.765) 8.736 2.614 ( -1.516 0.665 1.626) 2.321 2.742 ( 1.983 15.061 -0.083) 15.191 2.791 ( 0.972 3.651 -0.300) 3.790 2.950 ( -6.313 6.730 -1.550) 9.357 3.211 ( 3.294 -3.357 0.946) 4.797 3.349 ( -0.473 -11.695 -3.685) 12.271 3.503 ( -3.210 -2.374 -2.793) 4.873 3.732 ( -1.928 -7.657 -3.361) 8.582 3.827 ( 2.399 8.728 -0.820) 9.088 4.007 ( 7.867 -6.857 6.630) 12.363 4.336 ( 4.975 -11.210 -0.059) 12.264 4.558 ( -7.725 7.510 -7.862) 13.338 4.731 ( -3.159 -2.077 -0.024) 3.781 4.785 ( 2.359 1.739 3.435) 4.516 4.940 ( -2.602 -2.593 -2.952) 4.712 5.050 ( -11.355 -0.054 -2.824) 11.701 5.167 ( 3.266 -8.152 -3.003) 9.281 5.409 ( 0.359 -1.100 1.673) 2.034 5.534 ( -1.013 -3.087 -2.006) 3.819 5.622 ( -6.441 -8.852 2.526) 11.235 5.729 ( -5.975 -4.970 -10.003) 12.668 5.910 ( 1.479 1.355 1.435) 2.467 6.095 ( 2.615 0.746 3.086) 4.113 6.338 ( -4.200 2.370 -1.955) 5.204 6.353 ( 0.543 -4.735 -1.747) 5.076 6.498 ( 2.273 -0.612 3.140) 3.924 6.600 ( -6.534 -2.001 0.780) 6.878 6.779 ( 0.788 6.119 3.023) 6.870 6.810 ( 1.304 2.803 1.675) 3.516 6.869 ( -0.434 6.187 -2.309) 6.618 6.980 ( 0.168 0.583 0.087) 0.613 7.117 ( 0.295 1.847 0.287) 1.892 7.143 ( -0.305 7.983 -3.350) 8.662 7.291 ( -1.521 1.950 0.125) 2.477 7.329 ( -0.505 -4.194 -1.922) 4.641 7.443 ( 7.591 4.097 3.703) 9.387 7.508 ( 3.201 -2.074 2.825) 4.746 7.675 ( -1.348 -1.417 -1.396) 2.403 7.806 ( -3.864 4.380 -3.015) 6.573 8.137 ( -0.454 -1.611 -2.351) 2.886 8.708 ( 1.495 -5.564 4.062) 7.050 9.142 ( -0.476 -3.061 -1.679) 3.524 9.200 ( 0.199 8.976 0.256) 8.982 9.282 ( -1.894 6.452 -2.472) 7.164 9.469 ( 5.197 2.950 6.069) 8.517 9.566 ( 6.896 -1.275 9.115) 11.501 9.678 ( 0.674 9.142 -0.425) 9.176 9.818 ( 3.629 18.787 3.641) 19.478 10.026 ( -0.478 -7.276 -0.347) 7.300 10.126 ( 2.466 -3.510 2.900) 5.177 10.194 ( 2.986 -0.616 3.156) 4.388 10.242 ( 0.632 1.881 -0.600) 2.073 10.393 ( 0.170 7.252 -2.921) 7.820 10.599 ( 11.808 11.550 4.847) 17.214 10.658 ( 9.364 7.210 3.946) 12.459 10.815 ( 2.164 5.990 3.764) 7.398 10.850 ( 6.470 3.791 4.776) 8.890 11.222 ( -17.684 -1.946 -19.982) 26.754 11.306 ( -7.893 -3.338 -13.162) 15.706 11.553 ( 5.385 -0.138 1.760) 5.667 11.888 ( -0.195 -4.394 -2.144) 4.893 12.423 ( -14.128 14.606 -15.970) 25.845 12.937 ( 8.604 -3.783 10.950) 14.431 13.087 ( 5.625 -1.494 7.866) 9.785 13.221 ( -1.216 5.088 3.756) 6.440 13.271 ( 1.641 -0.914 1.339) 2.307 13.358 ( -0.518 2.742 2.182) 3.542 13.547 ( 1.988 -4.276 0.184) 4.719 14.384 ( 2.470 2.076 7.773) 8.416 14.841 ( -2.566 -3.446 8.265) 9.315 15.072 ( -2.972 -14.334 -12.655) 19.351 15.243 ( 8.513 22.563 18.399) 30.333 15.599 ( -17.690 -11.095 -24.567) 32.242 15.903 ( 11.495 3.771 16.591) 20.534 16.162 ( 2.435 -31.657 6.155) 32.341 16.416 ( -4.409 3.281 -8.139) 9.821 16.551 ( -0.553 -24.048 -4.305) 24.436 16.777 ( -3.110 -17.007 -4.024) 17.752 16.882 ( 0.324 -27.680 0.641) 27.689 17.289 ( -4.817 -5.581 -7.463) 10.490 17.761 ( 20.699 19.522 16.214) 32.749 18.431 ( 5.836 12.406 9.957) 16.944 18.651 ( 5.600 25.733 7.389) 27.352 18.732 ( -0.723 15.604 2.316) 15.791 19.072 ( -1.084 17.162 -3.149) 17.482 19.651 ( -15.434 -3.414 -1.454) 15.874 20.224 ( -0.627 2.948 -0.545) 3.063 20.358 ( 0.073 3.499 0.582) 3.548 20.652 ( 7.564 -0.925 -0.531) 7.639 20.964 ( 17.837 -4.528 -5.338) 19.161 21.142 ( -4.025 -0.511 -5.870) 7.136 22.534 ( -24.371 -24.112 -9.954) 35.699 ======================= Grid point 112 (59/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.613 8.838 6.389) 10.923 1.369 ( 1.043 7.637 2.561) 8.122 1.421 ( 1.243 9.607 1.793) 9.852 1.502 ( 0.665 4.921 -2.986) 5.794 1.598 ( -0.257 3.773 -0.293) 3.793 1.787 ( 0.004 -2.962 0.940) 3.108 1.836 ( 1.140 6.857 0.719) 6.988 1.913 ( 2.726 2.094 3.850) 5.161 2.095 ( -2.021 -1.527 0.673) 2.621 2.138 ( -1.127 0.493 2.490) 2.777 2.159 ( -2.220 -2.447 -0.225) 3.311 2.178 ( 0.963 0.293 -1.738) 2.008 2.369 ( -1.474 -1.177 -5.590) 5.899 2.400 ( 1.157 1.067 0.117) 1.578 2.441 ( -3.030 -5.596 1.295) 6.494 2.514 ( 0.529 -0.732 -1.846) 2.055 2.578 ( -1.405 -7.820 -4.887) 9.328 2.711 ( 0.090 -8.158 -0.604) 8.181 2.848 ( -1.137 2.485 -0.771) 2.839 2.923 ( -2.593 4.068 -2.798) 5.577 3.448 ( 0.899 10.066 2.244) 10.352 3.538 ( -0.000 0.411 1.768) 1.815 3.569 ( 6.133 17.595 10.035) 21.164 3.757 ( -0.035 20.605 -5.300) 21.276 3.968 ( 4.939 -8.015 4.587) 10.473 4.106 ( -2.295 -6.941 -5.475) 9.133 4.252 ( 12.028 14.608 14.022) 23.551 4.560 ( -12.550 1.859 -10.075) 16.201 4.588 ( 2.125 -6.573 -0.659) 6.939 4.688 ( -3.896 -3.456 -4.587) 6.940 4.750 ( -0.062 -10.334 -4.325) 11.203 4.995 ( -0.743 -8.652 0.480) 8.697 5.056 ( 3.463 -3.930 0.029) 5.238 5.142 ( -1.666 -1.645 -1.119) 2.595 5.388 ( -2.070 -4.843 1.551) 5.491 5.596 ( -2.086 -4.438 -2.253) 5.396 5.639 ( 0.139 6.586 1.840) 6.840 6.030 ( 3.296 5.461 5.691) 8.549 6.138 ( -2.630 -6.624 0.101) 7.127 6.266 ( 1.819 1.834 -1.598) 3.038 6.359 ( -0.114 3.373 -0.944) 3.504 6.497 ( -2.590 4.204 -0.800) 5.002 6.673 ( 0.996 8.745 -0.304) 8.807 6.814 ( -0.378 -0.926 0.922) 1.360 6.864 ( 0.842 -5.070 -0.882) 5.215 6.950 ( 2.069 3.062 3.981) 5.432 7.007 ( 1.932 1.428 -0.597) 2.475 7.059 ( -4.906 -0.103 -2.423) 5.472 7.242 ( -0.647 -1.250 0.694) 1.569 7.268 ( -1.249 2.543 -1.614) 3.261 7.416 ( 0.676 3.799 1.040) 3.997 7.436 ( -0.480 -1.493 -0.389) 1.616 7.570 ( 1.020 5.561 0.787) 5.708 7.764 ( 1.911 1.215 0.686) 2.366 7.905 ( 2.691 2.033 2.798) 4.382 8.039 ( -5.002 3.696 -4.375) 7.604 8.682 ( 2.862 -1.587 2.266) 3.980 9.042 ( -2.470 -3.292 -3.424) 5.354 9.218 ( 1.415 -6.356 1.362) 6.653 9.255 ( -0.695 -4.165 -0.862) 4.309 9.538 ( -0.142 -1.383 0.578) 1.506 9.641 ( 2.251 -3.952 0.836) 4.625 9.718 ( 0.691 -0.975 1.434) 1.867 9.817 ( -4.533 -7.455 -4.300) 9.727 9.986 ( -0.740 -3.175 -0.921) 3.388 10.068 ( -0.651 -6.224 -0.607) 6.287 10.313 ( 3.344 4.220 4.311) 6.897 10.436 ( -4.552 4.638 -5.726) 8.661 10.620 ( 2.902 19.427 5.307) 20.347 10.700 ( 4.826 -0.503 5.079) 7.024 10.857 ( -5.862 -0.652 -7.421) 9.480 10.884 ( -0.710 13.470 -0.037) 13.489 11.166 ( -1.054 18.524 -2.679) 18.747 11.399 ( 0.250 25.267 4.077) 25.595 11.473 ( 4.333 10.305 2.481) 11.451 11.677 ( 1.225 -2.865 0.206) 3.123 11.937 ( 15.293 5.999 8.204) 18.362 12.317 ( -22.171 13.416 -24.308) 35.530 13.039 ( 4.303 -0.895 6.872) 8.157 13.116 ( 6.168 -7.163 8.044) 12.412 13.195 ( 0.650 -0.333 -0.622) 0.959 13.334 ( -0.795 4.435 0.593) 4.544 13.597 ( 2.851 4.809 2.905) 6.300 13.619 ( 3.327 7.000 3.732) 8.603 14.436 ( -2.111 0.091 6.704) 7.029 14.683 ( -5.089 -1.452 -1.455) 5.489 14.804 ( -12.480 -10.590 -18.184) 24.466 14.955 ( 2.849 -10.185 -14.553) 17.990 15.330 ( 1.222 -41.572 7.444) 42.251 15.484 ( -0.718 -36.545 -5.164) 36.915 16.039 ( 9.340 -10.551 14.151) 19.970 16.259 ( -4.950 -23.600 -6.527) 24.982 16.301 ( 5.026 -0.050 9.030) 10.335 16.556 ( 4.013 6.002 2.556) 7.659 16.641 ( 1.040 13.211 -2.136) 13.423 17.132 ( -2.202 -1.782 -3.278) 4.332 18.432 ( 9.756 8.233 1.599) 12.865 18.703 ( -4.107 10.133 -3.629) 11.521 18.854 ( 2.323 4.340 2.710) 5.619 19.062 ( -6.814 -3.253 -7.516) 10.654 19.449 ( 4.609 21.677 0.577) 22.169 19.622 ( 2.405 15.333 -0.564) 15.531 20.277 ( -2.137 5.372 3.058) 6.540 20.494 ( 1.709 7.260 -2.970) 8.028 20.713 ( -0.666 -5.703 3.668) 6.813 20.869 ( -5.355 -2.412 -3.732) 6.958 21.225 ( -1.592 -6.020 2.590) 6.744 21.602 ( -2.490 -18.846 5.241) 19.719 ======================= Grid point 113 (60/72) ======================= q-point: ( 0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 4.210 7.398 6.594) 10.767 1.416 ( 0.020 9.369 0.063) 9.370 1.431 ( 1.740 6.049 0.478) 6.312 1.539 ( 3.024 3.275 -3.727) 5.810 1.596 ( -0.239 2.876 -0.672) 2.963 1.748 ( -3.727 -2.740 1.206) 4.780 1.802 ( -3.726 4.520 -1.099) 5.960 1.941 ( 0.030 -0.274 -2.086) 2.104 2.057 ( -3.010 -0.238 3.703) 4.778 2.083 ( -2.724 -3.073 6.005) 7.275 2.126 ( -0.644 -3.783 1.518) 4.127 2.144 ( -2.553 0.157 -2.836) 3.819 2.336 ( -0.406 -2.535 -2.051) 3.286 2.436 ( 1.594 -5.883 3.039) 6.811 2.477 ( 3.066 -0.976 -2.971) 4.380 2.561 ( 4.252 -3.572 2.530) 6.102 2.593 ( 2.727 -3.644 2.149) 5.033 2.705 ( 2.342 -1.300 -2.181) 3.455 2.881 ( -0.265 4.413 0.305) 4.432 2.926 ( 5.856 1.835 0.400) 6.150 3.412 ( -2.667 8.843 1.168) 9.310 3.540 ( -1.219 -0.851 1.121) 1.862 3.672 ( -4.242 19.366 -9.555) 22.007 3.707 ( 4.800 21.552 5.239) 22.693 4.025 ( -4.761 -3.728 -11.037) 12.585 4.084 ( 3.267 -8.356 1.377) 9.077 4.269 ( -14.724 13.953 -15.272) 25.391 4.507 ( 7.969 8.728 13.019) 17.584 4.589 ( 3.559 -6.343 4.298) 8.448 4.661 ( 2.091 -9.326 -0.693) 9.582 4.791 ( 3.022 -7.794 -1.272) 8.455 4.985 ( -1.486 -11.453 1.927) 11.709 5.105 ( 6.018 -0.786 -3.241) 6.880 5.226 ( 2.555 -0.361 -1.714) 3.098 5.399 ( 5.927 -6.114 5.913) 10.367 5.532 ( -4.035 -4.276 0.364) 5.890 5.665 ( 2.358 5.317 2.485) 6.325 6.031 ( -3.002 3.432 3.920) 6.013 6.144 ( 1.105 -4.843 0.266) 4.974 6.208 ( -4.655 0.515 -5.621) 7.316 6.366 ( 2.585 2.632 1.994) 4.193 6.535 ( 2.702 2.531 2.265) 4.340 6.679 ( -0.663 5.851 -1.694) 6.128 6.777 ( -4.527 -4.714 2.676) 7.062 6.866 ( 1.311 -0.378 -1.498) 2.026 6.939 ( -0.251 3.237 -0.241) 3.256 7.021 ( 0.256 0.310 -1.186) 1.253 7.111 ( 4.432 0.963 1.600) 4.810 7.234 ( -0.033 1.679 1.732) 2.413 7.250 ( 0.186 1.610 1.185) 2.007 7.406 ( -1.678 6.521 -0.213) 6.737 7.440 ( 0.852 -3.356 0.677) 3.528 7.588 ( 0.758 6.086 -1.541) 6.324 7.687 ( -7.043 1.291 -1.609) 7.338 7.928 ( -0.937 5.098 -2.267) 5.657 8.043 ( 4.026 0.441 3.613) 5.427 8.706 ( -0.502 -1.748 -3.507) 3.951 9.030 ( 1.719 -3.900 2.076) 4.741 9.230 ( -0.475 -6.072 -1.680) 6.318 9.259 ( 0.977 -4.478 0.379) 4.599 9.544 ( 0.042 -3.853 0.472) 3.882 9.604 ( -3.085 -2.776 -1.454) 4.397 9.736 ( -1.962 -2.738 -2.894) 4.441 9.813 ( 5.088 -6.359 5.995) 10.113 9.988 ( 0.890 -3.172 0.647) 3.358 10.061 ( -0.033 -6.016 0.692) 6.056 10.327 ( -3.507 4.499 -3.759) 6.831 10.407 ( 3.315 3.523 4.879) 6.870 10.632 ( -1.069 18.302 -0.250) 18.335 10.703 ( -6.813 4.987 -6.803) 10.843 10.811 ( 3.161 0.059 5.952) 6.739 10.868 ( -0.068 10.406 2.174) 10.631 11.168 ( 0.166 18.130 -2.078) 18.249 11.394 ( -0.700 29.932 3.090) 30.099 11.484 ( -3.796 11.857 -5.862) 13.761 11.665 ( -4.253 -0.051 -5.288) 6.786 11.811 ( -18.693 8.219 -14.375) 24.973 12.285 ( 14.914 7.043 18.125) 24.506 13.103 ( -1.220 0.970 -4.224) 4.502 13.113 ( -0.311 -5.382 -0.556) 5.419 13.220 ( -2.439 1.068 -4.906) 5.582 13.351 ( 3.374 1.058 3.614) 5.056 13.596 ( -2.966 4.644 -3.583) 6.573 13.641 ( -1.904 6.090 -3.067) 7.079 14.421 ( 0.315 -11.300 13.523) 17.625 14.499 ( -7.254 -2.853 -7.139) 10.571 14.805 ( 13.485 -5.759 15.664) 21.456 15.018 ( -2.153 -9.066 -11.193) 14.564 15.373 ( 2.273 -38.358 5.194) 38.775 15.455 ( -1.465 -40.204 -4.626) 40.496 16.125 ( -6.519 -23.766 -9.747) 26.501 16.218 ( 7.536 -24.784 9.881) 27.724 16.429 ( -0.663 15.106 -6.430) 16.431 16.490 ( -0.601 8.360 0.703) 8.411 16.654 ( -3.830 12.850 -5.486) 14.487 17.116 ( 1.543 -0.526 1.970) 2.557 18.359 ( -11.617 9.826 -12.405) 19.631 18.739 ( 4.895 6.823 4.102) 9.346 18.868 ( -4.491 4.208 -6.338) 8.834 19.057 ( 7.606 -4.554 8.618) 12.363 19.425 ( -5.003 22.891 -5.287) 24.020 19.759 ( 5.105 9.434 -3.381) 11.247 20.250 ( -0.866 4.855 2.581) 5.567 20.513 ( -0.361 5.533 -3.065) 6.335 20.531 ( -7.737 -3.397 6.861) 10.885 20.797 ( -7.139 -3.312 -0.219) 7.873 21.080 ( 0.261 3.697 3.868) 5.357 21.900 ( 19.172 -20.473 7.901) 29.140 ======================= Grid point 114 (61/72) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -2.395 2.079 4.760) 5.720 1.337 ( -6.331 13.533 -1.410) 15.007 1.462 ( 0.383 2.588 0.508) 2.665 1.544 ( -3.135 -0.234 2.813) 4.218 1.626 ( 2.606 -0.122 -6.190) 6.717 1.707 ( 1.327 -0.162 4.127) 4.339 1.758 ( 0.740 0.007 -0.844) 1.122 1.945 ( 1.095 0.065 -4.058) 4.204 1.997 ( -2.174 0.048 2.690) 3.459 2.026 ( -1.789 -0.197 4.122) 4.498 2.104 ( -0.811 -1.858 0.888) 2.213 2.161 ( 1.708 -1.389 1.178) 2.496 2.342 ( 0.495 -1.246 -1.174) 1.782 2.433 ( -2.247 -8.874 5.128) 10.493 2.462 ( -1.731 -1.518 -3.607) 4.279 2.670 ( 4.385 2.992 0.766) 5.364 2.703 ( 7.301 -7.415 6.883) 12.476 2.830 ( 6.346 -0.303 2.612) 6.869 2.914 ( 5.214 1.775 1.112) 5.619 3.051 ( 5.941 3.837 -0.202) 7.075 3.374 ( -1.707 11.089 1.021) 11.266 3.448 ( -7.921 -0.316 -4.428) 9.081 3.581 ( -4.058 12.820 -9.083) 16.227 3.727 ( -5.584 18.713 -12.748) 23.321 3.922 ( -1.905 7.659 -1.961) 8.133 4.023 ( -7.096 9.775 -7.532) 14.236 4.117 ( 0.701 -3.706 -1.650) 4.117 4.587 ( 3.688 -4.923 2.434) 6.615 4.667 ( 2.294 -11.548 -0.208) 11.775 4.818 ( -1.701 -7.207 -3.687) 8.272 4.827 ( 8.971 3.837 9.376) 13.532 5.018 ( 5.727 -2.889 6.865) 9.396 5.161 ( -0.076 -2.941 2.405) 3.800 5.309 ( 3.958 -1.352 -3.108) 5.211 5.452 ( 3.111 -2.642 0.438) 4.105 5.594 ( 5.759 -4.602 5.970) 9.486 5.737 ( 6.000 -0.141 2.045) 6.340 5.922 ( -6.804 0.501 4.241) 8.033 6.103 ( -2.002 -0.733 -10.730) 10.940 6.201 ( 0.722 -1.037 3.678) 3.889 6.443 ( 3.778 -2.790 1.835) 5.042 6.539 ( -2.826 0.001 1.184) 3.064 6.627 ( -4.019 4.070 -1.455) 5.902 6.690 ( -2.297 -3.524 4.904) 6.461 6.909 ( 1.555 -1.155 0.156) 1.943 6.973 ( 2.961 2.262 1.797) 4.137 7.030 ( -0.143 4.097 -0.863) 4.189 7.097 ( -2.777 0.967 -2.412) 3.804 7.236 ( -0.704 2.686 2.306) 3.609 7.297 ( 2.309 3.540 1.871) 4.623 7.357 ( -2.540 5.622 -3.244) 6.970 7.453 ( 0.091 0.570 3.045) 3.099 7.567 ( -3.008 0.967 -0.875) 3.278 7.626 ( 3.021 4.040 -1.399) 5.235 7.950 ( 3.004 4.881 1.538) 5.934 8.051 ( -3.743 -1.249 -2.976) 4.943 8.715 ( 2.522 -0.488 -1.724) 3.094 9.083 ( 2.480 -1.030 3.017) 4.038 9.220 ( -0.386 -6.406 -2.012) 6.726 9.265 ( -0.100 -5.053 0.280) 5.062 9.543 ( -3.085 -3.129 -3.076) 5.364 9.555 ( 1.800 3.041 2.218) 4.172 9.744 ( 2.264 -1.529 3.367) 4.336 9.874 ( 0.602 -6.978 1.297) 7.123 10.008 ( 0.731 -2.032 0.872) 2.329 10.079 ( 1.940 -5.742 3.206) 6.856 10.251 ( -3.691 2.473 -3.940) 5.938 10.477 ( 2.047 6.843 4.351) 8.363 10.549 ( -6.598 18.429 -8.176) 21.214 10.612 ( -2.107 6.044 -2.000) 6.706 10.832 ( 0.637 5.194 3.258) 6.164 10.912 ( 2.417 0.313 5.570) 6.080 10.996 ( -17.678 23.981 -19.714) 35.724 11.332 ( -1.564 14.915 -3.847) 15.483 11.409 ( -0.921 20.387 4.673) 20.936 11.518 ( -2.402 10.790 -0.701) 11.076 11.730 ( 0.612 -6.990 2.546) 7.464 12.590 ( 14.752 10.397 21.491) 28.064 12.835 ( -18.949 -11.232 -23.992) 32.571 13.171 ( 1.866 -0.057 -2.375) 3.021 13.227 ( 2.685 5.492 1.759) 6.361 13.420 ( 2.635 0.398 0.979) 2.839 13.513 ( -2.768 0.561 -7.004) 7.553 13.581 ( -3.536 11.768 -2.990) 12.646 14.454 ( 3.669 -9.516 7.289) 12.536 14.503 ( 4.332 -8.979 9.358) 13.673 14.869 ( -10.782 -7.189 -5.088) 13.922 15.168 ( 18.566 -14.897 22.876) 33.014 15.378 ( -0.703 -33.654 1.154) 33.681 15.456 ( 1.517 -28.727 2.724) 28.895 15.985 ( -7.318 -11.128 -10.465) 16.938 16.244 ( -9.136 3.574 -13.222) 16.463 16.350 ( 2.815 -24.492 4.479) 25.057 16.464 ( -7.086 3.489 -11.328) 13.810 16.626 ( 3.064 8.044 1.643) 8.763 17.147 ( -0.041 -5.590 -0.047) 5.591 18.140 ( -8.330 18.165 -10.103) 22.393 18.736 ( -2.772 11.004 -4.886) 12.355 18.889 ( 5.422 5.396 10.000) 12.590 19.184 ( 2.208 3.547 1.448) 4.422 19.297 ( -5.548 18.070 -4.294) 19.384 19.714 ( -6.293 4.326 6.343) 9.927 20.225 ( -0.497 4.741 2.355) 5.317 20.506 ( -0.810 3.618 -0.895) 3.814 20.546 ( 2.824 -3.580 -1.743) 4.881 20.662 ( -2.475 -2.619 -3.761) 5.209 21.172 ( 6.233 7.204 1.090) 9.588 22.235 ( 13.208 -23.050 8.350) 27.847 ======================= Grid point 115 (62/72) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -2.974 2.320 1.090) 3.926 1.206 ( -5.014 8.830 0.290) 10.159 1.474 ( 0.540 1.266 0.427) 1.441 1.503 ( -0.665 -0.856 3.623) 3.782 1.629 ( -1.216 -2.101 1.575) 2.894 1.767 ( 2.506 -0.665 -0.812) 2.717 1.797 ( 1.439 0.806 0.537) 1.735 1.971 ( 0.389 -0.730 -0.341) 0.895 1.987 ( 1.875 0.377 0.973) 2.146 2.046 ( 0.087 1.048 2.412) 2.631 2.093 ( 4.077 3.166 4.678) 6.966 2.192 ( 0.652 -2.770 1.900) 3.422 2.328 ( -1.078 -1.579 -0.873) 2.102 2.388 ( -3.885 2.233 0.703) 4.536 2.421 ( -1.279 -5.902 -3.064) 6.772 2.739 ( 2.394 5.223 -0.144) 5.748 2.843 ( 6.005 -8.318 5.943) 11.856 2.912 ( 2.623 7.031 0.017) 7.504 3.039 ( 4.248 -7.610 8.488) 12.165 3.148 ( 2.291 3.350 -1.227) 4.240 3.193 ( -11.607 11.366 -17.902) 24.174 3.380 ( -0.524 15.435 1.142) 15.487 3.485 ( -4.171 -3.728 -5.762) 8.031 3.624 ( -2.141 2.284 -6.909) 7.585 3.887 ( -2.528 17.188 -5.444) 18.206 3.985 ( 1.556 11.047 2.864) 11.518 4.130 ( 0.695 0.410 -1.997) 2.154 4.634 ( 0.177 -9.894 -0.586) 9.913 4.720 ( 1.588 -9.439 -2.689) 9.942 4.761 ( -1.814 -6.183 -1.169) 6.549 4.903 ( -0.025 2.603 3.764) 4.577 5.153 ( 5.423 -0.185 1.202) 5.558 5.190 ( 1.691 -1.912 3.148) 4.053 5.351 ( 4.730 -2.323 4.639) 7.021 5.525 ( -1.907 -0.703 2.427) 3.166 5.707 ( 6.082 1.400 4.016) 7.421 5.786 ( -2.189 -1.855 0.650) 2.942 5.912 ( 6.134 -8.849 1.457) 10.865 6.071 ( -1.528 -0.847 -6.513) 6.744 6.206 ( 0.706 -2.285 1.064) 2.618 6.377 ( -9.491 -4.892 -3.616) 11.273 6.523 ( 2.073 -2.307 3.298) 4.528 6.584 ( 0.582 7.545 4.935) 9.035 6.679 ( -1.464 1.302 1.913) 2.738 6.916 ( -0.361 1.544 -1.571) 2.232 6.982 ( -0.198 2.594 -1.976) 3.267 7.034 ( 1.441 2.532 4.544) 5.398 7.119 ( 3.096 -2.914 2.711) 5.042 7.209 ( -1.663 1.989 0.473) 2.635 7.301 ( -1.076 6.585 -2.552) 7.143 7.336 ( 0.307 2.733 -3.395) 4.369 7.446 ( -1.541 1.312 1.179) 2.342 7.538 ( 0.952 0.436 3.662) 3.809 7.700 ( 3.010 1.172 -0.668) 3.298 7.902 ( -7.516 4.037 -5.209) 9.996 8.055 ( 4.315 2.362 0.510) 4.945 8.789 ( 3.623 -0.228 1.349) 3.872 9.114 ( 0.699 2.699 1.678) 3.254 9.211 ( -0.521 -7.495 -1.826) 7.732 9.285 ( 2.612 -1.051 4.913) 5.662 9.481 ( -2.601 -0.942 -4.210) 5.037 9.605 ( 2.110 7.837 3.587) 8.873 9.795 ( 1.825 -6.513 1.568) 6.944 9.880 ( 1.581 -1.681 2.727) 3.572 10.004 ( -1.274 -1.577 -1.232) 2.373 10.105 ( -3.339 -2.432 -2.974) 5.090 10.165 ( -2.995 6.823 -5.762) 9.419 10.349 ( -8.690 15.223 -11.174) 20.787 10.511 ( -0.614 2.168 0.895) 2.424 10.575 ( -0.752 4.251 -1.147) 4.466 10.733 ( -4.466 28.663 -6.542) 29.738 10.886 ( 2.998 8.330 3.456) 9.504 10.956 ( 1.475 -2.204 4.509) 5.231 11.306 ( -1.363 -1.071 -2.191) 2.794 11.423 ( 1.368 16.707 4.591) 17.380 11.546 ( 5.258 15.169 12.108) 20.108 11.745 ( 0.672 -8.219 1.252) 8.341 12.395 ( -20.784 -18.003 -31.192) 41.581 12.917 ( 14.805 15.053 20.946) 29.741 13.186 ( -0.156 3.835 -3.190) 4.991 13.263 ( -0.062 10.706 0.665) 10.727 13.443 ( 0.152 0.250 -0.368) 0.470 13.493 ( -1.200 5.661 -3.616) 6.824 13.532 ( -0.142 2.557 -1.911) 3.196 14.553 ( 4.292 -10.634 2.302) 11.697 14.596 ( 2.797 -21.239 6.782) 22.470 14.650 ( -7.705 -0.347 2.833) 8.217 15.277 ( -3.100 -38.512 -3.351) 38.782 15.504 ( 5.353 -4.796 8.840) 11.393 15.624 ( 16.949 -10.791 26.336) 33.125 15.843 ( -4.782 1.361 -6.726) 8.364 16.076 ( -8.031 -0.821 -11.559) 14.099 16.223 ( -7.441 -19.511 -11.849) 24.009 16.495 ( 3.447 -18.074 5.321) 19.154 16.613 ( -4.389 -3.527 -10.558) 11.966 17.098 ( -3.930 -13.162 -5.529) 14.807 18.039 ( -1.731 26.874 -3.084) 27.106 18.722 ( 1.713 18.342 1.632) 18.494 19.009 ( 4.356 10.367 8.252) 13.948 19.081 ( -6.229 18.435 -6.182) 20.418 19.269 ( -1.376 5.498 -1.984) 6.005 19.638 ( -0.546 -3.233 7.582) 8.261 20.234 ( 0.839 4.943 0.110) 5.015 20.478 ( -2.158 1.361 3.562) 4.382 20.520 ( -0.947 0.740 -2.020) 2.351 20.696 ( 1.111 -5.732 -3.820) 6.977 21.285 ( 4.376 7.475 -4.647) 9.830 22.428 ( 5.680 -24.257 5.986) 25.622 ======================= Grid point 116 (63/72) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 3.486 11.289 0.299) 11.819 1.215 ( 5.840 -1.365 -0.311) 6.006 1.472 ( -0.748 1.032 0.321) 1.314 1.521 ( 2.086 -0.806 2.552) 3.393 1.583 ( -3.546 -0.791 4.714) 5.952 1.764 ( -1.719 -0.814 0.528) 1.974 1.823 ( 0.425 1.134 -1.598) 2.005 1.963 ( -2.314 0.405 0.038) 2.350 2.012 ( -0.554 -0.472 -0.393) 0.827 2.040 ( 2.510 1.796 1.380) 3.381 2.139 ( -4.056 3.190 2.379) 5.683 2.238 ( -1.081 -3.091 4.093) 5.242 2.304 ( 2.634 -0.785 -4.323) 5.123 2.354 ( 1.791 5.705 1.057) 6.072 2.430 ( 4.718 -2.755 0.307) 5.472 2.755 ( -0.834 7.704 2.768) 8.229 2.892 ( -3.913 0.971 -0.443) 4.055 2.940 ( 2.531 5.369 2.783) 6.556 2.972 ( -7.544 12.690 -15.661) 21.523 3.111 ( 1.841 -2.560 6.840) 7.532 3.161 ( -0.795 -10.398 1.113) 10.487 3.365 ( -1.247 12.059 -0.865) 12.154 3.451 ( 0.347 -9.718 -0.742) 9.752 3.609 ( 0.267 -3.427 -3.785) 5.113 3.848 ( -0.912 21.667 -4.016) 22.054 4.017 ( 1.192 13.180 0.811) 13.259 4.140 ( 0.260 1.951 -2.541) 3.214 4.615 ( -0.621 -11.053 0.280) 11.074 4.705 ( -3.336 -8.883 -0.351) 9.495 4.729 ( -1.053 -3.803 1.086) 4.093 4.938 ( 3.038 -0.495 -0.101) 3.080 5.168 ( -1.471 0.579 -0.419) 1.636 5.249 ( 2.662 -3.885 -3.398) 5.808 5.444 ( -5.485 -2.424 -1.640) 6.217 5.493 ( 6.839 0.614 5.076) 8.539 5.603 ( -8.473 0.254 8.098) 11.724 5.895 ( -0.050 -3.832 -0.597) 3.879 5.944 ( 1.112 -3.770 2.598) 4.712 6.009 ( -4.391 -9.366 -8.849) 13.613 6.233 ( -2.186 0.269 -1.202) 2.509 6.301 ( 7.452 -1.737 3.735) 8.514 6.563 ( -1.433 0.254 0.676) 1.605 6.604 ( 0.321 6.431 2.764) 7.007 6.658 ( 4.426 5.775 3.507) 8.078 6.900 ( -1.834 0.687 -2.334) 3.047 6.995 ( 0.113 -0.939 -1.391) 1.682 7.057 ( 0.607 2.563 3.795) 4.620 7.169 ( 0.126 -5.188 -1.449) 5.388 7.192 ( 1.171 4.755 3.153) 5.825 7.279 ( -0.866 3.462 -3.059) 4.700 7.329 ( -0.904 2.525 -2.504) 3.669 7.426 ( 1.014 1.107 1.938) 2.451 7.596 ( 1.871 1.270 0.422) 2.301 7.721 ( -1.522 -3.819 -2.639) 4.886 7.814 ( 2.124 10.671 1.747) 11.020 8.080 ( -2.459 0.946 -1.816) 3.199 8.817 ( -1.382 -0.694 -0.754) 1.721 9.128 ( 0.791 4.011 0.712) 4.149 9.197 ( -0.714 -8.137 -0.947) 8.223 9.357 ( 2.178 2.084 3.497) 4.617 9.447 ( -0.594 0.482 -1.404) 1.599 9.632 ( 1.953 7.468 1.895) 7.949 9.823 ( -0.724 1.479 -2.571) 3.054 9.931 ( -0.475 4.831 -0.790) 4.918 9.948 ( 0.426 4.821 0.242) 4.846 9.969 ( -2.408 -0.655 -3.309) 4.144 10.161 ( -0.439 -0.989 -0.160) 1.094 10.274 ( 0.233 3.100 -0.615) 3.169 10.502 ( 0.272 0.720 0.299) 0.826 10.579 ( 0.706 5.274 0.053) 5.321 10.714 ( 1.422 30.646 -2.655) 30.793 10.928 ( 0.690 12.020 -1.064) 12.086 10.984 ( 1.083 -0.583 2.322) 2.628 11.291 ( -0.053 -5.717 -0.903) 5.788 11.446 ( 1.082 18.558 0.339) 18.593 11.736 ( 6.043 -4.216 11.696) 13.824 11.779 ( 8.673 3.951 13.304) 16.366 12.012 ( -14.717 -20.654 -25.452) 35.930 13.133 ( 1.792 11.589 5.919) 13.136 13.168 ( -2.570 12.234 -1.811) 12.631 13.245 ( 2.873 6.128 -0.911) 6.829 13.430 ( -1.534 0.708 0.752) 1.849 13.477 ( 0.088 8.870 -0.917) 8.918 13.521 ( -1.877 -1.819 -2.924) 3.922 14.486 ( -3.063 0.072 8.823) 9.340 14.654 ( 2.802 -11.203 1.498) 11.645 14.690 ( 4.373 -21.547 -2.141) 22.090 15.224 ( -1.292 -38.906 1.230) 38.947 15.649 ( 8.179 14.367 11.455) 20.112 15.689 ( -6.539 19.552 -8.758) 22.400 15.924 ( -1.107 -17.686 -1.970) 17.830 16.007 ( 8.938 -13.393 13.694) 21.138 16.131 ( -2.989 -30.838 -5.103) 31.400 16.398 ( -7.560 -10.855 -11.616) 17.604 16.594 ( 0.630 -14.401 1.069) 14.454 17.034 ( -1.216 -17.518 -1.573) 17.630 18.037 ( 0.840 29.936 -1.410) 29.981 18.776 ( 1.030 24.173 0.770) 24.207 18.940 ( -1.211 21.012 -0.600) 21.056 19.144 ( 3.521 12.210 7.511) 14.762 19.210 ( -2.520 1.946 -5.058) 5.977 19.680 ( 3.438 -7.001 3.774) 8.665 20.253 ( 1.294 4.495 -1.623) 4.951 20.439 ( -1.683 0.747 4.667) 5.017 20.543 ( 3.213 1.117 -1.996) 3.944 20.664 ( -3.587 -2.262 -1.088) 4.378 21.325 ( -0.420 5.582 -7.626) 9.460 22.466 ( -2.214 -25.862 2.572) 26.084 ======================= Grid point 117 (64/72) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 5.156 8.500 0.559) 9.958 1.341 ( 3.012 4.449 -0.628) 5.409 1.457 ( -0.501 3.426 0.816) 3.557 1.509 ( -2.015 0.956 3.899) 4.492 1.564 ( 1.332 -0.129 1.799) 2.242 1.736 ( -0.304 1.572 1.193) 1.997 1.798 ( -1.668 0.347 -2.084) 2.692 1.873 ( -5.037 7.175 1.052) 8.829 2.025 ( 1.987 1.455 0.827) 2.598 2.067 ( 1.179 3.462 -0.298) 3.669 2.121 ( 1.211 -1.307 -0.690) 1.911 2.182 ( -1.087 -5.322 -1.444) 5.621 2.356 ( 1.129 -3.265 -2.225) 4.110 2.373 ( 1.950 -0.191 3.781) 4.259 2.540 ( 0.811 -0.204 -4.426) 4.504 2.734 ( -8.672 6.104 -2.023) 10.796 2.794 ( -8.401 4.917 -9.437) 13.558 2.806 ( 5.046 7.429 8.867) 12.620 3.039 ( -6.830 -14.696 -8.399) 18.253 3.045 ( 0.673 5.183 4.601) 6.963 3.200 ( 6.777 3.554 7.815) 10.938 3.347 ( 0.436 17.163 4.857) 17.842 3.475 ( 2.003 -10.608 4.972) 11.885 3.611 ( -0.204 -4.683 -5.351) 7.114 3.872 ( 3.882 23.002 1.320) 23.364 4.026 ( -0.368 11.574 -2.667) 11.883 4.139 ( -0.090 -0.771 -3.452) 3.539 4.594 ( -4.039 -9.886 1.793) 10.829 4.650 ( 1.614 -8.368 0.728) 8.553 4.740 ( 1.616 -4.942 1.942) 5.550 4.950 ( -2.619 0.461 -2.306) 3.520 5.139 ( -2.474 -0.032 -4.717) 5.327 5.257 ( -6.229 -4.982 -1.692) 8.154 5.296 ( -5.334 -6.376 -4.679) 9.539 5.421 ( -3.980 1.192 3.645) 5.527 5.655 ( 5.007 -1.688 -0.251) 5.290 5.774 ( -8.292 -7.138 -1.110) 10.997 5.886 ( -2.158 -1.300 9.638) 9.962 6.049 ( 4.126 1.920 -7.946) 9.157 6.236 ( 0.970 -0.708 0.082) 1.204 6.411 ( 0.673 -3.014 4.734) 5.652 6.544 ( 2.993 -0.821 0.504) 3.144 6.614 ( 0.219 9.091 0.168) 9.095 6.767 ( 1.970 -1.474 -1.659) 2.967 6.874 ( 0.389 3.925 4.305) 5.839 6.973 ( -1.266 0.310 -1.730) 2.166 7.053 ( -1.098 2.455 -0.525) 2.741 7.130 ( -1.814 -1.898 -4.055) 4.830 7.234 ( 1.778 1.616 2.758) 3.658 7.286 ( 1.775 3.331 0.502) 3.808 7.340 ( 1.844 3.690 -0.962) 4.236 7.462 ( 1.497 0.181 2.997) 3.355 7.574 ( -1.951 8.554 -2.246) 9.057 7.652 ( -4.392 -3.848 -3.659) 6.891 7.969 ( 9.526 0.017 4.390) 10.489 7.992 ( -4.682 2.977 -2.189) 5.964 8.737 ( -5.617 0.411 -2.966) 6.366 9.129 ( -1.003 1.404 -1.862) 2.539 9.191 ( 0.158 -7.114 0.914) 7.175 9.330 ( -3.093 0.187 -5.124) 5.988 9.464 ( 2.431 0.485 2.951) 3.854 9.656 ( -2.992 10.940 -7.116) 13.390 9.776 ( 0.663 -6.571 1.933) 6.881 9.901 ( -2.520 0.659 -3.429) 4.306 9.998 ( 1.568 -1.801 2.347) 3.348 10.086 ( 11.001 10.109 13.208) 19.942 10.141 ( -1.121 -1.481 -1.032) 2.125 10.321 ( 4.945 9.299 5.684) 11.968 10.531 ( 2.383 -1.076 1.717) 3.128 10.592 ( 0.345 6.300 -1.238) 6.430 10.776 ( 5.031 20.861 -0.770) 21.473 10.937 ( 1.817 16.300 -3.502) 16.771 10.988 ( -0.864 4.419 -0.991) 4.610 11.297 ( 0.333 -4.888 -0.165) 4.902 11.482 ( 2.948 14.689 -0.286) 14.985 11.692 ( -11.783 11.251 -18.429) 24.598 11.761 ( 0.457 -8.088 -0.442) 8.113 12.207 ( 22.927 -17.001 31.484) 42.497 13.012 ( -10.664 13.319 -14.854) 22.622 13.101 ( -2.549 3.167 2.279) 4.661 13.333 ( 0.269 9.324 -4.006) 10.152 13.398 ( -0.239 2.434 2.002) 3.160 13.443 ( -2.762 -6.103 -2.153) 7.036 13.509 ( 1.904 12.806 3.699) 13.465 14.494 ( 1.788 4.623 8.516) 9.853 14.665 ( -0.186 -17.633 -5.232) 18.394 14.798 ( 4.977 -12.174 -1.735) 13.266 15.233 ( 1.580 -39.061 5.062) 39.419 15.542 ( -5.575 10.782 -6.828) 13.927 15.788 ( -3.026 2.982 -4.969) 6.537 15.804 ( -11.771 -13.249 -11.084) 20.903 16.023 ( 5.914 -6.586 6.863) 11.200 16.164 ( 5.208 -27.165 7.171) 28.574 16.468 ( 9.071 -8.087 13.748) 18.349 16.550 ( -4.346 -16.087 -4.959) 17.386 17.067 ( 3.824 -15.474 5.529) 16.871 18.067 ( 2.828 28.692 -1.810) 28.888 18.730 ( -2.798 20.176 -4.145) 20.787 19.038 ( 6.948 22.412 8.861) 25.082 19.086 ( -4.757 9.703 -5.992) 12.356 19.255 ( 2.971 2.441 2.867) 4.797 19.733 ( 0.317 -3.825 3.756) 5.370 20.288 ( 1.961 4.336 -3.153) 5.709 20.425 ( 0.768 1.838 3.377) 3.921 20.588 ( -2.216 0.892 -1.258) 2.700 20.650 ( 7.377 -0.340 -2.902) 7.934 21.265 ( -4.999 3.160 -7.267) 9.370 22.330 ( -11.679 -27.819 -0.212) 30.172 ======================= Grid point 118 (65/72) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -6.118 3.839 4.833) 8.691 1.381 ( -0.212 14.239 2.753) 14.504 1.406 ( -1.440 6.037 1.322) 6.345 1.513 ( -1.213 3.215 -2.146) 4.052 1.590 ( 1.603 3.177 0.096) 3.560 1.766 ( 1.577 1.176 1.719) 2.613 1.801 ( 1.536 2.547 -1.429) 3.300 1.842 ( 2.937 6.294 4.019) 8.025 2.093 ( 4.101 3.611 1.256) 5.607 2.100 ( 1.519 -1.312 0.560) 2.084 2.136 ( 1.263 -4.269 -2.228) 4.978 2.195 ( 0.434 -2.126 -1.086) 2.427 2.362 ( 0.143 -1.660 -0.095) 1.669 2.421 ( 0.838 -1.192 -0.584) 1.569 2.513 ( -2.155 -1.073 -1.208) 2.694 2.572 ( -6.330 2.973 -0.957) 7.059 2.620 ( -5.590 -0.509 -1.690) 5.862 2.826 ( -10.997 -17.407 -13.247) 24.483 2.892 ( -0.129 1.868 -0.370) 1.908 2.981 ( -3.365 6.078 -3.428) 7.747 3.384 ( 3.330 18.386 5.831) 19.574 3.440 ( 9.432 5.858 12.984) 17.084 3.525 ( 2.212 -2.957 7.373) 8.245 3.640 ( 5.576 7.131 1.423) 9.163 3.955 ( 0.391 13.729 -2.522) 13.964 4.040 ( 5.738 10.076 4.330) 12.377 4.138 ( 0.026 -4.701 -3.090) 5.625 4.544 ( 0.059 -6.603 1.183) 6.709 4.686 ( 0.932 -13.970 -0.343) 14.006 4.773 ( -0.735 -5.780 -0.389) 5.839 4.836 ( -8.344 3.149 -9.675) 13.158 5.018 ( -4.322 -0.842 -1.619) 4.692 5.083 ( -7.545 -2.088 -2.363) 8.178 5.232 ( -3.376 -10.008 -2.311) 10.812 5.417 ( -0.234 -4.067 2.673) 4.872 5.615 ( -2.543 -3.793 -4.811) 6.633 5.695 ( -3.768 5.045 -0.741) 6.340 5.925 ( 5.271 1.248 10.395) 11.722 6.146 ( 5.160 1.411 -3.527) 6.407 6.234 ( -1.362 -3.825 -1.245) 4.246 6.375 ( -2.479 3.122 1.109) 4.137 6.579 ( -1.898 4.468 -1.568) 5.101 6.641 ( 1.864 5.188 1.673) 5.761 6.788 ( 3.492 -3.473 2.237) 5.410 6.846 ( -2.800 0.405 0.475) 2.869 6.948 ( -1.355 1.646 -0.967) 2.341 7.020 ( -2.000 1.297 -1.841) 3.012 7.129 ( -0.217 0.679 -1.514) 1.674 7.253 ( -0.038 -0.032 1.108) 1.109 7.304 ( -1.631 2.523 -2.847) 4.139 7.382 ( 2.412 4.783 1.017) 5.453 7.454 ( -1.508 -1.871 1.047) 2.622 7.556 ( 0.007 5.478 -0.322) 5.488 7.646 ( 5.442 1.165 2.475) 6.091 7.919 ( -2.540 4.876 -1.185) 5.624 8.097 ( 1.546 -2.412 -1.099) 3.069 8.650 ( -1.425 0.983 0.399) 1.776 9.094 ( -2.196 -1.196 -3.204) 4.064 9.197 ( 0.525 -6.615 1.118) 6.729 9.278 ( -1.716 -3.237 -2.593) 4.489 9.538 ( 4.002 -1.663 4.662) 6.365 9.579 ( -2.379 5.834 -4.242) 7.596 9.761 ( -2.589 -2.086 -3.190) 4.608 9.875 ( -0.896 -5.906 -0.477) 5.992 10.005 ( -0.689 -2.659 -0.329) 2.766 10.097 ( -2.128 -5.996 -2.521) 6.844 10.241 ( 3.992 3.765 4.783) 7.280 10.482 ( 6.932 21.427 9.608) 24.484 10.536 ( -1.570 5.929 -2.579) 6.653 10.624 ( 3.084 1.862 2.466) 4.366 10.872 ( 2.503 3.287 1.160) 4.291 10.945 ( -2.911 2.318 -3.850) 5.355 11.109 ( 13.089 22.271 1.986) 25.909 11.294 ( 1.143 4.299 1.748) 4.779 11.494 ( -6.255 22.699 -7.962) 24.855 11.577 ( 6.223 10.198 1.207) 12.008 11.774 ( 1.662 -5.293 -1.034) 5.643 12.637 ( 5.249 -4.209 7.315) 9.938 12.798 ( 1.472 3.825 -0.164) 4.102 13.064 ( -0.886 0.114 3.837) 3.940 13.259 ( -4.720 0.815 -7.402) 8.817 13.357 ( -1.965 1.774 1.368) 2.980 13.498 ( 4.981 1.828 2.952) 6.072 13.564 ( 2.862 13.917 4.928) 15.039 14.493 ( -2.495 6.094 1.484) 6.750 14.699 ( 4.343 -11.814 -11.085) 16.772 14.834 ( -1.725 -7.739 1.777) 8.126 15.243 ( -6.925 -26.633 -10.227) 29.358 15.361 ( -14.317 -25.649 -12.027) 31.741 15.494 ( -1.006 -19.349 -4.120) 19.809 15.874 ( 5.532 -1.849 12.925) 14.180 16.163 ( 6.103 -6.798 9.204) 12.968 16.337 ( 9.124 -9.597 12.436) 18.166 16.427 ( -4.433 -15.773 -5.251) 17.205 16.620 ( 3.733 2.341 2.678) 5.156 17.141 ( 2.064 -8.875 2.738) 9.515 18.188 ( 10.065 20.753 2.186) 23.168 18.709 ( 0.806 14.361 1.038) 14.421 18.951 ( -7.254 7.245 -9.027) 13.660 19.155 ( 0.388 7.269 1.801) 7.499 19.318 ( 5.113 14.203 3.442) 15.483 19.674 ( -5.005 6.718 3.982) 9.276 20.307 ( -0.305 5.088 -1.251) 5.249 20.460 ( 1.616 6.101 1.077) 6.403 20.622 ( 5.525 -2.050 -1.864) 6.180 20.853 ( 11.489 -5.831 -4.846) 13.765 21.146 ( -4.451 1.552 -3.195) 5.694 21.987 ( -22.115 -26.657 0.355) 34.638 ======================= Grid point 119 (66/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.476 7.710 1.335) 7.839 1.450 ( 0.115 -0.630 -0.256) 0.690 1.581 ( 0.709 4.455 -0.480) 4.537 1.604 ( -0.450 5.258 -0.995) 5.370 1.668 ( -0.305 2.473 0.556) 2.553 1.724 ( -1.250 -2.963 0.577) 3.267 1.927 ( -1.073 0.408 -1.161) 1.633 1.954 ( 0.994 4.599 0.112) 4.706 2.009 ( -3.892 -7.115 -5.623) 9.869 2.042 ( 0.491 -4.349 -0.187) 4.381 2.164 ( -2.566 1.331 0.988) 3.055 2.204 ( -2.518 -1.676 0.514) 3.069 2.336 ( -1.200 1.461 -1.044) 2.160 2.363 ( -1.300 -0.177 0.258) 1.337 2.404 ( -2.229 -3.157 -4.354) 5.821 2.436 ( 1.720 -0.901 1.004) 2.186 2.515 ( 0.077 -0.356 1.452) 1.497 2.579 ( 3.730 -5.139 0.364) 6.361 2.943 ( 0.058 6.108 1.340) 6.254 3.014 ( -1.608 1.435 -2.011) 2.948 3.400 ( 0.386 -1.228 1.527) 1.997 3.480 ( -1.188 -5.986 -2.002) 6.422 3.868 ( 8.361 5.559 9.150) 13.584 3.955 ( 5.156 2.726 8.537) 10.339 4.110 ( 4.111 11.813 2.191) 12.699 4.284 ( -2.276 8.809 -6.213) 11.018 4.316 ( 0.610 -7.056 2.655) 7.564 4.415 ( -3.773 1.572 -5.996) 7.257 4.516 ( 7.322 -5.217 4.256) 9.947 4.595 ( -1.295 4.394 1.764) 4.909 4.731 ( -3.159 -9.103 -3.548) 10.268 4.771 ( -7.191 -1.846 -11.146) 13.392 5.098 ( 1.666 2.539 -0.432) 3.067 5.125 ( 1.156 -0.763 0.021) 1.386 5.344 ( -1.234 1.699 0.822) 2.255 5.455 ( -1.456 -7.654 -0.176) 7.793 5.804 ( -1.385 8.715 0.138) 8.826 5.979 ( -1.268 -8.282 -0.017) 8.378 6.171 ( 3.626 7.742 5.288) 10.053 6.284 ( 1.397 -1.512 -1.433) 2.508 6.440 ( -1.865 2.451 -0.987) 3.234 6.507 ( -4.098 -2.945 -2.904) 5.822 6.802 ( 2.180 3.334 2.483) 4.694 6.820 ( 0.980 1.850 1.066) 2.349 6.886 ( 0.480 6.629 0.824) 6.697 6.941 ( -0.418 -1.612 2.519) 3.020 6.977 ( 0.727 -3.157 0.364) 3.260 7.046 ( -2.346 -2.896 -2.400) 4.433 7.212 ( -0.288 -0.152 1.368) 1.406 7.254 ( -0.766 -3.454 -1.907) 4.019 7.446 ( -0.109 4.008 -0.014) 4.009 7.487 ( 0.340 0.612 -0.045) 0.701 7.699 ( 1.617 4.846 1.694) 5.383 7.760 ( 2.097 -1.496 0.599) 2.645 7.959 ( -0.600 4.130 -0.744) 4.239 8.049 ( -0.620 -3.239 -1.303) 3.546 8.763 ( 0.887 8.826 0.294) 8.875 8.962 ( -1.636 -7.967 -2.679) 8.563 9.092 ( -0.681 -1.144 -0.619) 1.468 9.152 ( -1.271 -4.959 -1.686) 5.390 9.540 ( -1.812 1.865 -2.310) 3.479 9.590 ( -0.967 -1.097 -1.861) 2.367 9.646 ( -0.520 -4.116 0.403) 4.169 9.673 ( -3.792 -5.328 -2.961) 7.179 9.945 ( 0.243 -0.474 0.263) 0.594 9.971 ( 0.271 -3.027 0.213) 3.046 10.421 ( 4.463 6.211 5.322) 9.318 10.521 ( -1.347 0.135 -1.557) 2.063 10.634 ( 0.541 -0.050 0.222) 0.586 10.733 ( -5.601 -5.619 -5.776) 9.814 10.940 ( 0.572 8.452 -0.177) 8.474 11.026 ( 1.251 1.054 0.589) 1.739 11.416 ( 0.698 4.107 0.371) 4.183 11.527 ( -0.095 -6.414 0.600) 6.443 11.892 ( 8.758 24.606 13.348) 29.331 12.011 ( 16.830 10.531 20.666) 28.657 12.206 ( -2.241 25.634 -6.295) 26.491 12.523 ( -16.681 3.110 -22.755) 28.385 12.993 ( 8.587 0.433 12.111) 14.852 13.052 ( 0.762 -1.139 1.728) 2.205 13.203 ( 4.367 3.163 5.461) 7.674 13.369 ( 0.707 -2.020 -0.893) 2.318 13.534 ( -0.197 -6.466 -1.112) 6.564 13.631 ( -4.678 -13.042 -6.591) 15.344 14.424 ( -9.654 -0.833 4.827) 10.826 14.525 ( -6.902 -13.913 -2.400) 15.715 14.726 ( 5.233 0.919 -4.597) 7.026 14.805 ( 0.496 -3.453 -6.475) 7.355 14.836 ( 1.371 -2.375 -3.693) 4.599 14.984 ( -7.188 -7.106 -11.346) 15.195 15.599 ( 1.693 -14.889 2.128) 15.135 15.735 ( -7.194 -22.311 -9.809) 25.412 16.550 ( 9.067 11.292 13.180) 19.581 16.673 ( 3.701 0.171 2.039) 4.229 16.870 ( 7.975 10.725 11.228) 17.455 17.053 ( 3.300 -6.480 4.591) 8.600 18.593 ( 0.796 8.213 -3.114) 8.819 18.755 ( -5.874 -6.020 -7.406) 11.206 18.936 ( 0.104 5.003 -0.684) 5.050 19.005 ( -4.533 -1.754 -6.390) 8.028 19.773 ( 3.855 9.489 1.368) 10.333 19.829 ( 3.139 3.977 1.078) 5.180 20.408 ( -2.733 7.276 2.748) 8.244 20.565 ( -3.384 -7.621 2.859) 8.815 20.665 ( 1.192 8.028 -2.160) 8.398 20.802 ( -1.208 -4.726 -2.676) 5.564 21.168 ( -0.808 1.008 2.486) 2.802 21.288 ( 0.513 -11.095 3.726) 11.715 ======================= Grid point 120 (67/72) ======================= q-point: ( 0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 1.283 6.716 1.029) 6.914 1.468 ( 1.116 -0.977 -0.089) 1.486 1.579 ( -0.861 3.073 -1.025) 3.352 1.594 ( -1.541 2.163 -0.579) 2.719 1.661 ( -0.528 2.878 0.746) 3.020 1.697 ( -1.204 -1.941 3.021) 3.788 1.881 ( -6.746 3.882 -0.291) 7.789 1.906 ( -0.390 -0.993 1.502) 1.843 1.974 ( -1.944 -4.946 1.749) 5.595 1.999 ( -0.368 -6.302 1.012) 6.394 2.104 ( -3.035 1.519 2.391) 4.151 2.138 ( -2.938 -1.286 1.372) 3.488 2.319 ( -0.488 1.590 1.453) 2.208 2.347 ( -1.850 -0.129 3.240) 3.733 2.412 ( 2.114 -5.067 0.981) 5.578 2.428 ( -0.183 -4.898 0.404) 4.918 2.623 ( 8.366 4.018 -1.269) 9.368 2.692 ( 7.252 -2.014 -3.607) 8.346 2.996 ( 1.682 5.616 -1.618) 6.082 3.018 ( 4.321 4.350 2.160) 6.501 3.373 ( -2.221 -3.741 0.863) 4.435 3.414 ( -4.786 -7.167 -0.496) 8.633 3.963 ( -1.235 6.441 -8.823) 10.993 4.026 ( 4.946 4.762 1.793) 7.096 4.146 ( -7.782 8.908 -12.541) 17.239 4.229 ( 2.241 7.909 2.745) 8.667 4.368 ( 3.488 1.619 5.748) 6.916 4.401 ( 1.120 -3.523 -5.904) 6.965 4.552 ( -3.164 -0.973 -8.631) 9.244 4.636 ( 0.445 4.894 1.021) 5.019 4.715 ( 7.016 -9.464 6.451) 13.432 4.733 ( 4.668 -3.528 4.930) 7.651 5.152 ( 4.924 3.907 -2.901) 6.923 5.229 ( 6.080 -1.855 -3.325) 7.174 5.305 ( -1.458 -0.386 4.437) 4.686 5.401 ( -3.317 -7.404 2.373) 8.453 5.799 ( 0.462 7.520 2.340) 7.889 5.955 ( -1.369 -7.385 2.764) 8.003 6.193 ( -2.670 5.377 -2.165) 6.382 6.240 ( -3.296 1.340 -3.262) 4.827 6.417 ( -0.325 1.381 2.545) 2.914 6.482 ( 0.563 -5.042 4.192) 6.582 6.745 ( -5.327 3.488 1.190) 6.478 6.819 ( -3.233 0.833 -2.983) 4.477 6.879 ( -0.630 3.183 -0.326) 3.261 6.925 ( 0.022 -3.050 3.930) 4.975 6.998 ( 2.457 0.408 -0.432) 2.528 7.072 ( 3.547 -4.351 0.009) 5.614 7.271 ( 1.982 0.674 0.205) 2.103 7.274 ( 4.443 0.698 2.719) 5.255 7.448 ( 0.082 3.179 -0.580) 3.232 7.481 ( -0.919 0.903 -0.813) 1.523 7.716 ( -0.402 4.086 -1.986) 4.561 7.727 ( -4.540 2.007 -2.591) 5.599 7.978 ( 1.984 1.495 -0.135) 2.488 8.028 ( -0.847 -2.651 0.149) 2.787 8.777 ( 0.389 8.065 -1.489) 8.210 8.953 ( 1.753 -6.301 1.758) 6.772 9.092 ( 0.094 -2.828 0.202) 2.837 9.144 ( 0.236 -5.564 0.512) 5.592 9.523 ( 0.501 1.674 1.589) 2.362 9.566 ( -0.367 -0.852 0.814) 1.234 9.646 ( 0.011 -4.133 1.061) 4.267 9.674 ( 2.944 -5.756 3.943) 7.573 9.951 ( 0.273 -0.302 -0.227) 0.466 9.974 ( 0.088 -2.583 -0.245) 2.596 10.432 ( -5.326 5.722 -5.605) 9.619 10.500 ( 2.027 2.892 3.799) 5.187 10.623 ( -3.483 -2.362 -2.912) 5.118 10.707 ( 4.259 -6.661 6.632) 10.320 10.936 ( -0.908 9.538 -1.515) 9.700 11.038 ( -0.033 1.148 -1.604) 1.973 11.399 ( -2.208 4.685 -0.980) 5.271 11.528 ( 0.355 -7.124 1.159) 7.227 11.954 ( -1.784 26.946 -2.380) 27.110 12.071 ( -21.132 10.377 -25.700) 34.853 12.157 ( -3.200 29.304 -2.217) 29.562 12.402 ( 15.198 3.412 21.428) 26.491 13.021 ( -5.687 -0.685 -6.170) 8.419 13.097 ( 2.533 -2.245 -0.622) 3.441 13.262 ( -3.056 3.592 -5.386) 7.158 13.343 ( 1.279 -0.579 1.931) 2.388 13.544 ( 1.002 -9.697 -1.378) 9.846 13.613 ( 3.832 -11.944 2.854) 12.864 14.240 ( -7.230 -4.494 9.200) 12.534 14.349 ( -7.242 -14.338 7.216) 17.610 14.816 ( 3.993 6.013 1.926) 7.471 14.832 ( -0.528 -0.315 -7.428) 7.453 14.893 ( 0.983 -11.951 -4.711) 12.883 14.965 ( 7.442 -3.338 6.095) 10.182 15.617 ( -2.805 -17.807 -4.212) 18.513 15.690 ( 5.668 -21.444 7.675) 23.471 16.660 ( -4.782 6.267 -10.328) 12.993 16.674 ( 2.428 5.468 0.858) 6.044 16.917 ( -4.159 10.544 -5.575) 12.631 17.071 ( -1.169 -4.644 -1.764) 5.104 18.545 ( -4.043 9.216 -3.392) 10.620 18.732 ( 2.650 -7.702 4.228) 9.178 18.941 ( -1.326 3.261 -2.523) 4.331 18.984 ( 4.470 -1.244 5.029) 6.842 19.782 ( -3.018 11.393 -3.922) 12.421 19.882 ( -0.114 1.211 -3.063) 3.295 20.351 ( -2.119 4.884 3.454) 6.346 20.446 ( -4.818 -4.475 5.437) 8.532 20.632 ( -2.909 5.357 -1.924) 6.392 20.725 ( -5.565 -3.872 -1.200) 6.885 21.219 ( 7.467 10.401 2.617) 13.069 21.505 ( 14.261 -17.368 3.630) 22.764 ======================= Grid point 121 (68/72) ======================= q-point: ( 0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -5.798 6.178 1.390) 8.586 1.472 ( -0.948 -2.753 -0.251) 2.923 1.523 ( -3.860 -0.213 2.656) 4.690 1.544 ( -5.100 -4.420 -0.565) 6.773 1.596 ( -4.241 8.696 0.831) 9.711 1.693 ( 0.753 -1.592 3.554) 3.966 1.804 ( 0.917 3.646 -0.260) 3.769 1.895 ( -1.018 -4.777 0.592) 4.920 1.976 ( 4.984 0.681 7.122) 8.719 2.037 ( -0.350 1.667 3.853) 4.213 2.093 ( 0.865 -1.670 1.877) 2.657 2.114 ( 3.542 -6.452 1.863) 7.592 2.267 ( -4.429 0.425 2.831) 5.274 2.315 ( -1.163 -1.884 0.444) 2.258 2.443 ( 2.774 -0.453 3.194) 4.255 2.503 ( 4.871 -6.810 6.872) 10.832 2.783 ( 6.162 5.711 -1.532) 8.540 2.849 ( 7.748 -0.475 -1.995) 8.015 3.002 ( 0.539 6.321 -2.378) 6.775 3.126 ( 3.962 -0.539 -0.289) 4.009 3.299 ( -4.039 -3.727 -2.661) 6.106 3.369 ( 0.307 -5.688 4.172) 7.061 3.851 ( -9.878 8.538 -20.047) 23.924 3.934 ( -10.976 4.649 -19.170) 22.574 4.128 ( 3.271 6.310 -0.242) 7.112 4.177 ( -3.355 6.115 -2.437) 7.389 4.392 ( -0.251 -5.087 -0.958) 5.182 4.435 ( 1.858 -10.758 -3.465) 11.454 4.559 ( 2.857 26.544 3.111) 26.878 4.708 ( 3.970 0.983 2.339) 4.712 4.823 ( 5.345 -6.365 3.101) 8.871 4.938 ( 12.031 -6.226 11.623) 17.849 5.186 ( -3.253 2.511 -1.347) 4.324 5.271 ( -1.797 -2.978 -2.723) 4.417 5.371 ( 9.419 -1.707 5.332) 10.957 5.455 ( 8.488 -7.411 3.676) 11.853 5.791 ( -1.457 4.439 -1.521) 4.913 5.889 ( -4.734 -4.284 0.482) 6.403 6.115 ( -4.147 3.899 -4.448) 7.224 6.207 ( -1.459 -2.601 0.374) 3.006 6.413 ( -0.541 1.294 3.775) 4.027 6.467 ( -1.560 -3.308 4.545) 5.834 6.657 ( -2.496 2.572 3.351) 4.906 6.753 ( -1.188 -2.492 1.164) 2.996 6.872 ( -0.346 3.245 -1.190) 3.473 6.963 ( 2.487 -3.241 3.735) 5.536 7.052 ( 2.349 1.754 -0.494) 2.973 7.110 ( -0.590 -2.345 -4.408) 5.028 7.305 ( 0.943 3.450 1.996) 4.096 7.347 ( 2.018 0.313 2.096) 2.926 7.442 ( -1.734 2.092 -3.088) 4.113 7.449 ( -0.803 1.110 0.842) 1.608 7.618 ( -4.401 4.192 -2.330) 6.509 7.690 ( -2.303 -0.965 -2.845) 3.785 8.011 ( 1.642 2.156 -0.071) 2.711 8.045 ( 2.266 -0.484 -1.176) 2.599 8.797 ( 1.848 8.281 -0.457) 8.497 9.005 ( 1.642 -10.343 0.145) 10.473 9.117 ( 3.426 1.115 4.853) 6.044 9.171 ( 2.998 -3.785 4.932) 6.903 9.515 ( -1.432 2.091 -0.347) 2.558 9.608 ( 2.899 -2.529 4.098) 5.621 9.653 ( 1.004 -0.425 3.820) 3.972 9.749 ( 3.890 -6.177 6.967) 10.091 9.954 ( 0.151 -1.229 0.003) 1.238 9.978 ( 0.292 -3.209 -0.192) 3.228 10.335 ( -3.719 5.665 -4.065) 7.902 10.465 ( -3.163 -6.441 -2.924) 7.748 10.633 ( 2.384 7.144 5.810) 9.512 10.783 ( 2.684 -6.838 6.592) 9.870 10.909 ( -1.453 9.430 -2.736) 9.926 11.014 ( -2.692 1.809 -5.730) 6.584 11.347 ( -2.455 8.695 -1.012) 9.092 11.533 ( -2.922 -3.102 -6.193) 7.517 11.583 ( -19.986 10.453 -20.914) 30.758 11.808 ( -11.812 2.965 -16.542) 20.542 12.147 ( 0.940 39.159 4.394) 39.416 12.706 ( 13.342 -4.354 19.022) 23.639 12.777 ( -13.264 13.106 -14.931) 23.888 13.129 ( 0.415 -6.927 -2.725) 7.456 13.298 ( 5.349 1.784 0.677) 5.679 13.380 ( 2.774 -4.992 0.215) 5.715 13.561 ( 0.206 2.117 -2.977) 3.658 13.670 ( 0.202 -6.897 1.787) 7.127 14.165 ( -0.852 -9.631 7.228) 12.072 14.245 ( -3.743 -15.479 7.731) 17.702 14.789 ( -3.811 -0.255 -1.216) 4.009 14.803 ( -2.840 -7.028 -5.677) 9.471 15.045 ( 12.222 -3.384 18.570) 22.487 15.151 ( 10.397 -6.805 14.668) 19.224 15.606 ( 2.047 -7.894 2.424) 8.507 15.840 ( 8.251 -22.822 11.742) 26.959 16.484 ( -11.329 11.675 -18.692) 24.780 16.642 ( -5.440 -1.571 -11.847) 13.130 16.740 ( -11.731 12.242 -16.250) 23.486 16.988 ( -6.942 -10.173 -9.713) 15.685 18.503 ( 0.169 17.093 1.913) 17.200 18.811 ( 4.746 -11.600 9.159) 15.523 18.960 ( 3.245 9.181 3.125) 10.227 19.103 ( 6.704 -5.117 6.992) 10.955 19.657 ( -8.577 12.684 -5.603) 16.305 19.786 ( -8.122 -0.260 -1.574) 8.278 20.334 ( 0.506 5.697 1.570) 5.931 20.450 ( 2.572 -5.473 0.270) 6.053 20.573 ( -2.514 2.694 -1.722) 4.067 20.619 ( -4.088 -1.964 -1.895) 4.915 21.396 ( 8.570 14.926 1.789) 17.304 21.771 ( 11.162 -21.417 4.064) 24.491 ======================= Grid point 122 (69/72) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -5.469 5.403 1.024) 7.756 1.360 ( -6.261 -5.131 1.813) 8.296 1.481 ( -0.573 0.015 2.553) 2.616 1.485 ( -0.194 -0.135 2.204) 2.217 1.574 ( -0.169 4.476 0.106) 4.481 1.708 ( 0.380 -5.067 1.822) 5.398 1.845 ( 1.837 2.776 -0.244) 3.338 1.908 ( 1.317 -3.626 1.051) 3.998 2.045 ( 1.477 3.615 1.545) 4.200 2.079 ( 1.913 0.967 6.060) 6.428 2.112 ( 2.488 0.536 3.151) 4.050 2.187 ( -2.143 -3.102 4.653) 5.989 2.215 ( 3.728 -1.498 -0.770) 4.091 2.292 ( -0.518 -4.338 -2.498) 5.032 2.518 ( 4.440 4.813 8.856) 11.014 2.624 ( 7.095 -7.799 12.816) 16.595 2.839 ( -0.130 6.593 -3.590) 7.508 2.964 ( 2.845 -2.720 -0.999) 4.061 3.033 ( 1.584 2.840 -0.516) 3.292 3.137 ( -2.075 -6.477 -5.877) 8.989 3.267 ( 0.193 4.491 0.254) 4.502 3.386 ( 0.535 -4.935 2.946) 5.772 3.591 ( -12.663 9.217 -22.122) 27.105 3.718 ( -8.899 0.596 -15.840) 18.178 4.139 ( -0.040 8.179 -2.653) 8.598 4.191 ( 2.063 7.245 0.330) 7.540 4.377 ( -1.429 -9.616 -3.325) 10.275 4.461 ( 0.805 -13.172 0.141) 13.198 4.609 ( 1.705 32.473 2.754) 32.634 4.768 ( 2.271 6.693 0.340) 7.076 4.911 ( 2.045 -4.518 0.722) 5.012 5.113 ( -0.075 -10.473 2.199) 10.702 5.155 ( 5.000 0.229 5.992) 7.808 5.237 ( 0.185 -5.645 0.842) 5.711 5.538 ( 2.986 2.306 4.191) 5.639 5.631 ( 6.977 -6.668 8.383) 12.783 5.788 ( 2.479 2.072 -5.435) 6.323 5.836 ( 1.053 -1.269 -0.828) 1.846 6.007 ( -6.270 -0.966 -7.632) 9.924 6.089 ( -8.647 -7.487 -2.422) 11.691 6.431 ( 2.077 5.910 5.057) 8.051 6.505 ( 5.225 -0.740 7.654) 9.296 6.635 ( -0.459 3.145 4.721) 5.691 6.781 ( 2.698 -4.082 4.368) 6.559 6.851 ( -1.613 3.399 -3.471) 5.119 6.998 ( -0.470 -6.456 -0.477) 6.490 7.058 ( -1.996 2.727 -2.936) 4.477 7.078 ( -0.104 0.349 0.106) 0.380 7.287 ( -1.737 3.938 -0.673) 4.357 7.341 ( -2.662 -1.350 -3.365) 4.498 7.410 ( -0.046 3.739 -0.246) 3.748 7.456 ( 0.128 -0.928 2.053) 2.256 7.571 ( -0.101 3.463 1.010) 3.609 7.653 ( -0.773 -4.070 -1.460) 4.392 8.040 ( 0.528 5.912 -1.596) 6.147 8.093 ( 2.056 0.459 -1.080) 2.367 8.836 ( 1.461 5.589 -0.509) 5.800 9.010 ( -0.443 -10.399 -2.035) 10.605 9.219 ( 5.221 5.543 6.829) 10.229 9.277 ( 6.838 -0.478 10.033) 12.151 9.474 ( -2.390 1.770 -2.070) 3.624 9.594 ( -3.230 -8.760 -2.633) 9.701 9.739 ( 6.125 4.471 9.460) 12.124 9.832 ( 4.346 -3.480 7.475) 9.321 9.953 ( -0.712 -2.164 0.305) 2.299 9.981 ( -0.263 -5.146 -0.165) 5.156 10.297 ( 0.545 6.837 -0.334) 6.867 10.436 ( 0.527 -5.949 0.257) 5.977 10.661 ( -1.233 9.154 2.090) 9.470 10.773 ( -7.317 6.719 -9.265) 13.584 10.867 ( -1.017 2.554 0.617) 2.818 10.947 ( -0.190 4.391 -3.865) 5.853 11.221 ( -8.883 0.918 -12.395) 15.277 11.315 ( -1.472 14.262 -0.206) 14.339 11.478 ( -11.462 -16.874 -17.584) 26.932 11.590 ( -2.477 -11.013 -3.280) 11.755 12.175 ( 1.539 46.558 2.818) 46.669 12.570 ( -6.394 31.579 -7.557) 33.094 12.942 ( 8.748 -18.512 12.660) 24.073 13.125 ( 0.000 -13.758 -1.471) 13.837 13.412 ( 5.019 1.752 1.161) 5.441 13.445 ( 2.362 -0.761 0.949) 2.657 13.531 ( -3.028 5.590 -5.714) 8.548 13.634 ( -2.542 -2.645 -1.450) 3.944 14.172 ( 0.425 -13.580 1.128) 13.634 14.222 ( 1.877 -13.559 3.801) 14.206 14.709 ( -3.328 1.089 4.660) 5.829 14.735 ( -3.329 -6.985 -0.126) 7.739 15.332 ( 14.002 -8.483 23.387) 28.548 15.396 ( 13.361 -12.109 20.397) 27.225 15.700 ( 6.679 3.918 9.531) 12.281 16.000 ( 5.581 -18.711 7.961) 21.086 16.236 ( -10.888 12.229 -18.609) 24.787 16.465 ( -11.852 14.937 -17.301) 25.747 16.473 ( -12.032 -8.103 -20.627) 25.217 16.810 ( -9.406 -15.606 -13.007) 22.388 18.536 ( 2.344 21.751 3.225) 22.113 18.915 ( 4.693 -14.005 8.000) 16.798 19.071 ( 7.480 13.209 7.587) 16.971 19.244 ( 6.555 -3.042 5.827) 9.284 19.465 ( -9.486 12.320 -6.828) 16.982 19.613 ( -7.926 -2.449 -2.186) 8.579 20.349 ( 0.366 6.109 0.995) 6.201 20.458 ( -1.719 -3.658 4.514) 6.059 20.545 ( -0.074 1.573 -3.452) 3.794 20.592 ( 1.178 -3.651 -6.747) 7.761 21.527 ( 3.881 16.261 0.310) 16.720 21.934 ( 4.544 -23.051 3.239) 23.716 ======================= Grid point 123 (70/72) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 5.035 3.982 1.309) 6.552 1.330 ( 3.050 -5.018 4.273) 7.263 1.485 ( 0.872 0.748 1.151) 1.626 1.502 ( 1.774 -0.738 1.401) 2.378 1.571 ( 0.046 5.679 0.196) 5.682 1.712 ( 0.180 -5.154 1.168) 5.288 1.858 ( -0.627 2.647 -1.226) 2.984 1.922 ( -0.223 -3.328 -0.207) 3.341 2.058 ( -1.519 3.237 0.648) 3.634 2.087 ( 1.131 1.398 2.146) 2.800 2.129 ( -0.049 0.198 3.054) 3.060 2.184 ( -0.119 -3.254 4.550) 5.595 2.277 ( 2.461 -1.083 -2.558) 3.711 2.298 ( 0.553 -3.395 -5.111) 6.160 2.639 ( 6.041 12.578 7.527) 15.854 2.770 ( 3.706 -4.827 5.725) 8.356 2.789 ( -2.127 -1.013 -1.990) 3.084 2.952 ( -3.887 -9.032 -2.942) 10.263 3.018 ( -3.660 1.515 0.889) 4.059 3.063 ( -4.986 -2.898 -4.916) 7.578 3.276 ( 1.864 9.977 3.542) 10.750 3.364 ( -1.587 4.665 -4.755) 6.848 3.449 ( -0.363 -1.491 -2.107) 2.606 3.586 ( -3.693 -3.592 -8.064) 9.569 4.140 ( -0.030 8.111 -3.097) 8.683 4.216 ( -0.070 9.575 -1.147) 9.644 4.343 ( -1.117 -12.431 -1.257) 12.545 4.466 ( -0.538 -12.226 0.683) 12.257 4.626 ( -0.102 31.062 1.156) 31.084 4.773 ( -1.893 7.034 -0.174) 7.286 4.927 ( 0.376 -1.641 -0.678) 1.814 5.123 ( 0.274 -7.838 0.282) 7.848 5.192 ( 1.407 -0.924 0.340) 1.717 5.270 ( -0.971 -10.830 0.362) 10.879 5.568 ( 1.110 5.073 2.611) 5.813 5.641 ( -3.857 1.961 8.765) 9.775 5.761 ( -9.115 -7.482 -3.607) 12.332 5.790 ( -5.049 -6.259 2.333) 8.373 5.983 ( 7.643 2.960 -6.168) 10.257 6.090 ( 7.249 -7.388 -2.770) 10.715 6.461 ( 0.233 9.744 2.362) 10.029 6.600 ( -2.938 -0.772 0.298) 3.052 6.642 ( 6.129 2.815 5.207) 8.521 6.804 ( -1.306 -0.214 0.680) 1.488 6.837 ( 0.499 -1.390 -1.060) 1.818 6.950 ( -0.841 -2.180 -0.632) 2.421 7.060 ( 0.239 -1.127 0.367) 1.209 7.081 ( 0.831 -2.024 0.413) 2.227 7.272 ( 0.326 2.447 0.696) 2.565 7.297 ( -0.376 -0.268 -1.172) 1.260 7.414 ( 0.148 3.668 0.125) 3.673 7.449 ( -0.264 0.363 1.905) 1.958 7.609 ( 3.018 0.810 -0.194) 3.130 7.643 ( -0.730 -2.631 -2.153) 3.477 8.027 ( -1.398 7.294 -0.549) 7.447 8.094 ( -2.149 -0.251 -1.154) 2.452 8.840 ( -1.133 4.191 -1.095) 4.477 8.996 ( -0.828 -10.119 -0.901) 10.192 9.290 ( 0.760 10.798 1.334) 10.906 9.405 ( 2.557 2.259 3.728) 5.053 9.440 ( -0.053 -0.935 -0.022) 0.937 9.524 ( -1.139 -10.797 -0.657) 10.877 9.858 ( 2.644 3.157 2.647) 4.895 9.907 ( 0.700 -0.460 1.734) 1.926 9.932 ( 0.490 -2.495 1.608) 3.008 9.970 ( 0.628 -6.968 0.289) 7.002 10.362 ( 2.958 5.866 2.984) 7.215 10.436 ( -1.766 7.853 -4.382) 9.164 10.525 ( -2.542 14.751 -3.962) 15.484 10.707 ( 0.545 5.861 -0.148) 5.888 10.894 ( 1.852 -3.856 2.777) 5.100 11.000 ( 2.543 6.722 0.393) 7.198 11.120 ( -0.754 -12.102 -2.140) 12.313 11.254 ( -2.860 -20.393 -7.045) 21.764 11.329 ( -0.384 10.576 -3.056) 11.015 11.583 ( 0.027 -10.938 0.620) 10.956 12.207 ( 1.547 48.200 -0.186) 48.225 12.501 ( -0.674 38.148 -0.422) 38.157 13.040 ( 1.225 -23.273 2.510) 23.440 13.135 ( -0.397 -20.164 0.024) 20.167 13.394 ( -5.738 5.216 0.330) 7.761 13.441 ( -3.278 -0.122 -0.499) 3.318 13.520 ( 2.275 5.412 -2.862) 6.531 13.624 ( 1.841 -1.982 -0.415) 2.737 14.209 ( 3.763 -10.322 -2.731) 11.321 14.291 ( 4.472 -14.623 -3.043) 15.592 14.670 ( -0.957 -3.897 6.125) 7.322 14.697 ( -0.157 -0.968 6.274) 6.350 15.563 ( 5.963 -11.752 10.187) 16.657 15.656 ( 7.304 -15.001 13.521) 21.476 15.828 ( 4.333 6.377 6.037) 9.792 15.939 ( -7.615 4.063 -13.014) 15.616 16.155 ( 2.191 1.803 2.787) 3.977 16.197 ( -10.185 7.654 -13.846) 18.816 16.336 ( -1.985 -5.758 -3.403) 6.977 16.659 ( -2.902 -19.527 -3.610) 20.069 18.576 ( 1.218 23.247 -0.032) 23.279 18.985 ( 1.780 -16.148 2.060) 16.376 19.230 ( -1.368 16.497 -2.837) 16.795 19.262 ( 1.960 9.590 2.708) 10.155 19.356 ( -1.517 5.077 0.596) 5.332 19.541 ( 3.462 -8.656 3.647) 10.011 20.351 ( 0.243 4.658 0.820) 4.735 20.425 ( -1.235 -2.275 4.713) 5.377 20.569 ( 2.347 1.594 -4.161) 5.037 20.613 ( 0.795 -2.594 -7.025) 7.530 21.539 ( -2.692 15.660 -0.816) 15.911 21.947 ( -3.370 -23.719 2.035) 24.044 ======================= Grid point 124 (71/72) ======================= q-point: (-0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 5.215 3.142 2.292) 6.506 1.423 ( 4.478 -3.856 3.440) 6.838 1.518 ( 1.865 1.775 1.083) 2.793 1.557 ( 3.480 -1.452 -0.025) 3.771 1.598 ( 3.517 9.524 0.177) 10.154 1.732 ( 2.423 -3.462 0.216) 4.231 1.822 ( -2.287 3.400 -1.824) 4.485 1.904 ( -0.674 -3.442 -0.623) 3.563 2.055 ( 0.464 1.922 1.090) 2.258 2.075 ( -0.828 -1.366 0.458) 1.662 2.145 ( -1.172 1.620 0.444) 2.049 2.155 ( -0.307 0.907 -1.457) 1.743 2.310 ( 1.687 -0.955 -2.930) 3.513 2.331 ( 3.019 -2.666 -1.893) 4.450 2.582 ( -8.004 4.839 -10.066) 13.740 2.722 ( -9.158 -9.491 -13.171) 18.639 2.801 ( -4.305 0.459 -1.503) 4.582 2.825 ( -8.580 -0.710 -0.876) 8.654 2.918 ( -0.838 3.991 6.676) 7.823 3.035 ( 2.913 -6.823 8.041) 10.941 3.340 ( -0.955 7.179 -5.655) 9.188 3.418 ( 10.999 9.378 16.680) 22.071 3.487 ( 1.318 -6.626 -3.796) 7.749 3.580 ( 5.136 -0.664 10.658) 11.849 4.140 ( 0.135 5.501 -2.419) 6.011 4.188 ( -1.560 9.325 -2.547) 9.791 4.337 ( -0.198 -10.738 1.975) 10.920 4.439 ( -1.699 -10.149 -1.154) 10.355 4.610 ( -1.331 26.620 -0.442) 26.657 4.735 ( -1.742 4.560 -0.247) 4.888 4.895 ( -3.607 -3.408 -3.679) 6.177 5.108 ( -4.820 -10.915 -2.109) 12.117 5.155 ( -6.080 0.821 -1.600) 6.340 5.218 ( -0.907 -2.013 1.794) 2.845 5.450 ( -7.488 2.328 -1.327) 7.953 5.556 ( -7.015 -7.920 -4.749) 11.597 5.718 ( 7.012 2.388 4.760) 8.805 5.807 ( 4.271 -5.409 6.309) 9.343 6.116 ( 4.610 4.490 -3.851) 7.500 6.210 ( 2.778 -3.984 0.189) 4.860 6.455 ( 0.163 7.126 0.497) 7.145 6.540 ( -0.755 0.088 -2.423) 2.540 6.715 ( -0.334 -1.542 -2.265) 2.761 6.785 ( 0.233 -6.733 2.953) 7.355 6.830 ( 0.153 7.851 -1.435) 7.982 6.992 ( 3.166 -2.819 5.069) 6.608 7.050 ( -1.820 -1.528 -2.796) 3.670 7.072 ( -1.815 -1.157 -0.895) 2.331 7.288 ( 0.482 2.900 1.893) 3.497 7.324 ( 1.613 -0.104 2.245) 2.766 7.419 ( 0.939 3.466 0.576) 3.637 7.463 ( 1.196 -0.716 2.239) 2.638 7.615 ( -0.784 2.087 -3.850) 4.449 7.665 ( 1.650 -1.036 -0.917) 2.153 8.007 ( 0.023 2.783 0.493) 2.826 8.033 ( -2.795 0.603 -0.337) 2.879 8.799 ( -2.425 6.248 -0.744) 6.744 8.981 ( -0.530 -10.542 0.797) 10.585 9.242 ( -4.436 6.649 -5.606) 9.763 9.329 ( -6.225 -1.216 -8.497) 10.603 9.478 ( 2.756 2.033 3.097) 4.617 9.589 ( 3.778 -8.443 4.977) 10.503 9.808 ( -4.786 4.424 -7.869) 10.217 9.873 ( -3.001 -1.664 -3.798) 5.118 9.956 ( 0.120 -2.052 1.042) 2.304 9.990 ( -0.614 -6.130 -1.222) 6.281 10.307 ( -1.036 7.905 -3.083) 8.548 10.449 ( -0.271 -5.264 -1.808) 5.573 10.692 ( 13.238 18.369 15.617) 27.505 10.733 ( 1.003 6.719 -0.547) 6.816 10.911 ( 0.263 1.811 -0.692) 1.956 10.968 ( -2.169 -0.369 -8.020) 8.316 11.191 ( 6.291 -3.446 6.256) 9.517 11.334 ( 3.056 8.482 3.336) 9.613 11.417 ( 13.919 -17.076 12.849) 25.504 11.586 ( 0.687 -9.635 0.837) 9.696 12.233 ( 0.933 44.056 -3.482) 44.203 12.544 ( 5.216 35.412 7.148) 36.501 13.005 ( -6.160 -20.896 -8.281) 23.306 13.087 ( -1.983 -9.950 -0.241) 10.148 13.291 ( -4.418 -1.939 1.438) 5.035 13.359 ( -3.590 -5.512 0.454) 6.593 13.547 ( 0.336 8.014 -1.007) 8.084 13.674 ( 2.355 -2.509 1.004) 3.585 14.315 ( 6.648 -7.386 -7.298) 12.329 14.401 ( 6.741 -12.981 -7.175) 16.293 14.671 ( 0.490 -4.865 7.522) 8.971 14.717 ( 1.224 -1.591 5.969) 6.297 15.469 ( -11.856 -11.700 -15.278) 22.602 15.506 ( -17.749 -11.835 -21.592) 30.353 15.764 ( -8.234 7.305 -11.834) 16.162 16.004 ( 6.722 -4.037 9.875) 12.609 16.125 ( 0.894 0.308 3.868) 3.982 16.310 ( 8.991 -10.697 15.701) 21.018 16.372 ( 10.592 15.277 15.340) 24.102 16.736 ( 8.388 -17.365 12.438) 22.948 18.583 ( -0.263 22.266 -4.151) 22.651 18.980 ( -2.329 -16.009 -5.346) 17.038 19.085 ( -6.711 13.089 -8.789) 17.135 19.227 ( -5.623 -0.607 -5.574) 7.941 19.482 ( 9.546 14.304 10.971) 20.399 19.674 ( 6.697 -4.698 8.323) 11.670 20.375 ( 2.291 3.856 -1.651) 4.779 20.431 ( 2.275 -1.356 1.493) 3.040 20.612 ( 0.858 1.385 -3.573) 3.927 20.639 ( 3.513 -1.022 -4.573) 5.857 21.425 ( -8.288 13.203 -0.896) 15.615 21.800 ( -11.264 -23.078 1.667) 25.734 ======================= Grid point 125 (72/72) ======================= q-point: (-0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.948 6.171 2.512) 6.730 1.462 ( -0.621 -2.011 0.435) 2.150 1.557 ( 1.660 3.690 0.678) 4.102 1.609 ( 0.930 2.540 -1.767) 3.231 1.660 ( 1.449 5.807 0.218) 5.989 1.752 ( -1.553 -1.654 -1.671) 2.818 1.864 ( 6.360 3.456 1.641) 7.422 1.940 ( 3.337 0.092 0.335) 3.355 2.000 ( -2.210 -1.560 -3.989) 4.819 2.078 ( -1.728 -4.251 -1.989) 5.002 2.164 ( 3.622 2.149 -1.989) 4.657 2.178 ( 2.006 0.480 -1.062) 2.320 2.356 ( 2.447 1.511 -1.384) 3.192 2.396 ( 2.140 -1.908 0.675) 2.945 2.434 ( -4.658 -2.681 -6.316) 8.293 2.500 ( -10.578 -9.393 -8.716) 16.617 2.621 ( -8.764 0.771 0.060) 8.798 2.628 ( -9.029 -0.391 -0.098) 9.038 2.958 ( 0.428 4.744 3.223) 5.751 3.058 ( -1.599 -2.224 0.688) 2.825 3.356 ( 2.767 2.496 -0.646) 3.782 3.484 ( 0.054 -6.031 -5.004) 7.837 3.668 ( 11.403 7.222 17.543) 22.135 3.768 ( 10.710 2.979 18.011) 21.166 4.112 ( -2.133 6.659 -3.353) 7.755 4.223 ( 4.784 5.947 1.474) 7.774 4.322 ( -0.984 -8.391 2.146) 8.717 4.424 ( 0.866 -9.248 -0.997) 9.342 4.554 ( -5.359 21.699 -4.053) 22.715 4.668 ( -4.938 1.143 -3.083) 5.932 4.810 ( -3.850 -6.122 -4.409) 8.470 4.919 ( -8.850 -9.152 -7.825) 14.944 5.090 ( -1.945 4.134 2.188) 5.066 5.173 ( -3.341 -1.421 1.074) 3.786 5.363 ( -1.591 0.775 -0.560) 1.856 5.476 ( -1.548 -8.162 -3.896) 9.176 5.821 ( 1.452 6.124 0.040) 6.294 5.928 ( 6.402 -3.244 5.900) 9.291 6.148 ( -1.082 3.552 -1.783) 4.119 6.225 ( 1.905 -1.482 0.144) 2.418 6.470 ( 0.046 5.038 -1.028) 5.142 6.565 ( 0.356 -3.409 -2.906) 4.493 6.720 ( 2.936 0.307 2.395) 3.801 6.779 ( 0.942 -2.563 0.568) 2.789 6.868 ( 1.935 8.639 1.889) 9.052 6.974 ( -3.159 1.515 0.685) 3.570 7.008 ( -3.396 -1.468 -1.475) 3.983 7.062 ( 1.266 -7.853 -0.976) 8.014 7.264 ( -3.026 1.630 1.162) 3.628 7.305 ( -3.028 -1.908 -0.366) 3.598 7.456 ( 0.216 2.756 -1.161) 2.999 7.467 ( 0.779 1.456 0.491) 1.723 7.650 ( 3.540 3.990 2.124) 5.741 7.693 ( 2.325 0.668 1.335) 2.763 7.985 ( -1.623 2.264 -0.903) 2.929 8.038 ( 1.658 -3.063 -0.414) 3.507 8.761 ( -0.974 9.173 0.116) 9.225 8.977 ( -0.014 -10.790 1.060) 10.842 9.146 ( -4.235 2.675 -5.878) 7.723 9.212 ( -4.633 -3.237 -6.739) 8.795 9.529 ( 2.077 2.107 2.146) 3.655 9.630 ( -0.063 -6.215 -0.483) 6.234 9.692 ( -5.420 3.841 -6.735) 9.460 9.787 ( -5.660 -4.317 -6.433) 9.594 9.946 ( -0.558 -1.878 0.002) 1.959 9.969 ( -0.377 -4.391 -0.226) 4.413 10.338 ( 3.304 6.147 2.765) 7.506 10.477 ( 2.966 -6.842 2.169) 7.766 10.694 ( -3.807 7.771 -6.223) 10.659 10.819 ( -1.344 -0.339 -0.563) 1.496 10.930 ( -0.504 3.114 -3.562) 4.759 10.976 ( 4.041 2.782 4.080) 6.380 11.376 ( 3.406 6.794 2.293) 7.938 11.456 ( 12.457 6.777 14.996) 20.639 11.605 ( 7.386 -0.774 7.486) 10.545 11.747 ( 13.080 -1.822 14.731) 19.784 12.236 ( -0.537 36.059 -5.932) 36.547 12.730 ( 12.311 22.268 16.077) 30.098 12.814 ( -11.144 -11.704 -16.284) 22.942 13.060 ( -1.209 -2.279 1.697) 3.088 13.209 ( -3.376 -2.912 -0.616) 4.501 13.334 ( 1.127 -7.971 1.681) 8.224 13.543 ( -0.457 3.466 -0.584) 3.544 13.694 ( -0.802 -7.126 -0.813) 7.217 14.465 ( 7.967 -5.142 -9.816) 13.648 14.520 ( 3.196 -6.375 -6.399) 9.582 14.667 ( -0.978 -0.760 5.858) 5.988 14.754 ( 2.961 -9.853 2.525) 10.594 15.095 ( -20.195 -5.542 -21.090) 29.721 15.200 ( -12.975 -10.588 -14.765) 22.326 15.624 ( -4.343 -2.330 -5.955) 7.730 15.907 ( -8.916 -22.459 -12.297) 27.113 16.323 ( 12.252 12.881 20.438) 27.087 16.525 ( 10.081 -3.617 14.861) 18.318 16.643 ( 13.121 11.692 18.660) 25.633 16.924 ( 8.629 -12.607 12.506) 19.743 18.576 ( 0.249 17.446 -5.437) 18.275 18.892 ( -5.959 -12.194 -9.535) 16.587 18.975 ( -3.721 10.290 -6.046) 12.502 19.112 ( -5.540 -3.332 -6.798) 9.381 19.655 ( 7.165 12.247 8.099) 16.337 19.773 ( 3.064 0.464 6.850) 7.518 20.422 ( 1.489 5.813 -1.957) 6.312 20.524 ( 5.936 -3.104 -0.711) 6.737 20.625 ( 1.011 5.094 -2.291) 5.676 20.739 ( 6.050 -5.473 -3.088) 8.723 21.240 ( -8.529 8.550 0.568) 12.090 21.517 ( -15.840 -18.715 2.960) 24.697 =================== 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 3/26460 10.0 80.679 53.245 69.370 0.000 0.129 0.000 3/26460 20.0 12.979 12.954 10.112 0.000 0.848 0.000 3/26460 30.0 5.939 6.620 4.742 0.000 0.548 0.000 3/26460 40.0 3.801 4.544 3.152 0.000 0.466 0.000 3/26460 50.0 2.822 3.558 2.421 0.000 0.428 0.000 3/26460 60.0 2.268 2.979 2.002 0.000 0.403 0.000 3/26460 70.0 1.915 2.599 1.734 0.000 0.387 0.000 3/26460 80.0 1.673 2.335 1.551 0.000 0.378 0.000 3/26460 90.0 1.498 2.147 1.423 0.000 0.375 0.000 3/26460 100.0 1.366 2.008 1.330 0.000 0.376 0.000 3/26460 110.0 1.264 1.904 1.261 0.000 0.380 0.000 3/26460 120.0 1.183 1.823 1.207 0.000 0.384 0.000 3/26460 130.0 1.117 1.757 1.164 0.000 0.387 0.000 3/26460 140.0 1.061 1.703 1.128 0.000 0.390 0.000 3/26460 150.0 1.013 1.657 1.097 0.000 0.391 0.000 3/26460 160.0 0.972 1.615 1.069 0.000 0.391 0.000 3/26460 170.0 0.935 1.578 1.044 0.000 0.390 0.000 3/26460 180.0 0.902 1.543 1.020 0.000 0.388 0.000 3/26460 190.0 0.872 1.509 0.997 0.000 0.385 0.000 3/26460 200.0 0.845 1.477 0.976 0.000 0.381 0.000 3/26460 210.0 0.820 1.447 0.955 0.000 0.377 0.000 3/26460 220.0 0.796 1.417 0.935 0.000 0.372 0.000 3/26460 230.0 0.774 1.388 0.915 0.000 0.366 0.000 3/26460 240.0 0.754 1.359 0.896 0.000 0.360 0.000 3/26460 250.0 0.734 1.332 0.878 0.000 0.355 0.000 3/26460 260.0 0.716 1.305 0.860 0.000 0.348 0.000 3/26460 270.0 0.698 1.279 0.842 0.000 0.342 0.000 3/26460 280.0 0.681 1.253 0.825 0.000 0.336 0.000 3/26460 290.0 0.665 1.228 0.808 0.000 0.330 0.000 3/26460 300.0 0.650 1.204 0.792 0.000 0.324 0.000 3/26460 310.0 0.635 1.180 0.776 0.000 0.317 0.000 3/26460 320.0 0.621 1.157 0.761 0.000 0.311 0.000 3/26460 330.0 0.608 1.134 0.746 0.000 0.306 0.000 3/26460 340.0 0.595 1.112 0.732 0.000 0.300 0.000 3/26460 350.0 0.582 1.091 0.718 0.000 0.294 0.000 3/26460 360.0 0.570 1.071 0.704 0.000 0.288 0.000 3/26460 370.0 0.559 1.050 0.691 0.000 0.283 0.000 3/26460 380.0 0.548 1.031 0.678 0.000 0.278 0.000 3/26460 390.0 0.537 1.012 0.665 0.000 0.273 0.000 3/26460 400.0 0.527 0.994 0.653 0.000 0.268 0.000 3/26460 410.0 0.516 0.976 0.642 0.000 0.263 0.000 3/26460 420.0 0.507 0.958 0.630 0.000 0.258 0.000 3/26460 430.0 0.497 0.942 0.619 0.000 0.253 0.000 3/26460 440.0 0.488 0.925 0.608 0.000 0.249 0.000 3/26460 450.0 0.480 0.909 0.598 0.000 0.245 0.000 3/26460 460.0 0.471 0.894 0.588 0.000 0.240 0.000 3/26460 470.0 0.463 0.879 0.578 0.000 0.236 0.000 3/26460 480.0 0.455 0.864 0.568 0.000 0.232 0.000 3/26460 490.0 0.447 0.850 0.559 0.000 0.228 0.000 3/26460 500.0 0.440 0.836 0.550 0.000 0.225 0.000 3/26460 510.0 0.432 0.823 0.541 0.000 0.221 0.000 3/26460 520.0 0.425 0.810 0.533 0.000 0.217 0.000 3/26460 530.0 0.419 0.797 0.524 0.000 0.214 0.000 3/26460 540.0 0.412 0.785 0.516 0.000 0.211 0.000 3/26460 550.0 0.406 0.773 0.508 0.000 0.207 0.000 3/26460 560.0 0.399 0.762 0.501 0.000 0.204 0.000 3/26460 570.0 0.393 0.750 0.493 0.000 0.201 0.000 3/26460 580.0 0.387 0.739 0.486 0.000 0.198 0.000 3/26460 590.0 0.382 0.729 0.479 0.000 0.195 0.000 3/26460 600.0 0.376 0.718 0.472 0.000 0.192 0.000 3/26460 610.0 0.371 0.708 0.465 0.000 0.189 0.000 3/26460 620.0 0.365 0.698 0.459 0.000 0.187 0.000 3/26460 630.0 0.360 0.688 0.453 0.000 0.184 0.000 3/26460 640.0 0.355 0.679 0.446 0.000 0.182 0.000 3/26460 650.0 0.350 0.670 0.440 0.000 0.179 0.000 3/26460 660.0 0.346 0.661 0.434 0.000 0.177 0.000 3/26460 670.0 0.341 0.652 0.429 0.000 0.174 0.000 3/26460 680.0 0.336 0.643 0.423 0.000 0.172 0.000 3/26460 690.0 0.332 0.635 0.418 0.000 0.170 0.000 3/26460 700.0 0.328 0.627 0.412 0.000 0.167 0.000 3/26460 710.0 0.324 0.619 0.407 0.000 0.165 0.000 3/26460 720.0 0.319 0.611 0.402 0.000 0.163 0.000 3/26460 730.0 0.315 0.604 0.397 0.000 0.161 0.000 3/26460 740.0 0.312 0.596 0.392 0.000 0.159 0.000 3/26460 750.0 0.308 0.589 0.387 0.000 0.157 0.000 3/26460 760.0 0.304 0.582 0.383 0.000 0.155 0.000 3/26460 770.0 0.300 0.575 0.378 0.000 0.153 0.000 3/26460 780.0 0.297 0.569 0.374 0.000 0.152 0.000 3/26460 790.0 0.293 0.562 0.370 0.000 0.150 0.000 3/26460 800.0 0.290 0.556 0.365 0.000 0.148 0.000 3/26460 810.0 0.287 0.549 0.361 0.000 0.146 0.000 3/26460 820.0 0.283 0.543 0.357 0.000 0.145 0.000 3/26460 830.0 0.280 0.537 0.353 0.000 0.143 0.000 3/26460 840.0 0.277 0.531 0.349 0.000 0.142 0.000 3/26460 850.0 0.274 0.525 0.345 0.000 0.140 0.000 3/26460 860.0 0.271 0.520 0.342 0.000 0.138 0.000 3/26460 870.0 0.268 0.514 0.338 0.000 0.137 0.000 3/26460 880.0 0.265 0.509 0.334 0.000 0.135 0.000 3/26460 890.0 0.262 0.503 0.331 0.000 0.134 0.000 3/26460 900.0 0.260 0.498 0.328 0.000 0.133 0.000 3/26460 910.0 0.257 0.493 0.324 0.000 0.131 0.000 3/26460 920.0 0.254 0.488 0.321 0.000 0.130 0.000 3/26460 930.0 0.252 0.483 0.318 0.000 0.129 0.000 3/26460 940.0 0.249 0.478 0.314 0.000 0.127 0.000 3/26460 950.0 0.247 0.474 0.311 0.000 0.126 0.000 3/26460 960.0 0.244 0.469 0.308 0.000 0.125 0.000 3/26460 970.0 0.242 0.464 0.305 0.000 0.124 0.000 3/26460 980.0 0.240 0.460 0.302 0.000 0.122 0.000 3/26460 990.0 0.237 0.455 0.300 0.000 0.121 0.000 3/26460 1000.0 0.235 0.451 0.297 0.000 0.120 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:45:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|