----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:54:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.348685650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.615405880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.020572730000000 Atomic positions (fractional): *1 H 0.34205440375856 0.38490727759628 0.29706966957159 1.008 2 H 0.15794559624144 0.38490727759628 0.20293033042840 1.008 3 H 0.15794559624144 0.61509272240372 0.79706966957159 1.008 4 H 0.34205440375856 0.61509272240372 0.70293033042841 1.008 5 H 0.65794559624144 0.61509272240372 0.70293033042841 1.008 6 H 0.84205440375856 0.61509272240372 0.79706966957159 1.008 7 H 0.84205440375856 0.38490727759628 0.20293033042840 1.008 8 H 0.65794559624144 0.38490727759628 0.29706966957159 1.008 *9 H 0.20531961174172 0.71900193108681 0.34560352383531 1.008 10 H 0.29468038825828 0.71900193108681 0.15439647616470 1.008 11 H 0.29468038825828 0.28099806891319 0.84560352383531 1.008 12 H 0.20531961174172 0.28099806891319 0.65439647616469 1.008 *13 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 14 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 *15 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 16 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 17 H 0.79468038825828 0.71900193108681 0.34560352383531 1.008 18 H 0.70531961174172 0.71900193108681 0.15439647616470 1.008 19 H 0.70531961174172 0.28099806891319 0.84560352383531 1.008 20 H 0.79468038825828 0.28099806891319 0.65439647616469 1.008 *21 N 0.75000000000000 0.55129504536573 0.25000000000000 14.007 22 N 0.75000000000000 0.44870495463427 0.75000000000000 14.007 23 N 0.25000000000000 0.44870495463427 0.75000000000000 14.007 24 N 0.25000000000000 0.55129504536573 0.25000000000000 14.007 *25 F 0.36283270204016 0.00000000000000 0.00000000000000 18.998 26 F 0.13716729795984 0.00000000000000 0.50000000000000 18.998 27 F 0.63716729795984 0.00000000000000 0.00000000000000 18.998 28 F 0.86283270204016 0.00000000000000 0.50000000000000 18.998 *29 F 0.00000000000000 0.12759646879959 0.13101400655501 18.998 30 F 0.50000000000000 0.12759646879959 0.36898599344499 18.998 31 F 0.50000000000000 0.87240353120041 0.63101400655501 18.998 32 F 0.00000000000000 0.87240353120041 0.86898599344499 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.348685650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.615405880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.020572730000000 Atomic positions (fractional): *1 H 0.34205440375856 0.38490727759628 0.29706966957159 1.008 > 1 2 H 0.15794559624144 0.38490727759628 0.20293033042840 1.008 > 2 3 H 0.15794559624144 0.61509272240372 0.79706966957159 1.008 > 3 4 H 0.34205440375856 0.61509272240372 0.70293033042841 1.008 > 4 5 H 0.65794559624144 0.61509272240372 0.70293033042841 1.008 > 5 6 H 0.84205440375856 0.61509272240372 0.79706966957159 1.008 > 6 7 H 0.84205440375856 0.38490727759628 0.20293033042840 1.008 > 7 8 H 0.65794559624144 0.38490727759628 0.29706966957159 1.008 > 8 *9 H 0.20531961174172 0.71900193108681 0.34560352383531 1.008 > 9 10 H 0.29468038825828 0.71900193108681 0.15439647616470 1.008 > 10 11 H 0.29468038825828 0.28099806891319 0.84560352383531 1.008 > 11 12 H 0.20531961174172 0.28099806891319 0.65439647616469 1.008 > 12 *13 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 13 14 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 14 *15 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 15 16 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 16 17 H 0.79468038825828 0.71900193108681 0.34560352383531 1.008 > 17 18 H 0.70531961174172 0.71900193108681 0.15439647616470 1.008 > 18 19 H 0.70531961174172 0.28099806891319 0.84560352383531 1.008 > 19 20 H 0.79468038825828 0.28099806891319 0.65439647616469 1.008 > 20 *21 N 0.75000000000000 0.55129504536573 0.25000000000000 14.007 > 21 22 N 0.75000000000000 0.44870495463427 0.75000000000000 14.007 > 22 23 N 0.25000000000000 0.44870495463427 0.75000000000000 14.007 > 23 24 N 0.25000000000000 0.55129504536573 0.25000000000000 14.007 > 24 *25 F 0.36283270204016 0.00000000000000 0.00000000000000 18.998 > 25 26 F 0.13716729795984 0.00000000000000 0.50000000000000 18.998 > 26 27 F 0.63716729795984 0.00000000000000 0.00000000000000 18.998 > 27 28 F 0.86283270204016 0.00000000000000 0.50000000000000 18.998 > 28 *29 F 0.00000000000000 0.12759646879959 0.13101400655501 18.998 > 29 30 F 0.50000000000000 0.12759646879959 0.36898599344499 18.998 > 30 31 F 0.50000000000000 0.87240353120041 0.63101400655501 18.998 > 31 32 F 0.00000000000000 0.87240353120041 0.86898599344499 18.998 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.348685650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846217639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.020572730000000 Atomic positions (fractional): *1 H 0.34205440375856 0.12830242586543 0.29706966957159 1.008 > 1 2 H 0.34205440375856 0.46163575919876 0.29706966957159 1.008 > 1 3 H 0.34205440375856 0.79496909253209 0.29706966957159 1.008 > 1 4 H 0.15794559624144 0.12830242586543 0.20293033042840 1.008 > 2 5 H 0.15794559624144 0.46163575919876 0.20293033042840 1.008 > 2 6 H 0.15794559624144 0.79496909253209 0.20293033042840 1.008 > 2 7 H 0.15794559624144 0.20503090746791 0.79706966957159 1.008 > 3 8 H 0.15794559624144 0.53836424080124 0.79706966957159 1.008 > 3 9 H 0.15794559624144 0.87169757413457 0.79706966957159 1.008 > 3 10 H 0.34205440375856 0.20503090746791 0.70293033042841 1.008 > 4 11 H 0.34205440375856 0.53836424080124 0.70293033042841 1.008 > 4 12 H 0.34205440375856 0.87169757413457 0.70293033042841 1.008 > 4 13 H 0.65794559624144 0.20503090746791 0.70293033042841 1.008 > 5 14 H 0.65794559624144 0.53836424080124 0.70293033042841 1.008 > 5 15 H 0.65794559624144 0.87169757413457 0.70293033042841 1.008 > 5 16 H 0.84205440375856 0.20503090746791 0.79706966957159 1.008 > 6 17 H 0.84205440375856 0.53836424080124 0.79706966957159 1.008 > 6 18 H 0.84205440375856 0.87169757413457 0.79706966957159 1.008 > 6 19 H 0.84205440375856 0.12830242586543 0.20293033042840 1.008 > 7 20 H 0.84205440375856 0.46163575919876 0.20293033042840 1.008 > 7 21 H 0.84205440375856 0.79496909253209 0.20293033042840 1.008 > 7 22 H 0.65794559624144 0.12830242586543 0.29706966957159 1.008 > 8 23 H 0.65794559624144 0.46163575919876 0.29706966957159 1.008 > 8 24 H 0.65794559624144 0.79496909253209 0.29706966957159 1.008 > 8 *25 H 0.20531961174172 0.23966731036227 0.34560352383531 1.008 > 9 26 H 0.20531961174172 0.57300064369560 0.34560352383531 1.008 > 9 27 H 0.20531961174172 0.90633397702894 0.34560352383531 1.008 > 9 28 H 0.29468038825828 0.23966731036227 0.15439647616470 1.008 > 10 29 H 0.29468038825828 0.57300064369560 0.15439647616470 1.008 > 10 30 H 0.29468038825828 0.90633397702894 0.15439647616470 1.008 > 10 31 H 0.29468038825828 0.09366602297106 0.84560352383531 1.008 > 11 32 H 0.29468038825828 0.42699935630440 0.84560352383531 1.008 > 11 33 H 0.29468038825828 0.76033268963773 0.84560352383531 1.008 > 11 34 H 0.20531961174172 0.09366602297106 0.65439647616469 1.008 > 12 35 H 0.20531961174172 0.42699935630440 0.65439647616469 1.008 > 12 36 H 0.20531961174172 0.76033268963773 0.65439647616469 1.008 > 12 *37 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 13 38 H 0.00000000000000 0.33333333333333 0.50000000000000 1.008 > 13 39 H 0.00000000000000 0.66666666666667 0.50000000000000 1.008 > 13 40 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 14 41 H 0.50000000000000 0.33333333333333 0.00000000000000 1.008 > 14 42 H 0.50000000000000 0.66666666666667 0.00000000000000 1.008 > 14 *43 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 15 44 H 0.50000000000000 0.33333333333333 0.50000000000000 1.008 > 15 45 H 0.50000000000000 0.66666666666667 0.50000000000000 1.008 > 15 46 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 16 47 H 0.00000000000000 0.33333333333333 0.00000000000000 1.008 > 16 48 H 0.00000000000000 0.66666666666667 0.00000000000000 1.008 > 16 49 H 0.79468038825828 0.23966731036227 0.34560352383531 1.008 > 17 50 H 0.79468038825828 0.57300064369560 0.34560352383531 1.008 > 17 51 H 0.79468038825828 0.90633397702894 0.34560352383531 1.008 > 17 52 H 0.70531961174172 0.23966731036227 0.15439647616470 1.008 > 18 53 H 0.70531961174172 0.57300064369560 0.15439647616470 1.008 > 18 54 H 0.70531961174172 0.90633397702894 0.15439647616470 1.008 > 18 55 H 0.70531961174172 0.09366602297106 0.84560352383531 1.008 > 19 56 H 0.70531961174172 0.42699935630440 0.84560352383531 1.008 > 19 57 H 0.70531961174172 0.76033268963773 0.84560352383531 1.008 > 19 58 H 0.79468038825828 0.09366602297106 0.65439647616469 1.008 > 20 59 H 0.79468038825828 0.42699935630440 0.65439647616469 1.008 > 20 60 H 0.79468038825828 0.76033268963773 0.65439647616469 1.008 > 20 *61 N 0.75000000000000 0.18376501512191 0.25000000000000 14.007 > 21 62 N 0.75000000000000 0.51709834845524 0.25000000000000 14.007 > 21 63 N 0.75000000000000 0.85043168178858 0.25000000000000 14.007 > 21 64 N 0.75000000000000 0.14956831821142 0.75000000000000 14.007 > 22 65 N 0.75000000000000 0.48290165154476 0.75000000000000 14.007 > 22 66 N 0.75000000000000 0.81623498487809 0.75000000000000 14.007 > 22 67 N 0.25000000000000 0.14956831821142 0.75000000000000 14.007 > 23 68 N 0.25000000000000 0.48290165154476 0.75000000000000 14.007 > 23 69 N 0.25000000000000 0.81623498487809 0.75000000000000 14.007 > 23 70 N 0.25000000000000 0.18376501512191 0.25000000000000 14.007 > 24 71 N 0.25000000000000 0.51709834845524 0.25000000000000 14.007 > 24 72 N 0.25000000000000 0.85043168178858 0.25000000000000 14.007 > 24 *73 F 0.36283270204016 0.00000000000000 0.00000000000000 18.998 > 25 74 F 0.36283270204016 0.33333333333333 0.00000000000000 18.998 > 25 75 F 0.36283270204016 0.66666666666667 0.00000000000000 18.998 > 25 76 F 0.13716729795984 0.00000000000000 0.50000000000000 18.998 > 26 77 F 0.13716729795984 0.33333333333333 0.50000000000000 18.998 > 26 78 F 0.13716729795984 0.66666666666667 0.50000000000000 18.998 > 26 79 F 0.63716729795984 0.00000000000000 0.00000000000000 18.998 > 27 80 F 0.63716729795984 0.33333333333333 0.00000000000000 18.998 > 27 81 F 0.63716729795984 0.66666666666667 0.00000000000000 18.998 > 27 82 F 0.86283270204016 0.00000000000000 0.50000000000000 18.998 > 28 83 F 0.86283270204016 0.33333333333333 0.50000000000000 18.998 > 28 84 F 0.86283270204016 0.66666666666667 0.50000000000000 18.998 > 28 *85 F 0.00000000000000 0.04253215626653 0.13101400655501 18.998 > 29 86 F 0.00000000000000 0.37586548959986 0.13101400655501 18.998 > 29 87 F 0.00000000000000 0.70919882293320 0.13101400655501 18.998 > 29 88 F 0.50000000000000 0.04253215626653 0.36898599344499 18.998 > 30 89 F 0.50000000000000 0.37586548959986 0.36898599344499 18.998 > 30 90 F 0.50000000000000 0.70919882293320 0.36898599344499 18.998 > 30 91 F 0.50000000000000 0.29080117706680 0.63101400655501 18.998 > 31 92 F 0.50000000000000 0.62413451040014 0.63101400655501 18.998 > 31 93 F 0.50000000000000 0.95746784373347 0.63101400655501 18.998 > 31 94 F 0.00000000000000 0.29080117706680 0.86898599344499 18.998 > 32 95 F 0.00000000000000 0.62413451040014 0.86898599344499 18.998 > 32 96 F 0.00000000000000 0.95746784373347 0.86898599344499 18.998 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0567192 0.0000000 0.0000000 0.0000000 1.9952896 0.0000000 0.0000000 0.0000000 2.0437546 -------------------------- Born effective charges -------------------------- 1 H 0.6804365 -0.3105927 0.2032091 -0.3074872 0.4993452 -0.1458414 0.2262075 -0.1598242 0.3594436 2 H 0.6804365 0.3105927 0.2032091 0.3074872 0.4993452 0.1458414 0.2262075 0.1598242 0.3594436 3 H 0.6804365 -0.3105927 -0.2032091 -0.3074872 0.4993452 0.1458414 -0.2262075 0.1598242 0.3594436 4 H 0.6804365 0.3105927 -0.2032091 0.3074872 0.4993452 -0.1458414 -0.2262075 -0.1598242 0.3594436 5 H 0.6804365 -0.3105927 0.2032091 -0.3074872 0.4993452 -0.1458414 0.2262075 -0.1598242 0.3594436 6 H 0.6804365 0.3105927 0.2032091 0.3074872 0.4993452 0.1458414 0.2262075 0.1598242 0.3594436 7 H 0.6804365 -0.3105927 -0.2032091 -0.3074872 0.4993452 0.1458414 -0.2262075 0.1598242 0.3594436 8 H 0.6804365 0.3105927 -0.2032091 0.3074872 0.4993452 -0.1458414 -0.2262075 -0.1598242 0.3594436 9 H 0.3473976 -0.1695667 -0.2086441 -0.1608938 0.5328011 0.3141522 -0.1989691 0.3249298 0.6670297 10 H 0.3473976 0.1695667 -0.2086441 0.1608938 0.5328011 -0.3141522 -0.1989691 -0.3249298 0.6670297 11 H 0.3473976 -0.1695667 0.2086441 -0.1608938 0.5328011 -0.3141522 0.1989691 -0.3249298 0.6670297 12 H 0.3473976 0.1695667 0.2086441 0.1608938 0.5328011 0.3141522 0.1989691 0.3249298 0.6670297 13 H 2.0836820 0.0000000 0.0000000 0.0000000 0.3117058 -0.0350563 0.0000000 -0.0331116 0.3499480 14 H 2.0836820 0.0000000 0.0000000 0.0000000 0.3117058 0.0350563 0.0000000 0.0331116 0.3499480 15 H 0.3179859 0.0000000 0.0000000 0.0000000 0.6873318 -0.7868178 0.0000000 -0.6275216 1.8008164 16 H 0.3179859 0.0000000 0.0000000 0.0000000 0.6873318 0.7868178 0.0000000 0.6275216 1.8008164 17 H 0.3473976 0.1695667 0.2086441 0.1608938 0.5328011 0.3141522 0.1989691 0.3249298 0.6670297 18 H 0.3473976 -0.1695667 0.2086441 -0.1608938 0.5328011 -0.3141522 0.1989691 -0.3249298 0.6670297 19 H 0.3473976 0.1695667 -0.2086441 0.1608938 0.5328011 -0.3141522 -0.1989691 -0.3249298 0.6670297 20 H 0.3473976 -0.1695667 -0.2086441 -0.1608938 0.5328011 0.3141522 -0.1989691 0.3249298 0.6670297 21 N -0.7326986 0.0000000 -0.0001500 0.0000000 -0.7379808 0.0000000 0.0153902 0.0000000 -0.7367119 22 N -0.7326986 0.0000000 0.0001500 0.0000000 -0.7379808 0.0000000 -0.0153902 0.0000000 -0.7367119 23 N -0.7326986 0.0000000 -0.0001500 0.0000000 -0.7379808 0.0000000 0.0153902 0.0000000 -0.7367119 24 N -0.7326986 0.0000000 0.0001500 0.0000000 -0.7379808 0.0000000 -0.0153902 0.0000000 -0.7367119 25 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 0.2810796 0.0000000 0.2996256 -1.0115029 26 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 -0.2810796 0.0000000 -0.2996256 -1.0115029 27 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 0.2810796 0.0000000 0.2996256 -1.0115029 28 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 -0.2810796 0.0000000 -0.2996256 -1.0115029 29 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 -0.5289421 0.0000000 -0.4628883 -1.3801139 30 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 0.5289421 0.0000000 0.4628883 -1.3801139 31 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 0.5289421 0.0000000 0.4628883 -1.3801139 32 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 -0.5289421 0.0000000 -0.4628883 -1.3801139 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1852 Number of blocks in projector: 1852 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: 412 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 244 Use standard eigh solver. Tree of FC basis block matrices: - (1852, 1809), data: False |-- (244, 237), data: True |-- (244, 237), data: True |-- (244, 237), data: True |-- (348, 344), data: True |-- (360, 354), data: True |-- (412, 400), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 0.320 Solver_block: 200 / 480 - Time: 0.320 Solver_block: 300 / 480 - Time: 0.317 Solver_block: 400 / 480 - Time: 0.317 Solver_block: 480 / 480 - Time: 0.286 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.598 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1852 Number of blocks in projector: 1852 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: 412 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 348 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 244 Use standard eigh solver. Tree of FC basis block matrices: - (1852, 1809), data: False |-- (244, 237), data: True |-- (244, 237), data: True |-- (244, 237), data: True |-- (348, 344), data: True |-- (360, 354), data: True |-- (412, 400), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:54:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:54:50]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.348685650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.615405880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.020572730000000 Atomic positions (fractional): 1 H 0.34205440375856 0.38490727759628 0.29706966957159 1.008 2 H 0.15794559624144 0.38490727759628 0.20293033042840 1.008 3 H 0.15794559624144 0.61509272240372 0.79706966957159 1.008 4 H 0.34205440375856 0.61509272240372 0.70293033042841 1.008 5 H 0.65794559624144 0.61509272240372 0.70293033042841 1.008 6 H 0.84205440375856 0.61509272240372 0.79706966957159 1.008 7 H 0.84205440375856 0.38490727759628 0.20293033042840 1.008 8 H 0.65794559624144 0.38490727759628 0.29706966957159 1.008 9 H 0.20531961174172 0.71900193108681 0.34560352383531 1.008 10 H 0.29468038825828 0.71900193108681 0.15439647616470 1.008 11 H 0.29468038825828 0.28099806891319 0.84560352383531 1.008 12 H 0.20531961174172 0.28099806891319 0.65439647616469 1.008 13 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 14 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 15 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 16 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 17 H 0.79468038825828 0.71900193108681 0.34560352383531 1.008 18 H 0.70531961174172 0.71900193108681 0.15439647616470 1.008 19 H 0.70531961174172 0.28099806891319 0.84560352383531 1.008 20 H 0.79468038825828 0.28099806891319 0.65439647616469 1.008 21 N 0.75000000000000 0.55129504536573 0.25000000000000 14.007 22 N 0.75000000000000 0.44870495463427 0.75000000000000 14.007 23 N 0.25000000000000 0.44870495463427 0.75000000000000 14.007 24 N 0.25000000000000 0.55129504536573 0.25000000000000 14.007 25 F 0.36283270204016 0.00000000000000 0.00000000000000 18.998 26 F 0.13716729795984 0.00000000000000 0.50000000000000 18.998 27 F 0.63716729795984 0.00000000000000 0.00000000000000 18.998 28 F 0.86283270204016 0.00000000000000 0.50000000000000 18.998 29 F 0.00000000000000 0.12759646879959 0.13101400655501 18.998 30 F 0.50000000000000 0.12759646879959 0.36898599344499 18.998 31 F 0.50000000000000 0.87240353120041 0.63101400655501 18.998 32 F 0.00000000000000 0.87240353120041 0.86898599344499 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.348685650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846217639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.020572730000000 Atomic positions (fractional): 1 H 0.34205440375856 0.12830242586543 0.29706966957159 1.008 > 1 2 H 0.34205440375856 0.46163575919876 0.29706966957159 1.008 > 1 3 H 0.34205440375856 0.79496909253209 0.29706966957159 1.008 > 1 4 H 0.15794559624144 0.12830242586543 0.20293033042840 1.008 > 4 5 H 0.15794559624144 0.46163575919876 0.20293033042840 1.008 > 4 6 H 0.15794559624144 0.79496909253209 0.20293033042840 1.008 > 4 7 H 0.15794559624144 0.20503090746791 0.79706966957159 1.008 > 7 8 H 0.15794559624144 0.53836424080124 0.79706966957159 1.008 > 7 9 H 0.15794559624144 0.87169757413457 0.79706966957159 1.008 > 7 10 H 0.34205440375856 0.20503090746791 0.70293033042841 1.008 > 10 11 H 0.34205440375856 0.53836424080124 0.70293033042841 1.008 > 10 12 H 0.34205440375856 0.87169757413457 0.70293033042841 1.008 > 10 13 H 0.65794559624144 0.20503090746791 0.70293033042841 1.008 > 13 14 H 0.65794559624144 0.53836424080124 0.70293033042841 1.008 > 13 15 H 0.65794559624144 0.87169757413457 0.70293033042841 1.008 > 13 16 H 0.84205440375856 0.20503090746791 0.79706966957159 1.008 > 16 17 H 0.84205440375856 0.53836424080124 0.79706966957159 1.008 > 16 18 H 0.84205440375856 0.87169757413457 0.79706966957159 1.008 > 16 19 H 0.84205440375856 0.12830242586543 0.20293033042840 1.008 > 19 20 H 0.84205440375856 0.46163575919876 0.20293033042840 1.008 > 19 21 H 0.84205440375856 0.79496909253209 0.20293033042840 1.008 > 19 22 H 0.65794559624144 0.12830242586543 0.29706966957159 1.008 > 22 23 H 0.65794559624144 0.46163575919876 0.29706966957159 1.008 > 22 24 H 0.65794559624144 0.79496909253209 0.29706966957159 1.008 > 22 25 H 0.20531961174172 0.23966731036227 0.34560352383531 1.008 > 25 26 H 0.20531961174172 0.57300064369560 0.34560352383531 1.008 > 25 27 H 0.20531961174172 0.90633397702894 0.34560352383531 1.008 > 25 28 H 0.29468038825828 0.23966731036227 0.15439647616470 1.008 > 28 29 H 0.29468038825828 0.57300064369560 0.15439647616470 1.008 > 28 30 H 0.29468038825828 0.90633397702894 0.15439647616470 1.008 > 28 31 H 0.29468038825828 0.09366602297106 0.84560352383531 1.008 > 31 32 H 0.29468038825828 0.42699935630440 0.84560352383531 1.008 > 31 33 H 0.29468038825828 0.76033268963773 0.84560352383531 1.008 > 31 34 H 0.20531961174172 0.09366602297106 0.65439647616469 1.008 > 34 35 H 0.20531961174172 0.42699935630440 0.65439647616469 1.008 > 34 36 H 0.20531961174172 0.76033268963773 0.65439647616469 1.008 > 34 37 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 37 38 H 0.00000000000000 0.33333333333333 0.50000000000000 1.008 > 37 39 H 0.00000000000000 0.66666666666667 0.50000000000000 1.008 > 37 40 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 40 41 H 0.50000000000000 0.33333333333333 0.00000000000000 1.008 > 40 42 H 0.50000000000000 0.66666666666667 0.00000000000000 1.008 > 40 43 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 43 44 H 0.50000000000000 0.33333333333333 0.50000000000000 1.008 > 43 45 H 0.50000000000000 0.66666666666667 0.50000000000000 1.008 > 43 46 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 46 47 H 0.00000000000000 0.33333333333333 0.00000000000000 1.008 > 46 48 H 0.00000000000000 0.66666666666667 0.00000000000000 1.008 > 46 49 H 0.79468038825828 0.23966731036227 0.34560352383531 1.008 > 49 50 H 0.79468038825828 0.57300064369560 0.34560352383531 1.008 > 49 51 H 0.79468038825828 0.90633397702894 0.34560352383531 1.008 > 49 52 H 0.70531961174172 0.23966731036227 0.15439647616470 1.008 > 52 53 H 0.70531961174172 0.57300064369560 0.15439647616470 1.008 > 52 54 H 0.70531961174172 0.90633397702894 0.15439647616470 1.008 > 52 55 H 0.70531961174172 0.09366602297106 0.84560352383531 1.008 > 55 56 H 0.70531961174172 0.42699935630440 0.84560352383531 1.008 > 55 57 H 0.70531961174172 0.76033268963773 0.84560352383531 1.008 > 55 58 H 0.79468038825828 0.09366602297106 0.65439647616469 1.008 > 58 59 H 0.79468038825828 0.42699935630440 0.65439647616469 1.008 > 58 60 H 0.79468038825828 0.76033268963773 0.65439647616469 1.008 > 58 61 N 0.75000000000000 0.18376501512191 0.25000000000000 14.007 > 61 62 N 0.75000000000000 0.51709834845524 0.25000000000000 14.007 > 61 63 N 0.75000000000000 0.85043168178858 0.25000000000000 14.007 > 61 64 N 0.75000000000000 0.14956831821142 0.75000000000000 14.007 > 64 65 N 0.75000000000000 0.48290165154476 0.75000000000000 14.007 > 64 66 N 0.75000000000000 0.81623498487809 0.75000000000000 14.007 > 64 67 N 0.25000000000000 0.14956831821142 0.75000000000000 14.007 > 67 68 N 0.25000000000000 0.48290165154476 0.75000000000000 14.007 > 67 69 N 0.25000000000000 0.81623498487809 0.75000000000000 14.007 > 67 70 N 0.25000000000000 0.18376501512191 0.25000000000000 14.007 > 70 71 N 0.25000000000000 0.51709834845524 0.25000000000000 14.007 > 70 72 N 0.25000000000000 0.85043168178858 0.25000000000000 14.007 > 70 73 F 0.36283270204016 0.00000000000000 0.00000000000000 18.998 > 73 74 F 0.36283270204016 0.33333333333333 0.00000000000000 18.998 > 73 75 F 0.36283270204016 0.66666666666667 0.00000000000000 18.998 > 73 76 F 0.13716729795984 0.00000000000000 0.50000000000000 18.998 > 76 77 F 0.13716729795984 0.33333333333333 0.50000000000000 18.998 > 76 78 F 0.13716729795984 0.66666666666667 0.50000000000000 18.998 > 76 79 F 0.63716729795984 0.00000000000000 0.00000000000000 18.998 > 79 80 F 0.63716729795984 0.33333333333333 0.00000000000000 18.998 > 79 81 F 0.63716729795984 0.66666666666667 0.00000000000000 18.998 > 79 82 F 0.86283270204016 0.00000000000000 0.50000000000000 18.998 > 82 83 F 0.86283270204016 0.33333333333333 0.50000000000000 18.998 > 82 84 F 0.86283270204016 0.66666666666667 0.50000000000000 18.998 > 82 85 F 0.00000000000000 0.04253215626653 0.13101400655501 18.998 > 85 86 F 0.00000000000000 0.37586548959986 0.13101400655501 18.998 > 85 87 F 0.00000000000000 0.70919882293320 0.13101400655501 18.998 > 85 88 F 0.50000000000000 0.04253215626653 0.36898599344499 18.998 > 88 89 F 0.50000000000000 0.37586548959986 0.36898599344499 18.998 > 88 90 F 0.50000000000000 0.70919882293320 0.36898599344499 18.998 > 88 91 F 0.50000000000000 0.29080117706680 0.63101400655501 18.998 > 91 92 F 0.50000000000000 0.62413451040014 0.63101400655501 18.998 > 91 93 F 0.50000000000000 0.95746784373347 0.63101400655501 18.998 > 91 94 F 0.00000000000000 0.29080117706680 0.86898599344499 18.998 > 94 95 F 0.00000000000000 0.62413451040014 0.86898599344499 18.998 > 94 96 F 0.00000000000000 0.95746784373347 0.86898599344499 18.998 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0567192 0.0000000 0.0000000 0.0000000 1.9952896 0.0000000 0.0000000 0.0000000 2.0437546 -------------------------- Born effective charges -------------------------- 1 H 0.6804365 -0.3105927 0.2032091 -0.3074872 0.4993452 -0.1458414 0.2262075 -0.1598242 0.3594436 2 H 0.6804365 0.3105927 0.2032091 0.3074872 0.4993452 0.1458414 0.2262075 0.1598242 0.3594436 3 H 0.6804365 -0.3105927 -0.2032091 -0.3074872 0.4993452 0.1458414 -0.2262075 0.1598242 0.3594436 4 H 0.6804365 0.3105927 -0.2032091 0.3074872 0.4993452 -0.1458414 -0.2262075 -0.1598242 0.3594436 5 H 0.6804365 -0.3105927 0.2032091 -0.3074872 0.4993452 -0.1458414 0.2262075 -0.1598242 0.3594436 6 H 0.6804365 0.3105927 0.2032091 0.3074872 0.4993452 0.1458414 0.2262075 0.1598242 0.3594436 7 H 0.6804365 -0.3105927 -0.2032091 -0.3074872 0.4993452 0.1458414 -0.2262075 0.1598242 0.3594436 8 H 0.6804365 0.3105927 -0.2032091 0.3074872 0.4993452 -0.1458414 -0.2262075 -0.1598242 0.3594436 9 H 0.3473976 -0.1695667 -0.2086441 -0.1608938 0.5328011 0.3141522 -0.1989691 0.3249298 0.6670297 10 H 0.3473976 0.1695667 -0.2086441 0.1608938 0.5328011 -0.3141522 -0.1989691 -0.3249298 0.6670297 11 H 0.3473976 -0.1695667 0.2086441 -0.1608938 0.5328011 -0.3141522 0.1989691 -0.3249298 0.6670297 12 H 0.3473976 0.1695667 0.2086441 0.1608938 0.5328011 0.3141522 0.1989691 0.3249298 0.6670297 13 H 2.0836820 0.0000000 0.0000000 0.0000000 0.3117058 -0.0350563 0.0000000 -0.0331116 0.3499480 14 H 2.0836820 0.0000000 0.0000000 0.0000000 0.3117058 0.0350563 0.0000000 0.0331116 0.3499480 15 H 0.3179859 0.0000000 0.0000000 0.0000000 0.6873318 -0.7868178 0.0000000 -0.6275216 1.8008164 16 H 0.3179859 0.0000000 0.0000000 0.0000000 0.6873318 0.7868178 0.0000000 0.6275216 1.8008164 17 H 0.3473976 0.1695667 0.2086441 0.1608938 0.5328011 0.3141522 0.1989691 0.3249298 0.6670297 18 H 0.3473976 -0.1695667 0.2086441 -0.1608938 0.5328011 -0.3141522 0.1989691 -0.3249298 0.6670297 19 H 0.3473976 0.1695667 -0.2086441 0.1608938 0.5328011 -0.3141522 -0.1989691 -0.3249298 0.6670297 20 H 0.3473976 -0.1695667 -0.2086441 -0.1608938 0.5328011 0.3141522 -0.1989691 0.3249298 0.6670297 21 N -0.7326986 0.0000000 -0.0001500 0.0000000 -0.7379808 0.0000000 0.0153902 0.0000000 -0.7367119 22 N -0.7326986 0.0000000 0.0001500 0.0000000 -0.7379808 0.0000000 -0.0153902 0.0000000 -0.7367119 23 N -0.7326986 0.0000000 -0.0001500 0.0000000 -0.7379808 0.0000000 0.0153902 0.0000000 -0.7367119 24 N -0.7326986 0.0000000 0.0001500 0.0000000 -0.7379808 0.0000000 -0.0153902 0.0000000 -0.7367119 25 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 0.2810796 0.0000000 0.2996256 -1.0115029 26 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 -0.2810796 0.0000000 -0.2996256 -1.0115029 27 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 0.2810796 0.0000000 0.2996256 -1.0115029 28 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 -0.2810796 0.0000000 -0.2996256 -1.0115029 29 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 -0.5289421 0.0000000 -0.4628883 -1.3801139 30 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 0.5289421 0.0000000 0.4628883 -1.3801139 31 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 0.5289421 0.0000000 0.4628883 -1.3801139 32 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 -0.5289421 0.0000000 -0.4628883 -1.3801139 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 08:55:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:55:07]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.348685650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.615405880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.020572730000000 Atomic positions (fractional): 1 H 0.34205440375856 0.38490727759628 0.29706966957159 1.008 2 H 0.15794559624144 0.38490727759628 0.20293033042840 1.008 3 H 0.15794559624144 0.61509272240372 0.79706966957159 1.008 4 H 0.34205440375856 0.61509272240372 0.70293033042841 1.008 5 H 0.65794559624144 0.61509272240372 0.70293033042841 1.008 6 H 0.84205440375856 0.61509272240372 0.79706966957159 1.008 7 H 0.84205440375856 0.38490727759628 0.20293033042840 1.008 8 H 0.65794559624144 0.38490727759628 0.29706966957159 1.008 9 H 0.20531961174172 0.71900193108681 0.34560352383531 1.008 10 H 0.29468038825828 0.71900193108681 0.15439647616470 1.008 11 H 0.29468038825828 0.28099806891319 0.84560352383531 1.008 12 H 0.20531961174172 0.28099806891319 0.65439647616469 1.008 13 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 14 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 15 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 16 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 17 H 0.79468038825828 0.71900193108681 0.34560352383531 1.008 18 H 0.70531961174172 0.71900193108681 0.15439647616470 1.008 19 H 0.70531961174172 0.28099806891319 0.84560352383531 1.008 20 H 0.79468038825828 0.28099806891319 0.65439647616469 1.008 21 N 0.75000000000000 0.55129504536573 0.25000000000000 14.007 22 N 0.75000000000000 0.44870495463427 0.75000000000000 14.007 23 N 0.25000000000000 0.44870495463427 0.75000000000000 14.007 24 N 0.25000000000000 0.55129504536573 0.25000000000000 14.007 25 F 0.36283270204016 0.00000000000000 0.00000000000000 18.998 26 F 0.13716729795984 0.00000000000000 0.50000000000000 18.998 27 F 0.63716729795984 0.00000000000000 0.00000000000000 18.998 28 F 0.86283270204016 0.00000000000000 0.50000000000000 18.998 29 F 0.00000000000000 0.12759646879959 0.13101400655501 18.998 30 F 0.50000000000000 0.12759646879959 0.36898599344499 18.998 31 F 0.50000000000000 0.87240353120041 0.63101400655501 18.998 32 F 0.00000000000000 0.87240353120041 0.86898599344499 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.348685650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.846217639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.020572730000000 Atomic positions (fractional): 1 H 0.34205440375856 0.12830242586543 0.29706966957159 1.008 > 1 2 H 0.34205440375856 0.46163575919876 0.29706966957159 1.008 > 1 3 H 0.34205440375856 0.79496909253209 0.29706966957159 1.008 > 1 4 H 0.15794559624144 0.12830242586543 0.20293033042840 1.008 > 4 5 H 0.15794559624144 0.46163575919876 0.20293033042840 1.008 > 4 6 H 0.15794559624144 0.79496909253209 0.20293033042840 1.008 > 4 7 H 0.15794559624144 0.20503090746791 0.79706966957159 1.008 > 7 8 H 0.15794559624144 0.53836424080124 0.79706966957159 1.008 > 7 9 H 0.15794559624144 0.87169757413457 0.79706966957159 1.008 > 7 10 H 0.34205440375856 0.20503090746791 0.70293033042841 1.008 > 10 11 H 0.34205440375856 0.53836424080124 0.70293033042841 1.008 > 10 12 H 0.34205440375856 0.87169757413457 0.70293033042841 1.008 > 10 13 H 0.65794559624144 0.20503090746791 0.70293033042841 1.008 > 13 14 H 0.65794559624144 0.53836424080124 0.70293033042841 1.008 > 13 15 H 0.65794559624144 0.87169757413457 0.70293033042841 1.008 > 13 16 H 0.84205440375856 0.20503090746791 0.79706966957159 1.008 > 16 17 H 0.84205440375856 0.53836424080124 0.79706966957159 1.008 > 16 18 H 0.84205440375856 0.87169757413457 0.79706966957159 1.008 > 16 19 H 0.84205440375856 0.12830242586543 0.20293033042840 1.008 > 19 20 H 0.84205440375856 0.46163575919876 0.20293033042840 1.008 > 19 21 H 0.84205440375856 0.79496909253209 0.20293033042840 1.008 > 19 22 H 0.65794559624144 0.12830242586543 0.29706966957159 1.008 > 22 23 H 0.65794559624144 0.46163575919876 0.29706966957159 1.008 > 22 24 H 0.65794559624144 0.79496909253209 0.29706966957159 1.008 > 22 25 H 0.20531961174172 0.23966731036227 0.34560352383531 1.008 > 25 26 H 0.20531961174172 0.57300064369560 0.34560352383531 1.008 > 25 27 H 0.20531961174172 0.90633397702894 0.34560352383531 1.008 > 25 28 H 0.29468038825828 0.23966731036227 0.15439647616470 1.008 > 28 29 H 0.29468038825828 0.57300064369560 0.15439647616470 1.008 > 28 30 H 0.29468038825828 0.90633397702894 0.15439647616470 1.008 > 28 31 H 0.29468038825828 0.09366602297106 0.84560352383531 1.008 > 31 32 H 0.29468038825828 0.42699935630440 0.84560352383531 1.008 > 31 33 H 0.29468038825828 0.76033268963773 0.84560352383531 1.008 > 31 34 H 0.20531961174172 0.09366602297106 0.65439647616469 1.008 > 34 35 H 0.20531961174172 0.42699935630440 0.65439647616469 1.008 > 34 36 H 0.20531961174172 0.76033268963773 0.65439647616469 1.008 > 34 37 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 37 38 H 0.00000000000000 0.33333333333333 0.50000000000000 1.008 > 37 39 H 0.00000000000000 0.66666666666667 0.50000000000000 1.008 > 37 40 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 40 41 H 0.50000000000000 0.33333333333333 0.00000000000000 1.008 > 40 42 H 0.50000000000000 0.66666666666667 0.00000000000000 1.008 > 40 43 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 43 44 H 0.50000000000000 0.33333333333333 0.50000000000000 1.008 > 43 45 H 0.50000000000000 0.66666666666667 0.50000000000000 1.008 > 43 46 H 0.00000000000000 0.00000000000000 0.00000000000000 1.008 > 46 47 H 0.00000000000000 0.33333333333333 0.00000000000000 1.008 > 46 48 H 0.00000000000000 0.66666666666667 0.00000000000000 1.008 > 46 49 H 0.79468038825828 0.23966731036227 0.34560352383531 1.008 > 49 50 H 0.79468038825828 0.57300064369560 0.34560352383531 1.008 > 49 51 H 0.79468038825828 0.90633397702894 0.34560352383531 1.008 > 49 52 H 0.70531961174172 0.23966731036227 0.15439647616470 1.008 > 52 53 H 0.70531961174172 0.57300064369560 0.15439647616470 1.008 > 52 54 H 0.70531961174172 0.90633397702894 0.15439647616470 1.008 > 52 55 H 0.70531961174172 0.09366602297106 0.84560352383531 1.008 > 55 56 H 0.70531961174172 0.42699935630440 0.84560352383531 1.008 > 55 57 H 0.70531961174172 0.76033268963773 0.84560352383531 1.008 > 55 58 H 0.79468038825828 0.09366602297106 0.65439647616469 1.008 > 58 59 H 0.79468038825828 0.42699935630440 0.65439647616469 1.008 > 58 60 H 0.79468038825828 0.76033268963773 0.65439647616469 1.008 > 58 61 N 0.75000000000000 0.18376501512191 0.25000000000000 14.007 > 61 62 N 0.75000000000000 0.51709834845524 0.25000000000000 14.007 > 61 63 N 0.75000000000000 0.85043168178858 0.25000000000000 14.007 > 61 64 N 0.75000000000000 0.14956831821142 0.75000000000000 14.007 > 64 65 N 0.75000000000000 0.48290165154476 0.75000000000000 14.007 > 64 66 N 0.75000000000000 0.81623498487809 0.75000000000000 14.007 > 64 67 N 0.25000000000000 0.14956831821142 0.75000000000000 14.007 > 67 68 N 0.25000000000000 0.48290165154476 0.75000000000000 14.007 > 67 69 N 0.25000000000000 0.81623498487809 0.75000000000000 14.007 > 67 70 N 0.25000000000000 0.18376501512191 0.25000000000000 14.007 > 70 71 N 0.25000000000000 0.51709834845524 0.25000000000000 14.007 > 70 72 N 0.25000000000000 0.85043168178858 0.25000000000000 14.007 > 70 73 F 0.36283270204016 0.00000000000000 0.00000000000000 18.998 > 73 74 F 0.36283270204016 0.33333333333333 0.00000000000000 18.998 > 73 75 F 0.36283270204016 0.66666666666667 0.00000000000000 18.998 > 73 76 F 0.13716729795984 0.00000000000000 0.50000000000000 18.998 > 76 77 F 0.13716729795984 0.33333333333333 0.50000000000000 18.998 > 76 78 F 0.13716729795984 0.66666666666667 0.50000000000000 18.998 > 76 79 F 0.63716729795984 0.00000000000000 0.00000000000000 18.998 > 79 80 F 0.63716729795984 0.33333333333333 0.00000000000000 18.998 > 79 81 F 0.63716729795984 0.66666666666667 0.00000000000000 18.998 > 79 82 F 0.86283270204016 0.00000000000000 0.50000000000000 18.998 > 82 83 F 0.86283270204016 0.33333333333333 0.50000000000000 18.998 > 82 84 F 0.86283270204016 0.66666666666667 0.50000000000000 18.998 > 82 85 F 0.00000000000000 0.04253215626653 0.13101400655501 18.998 > 85 86 F 0.00000000000000 0.37586548959986 0.13101400655501 18.998 > 85 87 F 0.00000000000000 0.70919882293320 0.13101400655501 18.998 > 85 88 F 0.50000000000000 0.04253215626653 0.36898599344499 18.998 > 88 89 F 0.50000000000000 0.37586548959986 0.36898599344499 18.998 > 88 90 F 0.50000000000000 0.70919882293320 0.36898599344499 18.998 > 88 91 F 0.50000000000000 0.29080117706680 0.63101400655501 18.998 > 91 92 F 0.50000000000000 0.62413451040014 0.63101400655501 18.998 > 91 93 F 0.50000000000000 0.95746784373347 0.63101400655501 18.998 > 91 94 F 0.00000000000000 0.29080117706680 0.86898599344499 18.998 > 94 95 F 0.00000000000000 0.62413451040014 0.86898599344499 18.998 > 94 96 F 0.00000000000000 0.95746784373347 0.86898599344499 18.998 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0567192 0.0000000 0.0000000 0.0000000 1.9952896 0.0000000 0.0000000 0.0000000 2.0437546 -------------------------- Born effective charges -------------------------- 1 H 0.6804365 -0.3105927 0.2032091 -0.3074872 0.4993452 -0.1458414 0.2262075 -0.1598242 0.3594436 2 H 0.6804365 0.3105927 0.2032091 0.3074872 0.4993452 0.1458414 0.2262075 0.1598242 0.3594436 3 H 0.6804365 -0.3105927 -0.2032091 -0.3074872 0.4993452 0.1458414 -0.2262075 0.1598242 0.3594436 4 H 0.6804365 0.3105927 -0.2032091 0.3074872 0.4993452 -0.1458414 -0.2262075 -0.1598242 0.3594436 5 H 0.6804365 -0.3105927 0.2032091 -0.3074872 0.4993452 -0.1458414 0.2262075 -0.1598242 0.3594436 6 H 0.6804365 0.3105927 0.2032091 0.3074872 0.4993452 0.1458414 0.2262075 0.1598242 0.3594436 7 H 0.6804365 -0.3105927 -0.2032091 -0.3074872 0.4993452 0.1458414 -0.2262075 0.1598242 0.3594436 8 H 0.6804365 0.3105927 -0.2032091 0.3074872 0.4993452 -0.1458414 -0.2262075 -0.1598242 0.3594436 9 H 0.3473976 -0.1695667 -0.2086441 -0.1608938 0.5328011 0.3141522 -0.1989691 0.3249298 0.6670297 10 H 0.3473976 0.1695667 -0.2086441 0.1608938 0.5328011 -0.3141522 -0.1989691 -0.3249298 0.6670297 11 H 0.3473976 -0.1695667 0.2086441 -0.1608938 0.5328011 -0.3141522 0.1989691 -0.3249298 0.6670297 12 H 0.3473976 0.1695667 0.2086441 0.1608938 0.5328011 0.3141522 0.1989691 0.3249298 0.6670297 13 H 2.0836820 0.0000000 0.0000000 0.0000000 0.3117058 -0.0350563 0.0000000 -0.0331116 0.3499480 14 H 2.0836820 0.0000000 0.0000000 0.0000000 0.3117058 0.0350563 0.0000000 0.0331116 0.3499480 15 H 0.3179859 0.0000000 0.0000000 0.0000000 0.6873318 -0.7868178 0.0000000 -0.6275216 1.8008164 16 H 0.3179859 0.0000000 0.0000000 0.0000000 0.6873318 0.7868178 0.0000000 0.6275216 1.8008164 17 H 0.3473976 0.1695667 0.2086441 0.1608938 0.5328011 0.3141522 0.1989691 0.3249298 0.6670297 18 H 0.3473976 -0.1695667 0.2086441 -0.1608938 0.5328011 -0.3141522 0.1989691 -0.3249298 0.6670297 19 H 0.3473976 0.1695667 -0.2086441 0.1608938 0.5328011 -0.3141522 -0.1989691 -0.3249298 0.6670297 20 H 0.3473976 -0.1695667 -0.2086441 -0.1608938 0.5328011 0.3141522 -0.1989691 0.3249298 0.6670297 21 N -0.7326986 0.0000000 -0.0001500 0.0000000 -0.7379808 0.0000000 0.0153902 0.0000000 -0.7367119 22 N -0.7326986 0.0000000 0.0001500 0.0000000 -0.7379808 0.0000000 -0.0153902 0.0000000 -0.7367119 23 N -0.7326986 0.0000000 -0.0001500 0.0000000 -0.7379808 0.0000000 0.0153902 0.0000000 -0.7367119 24 N -0.7326986 0.0000000 0.0001500 0.0000000 -0.7379808 0.0000000 -0.0153902 0.0000000 -0.7367119 25 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 0.2810796 0.0000000 0.2996256 -1.0115029 26 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 -0.2810796 0.0000000 -0.2996256 -1.0115029 27 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 0.2810796 0.0000000 0.2996256 -1.0115029 28 F -1.5019222 0.0000000 0.0000000 0.0000000 -0.8444245 -0.2810796 0.0000000 -0.2996256 -1.0115029 29 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 -0.5289421 0.0000000 -0.4628883 -1.3801139 30 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 0.5289421 0.0000000 0.4628883 -1.3801139 31 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 0.5289421 0.0000000 0.4628883 -1.3801139 32 F -1.0218813 0.0000000 0.0000000 0.0000000 -0.9814061 -0.5289421 0.0000000 -0.4628883 -1.3801139 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 14 6 ] 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: 0.67, Number of G-points: 289, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.184 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 15.337 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 15.541 ( 0.000 0.000 0.000) 0.000 15.680 ( 0.000 0.000 0.000) 0.000 15.687 ( 0.000 0.000 0.000) 0.000 15.843 ( 0.000 0.000 0.000) 0.000 15.941 ( 0.000 0.000 0.000) 0.000 16.074 ( 0.000 0.000 0.000) 0.000 16.245 ( 0.000 0.000 0.000) 0.000 16.295 ( 0.000 0.000 0.000) 0.000 16.564 ( 0.000 0.000 0.000) 0.000 16.773 ( 0.000 0.000 0.000) 0.000 18.970 ( 0.000 0.000 0.000) 0.000 19.017 ( 0.000 0.000 0.000) 0.000 19.028 ( 0.000 0.000 0.000) 0.000 19.183 ( 0.000 0.000 0.000) 0.000 33.451 ( 0.000 0.000 0.000) 0.000 33.510 ( 0.000 0.000 0.000) 0.000 34.167 ( 0.000 0.000 0.000) 0.000 34.195 ( 0.000 0.000 0.000) 0.000 35.759 ( 0.000 0.000 0.000) 0.000 35.784 ( 0.000 0.000 0.000) 0.000 36.712 ( 0.000 0.000 0.000) 0.000 36.870 ( 0.000 0.000 0.000) 0.000 42.313 ( 0.000 0.000 0.000) 0.000 42.371 ( 0.000 0.000 0.000) 0.000 42.458 ( 0.000 0.000 0.000) 0.000 42.514 ( 0.000 0.000 0.000) 0.000 42.714 ( 0.000 0.000 0.000) 0.000 42.862 ( 0.000 0.000 0.000) 0.000 43.073 ( 0.000 0.000 0.000) 0.000 43.352 ( 0.000 0.000 0.000) 0.000 43.636 ( 0.000 0.000 0.000) 0.000 43.658 ( 0.000 0.000 0.000) 0.000 43.689 ( 0.000 0.000 0.000) 0.000 43.831 ( 0.000 0.000 0.000) 0.000 48.810 ( 0.000 0.000 0.000) 0.000 49.980 ( 0.000 0.000 0.000) 0.000 50.213 ( 0.000 0.000 0.000) 0.000 50.491 ( 0.000 0.000 0.000) 0.000 50.640 ( 0.000 0.000 0.000) 0.000 51.291 ( 0.000 0.000 0.000) 0.000 51.582 ( 0.000 0.000 0.000) 0.000 51.603 ( 0.000 0.000 0.000) 0.000 51.801 ( 0.000 0.000 0.000) 0.000 52.021 ( 0.000 0.000 0.000) 0.000 54.086 ( 0.000 0.000 0.000) 0.000 56.208 ( 0.000 0.000 0.000) 0.000 91.350 ( 0.000 0.000 0.000) 0.000 91.368 ( 0.000 0.000 0.000) 0.000 91.420 ( 0.000 0.000 0.000) 0.000 91.546 ( 0.000 0.000 0.000) 0.000 91.559 ( 0.000 0.000 0.000) 0.000 91.690 ( 0.000 0.000 0.000) 0.000 91.911 ( 0.000 0.000 0.000) 0.000 91.931 ( 0.000 0.000 0.000) 0.000 92.240 ( 0.000 0.000 0.000) 0.000 93.223 ( 0.000 0.000 0.000) 0.000 93.421 ( 0.000 0.000 0.000) 0.000 94.178 ( 0.000 0.000 0.000) 0.000 94.215 ( 0.000 0.000 0.000) 0.000 94.334 ( 0.000 0.000 0.000) 0.000 94.986 ( 0.000 0.000 0.000) 0.000 95.007 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 15.051 0.000 0.000) 15.051 0.418 ( 20.170 0.000 0.000) 20.170 1.200 ( 56.827 0.000 0.000) 56.827 1.932 ( -11.975 0.000 0.000) 11.975 2.140 ( -6.875 0.000 0.000) 6.875 2.574 ( 5.751 0.000 0.000) 5.751 2.590 ( 4.157 0.000 0.000) 4.157 2.696 ( 4.370 0.000 0.000) 4.370 2.712 ( -8.346 0.000 0.000) 8.346 2.870 ( 1.121 0.000 0.000) 1.121 2.938 ( -2.928 0.000 0.000) 2.928 3.118 ( -2.144 0.000 0.000) 2.144 3.294 ( 11.825 0.000 0.000) 11.825 3.295 ( 5.969 0.000 0.000) 5.969 3.438 ( 11.788 0.000 0.000) 11.788 3.589 ( -2.435 0.000 0.000) 2.435 3.747 ( -4.432 0.000 0.000) 4.432 5.304 ( -17.907 0.000 0.000) 17.907 6.207 ( 0.443 0.000 0.000) 0.443 6.432 ( -5.290 0.000 0.000) 5.290 6.445 ( -6.015 0.000 0.000) 6.015 6.554 ( -3.335 0.000 0.000) 3.335 6.779 ( 7.696 0.000 0.000) 7.696 6.949 ( 5.910 0.000 0.000) 5.910 7.239 ( -0.370 0.000 0.000) 0.370 7.762 ( 0.532 0.000 0.000) 0.532 7.937 ( -2.197 0.000 0.000) 2.197 7.981 ( 1.493 0.000 0.000) 1.493 8.079 ( -11.412 0.000 0.000) 11.412 8.085 ( 0.121 0.000 0.000) 0.121 8.835 ( 13.370 0.000 0.000) 13.370 9.990 ( -6.495 0.000 0.000) 6.495 15.349 ( 1.140 0.000 0.000) 1.140 15.523 ( -1.734 0.000 0.000) 1.734 15.535 ( 0.900 0.000 0.000) 0.900 15.668 ( -1.185 0.000 0.000) 1.185 15.698 ( 1.196 0.000 0.000) 1.196 15.834 ( -0.910 0.000 0.000) 0.910 15.966 ( 2.278 0.000 0.000) 2.278 16.107 ( 3.177 0.000 0.000) 3.177 16.227 ( -1.768 0.000 0.000) 1.768 16.334 ( 3.182 0.000 0.000) 3.182 16.531 ( -3.274 0.000 0.000) 3.274 16.740 ( -3.231 0.000 0.000) 3.231 18.972 ( 0.313 0.000 0.000) 0.313 19.018 ( 0.139 0.000 0.000) 0.139 19.023 ( -0.395 0.000 0.000) 0.395 19.159 ( -2.289 0.000 0.000) 2.289 33.455 ( 0.433 0.000 0.000) 0.433 33.507 ( -0.343 0.000 0.000) 0.343 34.168 ( 0.131 0.000 0.000) 0.131 34.193 ( -0.233 0.000 0.000) 0.233 35.821 ( 3.563 0.000 0.000) 3.563 36.130 ( -1.407 0.000 0.000) 1.407 36.719 ( 0.745 0.000 0.000) 0.745 36.856 ( -1.335 0.000 0.000) 1.335 42.302 ( -0.981 0.000 0.000) 0.981 42.344 ( -2.336 0.000 0.000) 2.336 42.528 ( 6.808 0.000 0.000) 6.808 42.529 ( 1.484 0.000 0.000) 1.484 42.705 ( -0.984 0.000 0.000) 0.984 43.121 ( 4.649 0.000 0.000) 4.649 43.177 ( -0.103 0.000 0.000) 0.103 43.389 ( -2.269 0.000 0.000) 2.269 43.614 ( -2.229 0.000 0.000) 2.229 43.661 ( -3.003 0.000 0.000) 3.003 43.664 ( 0.642 0.000 0.000) 0.642 43.809 ( -2.003 0.000 0.000) 2.003 48.942 ( 12.408 0.000 0.000) 12.408 49.933 ( -4.757 0.000 0.000) 4.757 50.399 ( 18.961 0.000 0.000) 18.961 50.733 ( 8.972 0.000 0.000) 8.972 51.322 ( 3.115 0.000 0.000) 3.115 51.575 ( -2.937 0.000 0.000) 2.937 51.596 ( 1.463 0.000 0.000) 1.463 51.763 ( -3.649 0.000 0.000) 3.649 51.966 ( -5.228 0.000 0.000) 5.228 53.773 ( -30.313 0.000 0.000) 30.313 56.335 ( 12.375 0.000 0.000) 12.375 57.822 ( -10.128 0.000 0.000) 10.128 91.352 ( 0.124 0.000 0.000) 0.124 91.358 ( -0.673 0.000 0.000) 0.673 91.440 ( 1.693 0.000 0.000) 1.693 91.546 ( -0.095 0.000 0.000) 0.095 91.708 ( 1.749 0.000 0.000) 1.749 91.899 ( -1.211 0.000 0.000) 1.211 91.949 ( 1.797 0.000 0.000) 1.797 92.216 ( -2.320 0.000 0.000) 2.320 93.292 ( 6.752 0.000 0.000) 6.752 93.432 ( 1.038 0.000 0.000) 1.038 93.595 ( -1.660 0.000 0.000) 1.660 94.121 ( -5.621 0.000 0.000) 5.621 94.272 ( 5.487 0.000 0.000) 5.487 94.941 ( -4.831 0.000 0.000) 4.831 94.981 ( 0.196 0.000 0.000) 0.196 95.001 ( -0.219 0.000 0.000) 0.219 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 15.670 0.000 0.000) 15.670 0.772 ( 13.476 0.000 0.000) 13.476 1.691 ( -9.802 0.000 0.000) 9.802 1.911 ( -14.103 0.000 0.000) 14.103 2.118 ( 29.271 0.000 0.000) 29.271 2.554 ( -7.186 0.000 0.000) 7.186 2.661 ( 2.551 0.000 0.000) 2.551 2.671 ( 1.740 0.000 0.000) 1.740 2.876 ( 12.794 0.000 0.000) 12.794 2.912 ( 3.052 0.000 0.000) 3.052 3.088 ( -0.111 0.000 0.000) 0.111 3.107 ( 25.420 0.000 0.000) 25.420 3.416 ( 5.926 0.000 0.000) 5.926 3.491 ( -8.330 0.000 0.000) 8.330 3.525 ( 10.172 0.000 0.000) 10.172 3.633 ( -5.945 0.000 0.000) 5.945 3.635 ( 6.696 0.000 0.000) 6.696 4.745 ( -36.990 0.000 0.000) 36.990 6.223 ( 1.191 0.000 0.000) 1.191 6.329 ( -4.510 0.000 0.000) 4.510 6.378 ( -0.297 0.000 0.000) 0.297 6.483 ( -3.707 0.000 0.000) 3.707 6.997 ( 14.321 0.000 0.000) 14.321 7.071 ( 5.734 0.000 0.000) 5.734 7.220 ( -1.686 0.000 0.000) 1.686 7.756 ( -19.718 0.000 0.000) 19.718 7.783 ( 1.614 0.000 0.000) 1.614 7.883 ( -2.944 0.000 0.000) 2.944 8.018 ( 2.047 0.000 0.000) 2.047 8.080 ( -0.717 0.000 0.000) 0.717 9.163 ( 18.007 0.000 0.000) 18.007 9.801 ( -12.190 0.000 0.000) 12.190 15.381 ( 2.031 0.000 0.000) 2.031 15.479 ( -2.526 0.000 0.000) 2.526 15.561 ( 1.612 0.000 0.000) 1.612 15.637 ( -1.876 0.000 0.000) 1.876 15.730 ( 1.934 0.000 0.000) 1.934 15.808 ( -1.639 0.000 0.000) 1.639 16.027 ( 3.648 0.000 0.000) 3.648 16.177 ( -3.198 0.000 0.000) 3.198 16.195 ( 5.493 0.000 0.000) 5.493 16.421 ( 5.283 0.000 0.000) 5.283 16.440 ( -5.620 0.000 0.000) 5.620 16.652 ( -5.352 0.000 0.000) 5.352 18.983 ( 0.765 0.000 0.000) 0.765 19.013 ( -0.600 0.000 0.000) 0.600 19.025 ( 0.649 0.000 0.000) 0.649 19.103 ( -2.998 0.000 0.000) 2.998 33.467 ( 0.721 0.000 0.000) 0.721 33.497 ( -0.630 0.000 0.000) 0.630 34.172 ( 0.277 0.000 0.000) 0.277 34.187 ( -0.379 0.000 0.000) 0.379 35.912 ( 5.092 0.000 0.000) 5.092 36.086 ( -3.000 0.000 0.000) 3.000 36.741 ( 1.500 0.000 0.000) 1.500 36.820 ( -2.087 0.000 0.000) 2.087 42.281 ( -0.945 0.000 0.000) 0.945 42.297 ( -2.026 0.000 0.000) 2.026 42.570 ( 2.487 0.000 0.000) 2.487 42.673 ( -2.137 0.000 0.000) 2.137 42.711 ( 10.856 0.000 0.000) 10.856 43.119 ( -6.552 0.000 0.000) 6.552 43.249 ( 7.769 0.000 0.000) 7.769 43.377 ( 1.981 0.000 0.000) 1.981 43.548 ( -4.340 0.000 0.000) 4.340 43.566 ( -6.399 0.000 0.000) 6.399 43.684 ( 1.343 0.000 0.000) 1.343 43.762 ( -2.452 0.000 0.000) 2.452 49.247 ( 16.504 0.000 0.000) 16.504 49.791 ( -9.479 0.000 0.000) 9.479 50.972 ( 14.091 0.000 0.000) 14.091 50.977 ( 38.513 0.000 0.000) 38.513 51.413 ( 5.945 0.000 0.000) 5.945 51.473 ( -7.793 0.000 0.000) 7.793 51.640 ( 2.914 0.000 0.000) 2.914 51.663 ( -6.173 0.000 0.000) 6.173 51.835 ( -6.978 0.000 0.000) 6.978 52.951 ( -49.414 0.000 0.000) 49.414 56.674 ( 20.626 0.000 0.000) 20.626 57.532 ( -18.357 0.000 0.000) 18.357 91.348 ( -0.228 0.000 0.000) 0.228 91.352 ( -0.131 0.000 0.000) 0.131 91.479 ( 1.999 0.000 0.000) 1.999 91.539 ( -0.726 0.000 0.000) 0.726 91.755 ( 2.759 0.000 0.000) 2.759 91.864 ( -2.237 0.000 0.000) 2.237 92.000 ( 3.249 0.000 0.000) 3.249 92.153 ( -3.755 0.000 0.000) 3.755 93.462 ( 1.885 0.000 0.000) 1.885 93.480 ( 11.487 0.000 0.000) 11.487 93.553 ( -2.385 0.000 0.000) 2.385 93.960 ( -10.245 0.000 0.000) 10.245 94.420 ( 8.968 0.000 0.000) 8.968 94.803 ( -8.571 0.000 0.000) 8.571 94.986 ( 0.294 0.000 0.000) 0.294 94.997 ( -0.194 0.000 0.000) 0.194 ======================= Grid point 3 (4/128) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -6.949 0.000 0.000) 6.949 0.848 ( 6.949 0.000 0.000) 6.949 1.661 ( -8.035 0.000 0.000) 8.035 1.661 ( 8.035 0.000 0.000) 8.035 2.417 ( -7.528 0.000 0.000) 7.528 2.417 ( 7.528 0.000 0.000) 7.528 2.684 ( -0.122 0.000 0.000) 0.122 2.684 ( 0.122 0.000 0.000) 0.122 2.973 ( -2.166 0.000 0.000) 2.166 2.973 ( 2.166 0.000 0.000) 2.166 3.253 ( -14.168 0.000 0.000) 14.168 3.253 ( 14.168 0.000 0.000) 14.168 3.526 ( -5.134 0.000 0.000) 5.134 3.526 ( 5.134 0.000 0.000) 5.134 3.655 ( -0.848 0.000 0.000) 0.848 3.655 ( 0.848 0.000 0.000) 0.848 3.908 ( -43.238 0.000 0.000) 43.238 3.908 ( 43.238 0.000 0.000) 43.238 6.259 ( -2.554 0.000 0.000) 2.554 6.259 ( 2.554 0.000 0.000) 2.554 6.412 ( -3.123 0.000 0.000) 3.123 6.412 ( 3.123 0.000 0.000) 3.123 7.167 ( -3.760 0.000 0.000) 3.760 7.167 ( 3.760 0.000 0.000) 3.760 7.346 ( -20.055 0.000 0.000) 20.055 7.346 ( 20.055 0.000 0.000) 20.055 7.826 ( -2.630 0.000 0.000) 2.630 7.826 ( 2.630 0.000 0.000) 2.630 8.056 ( -1.656 0.000 0.000) 1.656 8.056 ( 1.656 0.000 0.000) 1.656 9.513 ( -16.419 0.000 0.000) 16.419 9.513 ( 16.419 0.000 0.000) 16.419 15.427 ( -2.532 0.000 0.000) 2.532 15.427 ( 2.532 0.000 0.000) 2.532 15.597 ( -1.978 0.000 0.000) 1.978 15.597 ( 1.978 0.000 0.000) 1.978 15.771 ( -2.031 0.000 0.000) 2.031 15.771 ( 2.031 0.000 0.000) 2.031 16.104 ( -3.921 0.000 0.000) 3.921 16.104 ( 3.921 0.000 0.000) 3.921 16.317 ( -6.409 0.000 0.000) 6.409 16.317 ( 6.409 0.000 0.000) 6.409 16.536 ( -6.011 0.000 0.000) 6.011 16.536 ( 6.011 0.000 0.000) 6.011 19.000 ( -0.772 0.000 0.000) 0.772 19.000 ( 0.772 0.000 0.000) 0.772 19.050 ( -2.007 0.000 0.000) 2.007 19.050 ( 2.007 0.000 0.000) 2.007 33.482 ( -0.782 0.000 0.000) 0.782 33.482 ( 0.782 0.000 0.000) 0.782 34.179 ( -0.386 0.000 0.000) 0.386 34.179 ( 0.386 0.000 0.000) 0.386 36.011 ( -4.529 0.000 0.000) 4.529 36.011 ( 4.529 0.000 0.000) 4.529 36.778 ( -2.066 0.000 0.000) 2.066 36.778 ( 2.066 0.000 0.000) 2.066 42.273 ( -0.317 0.000 0.000) 0.317 42.273 ( 0.317 0.000 0.000) 0.317 42.623 ( -2.738 0.000 0.000) 2.738 42.623 ( 2.738 0.000 0.000) 2.738 42.935 ( -10.971 0.000 0.000) 10.971 42.935 ( 10.971 0.000 0.000) 10.971 43.415 ( -8.399 0.000 0.000) 8.399 43.415 ( 8.399 0.000 0.000) 8.399 43.452 ( -4.833 0.000 0.000) 4.833 43.452 ( 4.833 0.000 0.000) 4.833 43.718 ( -1.978 0.000 0.000) 1.978 43.718 ( 1.978 0.000 0.000) 1.978 49.556 ( -13.900 0.000 0.000) 13.900 49.556 ( 13.900 0.000 0.000) 13.900 51.257 ( -13.409 0.000 0.000) 13.409 51.257 ( 13.409 0.000 0.000) 13.409 51.527 ( -7.430 0.000 0.000) 7.430 51.527 ( 7.430 0.000 0.000) 7.430 51.715 ( -4.812 0.000 0.000) 4.812 51.715 ( 4.812 0.000 0.000) 4.812 51.915 ( -51.196 0.000 0.000) 51.196 51.915 ( 51.196 0.000 0.000) 51.196 57.116 ( -22.507 0.000 0.000) 22.507 57.116 ( 22.507 0.000 0.000) 22.507 91.348 ( -0.167 0.000 0.000) 0.167 91.348 ( 0.167 0.000 0.000) 0.167 91.515 ( -1.588 0.000 0.000) 1.588 91.515 ( 1.588 0.000 0.000) 1.588 91.812 ( -2.850 0.000 0.000) 2.850 91.812 ( 2.850 0.000 0.000) 2.850 92.074 ( -4.009 0.000 0.000) 4.009 92.074 ( 4.009 0.000 0.000) 4.009 93.505 ( -2.380 0.000 0.000) 2.380 93.505 ( 2.380 0.000 0.000) 2.380 93.727 ( -12.616 0.000 0.000) 12.616 93.727 ( 12.616 0.000 0.000) 12.616 94.614 ( -10.006 0.000 0.000) 10.006 94.614 ( 10.006 0.000 0.000) 10.006 94.992 ( -0.273 0.000 0.000) 0.273 94.992 ( 0.273 0.000 0.000) 0.273 ======================= Grid point 7 (5/128) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 0.000 20.904 0.000) 20.904 0.686 ( 0.000 34.038 0.000) 34.038 0.927 ( 0.000 44.224 0.000) 44.224 2.168 ( 0.000 8.653 0.000) 8.653 2.217 ( 0.000 2.983 0.000) 2.983 2.508 ( 0.000 1.527 0.000) 1.527 2.634 ( 0.000 1.262 0.000) 1.262 2.674 ( 0.000 3.828 0.000) 3.828 2.837 ( 0.000 0.723 0.000) 0.723 2.882 ( 0.000 1.998 0.000) 1.998 3.049 ( 0.000 2.149 0.000) 2.149 3.109 ( 0.000 -2.519 0.000) 2.519 3.188 ( 0.000 2.416 0.000) 2.416 3.192 ( 0.000 -0.081 0.000) 0.081 3.304 ( 0.000 4.100 0.000) 4.100 3.596 ( 0.000 -1.688 0.000) 1.688 3.800 ( 0.000 0.798 0.000) 0.798 5.488 ( 0.000 1.473 0.000) 1.473 6.282 ( 0.000 -17.039 0.000) 17.039 6.509 ( 0.000 1.020 0.000) 1.020 6.537 ( 0.000 0.467 0.000) 0.467 6.608 ( 0.000 -4.103 0.000) 4.103 6.869 ( 0.000 -0.638 0.000) 0.638 6.886 ( 0.000 13.501 0.000) 13.501 7.172 ( 0.000 -3.399 0.000) 3.399 7.323 ( 0.000 3.738 0.000) 3.738 7.964 ( 0.000 0.403 0.000) 0.403 7.965 ( 0.000 0.086 0.000) 0.086 8.062 ( 0.000 -2.339 0.000) 2.339 8.118 ( 0.000 -6.943 0.000) 6.943 8.612 ( 0.000 -7.644 0.000) 7.644 10.498 ( 0.000 -5.275 0.000) 5.275 15.348 ( 0.000 1.216 0.000) 1.216 15.548 ( 0.000 0.824 0.000) 0.824 15.558 ( 0.000 3.050 0.000) 3.050 15.645 ( 0.000 -3.457 0.000) 3.457 15.724 ( 0.000 3.285 0.000) 3.285 15.809 ( 0.000 -3.396 0.000) 3.396 15.906 ( 0.000 -3.498 0.000) 3.498 16.039 ( 0.000 -3.502 0.000) 3.502 16.207 ( 0.000 -3.790 0.000) 3.790 16.263 ( 0.000 -3.220 0.000) 3.220 16.536 ( 0.000 -2.776 0.000) 2.776 16.744 ( 0.000 -2.950 0.000) 2.950 18.970 ( 0.000 -0.098 0.000) 0.098 19.019 ( 0.000 -0.828 0.000) 0.828 19.026 ( 0.000 1.020 0.000) 1.020 19.162 ( 0.000 -2.013 0.000) 2.013 33.480 ( 0.000 2.850 0.000) 2.850 33.553 ( 0.000 2.404 0.000) 2.404 34.247 ( 0.000 4.999 0.000) 4.999 34.690 ( 0.000 1.411 0.000) 1.411 35.753 ( 0.000 -0.532 0.000) 0.532 35.790 ( 0.000 0.580 0.000) 0.580 36.728 ( 0.000 1.617 0.000) 1.617 37.037 ( 0.000 1.569 0.000) 1.569 42.378 ( 0.000 1.929 0.000) 1.929 42.469 ( 0.000 5.333 0.000) 5.333 42.509 ( 0.000 -0.554 0.000) 0.554 42.548 ( 0.000 7.792 0.000) 7.792 42.772 ( 0.000 5.770 0.000) 5.770 42.888 ( 0.000 2.646 0.000) 2.646 43.100 ( 0.000 2.651 0.000) 2.651 43.378 ( 0.000 2.498 0.000) 2.498 43.616 ( 0.000 -0.640 0.000) 0.640 43.686 ( 0.000 2.763 0.000) 2.763 43.753 ( 0.000 4.756 0.000) 4.756 43.874 ( 0.000 4.407 0.000) 4.407 48.818 ( 0.000 0.810 0.000) 0.810 50.202 ( 0.000 -1.043 0.000) 1.043 50.344 ( 0.000 -3.448 0.000) 3.448 50.468 ( 0.000 -2.210 0.000) 2.210 50.609 ( 0.000 -3.058 0.000) 3.058 51.211 ( 0.000 -7.955 0.000) 7.955 51.524 ( 0.000 -5.771 0.000) 5.771 51.578 ( 0.000 -2.745 0.000) 2.745 51.751 ( 0.000 -7.037 0.000) 7.037 51.957 ( 0.000 -6.213 0.000) 6.213 55.859 ( 0.000 -34.394 0.000) 34.394 56.024 ( 0.000 -33.275 0.000) 33.275 91.348 ( 0.000 -0.148 0.000) 0.148 91.364 ( 0.000 -0.393 0.000) 0.393 91.431 ( 0.000 1.012 0.000) 1.012 91.546 ( 0.000 -0.029 0.000) 0.029 91.558 ( 0.000 -0.069 0.000) 0.069 91.664 ( 0.000 -2.554 0.000) 2.554 91.913 ( 0.000 -1.813 0.000) 1.813 91.980 ( 0.000 -2.389 0.000) 2.389 92.273 ( 0.000 3.281 0.000) 3.281 93.455 ( 0.000 3.191 0.000) 3.191 94.172 ( 0.000 -0.572 0.000) 0.572 94.182 ( 0.000 -3.173 0.000) 3.173 94.327 ( 0.000 -0.738 0.000) 0.738 94.951 ( 0.000 -3.366 0.000) 3.366 94.966 ( 0.000 -3.977 0.000) 3.977 95.400 ( 0.000 0.952 0.000) 0.952 ======================= Grid point 8 (6/128) ======================= q-point: ( 0.17 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 10.041 26.753 0.000) 28.575 0.802 ( 10.494 28.938 0.000) 30.782 1.356 ( 42.690 16.725 0.000) 45.849 2.014 ( -12.187 7.937 0.000) 14.543 2.197 ( -5.671 5.597 0.000) 7.967 2.594 ( 5.423 1.913 0.000) 5.751 2.601 ( 3.014 -0.041 0.000) 3.015 2.723 ( -7.504 1.201 0.000) 7.600 2.732 ( 4.244 4.016 0.000) 5.843 2.894 ( 1.230 2.302 0.000) 2.610 2.995 ( -0.712 5.539 0.000) 5.584 3.130 ( -2.027 1.143 0.000) 2.327 3.262 ( 11.216 -2.981 0.000) 11.605 3.306 ( 6.480 1.358 0.000) 6.621 3.461 ( 10.607 2.030 0.000) 10.799 3.580 ( -1.554 -1.019 0.000) 1.859 3.756 ( -4.517 0.819 0.000) 4.591 5.318 ( -17.825 1.372 0.000) 17.878 6.190 ( -3.526 -7.836 0.000) 8.593 6.414 ( -7.298 -1.074 0.000) 7.376 6.486 ( -3.667 3.229 0.000) 4.886 6.578 ( -2.302 1.109 0.000) 2.555 6.824 ( 2.837 6.299 0.000) 6.908 6.937 ( 5.636 -1.144 0.000) 5.751 7.248 ( 0.325 0.007 0.000) 0.325 7.592 ( 13.318 -8.960 0.000) 16.052 7.913 ( -5.671 -3.002 0.000) 6.417 7.975 ( 1.077 -0.098 0.000) 1.082 8.036 ( -6.232 -3.389 0.000) 7.094 8.074 ( -0.767 -1.358 0.000) 1.559 8.752 ( 13.327 -7.945 0.000) 15.515 10.129 ( -20.701 5.196 0.000) 21.344 15.359 ( 1.088 1.168 0.000) 1.596 15.529 ( -1.722 0.819 0.000) 1.907 15.567 ( 0.891 3.034 0.000) 3.162 15.656 ( 1.011 -3.167 0.000) 3.324 15.709 ( -1.230 2.833 0.000) 3.088 15.800 ( -0.911 -3.396 0.000) 3.516 15.931 ( 2.358 -3.433 0.000) 4.164 16.073 ( 3.277 -3.359 0.000) 4.692 16.190 ( -1.713 -3.734 0.000) 4.108 16.300 ( 3.374 -3.350 0.000) 4.755 16.502 ( -3.314 -2.815 0.000) 4.348 16.711 ( -3.235 -2.951 0.000) 4.379 18.972 ( 0.302 -0.167 0.000) 0.345 19.015 ( -0.301 -0.733 0.000) 0.792 19.016 ( -0.404 0.408 0.000) 0.574 19.139 ( -2.181 -1.896 0.000) 2.890 33.484 ( 0.381 2.799 0.000) 2.825 33.540 ( -0.840 2.835 0.000) 2.957 34.245 ( -0.133 5.082 0.000) 5.083 34.377 ( -10.798 13.934 0.000) 17.628 35.825 ( 3.290 0.314 0.000) 3.305 35.988 ( 7.289 -9.160 0.000) 11.706 36.736 ( 0.834 1.700 0.000) 1.894 36.936 ( -5.077 5.173 0.000) 7.248 42.367 ( -2.641 5.716 0.000) 6.297 42.371 ( -1.095 3.015 0.000) 3.208 42.560 ( 1.958 2.661 0.000) 3.304 42.597 ( 5.446 6.593 0.000) 8.551 42.762 ( -1.013 5.727 0.000) 5.816 43.114 ( 5.496 -0.413 0.000) 5.511 43.196 ( 8.030 1.564 0.000) 8.181 43.357 ( -1.798 -0.074 0.000) 1.800 43.595 ( -2.240 -0.468 0.000) 2.288 43.688 ( 0.367 2.408 0.000) 2.436 43.727 ( -2.656 4.945 0.000) 5.613 43.848 ( -2.388 3.998 0.000) 4.657 48.925 ( 10.155 -1.701 0.000) 10.297 49.889 ( -8.352 -4.230 0.000) 9.362 50.380 ( 17.562 -1.902 0.000) 17.665 50.710 ( 9.841 -2.383 0.000) 10.125 51.243 ( 3.081 -7.966 0.000) 8.541 51.541 ( 1.724 -5.574 0.000) 5.834 51.548 ( -2.667 -3.000 0.000) 4.014 51.657 ( -1.101 -13.165 0.000) 13.211 51.857 ( -4.144 -11.509 0.000) 12.232 52.615 ( 49.006 -70.946 0.000) 86.226 55.970 ( 10.720 -35.871 0.000) 37.439 56.425 ( 28.377 -73.473 0.000) 78.762 91.350 ( 0.104 -0.171 0.000) 0.200 91.355 ( -0.602 -0.264 0.000) 0.657 91.450 ( 1.626 0.886 0.000) 1.852 91.550 ( 0.011 0.329 0.000) 0.329 91.681 ( 1.653 -2.646 0.000) 3.120 91.815 ( 4.171 -8.199 0.000) 9.199 91.932 ( 1.895 -1.708 0.000) 2.551 92.131 ( 5.219 -9.848 0.000) 11.145 92.464 ( 25.896 -13.436 0.000) 29.174 93.452 ( -0.456 1.888 0.000) 1.943 94.131 ( -3.881 0.976 0.000) 4.001 94.220 ( -6.319 9.163 0.000) 11.131 94.244 ( 3.164 -0.772 0.000) 3.257 94.906 ( -4.788 -3.451 0.000) 5.902 94.959 ( -0.374 -4.003 0.000) 4.020 95.139 ( -13.813 9.552 0.000) 16.794 ======================= Grid point 9 (7/128) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 9.730 26.543 0.000) 28.270 1.038 ( 10.938 22.980 0.000) 25.450 1.769 ( -10.292 7.548 0.000) 12.763 1.967 ( -12.248 5.460 0.000) 13.410 2.138 ( 25.186 2.415 0.000) 25.301 2.566 ( -6.485 1.263 0.000) 6.607 2.688 ( 2.074 2.593 0.000) 3.320 2.692 ( 2.192 1.860 0.000) 2.875 2.902 ( 12.804 2.572 0.000) 13.060 2.938 ( 3.103 2.494 0.000) 3.981 3.102 ( -0.110 1.382 0.000) 1.386 3.173 ( 21.286 5.383 0.000) 21.956 3.436 ( 0.827 -4.261 0.000) 4.341 3.450 ( 9.328 4.057 0.000) 10.172 3.556 ( 2.129 1.826 0.000) 2.805 3.631 ( -6.757 -0.240 0.000) 6.762 3.635 ( 5.706 0.247 0.000) 5.711 4.773 ( -35.600 2.801 0.000) 35.710 6.170 ( 0.857 -6.310 0.000) 6.368 6.286 ( -5.065 -3.224 0.000) 6.004 6.442 ( -0.246 5.092 0.000) 5.098 6.525 ( -2.877 3.727 0.000) 4.708 6.966 ( 10.563 -1.696 0.000) 10.698 7.053 ( 5.353 -1.761 0.000) 5.635 7.242 ( -0.452 1.247 0.000) 1.326 7.678 ( -16.934 -6.241 0.000) 18.048 7.755 ( 5.052 -2.430 0.000) 5.606 7.918 ( -4.429 1.949 0.000) 4.839 8.007 ( 1.891 -0.734 0.000) 2.028 8.066 ( -0.681 -1.254 0.000) 1.427 9.083 ( 18.308 -7.763 0.000) 19.886 9.779 ( -16.139 -2.604 0.000) 16.347 15.390 ( 1.957 1.052 0.000) 2.222 15.486 ( -2.491 0.847 0.000) 2.631 15.592 ( 1.574 2.962 0.000) 3.354 15.662 ( -1.244 1.576 0.000) 2.008 15.701 ( 1.254 -2.144 0.000) 2.484 15.774 ( -1.635 -3.390 0.000) 3.764 15.993 ( 3.644 -3.361 0.000) 4.957 16.141 ( -3.115 -3.590 0.000) 4.753 16.163 ( 5.571 -3.172 0.000) 6.411 16.389 ( 5.385 -3.184 0.000) 6.256 16.410 ( -5.685 -2.917 0.000) 6.390 16.622 ( -5.378 -2.974 0.000) 6.145 18.983 ( 0.813 -0.114 0.000) 0.820 19.008 ( -0.416 -0.456 0.000) 0.617 19.015 ( 0.289 -0.634 0.000) 0.697 19.085 ( -2.884 -1.647 0.000) 3.322 33.495 ( 0.662 2.692 0.000) 2.773 33.524 ( -0.750 2.667 0.000) 2.770 34.243 ( -0.066 5.425 0.000) 5.426 34.269 ( -2.289 8.678 0.000) 8.975 35.907 ( 4.545 -0.465 0.000) 4.569 36.037 ( -0.693 -4.336 0.000) 4.391 36.761 ( 1.692 1.954 0.000) 2.585 36.858 ( -3.136 3.444 0.000) 4.658 42.332 ( -1.196 5.010 0.000) 5.150 42.339 ( -1.598 4.301 0.000) 4.589 42.608 ( 2.843 3.583 0.000) 4.574 42.719 ( -0.780 4.568 0.000) 4.634 42.771 ( 8.745 5.944 0.000) 10.574 43.159 ( -4.858 3.925 0.000) 6.245 43.270 ( 4.726 2.033 0.000) 5.144 43.393 ( 5.542 1.818 0.000) 5.833 43.522 ( -5.011 -0.209 0.000) 5.015 43.646 ( -5.450 5.494 0.000) 7.739 43.704 ( 1.288 2.009 0.000) 2.386 43.792 ( -2.930 2.980 0.000) 4.179 49.186 ( 14.808 -6.018 0.000) 15.984 49.715 ( -10.106 -7.534 0.000) 12.605 50.843 ( 23.680 -8.461 0.000) 25.146 51.020 ( 24.252 0.124 0.000) 24.252 51.330 ( 5.560 -8.045 0.000) 9.780 51.444 ( -8.330 -3.308 0.000) 8.963 51.577 ( -5.452 -9.410 0.000) 10.876 51.600 ( 4.792 -4.306 0.000) 6.443 51.718 ( -8.078 -11.039 0.000) 13.679 52.625 ( -29.307 -27.785 0.000) 40.384 56.255 ( 16.647 -40.737 0.000) 44.007 56.729 ( 1.374 -68.017 0.000) 68.031 91.347 ( -0.227 -0.201 0.000) 0.303 91.350 ( -0.140 -0.205 0.000) 0.249 91.487 ( 1.974 0.801 0.000) 2.130 91.545 ( -0.608 0.544 0.000) 0.816 91.725 ( 2.581 -2.901 0.000) 3.883 91.820 ( -1.526 -4.257 0.000) 4.522 91.985 ( 3.307 -1.524 0.000) 3.641 92.125 ( -2.689 -2.877 0.000) 3.938 92.963 ( 20.393 -20.021 0.000) 28.578 93.420 ( -3.530 -3.318 0.000) 4.845 94.037 ( -4.588 6.678 0.000) 8.102 94.059 ( -6.478 19.651 0.000) 20.691 94.390 ( 9.013 -3.169 0.000) 9.554 94.771 ( -8.442 -3.284 0.000) 9.059 94.952 ( -0.331 -4.278 0.000) 4.291 94.982 ( -3.489 0.344 0.000) 3.505 ======================= Grid point 10 (8/128) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.657 22.925 0.000) 22.934 1.112 ( 0.657 22.925 0.000) 22.934 1.727 ( -7.489 6.307 0.000) 9.791 1.727 ( 7.489 6.307 0.000) 9.791 2.431 ( -6.427 1.562 0.000) 6.614 2.431 ( 6.427 1.562 0.000) 6.614 2.707 ( -0.001 2.285 0.000) 2.285 2.707 ( 0.001 2.285 0.000) 2.285 2.999 ( -1.445 2.418 0.000) 2.817 2.999 ( 1.445 2.418 0.000) 2.817 3.264 ( -12.706 0.985 0.000) 12.744 3.264 ( 12.706 0.985 0.000) 12.744 3.489 ( -4.091 -3.300 0.000) 5.256 3.489 ( 4.091 -3.300 0.000) 5.256 3.661 ( -1.762 0.170 0.000) 1.771 3.661 ( 1.762 0.170 0.000) 1.771 3.979 ( -37.559 7.151 0.000) 38.233 3.979 ( 37.559 7.151 0.000) 38.233 6.208 ( -0.597 -4.960 0.000) 4.996 6.208 ( 0.597 -4.960 0.000) 4.996 6.469 ( -2.392 4.993 0.000) 5.536 6.469 ( 2.392 4.993 0.000) 5.536 7.124 ( -0.000 -3.856 0.000) 3.856 7.124 ( 0.000 -3.856 0.000) 3.856 7.335 ( -12.699 -1.060 0.000) 12.743 7.335 ( 12.699 -1.060 0.000) 12.743 7.838 ( -0.579 0.871 0.000) 1.046 7.838 ( 0.579 0.871 0.000) 1.046 8.043 ( -0.316 -1.096 0.000) 1.141 8.043 ( 0.316 -1.096 0.000) 1.141 9.446 ( -17.542 -6.504 0.000) 18.709 9.446 ( 17.542 -6.504 0.000) 18.709 15.435 ( -2.021 0.930 0.000) 2.224 15.435 ( 2.021 0.930 0.000) 2.224 15.627 ( -1.259 2.780 0.000) 3.052 15.627 ( 1.259 2.780 0.000) 3.052 15.737 ( -1.955 -3.315 0.000) 3.849 15.737 ( 1.955 -3.315 0.000) 3.849 16.070 ( -3.829 -3.434 0.000) 5.144 16.070 ( 3.829 -3.434 0.000) 5.144 16.286 ( -6.476 -3.042 0.000) 7.155 16.286 ( 6.476 -3.042 0.000) 7.155 16.506 ( -6.070 -3.048 0.000) 6.792 16.506 ( 6.070 -3.048 0.000) 6.792 18.999 ( -0.154 -0.047 0.000) 0.161 18.999 ( 0.154 -0.047 0.000) 0.161 19.035 ( -1.766 -1.410 0.000) 2.260 19.035 ( 1.766 -1.410 0.000) 2.260 33.509 ( -0.752 2.619 0.000) 2.724 33.509 ( 0.752 2.619 0.000) 2.724 34.246 ( -0.104 6.346 0.000) 6.347 34.246 ( 0.104 6.346 0.000) 6.347 35.991 ( -3.400 -1.833 0.000) 3.862 35.991 ( 3.400 -1.833 0.000) 3.862 36.803 ( -1.657 2.445 0.000) 2.953 36.803 ( 1.657 2.445 0.000) 2.953 42.320 ( -0.007 4.762 0.000) 4.762 42.320 ( 0.007 4.762 0.000) 4.762 42.668 ( -1.823 4.362 0.000) 4.728 42.668 ( 1.823 4.362 0.000) 4.728 42.984 ( -10.680 4.846 0.000) 11.728 42.984 ( 10.680 4.846 0.000) 11.728 43.400 ( -3.243 0.101 0.000) 3.244 43.400 ( 3.243 0.101 0.000) 3.244 43.520 ( -4.128 5.224 0.000) 6.658 43.520 ( 4.128 5.224 0.000) 6.658 43.740 ( -1.376 2.190 0.000) 2.586 43.740 ( 1.376 2.190 0.000) 2.586 49.477 ( -13.573 -7.966 0.000) 15.738 49.477 ( 13.573 -7.966 0.000) 15.738 51.207 ( -11.875 -5.778 0.000) 13.206 51.207 ( 11.875 -5.778 0.000) 13.206 51.454 ( -6.440 -7.814 0.000) 10.125 51.454 ( 6.440 -7.814 0.000) 10.125 51.537 ( -12.983 -13.275 0.000) 18.569 51.537 ( 12.983 -13.275 0.000) 18.569 51.900 ( -33.543 -3.625 0.000) 33.739 51.900 ( 33.543 -3.625 0.000) 33.739 56.578 ( -3.360 -50.646 0.000) 50.758 56.578 ( 3.360 -50.646 0.000) 50.758 91.346 ( -0.036 -0.208 0.000) 0.211 91.346 ( 0.036 -0.208 0.000) 0.211 91.523 ( -0.906 0.714 0.000) 1.153 91.523 ( 0.906 0.714 0.000) 1.153 91.777 ( -1.906 -3.352 0.000) 3.856 91.777 ( 1.906 -3.352 0.000) 3.856 92.058 ( -1.886 -1.646 0.000) 2.503 92.058 ( 1.886 -1.646 0.000) 2.503 93.278 ( -8.131 -12.371 0.000) 14.804 93.278 ( 8.131 -12.371 0.000) 14.804 93.988 ( -0.053 15.522 0.000) 15.522 93.988 ( 0.053 15.522 0.000) 15.522 94.583 ( -4.940 -3.141 0.000) 5.854 94.583 ( 4.940 -3.141 0.000) 5.854 94.950 ( -0.004 -3.677 0.000) 3.677 94.950 ( 0.004 -3.677 0.000) 3.677 ======================= Grid point 14 (9/128) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.000 20.870 0.000) 20.870 1.330 ( 0.000 30.770 0.000) 30.770 1.682 ( 0.000 30.610 0.000) 30.610 2.277 ( 0.000 2.452 0.000) 2.452 2.393 ( 0.000 13.236 0.000) 13.236 2.543 ( 0.000 1.643 0.000) 1.643 2.689 ( 0.000 4.624 0.000) 4.624 2.777 ( 0.000 5.498 0.000) 5.498 2.863 ( 0.000 1.965 0.000) 1.965 2.916 ( 0.000 0.271 0.000) 0.271 3.065 ( 0.000 -0.603 0.000) 0.603 3.116 ( 0.000 4.019 0.000) 4.019 3.218 ( 0.000 2.619 0.000) 2.619 3.308 ( 0.000 12.437 0.000) 12.437 3.388 ( 0.000 4.083 0.000) 4.083 3.535 ( 0.000 -4.720 0.000) 4.720 3.816 ( 0.000 0.621 0.000) 0.621 5.524 ( 0.000 1.909 0.000) 1.909 5.935 ( 0.000 -17.786 0.000) 17.786 6.499 ( 0.000 -6.653 0.000) 6.653 6.536 ( 0.000 -1.109 0.000) 1.109 6.537 ( 0.000 1.712 0.000) 1.712 6.864 ( 0.000 0.654 0.000) 0.654 7.111 ( 0.000 -2.778 0.000) 2.778 7.138 ( 0.000 12.032 0.000) 12.032 7.385 ( 0.000 2.365 0.000) 2.365 7.926 ( 0.000 -11.661 0.000) 11.661 7.969 ( 0.000 -8.399 0.000) 8.399 7.970 ( 0.000 0.414 0.000) 0.414 7.983 ( 0.000 1.765 0.000) 1.765 8.432 ( 0.000 -9.005 0.000) 9.005 10.343 ( 0.000 -10.346 0.000) 10.346 15.388 ( 0.000 2.803 0.000) 2.803 15.548 ( 0.000 -6.159 0.000) 6.159 15.579 ( 0.000 2.432 0.000) 2.432 15.638 ( 0.000 4.859 0.000) 4.859 15.714 ( 0.000 -6.083 0.000) 6.083 15.807 ( 0.000 -6.387 0.000) 6.387 15.808 ( 0.000 4.912 0.000) 4.912 15.942 ( 0.000 -6.133 0.000) 6.133 16.101 ( 0.000 -6.752 0.000) 6.752 16.172 ( 0.000 -5.888 0.000) 5.888 16.459 ( 0.000 -4.938 0.000) 4.938 16.659 ( 0.000 -5.547 0.000) 5.547 18.962 ( 0.000 -0.630 0.000) 0.630 18.999 ( 0.000 -0.992 0.000) 0.992 19.060 ( 0.000 2.318 0.000) 2.318 19.110 ( 0.000 -3.070 0.000) 3.070 33.556 ( 0.000 4.577 0.000) 4.577 33.619 ( 0.000 4.146 0.000) 4.146 34.378 ( 0.000 7.874 0.000) 7.874 34.728 ( 0.000 2.396 0.000) 2.396 35.738 ( 0.000 -0.948 0.000) 0.948 35.806 ( 0.000 1.083 0.000) 1.083 36.775 ( 0.000 3.097 0.000) 3.097 37.081 ( 0.000 2.833 0.000) 2.833 42.469 ( 0.000 7.417 0.000) 7.417 42.489 ( 0.000 -1.522 0.000) 1.522 42.628 ( 0.000 10.695 0.000) 10.695 42.742 ( 0.000 11.584 0.000) 11.584 42.934 ( 0.000 10.298 0.000) 10.298 42.963 ( 0.000 4.729 0.000) 4.729 43.176 ( 0.000 5.040 0.000) 5.040 43.447 ( 0.000 4.341 0.000) 4.341 43.621 ( 0.000 1.072 0.000) 1.072 43.766 ( 0.000 5.300 0.000) 5.300 43.854 ( 0.000 5.400 0.000) 5.400 44.003 ( 0.000 8.328 0.000) 8.328 48.838 ( 0.000 1.120 0.000) 1.120 50.172 ( 0.000 -2.045 0.000) 2.045 50.241 ( 0.000 -7.023 0.000) 7.023 50.411 ( 0.000 -3.308 0.000) 3.308 50.520 ( 0.000 -5.945 0.000) 5.945 50.985 ( 0.000 -14.689 0.000) 14.689 51.359 ( 0.000 -10.640 0.000) 10.640 51.457 ( 0.000 -12.319 0.000) 12.319 51.563 ( 0.000 -10.020 0.000) 10.020 51.800 ( 0.000 -8.697 0.000) 8.697 54.916 ( 0.000 -58.858 0.000) 58.858 55.120 ( 0.000 -55.688 0.000) 55.688 91.345 ( 0.000 -0.176 0.000) 0.176 91.355 ( 0.000 -0.479 0.000) 0.479 91.453 ( 0.000 0.985 0.000) 0.985 91.545 ( 0.000 -0.076 0.000) 0.076 91.556 ( 0.000 -0.098 0.000) 0.098 91.599 ( 0.000 -3.705 0.000) 3.705 91.860 ( 0.000 -3.408 0.000) 3.408 91.918 ( 0.000 -3.702 0.000) 3.702 92.365 ( 0.000 5.945 0.000) 5.945 93.535 ( 0.000 4.599 0.000) 4.599 94.097 ( 0.000 -5.228 0.000) 5.228 94.157 ( 0.000 -0.824 0.000) 0.824 94.306 ( 0.000 -1.349 0.000) 1.349 94.856 ( 0.000 -6.471 0.000) 6.471 94.863 ( 0.000 -5.748 0.000) 5.748 95.408 ( 0.000 -0.537 0.000) 0.537 ======================= Grid point 15 (10/128) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 21.312 16.154 0.000) 26.742 1.389 ( 5.698 28.946 0.000) 29.502 1.793 ( 13.932 22.819 0.000) 26.736 2.215 ( -12.397 11.456 0.000) 16.880 2.348 ( -0.412 9.014 0.000) 9.023 2.587 ( 0.204 -0.649 0.000) 0.681 2.641 ( 3.931 2.531 0.000) 4.675 2.763 ( -4.673 2.993 0.000) 5.550 2.839 ( 3.594 5.681 0.000) 6.722 2.952 ( 1.934 3.283 0.000) 3.810 3.128 ( 1.874 5.008 0.000) 5.348 3.177 ( -1.709 5.103 0.000) 5.381 3.192 ( 9.306 -3.537 0.000) 9.955 3.392 ( 6.795 9.487 0.000) 11.670 3.512 ( 9.328 3.567 0.000) 9.987 3.537 ( 0.416 -3.600 0.000) 3.624 3.773 ( -4.479 0.786 0.000) 4.547 5.354 ( -17.241 2.079 0.000) 17.366 5.934 ( 0.522 -15.770 0.000) 15.779 6.382 ( -9.623 -2.468 0.000) 9.935 6.530 ( 2.459 -5.099 0.000) 5.661 6.568 ( -0.461 4.896 0.000) 4.917 6.908 ( 4.228 -1.599 0.000) 4.520 6.990 ( -3.985 7.741 0.000) 8.706 7.231 ( 1.939 -0.453 0.000) 1.991 7.513 ( 10.544 -0.300 0.000) 10.548 7.794 ( -10.091 -8.588 0.000) 13.251 7.963 ( -0.853 -5.247 0.000) 5.316 7.978 ( 0.816 0.386 0.000) 0.903 8.045 ( 1.736 -0.643 0.000) 1.851 8.552 ( 12.292 -11.040 0.000) 16.522 10.108 ( -19.741 -6.330 0.000) 20.730 15.398 ( 0.984 2.743 0.000) 2.914 15.558 ( -0.577 -1.387 0.000) 1.503 15.564 ( 0.088 -2.383 0.000) 2.385 15.646 ( 0.754 4.698 0.000) 4.758 15.705 ( -0.877 -6.014 0.000) 6.077 15.780 ( -1.904 3.107 0.000) 3.644 15.838 ( 2.441 -5.237 0.000) 5.778 15.982 ( 3.670 -5.433 0.000) 6.557 16.085 ( -1.561 -6.650 0.000) 6.830 16.208 ( 3.454 -5.822 0.000) 6.770 16.424 ( -3.398 -4.978 0.000) 6.027 16.626 ( -3.235 -5.539 0.000) 6.415 18.963 ( 0.083 -0.758 0.000) 0.762 18.999 ( -0.029 -0.811 0.000) 0.812 19.043 ( -1.286 2.142 0.000) 2.499 19.090 ( -1.886 -2.879 0.000) 3.441 33.559 ( 0.289 4.538 0.000) 4.547 33.611 ( -0.701 4.295 0.000) 4.351 34.379 ( 0.067 7.966 0.000) 7.967 34.594 ( -8.876 8.209 0.000) 12.090 35.834 ( 2.605 0.671 0.000) 2.690 35.851 ( 7.178 -4.838 0.000) 8.656 36.785 ( 1.029 3.200 0.000) 3.362 37.026 ( -4.359 4.196 0.000) 6.051 42.476 ( 0.216 7.796 0.000) 7.799 42.489 ( -0.565 4.958 0.000) 4.990 42.636 ( 1.816 6.346 0.000) 6.601 42.773 ( 3.657 10.880 0.000) 11.478 42.923 ( -1.111 10.200 0.000) 10.260 43.125 ( 9.907 2.016 0.000) 10.110 43.249 ( 8.176 4.055 0.000) 9.127 43.418 ( -3.069 5.316 0.000) 6.138 43.606 ( -1.749 1.445 0.000) 2.269 43.759 ( -0.439 4.690 0.000) 4.711 43.832 ( -2.263 5.448 0.000) 5.899 43.967 ( -3.436 7.772 0.000) 8.498 48.879 ( 4.449 -2.744 0.000) 5.227 49.777 ( -16.628 -6.820 0.000) 17.972 50.326 ( 14.106 -3.501 0.000) 14.534 50.638 ( 11.952 -4.830 0.000) 12.891 51.017 ( 3.197 -14.547 0.000) 14.894 51.134 ( 19.252 -29.203 0.000) 34.978 51.380 ( 2.183 -10.472 0.000) 10.697 51.457 ( -0.858 -7.927 0.000) 7.973 51.595 ( 0.473 -13.256 0.000) 13.264 51.884 ( 16.188 -16.567 0.000) 23.163 54.994 ( 7.363 -60.509 0.000) 60.956 55.151 ( 4.378 -62.331 0.000) 62.484 91.346 ( 0.058 -0.205 0.000) 0.213 91.348 ( -0.465 -0.382 0.000) 0.602 91.469 ( 1.456 0.846 0.000) 1.684 91.556 ( 0.200 0.231 0.000) 0.306 91.614 ( 1.455 -3.800 0.000) 4.069 91.664 ( 6.310 -5.688 0.000) 8.495 91.882 ( 2.136 -3.255 0.000) 3.893 91.979 ( 5.643 -5.435 0.000) 7.835 92.441 ( 9.117 4.095 0.000) 9.994 93.498 ( -3.991 2.544 0.000) 4.733 94.151 ( 5.231 -5.564 0.000) 7.637 94.156 ( 0.162 1.516 0.000) 1.525 94.305 ( -0.242 0.271 0.000) 0.363 94.808 ( -4.693 -6.286 0.000) 7.845 94.856 ( -0.610 -5.991 0.000) 6.022 95.260 ( -12.496 2.935 0.000) 12.836 ======================= Grid point 16 (11/128) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 9.774 22.547 0.000) 24.574 1.544 ( 9.011 25.972 0.000) 27.491 1.965 ( -11.576 11.614 0.000) 16.398 2.118 ( -6.284 9.705 0.000) 11.562 2.230 ( 12.730 7.085 0.000) 14.569 2.607 ( -4.892 2.947 0.000) 5.711 2.734 ( 5.391 2.356 0.000) 5.884 2.756 ( 1.417 4.051 0.000) 4.292 2.966 ( 10.885 3.395 0.000) 11.402 3.003 ( 3.051 3.850 0.000) 4.912 3.140 ( 0.211 2.369 0.000) 2.379 3.252 ( 8.127 1.931 0.000) 8.353 3.335 ( 3.064 -5.779 0.000) 6.541 3.574 ( 3.928 -0.599 0.000) 3.974 3.585 ( 11.804 5.443 0.000) 12.998 3.630 ( -9.843 0.542 0.000) 9.858 3.690 ( 10.613 9.852 0.000) 14.481 4.853 ( -31.575 5.119 0.000) 31.988 5.973 ( 3.406 -12.848 0.000) 13.292 6.200 ( -8.024 -5.687 0.000) 9.835 6.565 ( 0.473 7.098 0.000) 7.114 6.573 ( 1.418 -0.129 0.000) 1.424 6.975 ( 2.442 2.869 0.000) 3.768 7.001 ( 4.248 -3.522 0.000) 5.518 7.247 ( 0.486 -0.709 0.000) 0.860 7.545 ( -13.951 -6.769 0.000) 15.507 7.708 ( 8.210 -1.877 0.000) 8.422 7.922 ( -3.178 -2.165 0.000) 3.846 8.000 ( 1.374 0.214 0.000) 1.390 8.049 ( -0.667 0.202 0.000) 0.697 8.880 ( 18.956 -12.050 0.000) 22.462 9.686 ( -21.171 -7.008 0.000) 22.301 15.426 ( 1.806 2.592 0.000) 3.159 15.517 ( -2.429 2.282 0.000) 3.333 15.595 ( 1.980 -5.966 0.000) 6.286 15.663 ( 0.271 1.376 0.000) 1.403 15.684 ( -0.550 -2.981 0.000) 3.032 15.740 ( -1.938 3.430 0.000) 3.939 15.900 ( 3.590 -5.776 0.000) 6.801 16.040 ( -2.876 -6.380 0.000) 6.998 16.077 ( 5.713 -5.185 0.000) 7.715 16.300 ( 5.545 -5.669 0.000) 7.930 16.329 ( -5.819 -5.080 0.000) 7.725 16.537 ( -5.413 -5.534 0.000) 7.741 18.970 ( 0.779 -1.138 0.000) 1.379 18.999 ( 0.093 -0.304 0.000) 0.318 19.020 ( -0.903 1.228 0.000) 1.524 19.044 ( -2.489 -2.415 0.000) 3.468 33.567 ( 0.555 4.452 0.000) 4.486 33.596 ( -0.803 4.371 0.000) 4.444 34.384 ( 0.503 8.300 0.000) 8.315 34.461 ( -4.413 9.762 0.000) 10.713 35.897 ( 3.241 -0.486 0.000) 3.277 35.945 ( 2.151 -4.408 0.000) 4.905 36.816 ( 2.085 3.498 0.000) 4.072 36.939 ( -4.047 4.484 0.000) 6.040 42.468 ( -0.797 8.683 0.000) 8.719 42.470 ( -1.006 8.558 0.000) 8.617 42.698 ( 4.012 5.413 0.000) 6.738 42.848 ( -0.744 8.276 0.000) 8.309 42.936 ( 6.650 10.514 0.000) 12.440 43.263 ( 2.359 5.931 0.000) 6.383 43.328 ( -2.679 4.240 0.000) 5.016 43.458 ( 10.296 4.862 0.000) 11.387 43.544 ( -4.534 2.246 0.000) 5.060 43.762 ( 0.992 3.767 0.000) 3.895 43.764 ( -4.642 6.137 0.000) 7.695 43.880 ( -4.700 5.926 0.000) 7.563 49.023 ( 9.817 -9.844 0.000) 13.902 49.504 ( -12.544 -13.283 0.000) 18.270 50.654 ( 17.049 -10.358 0.000) 19.949 50.986 ( 20.935 -3.387 0.000) 21.207 51.111 ( 6.356 -13.614 0.000) 15.024 51.179 ( -6.364 -24.168 0.000) 24.991 51.398 ( -5.111 -5.815 0.000) 7.742 51.461 ( 7.032 -9.748 0.000) 12.020 51.484 ( -8.326 -12.126 0.000) 14.709 52.091 ( -5.920 -23.542 0.000) 24.275 55.175 ( 9.627 -65.241 0.000) 65.947 55.286 ( 6.575 -73.379 0.000) 73.673 91.341 ( -0.195 -0.296 0.000) 0.354 91.345 ( -0.169 -0.249 0.000) 0.301 91.504 ( 1.853 0.645 0.000) 1.962 91.555 ( -0.403 0.376 0.000) 0.551 91.652 ( 2.175 -4.098 0.000) 4.639 91.716 ( -0.034 -5.638 0.000) 5.638 91.940 ( 3.470 -2.975 0.000) 4.570 92.047 ( 0.160 -4.592 0.000) 4.594 92.744 ( 18.794 -3.714 0.000) 19.158 93.362 ( -9.868 -2.057 0.000) 10.080 94.176 ( 1.999 6.476 0.000) 6.778 94.284 ( 0.067 1.790 0.000) 1.792 94.299 ( 7.100 -2.949 0.000) 7.689 94.676 ( -8.286 -6.120 0.000) 10.301 94.847 ( 0.033 -5.782 0.000) 5.782 95.014 ( -10.317 2.335 0.000) 10.578 ======================= Grid point 17 (12/128) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.863 25.637 0.000) 25.652 1.616 ( 0.863 25.637 0.000) 25.652 1.890 ( -6.050 9.837 0.000) 11.549 1.890 ( 6.050 9.837 0.000) 11.549 2.485 ( -6.729 3.985 0.000) 7.821 2.485 ( 6.729 3.985 0.000) 7.821 2.770 ( -0.000 3.917 0.000) 3.917 2.770 ( 0.000 3.917 0.000) 3.917 3.058 ( -0.646 3.303 0.000) 3.365 3.058 ( 0.646 3.303 0.000) 3.365 3.280 ( -6.490 0.114 0.000) 6.491 3.280 ( 6.490 0.114 0.000) 6.491 3.416 ( -6.923 -3.431 0.000) 7.727 3.416 ( 6.923 -3.431 0.000) 7.727 3.656 ( -0.511 -0.629 0.000) 0.810 3.656 ( 0.511 -0.629 0.000) 0.810 4.176 ( -29.766 12.187 0.000) 32.164 4.176 ( 29.766 12.187 0.000) 32.164 6.064 ( -1.252 -9.441 0.000) 9.524 6.064 ( 1.252 -9.441 0.000) 9.524 6.579 ( -0.116 5.368 0.000) 5.369 6.579 ( 0.116 5.368 0.000) 5.369 7.040 ( -0.139 -3.910 0.000) 3.912 7.040 ( 0.139 -3.910 0.000) 3.912 7.307 ( -3.868 -1.724 0.000) 4.235 7.307 ( 3.868 -1.724 0.000) 4.235 7.839 ( -0.748 -1.187 0.000) 1.403 7.839 ( 0.748 -1.187 0.000) 1.403 8.029 ( -0.270 0.047 0.000) 0.274 8.029 ( 0.270 0.047 0.000) 0.274 9.274 ( -20.068 -10.416 0.000) 22.610 9.274 ( 20.068 -10.416 0.000) 22.610 15.468 ( -1.503 2.418 0.000) 2.847 15.468 ( 1.503 2.418 0.000) 2.847 15.636 ( -1.984 -5.636 0.000) 5.975 15.636 ( 1.984 -5.636 0.000) 5.975 15.704 ( -0.760 3.569 0.000) 3.649 15.704 ( 0.760 3.569 0.000) 3.649 15.974 ( -3.547 -6.053 0.000) 7.016 15.974 ( 3.547 -6.053 0.000) 7.016 16.203 ( -6.571 -5.170 0.000) 8.361 16.203 ( 6.571 -5.170 0.000) 8.361 16.419 ( -6.169 -5.566 0.000) 8.309 16.419 ( 6.169 -5.566 0.000) 8.309 18.995 ( -0.378 -1.138 0.000) 1.200 18.995 ( 0.378 -1.138 0.000) 1.200 19.008 ( -0.000 -0.264 0.000) 0.264 19.008 ( 0.000 -0.264 0.000) 0.264 33.580 ( -0.730 4.387 0.000) 4.447 33.580 ( 0.730 4.387 0.000) 4.447 34.404 ( -0.700 8.973 0.000) 9.001 34.404 ( 0.700 8.973 0.000) 9.001 35.948 ( -1.300 -2.266 0.000) 2.613 35.948 ( 1.300 -2.266 0.000) 2.613 36.868 ( -2.052 3.967 0.000) 4.466 36.868 ( 2.052 3.967 0.000) 4.466 42.458 ( -0.000 9.038 0.000) 9.038 42.458 ( 0.000 9.038 0.000) 9.038 42.783 ( -1.797 6.963 0.000) 7.191 42.783 ( 1.797 6.963 0.000) 7.191 43.123 ( -9.759 9.078 0.000) 13.328 43.123 ( 9.759 9.078 0.000) 13.328 43.429 ( -3.267 2.738 0.000) 4.262 43.429 ( 3.267 2.738 0.000) 4.262 43.639 ( -6.025 6.597 0.000) 8.935 43.639 ( 6.025 6.597 0.000) 8.935 43.801 ( -1.549 3.950 0.000) 4.243 43.801 ( 1.549 3.950 0.000) 4.243 49.253 ( -11.578 -14.129 0.000) 18.267 49.253 ( 11.578 -14.129 0.000) 18.267 50.970 ( -10.373 -17.713 0.000) 20.527 50.970 ( 10.373 -17.713 0.000) 20.527 51.250 ( -8.133 -10.366 0.000) 13.175 51.250 ( 8.133 -10.366 0.000) 13.175 51.324 ( -7.559 -9.190 0.000) 11.899 51.324 ( 7.559 -9.190 0.000) 11.899 51.751 ( -21.528 -11.168 0.000) 24.253 51.751 ( 21.528 -11.168 0.000) 24.253 55.321 ( -0.183 -71.656 0.000) 71.656 55.321 ( 0.183 -71.656 0.000) 71.656 91.341 ( -0.046 -0.270 0.000) 0.274 91.341 ( 0.046 -0.270 0.000) 0.274 91.537 ( -0.587 0.498 0.000) 0.770 91.537 ( 0.587 0.498 0.000) 0.770 91.694 ( -0.789 -4.693 0.000) 4.758 91.694 ( 0.789 -4.693 0.000) 4.758 92.010 ( -0.906 -3.099 0.000) 3.228 92.010 ( 0.906 -3.099 0.000) 3.228 93.102 ( -14.797 -5.307 0.000) 15.720 93.102 ( 14.797 -5.307 0.000) 15.720 94.232 ( -3.090 8.483 0.000) 9.028 94.232 ( 3.090 8.483 0.000) 9.028 94.490 ( -3.912 -6.016 0.000) 7.176 94.490 ( 3.912 -6.016 0.000) 7.176 94.877 ( -0.264 -3.133 0.000) 3.145 94.877 ( 0.264 -3.133 0.000) 3.145 ======================= Grid point 21 (13/128) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 20.540 0.000) 20.540 1.877 ( 0.000 23.533 0.000) 23.533 2.130 ( 0.000 16.311 0.000) 16.311 2.305 ( 0.000 0.721 0.000) 0.721 2.554 ( 0.000 -0.895 0.000) 0.895 2.658 ( 0.000 12.766 0.000) 12.766 2.810 ( 0.000 6.874 0.000) 6.874 2.846 ( 0.000 1.365 0.000) 1.365 2.891 ( 0.000 -0.931 0.000) 0.931 2.919 ( 0.000 3.892 0.000) 3.892 3.107 ( 0.000 3.811 0.000) 3.811 3.179 ( 0.000 2.434 0.000) 2.434 3.287 ( 0.000 3.985 0.000) 3.985 3.404 ( 0.000 -8.396 0.000) 8.396 3.462 ( 0.000 3.594 0.000) 3.594 3.721 ( 0.000 26.250 0.000) 26.250 3.822 ( 0.000 0.019 0.000) 0.019 5.550 ( 0.000 0.163 0.000) 0.163 5.604 ( 0.000 -14.420 0.000) 14.420 6.357 ( 0.000 -7.451 0.000) 7.451 6.477 ( 0.000 -4.620 0.000) 4.620 6.572 ( 0.000 1.738 0.000) 1.738 6.915 ( 0.000 4.542 0.000) 4.542 7.063 ( 0.000 -2.004 0.000) 2.004 7.365 ( 0.000 11.013 0.000) 11.013 7.411 ( 0.000 0.129 0.000) 0.129 7.658 ( 0.000 -16.114 0.000) 16.114 7.734 ( 0.000 -13.400 0.000) 13.400 7.983 ( 0.000 0.997 0.000) 0.997 8.038 ( 0.000 3.742 0.000) 3.742 8.302 ( 0.000 -4.151 0.000) 4.151 10.092 ( 0.000 -15.010 0.000) 15.010 15.410 ( 0.000 -7.566 0.000) 7.566 15.458 ( 0.000 4.199 0.000) 4.199 15.577 ( 0.000 -7.498 0.000) 7.498 15.643 ( 0.000 3.881 0.000) 3.881 15.662 ( 0.000 -8.104 0.000) 8.104 15.741 ( 0.000 5.311 0.000) 5.311 15.806 ( 0.000 -7.324 0.000) 7.324 15.910 ( 0.000 5.169 0.000) 5.169 15.949 ( 0.000 -8.329 0.000) 8.329 16.037 ( 0.000 -7.507 0.000) 7.507 16.348 ( 0.000 -6.109 0.000) 6.109 16.531 ( 0.000 -7.286 0.000) 7.286 18.946 ( 0.000 -1.044 0.000) 1.044 18.983 ( 0.000 -0.585 0.000) 0.585 19.049 ( 0.000 -2.894 0.000) 2.894 19.115 ( 0.000 3.200 0.000) 3.200 33.651 ( 0.000 4.852 0.000) 4.852 33.710 ( 0.000 4.877 0.000) 4.877 34.540 ( 0.000 8.103 0.000) 8.103 34.780 ( 0.000 2.665 0.000) 2.665 35.717 ( 0.000 -1.165 0.000) 1.165 35.831 ( 0.000 1.416 0.000) 1.416 36.847 ( 0.000 4.172 0.000) 4.172 37.145 ( 0.000 3.537 0.000) 3.537 42.447 ( 0.000 -2.674 0.000) 2.674 42.669 ( 0.000 12.684 0.000) 12.684 42.889 ( 0.000 15.582 0.000) 15.582 42.997 ( 0.000 14.112 0.000) 14.112 43.069 ( 0.000 5.819 0.000) 5.819 43.165 ( 0.000 12.686 0.000) 12.686 43.293 ( 0.000 6.613 0.000) 6.613 43.542 ( 0.000 5.146 0.000) 5.146 43.651 ( 0.000 1.699 0.000) 1.699 43.892 ( 0.000 7.371 0.000) 7.371 43.965 ( 0.000 5.738 0.000) 5.738 44.187 ( 0.000 9.970 0.000) 9.970 48.859 ( 0.000 0.985 0.000) 0.985 50.061 ( 0.000 -11.654 0.000) 11.654 50.120 ( 0.000 -3.370 0.000) 3.370 50.347 ( 0.000 -2.955 0.000) 2.955 50.376 ( 0.000 -8.600 0.000) 8.600 50.648 ( 0.000 -18.749 0.000) 18.749 51.053 ( 0.000 -27.011 0.000) 27.011 51.116 ( 0.000 -13.668 0.000) 13.668 51.370 ( 0.000 -10.761 0.000) 10.761 51.650 ( 0.000 -6.074 0.000) 6.074 53.633 ( 0.000 -68.431 0.000) 68.431 53.942 ( 0.000 -60.262 0.000) 60.262 91.342 ( 0.000 -0.064 0.000) 0.064 91.348 ( 0.000 -0.170 0.000) 0.170 91.462 ( 0.000 -0.194 0.000) 0.194 91.527 ( 0.000 -3.285 0.000) 3.285 91.543 ( 0.000 -0.107 0.000) 0.107 91.554 ( 0.000 -0.102 0.000) 0.102 91.782 ( 0.000 -4.358 0.000) 4.358 91.841 ( 0.000 -4.035 0.000) 4.035 92.503 ( 0.000 7.874 0.000) 7.874 93.624 ( 0.000 4.096 0.000) 4.096 93.983 ( 0.000 -6.214 0.000) 6.214 94.142 ( 0.000 -0.591 0.000) 0.591 94.275 ( 0.000 -1.721 0.000) 1.721 94.713 ( 0.000 -7.595 0.000) 7.595 94.744 ( 0.000 -6.180 0.000) 6.180 95.367 ( 0.000 -3.722 0.000) 3.722 ======================= Grid point 22 (14/128) ======================= q-point: ( 0.17 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 18.586 15.713 0.000) 24.338 1.903 ( 2.637 21.850 0.000) 22.008 2.163 ( 5.214 14.963 0.000) 15.846 2.426 ( -9.633 8.520 0.000) 12.860 2.482 ( 14.617 2.461 0.000) 14.823 2.625 ( -11.342 5.576 0.000) 12.639 2.687 ( 1.093 2.754 0.000) 2.963 2.847 ( -1.797 5.370 0.000) 5.663 2.926 ( 3.067 3.024 0.000) 4.307 3.007 ( 4.867 2.005 0.000) 5.264 3.154 ( 4.155 0.525 0.000) 4.188 3.185 ( 0.433 2.252 0.000) 2.294 3.282 ( -0.491 4.824 0.000) 4.849 3.435 ( 3.330 -6.542 0.000) 7.341 3.534 ( 5.360 2.603 0.000) 5.958 3.783 ( -4.145 0.226 0.000) 4.152 3.788 ( 7.085 23.169 0.000) 24.228 5.388 ( -15.758 0.816 0.000) 15.779 5.627 ( 2.497 -13.641 0.000) 13.867 6.312 ( -11.883 -4.359 0.000) 12.657 6.406 ( 4.504 -6.978 0.000) 8.305 6.663 ( 4.852 4.023 0.000) 6.303 6.890 ( -0.951 0.284 0.000) 0.993 7.062 ( -0.250 0.019 0.000) 0.251 7.282 ( -3.816 4.733 0.000) 6.080 7.536 ( 7.797 2.490 0.000) 8.185 7.606 ( -7.333 -9.808 0.000) 12.246 7.781 ( 4.739 -12.935 0.000) 13.775 7.992 ( 0.816 1.019 0.000) 1.306 8.065 ( 1.737 2.468 0.000) 3.018 8.369 ( 7.965 -6.769 0.000) 10.453 9.911 ( -16.662 -13.029 0.000) 21.151 15.423 ( 1.294 -7.551 0.000) 7.661 15.466 ( 0.840 4.087 0.000) 4.172 15.568 ( -0.922 -7.453 0.000) 7.509 15.619 ( -1.855 3.222 0.000) 3.718 15.688 ( 2.189 -7.460 0.000) 7.775 15.746 ( 0.470 5.007 0.000) 5.029 15.812 ( 0.428 -4.580 0.000) 4.600 15.921 ( 1.548 1.979 0.000) 2.513 15.936 ( -1.288 -8.119 0.000) 8.221 16.078 ( 3.769 -6.938 0.000) 7.895 16.313 ( -3.419 -6.077 0.000) 6.972 16.498 ( -3.195 -7.249 0.000) 7.922 18.944 ( -0.115 -1.100 0.000) 1.106 18.987 ( 0.365 -0.383 0.000) 0.529 19.033 ( -1.506 -2.682 0.000) 3.076 19.095 ( -1.727 3.085 0.000) 3.535 33.654 ( 0.264 4.868 0.000) 4.875 33.704 ( -0.578 4.934 0.000) 4.967 34.542 ( 0.211 8.148 0.000) 8.151 34.722 ( -4.626 5.110 0.000) 6.893 35.781 ( 5.074 -2.616 0.000) 5.708 35.851 ( 1.790 1.005 0.000) 2.053 36.859 ( 1.193 4.230 0.000) 4.395 37.108 ( -3.336 4.093 0.000) 5.280 42.523 ( 6.212 -0.703 0.000) 6.251 42.679 ( 0.524 12.536 0.000) 12.547 42.842 ( -2.395 13.569 0.000) 13.778 43.017 ( 2.240 13.584 0.000) 13.768 43.152 ( -1.243 12.583 0.000) 12.644 43.197 ( 9.382 5.121 0.000) 10.689 43.352 ( 6.109 6.196 0.000) 8.701 43.541 ( -0.319 6.739 0.000) 6.747 43.644 ( -0.872 2.233 0.000) 2.398 43.872 ( -1.640 6.760 0.000) 6.956 43.941 ( -2.335 5.523 0.000) 5.996 44.140 ( -4.580 9.356 0.000) 10.417 48.824 ( -2.239 -2.677 0.000) 3.490 49.623 ( -23.629 -9.061 0.000) 25.306 50.241 ( 9.692 -5.311 0.000) 11.052 50.518 ( 14.474 -7.392 0.000) 16.253 50.674 ( 9.261 -18.751 0.000) 20.914 50.687 ( 4.026 -18.059 0.000) 18.503 51.138 ( 2.279 -13.721 0.000) 13.909 51.170 ( 9.884 -21.478 0.000) 23.643 51.344 ( -2.833 -12.125 0.000) 12.452 51.651 ( 1.633 -8.179 0.000) 8.341 53.685 ( 4.892 -69.292 0.000) 69.465 53.912 ( -2.189 -61.557 0.000) 61.596 91.343 ( -0.375 -0.135 0.000) 0.398 91.343 ( 0.021 -0.080 0.000) 0.083 91.475 ( 1.177 -0.418 0.000) 1.249 91.542 ( 1.371 -3.234 0.000) 3.513 91.557 ( 0.160 -0.211 0.000) 0.265 91.586 ( 2.801 -2.599 0.000) 3.821 91.807 ( 2.400 -4.222 0.000) 4.857 91.886 ( 4.134 -4.315 0.000) 5.976 92.556 ( 5.782 7.050 0.000) 9.118 93.547 ( -7.373 2.336 0.000) 7.734 94.029 ( 4.532 -6.590 0.000) 7.998 94.185 ( 3.862 1.266 0.000) 4.065 94.289 ( 1.362 -1.421 0.000) 1.969 94.669 ( -4.430 -7.444 0.000) 8.663 94.734 ( -0.677 -6.157 0.000) 6.194 95.267 ( -9.279 -1.990 0.000) 9.490 ======================= Grid point 23 (15/128) ======================= q-point: ( 0.33 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 12.604 13.677 0.000) 18.599 1.984 ( 5.372 16.333 0.000) 17.194 2.225 ( -9.780 15.136 0.000) 18.021 2.337 ( 2.259 11.661 0.000) 11.878 2.402 ( -0.939 9.418 0.000) 9.465 2.680 ( -2.092 4.369 0.000) 4.844 2.788 ( 9.978 3.133 0.000) 10.458 2.836 ( 0.529 3.448 0.000) 3.488 3.015 ( 8.520 1.066 0.000) 8.587 3.082 ( 2.850 3.886 0.000) 4.819 3.193 ( 0.967 2.885 0.000) 3.043 3.228 ( 2.498 -3.988 0.000) 4.706 3.277 ( 0.088 1.743 0.000) 1.745 3.536 ( 5.775 -2.833 0.000) 6.432 3.624 ( 3.228 0.848 0.000) 3.337 3.644 ( -9.714 0.605 0.000) 9.733 4.012 ( 15.623 18.194 0.000) 23.982 4.958 ( -25.917 4.683 0.000) 26.336 5.712 ( 6.000 -11.922 0.000) 13.347 6.070 ( -11.548 -6.711 0.000) 13.357 6.518 ( 6.392 -4.799 0.000) 7.993 6.712 ( -0.654 7.269 0.000) 7.298 6.917 ( 3.550 -4.831 0.000) 5.995 7.047 ( -1.422 3.120 0.000) 3.429 7.234 ( -0.766 0.074 0.000) 0.770 7.422 ( -9.673 -5.590 0.000) 11.172 7.687 ( 6.843 -0.233 0.000) 6.847 7.834 ( 0.169 -6.283 0.000) 6.285 8.015 ( 1.433 1.148 0.000) 1.836 8.074 ( -0.837 1.893 0.000) 2.070 8.641 ( 18.197 -11.316 0.000) 21.428 9.502 ( -22.655 -11.435 0.000) 25.378 15.458 ( 2.011 -7.495 0.000) 7.760 15.490 ( 1.481 3.536 0.000) 3.834 15.542 ( -1.575 -7.087 0.000) 7.260 15.576 ( -2.309 3.457 0.000) 4.157 15.738 ( 2.362 -6.167 0.000) 6.603 15.757 ( 0.581 3.846 0.000) 3.890 15.820 ( 0.594 -0.868 0.000) 1.052 15.900 ( -2.310 -7.333 0.000) 7.688 15.983 ( 4.580 -3.220 0.000) 5.599 16.174 ( 5.623 -6.706 0.000) 8.751 16.218 ( -5.793 -5.929 0.000) 8.289 16.410 ( -5.344 -7.122 0.000) 8.904 18.945 ( 0.343 -1.341 0.000) 1.384 18.992 ( -1.167 -1.825 0.000) 2.166 19.003 ( 0.072 -0.130 0.000) 0.148 19.057 ( -1.915 2.400 0.000) 3.070 33.662 ( 0.530 4.906 0.000) 4.935 33.690 ( -0.783 4.979 0.000) 5.041 34.551 ( 0.799 8.250 0.000) 8.289 34.634 ( -3.729 7.548 0.000) 8.419 35.872 ( 3.417 -2.975 0.000) 4.531 35.890 ( 1.785 -0.113 0.000) 1.789 36.895 ( 2.382 4.386 0.000) 4.991 37.030 ( -4.084 4.604 0.000) 6.154 42.633 ( 3.584 6.465 0.000) 7.392 42.678 ( -0.488 12.419 0.000) 12.428 42.837 ( 2.581 9.684 0.000) 10.022 43.036 ( -2.977 10.465 0.000) 10.880 43.174 ( 5.857 13.193 0.000) 14.434 43.365 ( 7.405 4.649 0.000) 8.743 43.456 ( -2.015 8.061 0.000) 8.309 43.581 ( 8.614 7.441 0.000) 11.383 43.604 ( -3.440 3.625 0.000) 4.997 43.851 ( 0.135 5.193 0.000) 5.195 43.879 ( -3.730 5.468 0.000) 6.619 44.017 ( -7.208 7.579 0.000) 10.459 48.823 ( 2.997 -9.708 0.000) 10.160 49.223 ( -16.576 -14.312 0.000) 21.900 50.436 ( 9.256 -12.009 0.000) 15.162 50.702 ( -3.240 -22.507 0.000) 22.739 50.808 ( 8.781 -15.372 0.000) 17.703 50.902 ( 19.922 -5.777 0.000) 20.742 51.219 ( 6.933 -14.504 0.000) 16.076 51.230 ( -8.841 -13.227 0.000) 15.909 51.246 ( -1.789 -11.073 0.000) 11.216 51.691 ( -2.505 -16.947 0.000) 17.131 53.801 ( 5.864 -71.093 0.000) 71.334 53.892 ( 0.291 -66.944 0.000) 66.945 91.337 ( -0.154 -0.094 0.000) 0.181 91.342 ( -0.188 -0.089 0.000) 0.208 91.504 ( 1.614 -0.819 0.000) 1.809 91.555 ( -0.511 -0.615 0.000) 0.799 91.576 ( 1.866 -3.232 0.000) 3.732 91.617 ( 0.385 -3.947 0.000) 3.966 91.870 ( 3.659 -3.985 0.000) 5.410 91.955 ( 1.519 -4.636 0.000) 4.879 92.752 ( 13.624 3.442 0.000) 14.052 93.344 ( -12.644 0.171 0.000) 12.646 94.156 ( 7.881 -7.427 0.000) 10.829 94.271 ( 3.866 2.693 0.000) 4.712 94.325 ( 2.063 -0.267 0.000) 2.080 94.543 ( -7.809 -6.738 0.000) 10.314 94.737 ( 1.662 -5.217 0.000) 5.475 95.042 ( -12.038 -0.027 0.000) 12.038 ======================= Grid point 24 (16/128) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -6.393 10.484 0.000) 12.279 1.997 ( 6.393 10.484 0.000) 12.279 2.165 ( -1.694 19.142 0.000) 19.217 2.165 ( 1.694 19.142 0.000) 19.217 2.589 ( -7.058 6.355 0.000) 9.497 2.589 ( 7.058 6.355 0.000) 9.498 2.850 ( -0.008 3.477 0.000) 3.477 2.850 ( 0.008 3.477 0.000) 3.477 3.121 ( -0.051 2.911 0.000) 2.912 3.121 ( 0.051 2.911 0.000) 2.912 3.254 ( 0.000 -1.716 0.000) 1.716 3.254 ( 0.000 -1.716 0.000) 1.716 3.383 ( -11.328 0.174 0.000) 11.329 3.383 ( 11.328 0.174 0.000) 11.329 3.637 ( -0.286 -1.273 0.000) 1.305 3.637 ( 0.286 -1.273 0.000) 1.305 4.426 ( -23.784 11.820 0.000) 26.559 4.426 ( 23.784 11.820 0.000) 26.559 5.863 ( -3.272 -9.583 0.000) 10.126 5.863 ( 3.272 -9.583 0.000) 10.126 6.644 ( -4.161 0.264 0.000) 4.170 6.644 ( 4.161 0.264 0.000) 4.170 6.997 ( -1.837 0.023 0.000) 1.838 6.997 ( 1.837 0.023 0.000) 1.838 7.270 ( -1.355 -1.906 0.000) 2.339 7.270 ( 1.355 -1.906 0.000) 2.339 7.796 ( -0.497 -2.754 0.000) 2.799 7.796 ( 0.497 -2.754 0.000) 2.799 8.046 ( -0.705 1.497 0.000) 1.654 8.046 ( 0.705 1.497 0.000) 1.654 9.050 ( -21.525 -11.973 0.000) 24.630 9.050 ( 21.525 -11.973 0.000) 24.630 15.498 ( -0.872 -6.643 0.000) 6.700 15.498 ( 0.872 -6.643 0.000) 6.700 15.533 ( -1.762 2.844 0.000) 3.345 15.533 ( 1.762 2.844 0.000) 3.345 15.764 ( -0.008 0.336 0.000) 0.336 15.764 ( 0.008 0.336 0.000) 0.336 15.850 ( -1.518 -4.821 0.000) 5.055 15.850 ( 1.518 -4.821 0.000) 5.055 16.094 ( -6.032 -5.352 0.000) 8.064 16.094 ( 6.032 -5.352 0.000) 8.064 16.294 ( -6.097 -6.899 0.000) 9.207 16.294 ( 6.097 -6.899 0.000) 9.207 18.961 ( -0.282 -1.803 0.000) 1.825 18.961 ( 0.282 -1.803 0.000) 1.825 19.023 ( -0.775 1.357 0.000) 1.562 19.023 ( 0.775 1.357 0.000) 1.562 33.674 ( -0.620 4.954 0.000) 4.993 33.674 ( 0.620 4.954 0.000) 4.993 34.578 ( -0.808 8.238 0.000) 8.277 34.578 ( 0.808 8.238 0.000) 8.277 35.908 ( -0.165 -1.654 0.000) 1.662 35.908 ( 0.165 -1.654 0.000) 1.662 36.954 ( -2.674 4.578 0.000) 5.302 36.954 ( 2.674 4.578 0.000) 5.302 42.667 ( -0.119 11.592 0.000) 11.593 42.667 ( 0.119 11.592 0.000) 11.593 42.934 ( -2.345 8.258 0.000) 8.585 42.934 ( 2.345 8.258 0.000) 8.585 43.331 ( -7.989 11.550 0.000) 14.043 43.331 ( 7.989 11.550 0.000) 14.043 43.505 ( -4.011 4.896 0.000) 6.329 43.505 ( 4.011 4.896 0.000) 6.329 43.771 ( -6.805 6.434 0.000) 9.365 43.771 ( 6.805 6.434 0.000) 9.365 43.891 ( -2.515 5.022 0.000) 5.617 43.891 ( 2.515 5.022 0.000) 5.617 48.955 ( -7.704 -14.846 0.000) 16.726 48.955 ( 7.704 -14.846 0.000) 16.726 50.598 ( -6.740 -18.925 0.000) 20.090 50.598 ( 6.740 -18.925 0.000) 20.090 51.016 ( -8.519 -12.999 0.000) 15.542 51.016 ( 8.519 -12.999 0.000) 15.542 51.165 ( -4.121 -7.918 0.000) 8.926 51.165 ( 4.121 -7.918 0.000) 8.926 51.479 ( -16.011 -15.585 0.000) 22.344 51.479 ( 16.011 -15.585 0.000) 22.344 53.885 ( -0.077 -71.332 0.000) 71.332 53.885 ( 0.077 -71.332 0.000) 71.332 91.337 ( -0.166 -0.083 0.000) 0.186 91.337 ( 0.166 -0.083 0.000) 0.186 91.535 ( -0.735 -0.946 0.000) 1.198 91.535 ( 0.735 -0.946 0.000) 1.198 91.608 ( -0.324 -3.547 0.000) 3.562 91.608 ( 0.324 -3.547 0.000) 3.562 91.938 ( -0.592 -4.054 0.000) 4.097 91.938 ( 0.592 -4.054 0.000) 4.097 93.056 ( -15.591 0.253 0.000) 15.594 93.056 ( 15.591 0.253 0.000) 15.594 94.295 ( -1.701 -3.586 0.000) 3.969 94.295 ( 1.701 -3.586 0.000) 3.969 94.386 ( -1.511 -2.157 0.000) 2.634 94.386 ( 1.511 -2.157 0.000) 2.634 94.831 ( -1.781 -1.746 0.000) 2.494 94.831 ( 1.781 -1.746 0.000) 2.494 ======================= Grid point 28 (17/128) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.000 19.523 0.000) 19.523 2.179 ( 0.000 4.197 0.000) 4.197 2.320 ( 0.000 1.123 0.000) 1.123 2.397 ( 0.000 11.986 0.000) 11.986 2.532 ( 0.000 0.660 0.000) 0.660 2.848 ( 0.000 -0.688 0.000) 0.688 2.853 ( 0.000 6.115 0.000) 6.115 2.926 ( 0.000 4.184 0.000) 4.184 2.930 ( 0.000 3.974 0.000) 3.974 3.035 ( 0.000 8.189 0.000) 8.189 3.163 ( 0.000 -1.163 0.000) 1.163 3.219 ( 0.000 1.726 0.000) 1.726 3.253 ( 0.000 -2.053 0.000) 2.053 3.351 ( 0.000 1.770 0.000) 1.770 3.547 ( 0.000 5.486 0.000) 5.486 3.829 ( 0.000 1.211 0.000) 1.211 4.139 ( 0.000 10.362 0.000) 10.362 5.467 ( 0.000 4.206 0.000) 4.206 5.499 ( 0.000 -6.160 0.000) 6.160 6.213 ( 0.000 -6.888 0.000) 6.888 6.391 ( 0.000 -2.933 0.000) 2.933 6.596 ( 0.000 0.231 0.000) 0.231 7.027 ( 0.000 6.288 0.000) 6.288 7.035 ( 0.000 -0.712 0.000) 0.712 7.295 ( 0.000 -19.030 0.000) 19.030 7.390 ( 0.000 -2.222 0.000) 2.222 7.508 ( 0.000 -9.275 0.000) 9.275 7.576 ( 0.000 10.448 0.000) 10.448 8.008 ( 0.000 1.459 0.000) 1.459 8.126 ( 0.000 4.988 0.000) 4.988 8.247 ( 0.000 -1.937 0.000) 1.937 9.755 ( 0.000 -18.963 0.000) 18.963 15.259 ( 0.000 -7.459 0.000) 7.459 15.428 ( 0.000 -7.367 0.000) 7.367 15.497 ( 0.000 -8.226 0.000) 8.226 15.549 ( 0.000 4.831 0.000) 4.831 15.663 ( 0.000 -6.938 0.000) 6.938 15.727 ( 0.000 4.509 0.000) 4.509 15.783 ( 0.000 -8.295 0.000) 8.295 15.841 ( 0.000 4.628 0.000) 4.628 15.884 ( 0.000 -7.741 0.000) 7.741 16.006 ( 0.000 4.420 0.000) 4.420 16.225 ( 0.000 -6.118 0.000) 6.118 16.380 ( 0.000 -7.674 0.000) 7.674 18.923 ( 0.000 -1.220 0.000) 1.220 18.970 ( 0.000 -1.118 0.000) 1.118 19.007 ( 0.000 -0.920 0.000) 0.920 19.182 ( 0.000 3.432 0.000) 3.432 33.740 ( 0.000 4.047 0.000) 4.047 33.806 ( 0.000 4.606 0.000) 4.606 34.687 ( 0.000 6.555 0.000) 6.555 34.829 ( 0.000 2.215 0.000) 2.215 35.694 ( 0.000 -1.151 0.000) 1.151 35.860 ( 0.000 1.481 0.000) 1.481 36.934 ( 0.000 4.491 0.000) 4.491 37.216 ( 0.000 3.537 0.000) 3.537 42.386 ( 0.000 -3.385 0.000) 3.385 42.956 ( 0.000 15.801 0.000) 15.801 43.185 ( 0.000 5.733 0.000) 5.733 43.233 ( 0.000 18.865 0.000) 18.865 43.291 ( 0.000 15.348 0.000) 15.348 43.418 ( 0.000 12.416 0.000) 12.416 43.429 ( 0.000 6.905 0.000) 6.905 43.643 ( 0.000 4.831 0.000) 4.831 43.683 ( 0.000 1.502 0.000) 1.502 44.051 ( 0.000 8.522 0.000) 8.522 44.076 ( 0.000 5.279 0.000) 5.279 44.383 ( 0.000 9.544 0.000) 9.544 48.877 ( 0.000 0.774 0.000) 0.774 49.744 ( 0.000 -22.296 0.000) 22.296 50.016 ( 0.000 -8.624 0.000) 8.624 50.180 ( 0.000 -11.551 0.000) 11.551 50.290 ( 0.000 -15.094 0.000) 15.094 50.301 ( 0.000 -1.727 0.000) 1.727 50.449 ( 0.000 -31.249 0.000) 31.249 50.834 ( 0.000 -14.641 0.000) 14.641 51.150 ( 0.000 -10.668 0.000) 10.668 51.551 ( 0.000 -4.248 0.000) 4.248 52.314 ( 0.000 -62.462 0.000) 62.462 52.854 ( 0.000 -47.827 0.000) 47.827 91.343 ( 0.000 0.096 0.000) 0.096 91.349 ( 0.000 0.321 0.000) 0.321 91.440 ( 0.000 -1.892 0.000) 1.892 91.478 ( 0.000 -1.752 0.000) 1.752 91.541 ( 0.000 -0.072 0.000) 0.072 91.552 ( 0.000 -0.118 0.000) 0.118 91.694 ( 0.000 -4.410 0.000) 4.410 91.763 ( 0.000 -3.745 0.000) 3.745 92.671 ( 0.000 8.943 0.000) 8.943 93.691 ( 0.000 2.681 0.000) 2.681 93.856 ( 0.000 -6.535 0.000) 6.535 94.137 ( 0.000 0.093 0.000) 0.093 94.240 ( 0.000 -1.769 0.000) 1.769 94.566 ( 0.000 -7.164 0.000) 7.164 94.627 ( 0.000 -5.535 0.000) 5.535 95.265 ( 0.000 -6.306 0.000) 6.306 ======================= Grid point 29 (18/128) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 12.594 15.858 0.000) 20.251 2.186 ( 0.370 5.331 0.000) 5.344 2.422 ( 3.936 11.923 0.000) 12.556 2.494 ( -2.372 -0.641 0.000) 2.457 2.497 ( 15.064 0.647 0.000) 15.078 2.732 ( -7.639 3.843 0.000) 8.551 2.819 ( -0.587 9.714 0.000) 9.732 2.942 ( -5.542 3.360 0.000) 6.481 2.961 ( 1.082 0.552 0.000) 1.215 3.060 ( 6.850 4.157 0.000) 8.012 3.204 ( 1.346 3.443 0.000) 3.697 3.224 ( 0.537 1.690 0.000) 1.773 3.310 ( 6.525 -4.209 0.000) 7.765 3.380 ( 1.122 4.555 0.000) 4.691 3.579 ( 3.090 2.639 0.000) 4.064 3.793 ( -3.818 1.359 0.000) 4.053 4.157 ( 2.511 9.082 0.000) 9.422 5.353 ( -13.844 -5.272 0.000) 14.814 5.497 ( 3.012 3.646 0.000) 4.729 6.240 ( -12.139 -1.939 0.000) 12.293 6.267 ( 5.162 -6.780 0.000) 8.522 6.696 ( 7.726 -1.019 0.000) 7.793 6.924 ( -6.613 2.394 0.000) 7.033 7.048 ( 1.209 -0.625 0.000) 1.361 7.340 ( -4.060 0.324 0.000) 4.073 7.417 ( 0.271 -9.731 0.000) 9.735 7.514 ( 7.386 -11.464 0.000) 13.638 7.627 ( 4.081 6.870 0.000) 7.991 8.017 ( 0.889 1.500 0.000) 1.744 8.130 ( 0.040 3.768 0.000) 3.769 8.280 ( 4.139 -2.746 0.000) 4.967 9.606 ( -14.128 -17.582 0.000) 22.556 15.273 ( 1.313 -7.452 0.000) 7.567 15.418 ( -0.982 -7.350 0.000) 7.415 15.523 ( 2.439 -8.051 0.000) 8.413 15.556 ( 0.712 4.670 0.000) 4.724 15.679 ( 0.724 -4.066 0.000) 4.130 15.708 ( -0.585 1.010 0.000) 1.167 15.766 ( -1.574 -7.545 0.000) 7.707 15.846 ( 0.368 3.588 0.000) 3.607 15.916 ( 2.532 -5.724 0.000) 6.259 16.015 ( 1.184 2.966 0.000) 3.194 16.192 ( -3.144 -5.846 0.000) 6.638 16.349 ( -3.061 -7.584 0.000) 8.179 18.920 ( -0.193 -1.235 0.000) 1.250 18.970 ( -0.308 -1.717 0.000) 1.745 19.002 ( -0.096 0.016 0.000) 0.097 19.160 ( -2.028 3.323 0.000) 3.893 33.744 ( 0.345 4.114 0.000) 4.129 33.800 ( -0.539 4.614 0.000) 4.646 34.689 ( 0.234 6.544 0.000) 6.548 34.804 ( -2.132 3.302 0.000) 3.931 35.740 ( 4.036 -1.624 0.000) 4.351 35.873 ( 1.077 1.159 0.000) 1.582 36.947 ( 1.240 4.484 0.000) 4.652 37.187 ( -2.742 3.814 0.000) 4.697 42.487 ( 9.229 -2.580 0.000) 9.583 42.958 ( -0.057 15.265 0.000) 15.265 43.127 ( -2.990 13.691 0.000) 14.013 43.299 ( 0.652 14.661 0.000) 14.675 43.329 ( 6.503 8.813 0.000) 10.952 43.404 ( -1.067 12.617 0.000) 12.662 43.483 ( 5.325 6.741 0.000) 8.591 43.673 ( 2.762 6.484 0.000) 7.048 43.687 ( 0.354 2.082 0.000) 2.112 44.022 ( -2.698 8.228 0.000) 8.659 44.045 ( -2.864 4.865 0.000) 5.646 44.322 ( -5.880 8.800 0.000) 10.584 48.781 ( -7.416 -1.489 0.000) 7.564 49.392 ( -24.327 -15.534 0.000) 28.863 50.086 ( 4.132 -12.028 0.000) 12.718 50.326 ( -0.868 -18.316 0.000) 18.337 50.342 ( 12.856 -11.111 0.000) 16.992 50.361 ( 10.588 -12.192 0.000) 16.148 50.698 ( 16.983 -22.738 0.000) 28.380 50.853 ( 1.902 -14.804 0.000) 14.926 51.109 ( -4.204 -11.127 0.000) 11.895 51.529 ( -2.245 -4.879 0.000) 5.371 52.357 ( 4.118 -62.587 0.000) 62.722 52.801 ( -4.875 -49.090 0.000) 49.332 91.343 ( 0.017 0.092 0.000) 0.094 91.344 ( -0.364 0.303 0.000) 0.474 91.448 ( 0.790 -2.025 0.000) 2.174 91.494 ( 1.512 -1.717 0.000) 2.288 91.539 ( -0.467 -1.322 0.000) 1.402 91.559 ( 0.714 -0.415 0.000) 0.826 91.721 ( 2.589 -4.325 0.000) 5.040 91.806 ( 3.633 -3.770 0.000) 5.236 92.710 ( 4.239 8.415 0.000) 9.422 93.590 ( -9.043 2.022 0.000) 9.266 93.896 ( 3.929 -6.795 0.000) 7.849 94.202 ( 5.061 0.342 0.000) 5.073 94.257 ( 1.658 -1.736 0.000) 2.401 94.527 ( -3.701 -6.643 0.000) 7.604 94.619 ( -0.386 -5.385 0.000) 5.399 95.193 ( -6.942 -5.164 0.000) 8.652 ======================= Grid point 30 (19/128) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 9.376 9.849 0.000) 13.599 2.178 ( -1.190 4.779 0.000) 4.925 2.477 ( 0.446 5.931 0.000) 5.948 2.549 ( 8.889 8.620 0.000) 12.382 2.575 ( -5.781 8.626 0.000) 10.384 2.804 ( -1.787 9.272 0.000) 9.443 2.843 ( 9.753 1.600 0.000) 9.883 2.860 ( -2.035 -0.850 0.000) 2.206 3.004 ( 8.396 -1.613 0.000) 8.549 3.155 ( 2.614 3.933 0.000) 4.723 3.229 ( 2.029 4.269 0.000) 4.727 3.243 ( 1.818 2.201 0.000) 2.855 3.362 ( -2.640 6.875 0.000) 7.365 3.475 ( 8.502 -3.069 0.000) 9.039 3.632 ( 1.162 -0.140 0.000) 1.171 3.662 ( -9.647 1.839 0.000) 9.820 4.277 ( 10.268 5.629 0.000) 11.710 4.991 ( -21.051 -2.479 0.000) 21.196 5.591 ( 6.530 2.113 0.000) 6.863 5.982 ( -12.630 -0.936 0.000) 12.665 6.406 ( 8.345 -6.149 0.000) 10.366 6.764 ( -7.072 -5.189 0.000) 8.771 6.882 ( 7.506 4.099 0.000) 8.552 7.074 ( 0.735 0.007 0.000) 0.735 7.255 ( -3.801 1.229 0.000) 3.994 7.326 ( -5.555 -4.069 0.000) 6.886 7.694 ( 6.435 -7.209 0.000) 9.663 7.708 ( 3.572 2.754 0.000) 4.511 8.043 ( 1.637 1.619 0.000) 2.302 8.116 ( -1.444 2.263 0.000) 2.684 8.453 ( 13.718 -7.497 0.000) 15.633 9.239 ( -21.279 -15.050 0.000) 26.063 15.308 ( 2.056 -7.432 0.000) 7.711 15.390 ( -1.738 -7.358 0.000) 7.561 15.576 ( 1.326 4.287 0.000) 4.487 15.586 ( 3.629 -7.488 0.000) 8.321 15.649 ( -2.166 2.846 0.000) 3.576 15.723 ( -2.702 -7.158 0.000) 7.650 15.755 ( 3.714 -5.049 0.000) 6.268 15.848 ( -0.321 1.858 0.000) 1.885 15.962 ( 2.054 -1.376 0.000) 2.473 16.066 ( 3.961 -2.520 0.000) 4.695 16.108 ( -4.920 -4.759 0.000) 6.845 16.266 ( -4.948 -7.159 0.000) 8.703 18.918 ( 0.090 -1.327 0.000) 1.330 18.951 ( -1.353 -1.925 0.000) 2.353 19.017 ( 1.510 1.129 0.000) 1.885 19.110 ( -2.754 2.820 0.000) 3.942 33.754 ( 0.649 4.278 0.000) 4.327 33.786 ( -0.819 4.582 0.000) 4.654 34.698 ( 0.723 6.436 0.000) 6.476 34.758 ( -2.262 5.004 0.000) 5.492 35.826 ( 3.994 -1.720 0.000) 4.349 35.892 ( 0.561 0.292 0.000) 0.633 36.984 ( 2.459 4.465 0.000) 5.097 37.118 ( -3.819 4.225 0.000) 5.695 42.704 ( 11.220 1.381 0.000) 11.305 42.944 ( -1.448 13.999 0.000) 14.074 43.086 ( -0.776 14.434 0.000) 14.455 43.251 ( -6.008 11.041 0.000) 12.569 43.443 ( 5.356 13.588 0.000) 14.605 43.461 ( 6.347 5.125 0.000) 8.157 43.615 ( 5.638 7.648 0.000) 9.501 43.682 ( -1.432 4.272 0.000) 4.505 43.741 ( 4.567 8.287 0.000) 9.462 43.967 ( -1.794 6.543 0.000) 6.785 43.976 ( -3.675 4.182 0.000) 5.568 44.164 ( -9.390 6.970 0.000) 11.694 48.664 ( -2.899 -5.976 0.000) 6.643 48.954 ( -18.010 -13.016 0.000) 22.221 50.159 ( 3.510 -16.242 0.000) 16.617 50.288 ( -2.601 -19.880 0.000) 20.049 50.532 ( 11.088 -11.691 0.000) 16.113 50.770 ( 22.224 -8.055 0.000) 23.638 50.906 ( 3.564 -16.437 0.000) 16.819 50.926 ( 5.249 -20.469 0.000) 21.131 50.979 ( -8.794 -11.686 0.000) 14.625 51.445 ( -7.283 -8.280 0.000) 11.027 52.462 ( 5.891 -62.230 0.000) 62.508 52.687 ( -5.839 -53.727 0.000) 54.043 91.339 ( -0.158 0.273 0.000) 0.315 91.342 ( -0.150 0.134 0.000) 0.201 91.470 ( 1.277 -2.288 0.000) 2.620 91.523 ( -1.124 -2.279 0.000) 2.541 91.531 ( 1.899 -1.642 0.000) 2.510 91.571 ( 0.185 -1.117 0.000) 1.132 91.788 ( 3.764 -4.216 0.000) 5.652 91.867 ( 1.533 -4.275 0.000) 4.542 92.853 ( 10.123 6.328 0.000) 11.938 93.366 ( -12.828 1.953 0.000) 12.976 94.009 ( 7.180 -7.410 0.000) 10.318 94.265 ( -0.710 -3.414 0.000) 3.487 94.303 ( 2.884 -1.584 0.000) 3.290 94.438 ( -4.357 -3.484 0.000) 5.579 94.646 ( 4.230 -3.873 0.000) 5.735 95.010 ( -10.656 -2.949 0.000) 11.056 ======================= Grid point 31 (20/128) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -2.580 5.124 0.000) 5.737 2.139 ( 2.580 5.124 0.000) 5.737 2.497 ( -0.161 12.306 0.000) 12.307 2.497 ( 0.161 12.306 0.000) 12.307 2.725 ( -7.039 7.265 0.000) 10.116 2.725 ( 7.039 7.265 0.000) 10.116 2.857 ( -0.197 -3.223 0.000) 3.229 2.857 ( 0.197 -3.223 0.000) 3.229 3.173 ( -0.388 2.578 0.000) 2.607 3.173 ( 0.388 2.578 0.000) 2.607 3.290 ( -3.291 6.033 0.000) 6.873 3.290 ( 3.291 6.033 0.000) 6.873 3.410 ( -12.486 2.478 0.000) 12.730 3.410 ( 12.486 2.478 0.000) 12.730 3.605 ( -0.611 -1.810 0.000) 1.911 3.605 ( 0.611 -1.810 0.000) 1.911 4.575 ( -18.870 1.540 0.000) 18.933 4.575 ( 18.870 1.540 0.000) 18.933 5.756 ( -9.671 0.350 0.000) 9.677 5.756 ( 9.671 0.350 0.000) 9.677 6.588 ( -8.518 -5.155 0.000) 9.956 6.588 ( 8.518 -5.155 0.000) 9.956 7.028 ( -4.364 2.041 0.000) 4.818 7.028 ( 4.364 2.041 0.000) 4.818 7.238 ( -0.398 -1.109 0.000) 1.178 7.238 ( 0.398 -1.109 0.000) 1.178 7.751 ( -0.002 -1.330 0.000) 1.330 7.751 ( 0.002 -1.330 0.000) 1.330 8.080 ( -1.570 1.808 0.000) 2.394 8.080 ( 1.570 1.808 0.000) 2.394 8.808 ( -19.688 -12.376 0.000) 23.255 8.808 ( 19.688 -12.376 0.000) 23.255 15.350 ( -1.689 -7.397 0.000) 7.588 15.350 ( 1.689 -7.397 0.000) 7.588 15.608 ( -1.438 3.842 0.000) 4.103 15.608 ( 1.438 3.842 0.000) 4.103 15.660 ( -2.966 -7.409 0.000) 7.981 15.660 ( 2.966 -7.409 0.000) 7.981 15.823 ( -1.761 -1.686 0.000) 2.438 15.823 ( 1.761 -1.686 0.000) 2.438 16.016 ( -3.159 -2.085 0.000) 3.785 16.016 ( 3.159 -2.085 0.000) 3.785 16.161 ( -5.276 -5.904 0.000) 7.918 16.161 ( 5.276 -5.904 0.000) 7.918 18.927 ( -0.120 -1.566 0.000) 1.571 18.927 ( 0.120 -1.566 0.000) 1.571 19.057 ( -1.319 1.969 0.000) 2.370 19.057 ( 1.319 1.969 0.000) 2.370 33.769 ( -0.650 4.458 0.000) 4.506 33.769 ( 0.650 4.458 0.000) 4.506 34.720 ( -0.544 6.025 0.000) 6.050 34.720 ( 0.544 6.025 0.000) 6.050 35.884 ( -1.617 -0.849 0.000) 1.827 35.884 ( 1.617 -0.849 0.000) 1.827 37.044 ( -3.155 4.414 0.000) 5.425 37.044 ( 3.155 4.414 0.000) 5.425 42.883 ( -4.962 9.323 0.000) 10.562 42.883 ( 4.962 9.323 0.000) 10.562 43.122 ( -1.637 11.275 0.000) 11.393 43.122 ( 1.637 11.275 0.000) 11.393 43.542 ( -0.767 8.095 0.000) 8.131 43.542 ( 0.767 8.095 0.000) 8.131 43.639 ( -0.340 9.748 0.000) 9.753 43.639 ( 0.340 9.748 0.000) 9.753 43.884 ( -6.018 4.773 0.000) 7.681 43.884 ( 6.018 4.773 0.000) 7.681 43.994 ( -3.866 5.227 0.000) 6.501 43.994 ( 3.866 5.227 0.000) 6.501 48.701 ( -4.334 -10.372 0.000) 11.241 48.701 ( 4.334 -10.372 0.000) 11.241 50.228 ( -2.332 -18.642 0.000) 18.787 50.228 ( 2.332 -18.642 0.000) 18.787 50.768 ( -9.577 -11.541 0.000) 14.997 50.768 ( 9.577 -11.541 0.000) 14.997 50.948 ( -0.440 -15.607 0.000) 15.613 50.948 ( 0.440 -15.607 0.000) 15.613 51.197 ( -14.130 -10.955 0.000) 17.879 51.197 ( 14.130 -10.955 0.000) 17.879 52.577 ( -0.953 -59.498 0.000) 59.505 52.577 ( 0.953 -59.498 0.000) 59.505 91.339 ( -0.046 0.215 0.000) 0.220 91.339 ( 0.046 0.215 0.000) 0.220 91.497 ( -1.332 -2.481 0.000) 2.816 91.497 ( 1.332 -2.481 0.000) 2.816 91.562 ( -0.499 -1.465 0.000) 1.547 91.562 ( 0.499 -1.465 0.000) 1.547 91.855 ( -0.561 -4.275 0.000) 4.312 91.855 ( 0.561 -4.275 0.000) 4.312 93.097 ( -13.224 3.509 0.000) 13.681 93.097 ( 13.224 3.509 0.000) 13.681 94.165 ( -7.206 -7.561 0.000) 10.445 94.165 ( 7.206 -7.561 0.000) 10.445 94.366 ( -0.907 -1.292 0.000) 1.578 94.366 ( 0.907 -1.292 0.000) 1.578 94.796 ( -4.041 -1.959 0.000) 4.490 94.796 ( 4.041 -1.959 0.000) 4.490 ======================= Grid point 35 (21/128) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 17.047 0.000) 17.047 2.085 ( 0.000 -9.803 0.000) 9.803 2.358 ( 0.000 2.736 0.000) 2.736 2.571 ( 0.000 1.583 0.000) 1.583 2.623 ( 0.000 10.540 0.000) 10.540 2.838 ( 0.000 0.572 0.000) 0.572 2.862 ( 0.000 -9.804 0.000) 9.804 2.920 ( 0.000 1.545 0.000) 1.545 2.959 ( 0.000 -0.858 0.000) 0.858 3.199 ( 0.000 7.083 0.000) 7.083 3.215 ( 0.000 6.366 0.000) 6.366 3.249 ( 0.000 1.264 0.000) 1.264 3.345 ( 0.000 9.035 0.000) 9.035 3.349 ( 0.000 -1.676 0.000) 1.676 3.676 ( 0.000 6.994 0.000) 6.994 3.896 ( 0.000 6.234 0.000) 6.234 4.074 ( 0.000 -13.401 0.000) 13.401 5.295 ( 0.000 -13.950 0.000) 13.950 5.777 ( 0.000 22.722 0.000) 22.722 6.092 ( 0.000 -5.281 0.000) 5.281 6.380 ( 0.000 1.522 0.000) 1.522 6.554 ( 0.000 -5.285 0.000) 5.285 6.971 ( 0.000 -12.051 0.000) 12.051 7.038 ( 0.000 1.074 0.000) 1.074 7.146 ( 0.000 5.448 0.000) 5.448 7.327 ( 0.000 -3.950 0.000) 3.950 7.369 ( 0.000 -4.916 0.000) 4.916 7.783 ( 0.000 10.738 0.000) 10.738 8.038 ( 0.000 1.419 0.000) 1.419 8.216 ( 0.000 -1.213 0.000) 1.213 8.224 ( 0.000 4.623 0.000) 4.623 9.352 ( 0.000 -21.491 0.000) 21.491 15.125 ( 0.000 -5.918 0.000) 5.918 15.296 ( 0.000 -5.781 0.000) 5.781 15.348 ( 0.000 -6.661 0.000) 6.661 15.541 ( 0.000 -5.221 0.000) 5.221 15.632 ( 0.000 -6.680 0.000) 6.680 15.641 ( 0.000 4.359 0.000) 4.359 15.741 ( 0.000 -6.461 0.000) 6.461 15.814 ( 0.000 4.028 0.000) 4.028 15.919 ( 0.000 3.190 0.000) 3.190 16.080 ( 0.000 3.045 0.000) 3.045 16.114 ( 0.000 -4.935 0.000) 4.935 16.238 ( 0.000 -6.447 0.000) 6.447 18.899 ( 0.000 -1.095 0.000) 1.095 18.942 ( 0.000 -1.384 0.000) 1.384 19.009 ( 0.000 0.630 0.000) 0.630 19.246 ( 0.000 2.909 0.000) 2.909 33.808 ( 0.000 2.741 0.000) 2.741 33.887 ( 0.000 3.530 0.000) 3.530 34.795 ( 0.000 4.332 0.000) 4.332 34.864 ( 0.000 1.373 0.000) 1.373 35.673 ( 0.000 -0.915 0.000) 0.915 35.888 ( 0.000 1.224 0.000) 1.224 37.018 ( 0.000 3.815 0.000) 3.815 37.280 ( 0.000 2.832 0.000) 2.832 42.320 ( 0.000 -3.152 0.000) 3.152 43.266 ( 0.000 14.771 0.000) 14.771 43.288 ( 0.000 4.537 0.000) 4.537 43.557 ( 0.000 5.801 0.000) 5.801 43.590 ( 0.000 14.487 0.000) 14.487 43.613 ( 0.000 18.911 0.000) 18.911 43.624 ( 0.000 6.813 0.000) 6.813 43.724 ( 0.000 4.014 0.000) 4.014 43.727 ( 0.000 3.564 0.000) 3.564 44.167 ( 0.000 3.821 0.000) 3.821 44.217 ( 0.000 7.834 0.000) 7.834 44.553 ( 0.000 7.420 0.000) 7.420 48.890 ( 0.000 0.619 0.000) 0.619 49.134 ( 0.000 -36.799 0.000) 36.799 49.735 ( 0.000 -17.656 0.000) 17.656 49.942 ( 0.000 -11.284 0.000) 11.284 49.954 ( 0.000 -18.125 0.000) 18.125 50.101 ( 0.000 -6.770 0.000) 6.770 50.279 ( 0.000 -0.554 0.000) 0.554 50.530 ( 0.000 -16.622 0.000) 16.622 50.974 ( 0.000 -6.736 0.000) 6.736 51.278 ( 0.000 -39.167 0.000) 39.167 51.474 ( 0.000 -3.840 0.000) 3.840 52.085 ( 0.000 -30.099 0.000) 30.099 91.346 ( 0.000 0.184 0.000) 0.184 91.359 ( 0.000 0.624 0.000) 0.624 91.405 ( 0.000 -1.459 0.000) 1.459 91.446 ( 0.000 -1.584 0.000) 1.584 91.541 ( 0.000 0.002 0.000) 0.002 91.550 ( 0.000 -0.133 0.000) 0.133 91.614 ( 0.000 -3.559 0.000) 3.559 91.696 ( 0.000 -2.960 0.000) 2.960 92.849 ( 0.000 8.895 0.000) 8.895 93.727 ( 0.000 -6.403 0.000) 6.403 93.730 ( 0.000 1.331 0.000) 1.331 94.148 ( 0.000 1.056 0.000) 1.056 94.207 ( 0.000 -1.459 0.000) 1.459 94.435 ( 0.000 -6.016 0.000) 6.016 94.531 ( 0.000 -4.088 0.000) 4.088 95.134 ( 0.000 -6.583 0.000) 6.583 ======================= Grid point 36 (22/128) ======================= q-point: ( 0.17 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 6.950 14.352 0.000) 15.946 2.128 ( 3.810 -8.662 0.000) 9.463 2.487 ( -4.957 0.236 0.000) 4.963 2.525 ( 14.037 2.317 0.000) 14.227 2.637 ( 3.285 8.556 0.000) 9.165 2.789 ( -3.551 3.731 0.000) 5.151 2.845 ( -0.492 -5.948 0.000) 5.968 2.943 ( -1.773 -2.325 0.000) 2.924 3.044 ( 4.404 3.356 0.000) 5.537 3.162 ( 1.377 6.549 0.000) 6.693 3.254 ( 0.822 1.357 0.000) 1.586 3.261 ( 2.764 3.239 0.000) 4.258 3.363 ( 1.923 8.305 0.000) 8.525 3.424 ( 5.665 -0.345 0.000) 5.676 3.658 ( -1.594 4.963 0.000) 5.212 3.865 ( -3.374 6.512 0.000) 7.334 4.101 ( 3.043 -11.440 0.000) 11.838 5.167 ( -12.171 -13.050 0.000) 17.845 5.774 ( -0.047 20.353 0.000) 20.353 6.149 ( 5.415 -4.900 0.000) 7.303 6.250 ( -10.231 2.517 0.000) 10.536 6.620 ( 3.927 -6.638 0.000) 7.712 6.932 ( -1.995 -2.223 0.000) 2.987 7.049 ( 1.017 0.860 0.000) 1.332 7.261 ( 5.853 -3.877 0.000) 7.021 7.307 ( -1.992 -3.165 0.000) 3.740 7.378 ( 3.946 -3.295 0.000) 5.141 7.793 ( 0.840 9.677 0.000) 9.714 8.047 ( 0.975 1.473 0.000) 1.766 8.191 ( -1.547 1.405 0.000) 2.089 8.256 ( 2.485 0.894 0.000) 2.640 9.228 ( -11.889 -20.379 0.000) 23.593 15.139 ( 1.324 -5.915 0.000) 6.061 15.285 ( -0.988 -5.789 0.000) 5.873 15.376 ( 2.658 -6.581 0.000) 7.098 15.567 ( 2.606 -5.091 0.000) 5.719 15.614 ( -1.374 -5.194 0.000) 5.373 15.652 ( 0.585 2.815 0.000) 2.876 15.724 ( -1.285 -2.916 0.000) 3.187 15.844 ( 2.532 0.534 0.000) 2.588 15.907 ( -1.330 2.021 0.000) 2.419 16.079 ( -0.038 2.864 0.000) 2.864 16.093 ( -1.920 -3.883 0.000) 4.332 16.209 ( -2.768 -6.304 0.000) 6.885 18.897 ( -0.206 -1.091 0.000) 1.111 18.937 ( -0.597 -1.430 0.000) 1.550 19.014 ( 0.717 0.881 0.000) 1.136 19.222 ( -2.263 2.815 0.000) 3.612 33.813 ( 0.493 2.824 0.000) 2.867 33.881 ( -0.560 3.515 0.000) 3.559 34.796 ( 0.159 4.286 0.000) 4.289 34.855 ( -0.866 1.865 0.000) 2.057 35.714 ( 3.735 -1.020 0.000) 3.872 35.895 ( 0.566 1.018 0.000) 1.165 37.030 ( 1.186 3.771 0.000) 3.953 37.255 ( -2.391 2.986 0.000) 3.826 42.433 ( 10.722 -2.722 0.000) 11.062 43.256 ( -1.141 14.189 0.000) 14.235 43.322 ( 2.886 6.311 0.000) 6.940 43.563 ( -2.325 13.053 0.000) 13.259 43.574 ( -2.247 12.050 0.000) 12.258 43.609 ( 4.778 5.878 0.000) 7.575 43.630 ( 0.165 9.226 0.000) 9.227 43.737 ( 2.181 4.224 0.000) 4.754 43.799 ( 5.052 6.673 0.000) 8.370 44.126 ( -3.813 3.200 0.000) 4.978 44.185 ( -3.046 7.863 0.000) 8.432 44.477 ( -7.343 6.608 0.000) 9.879 48.769 ( -9.598 0.351 0.000) 9.604 48.968 ( -13.806 -26.706 0.000) 30.063 49.768 ( 2.179 -17.949 0.000) 18.081 49.943 ( -1.136 -17.987 0.000) 18.023 50.125 ( 14.489 -10.971 0.000) 18.174 50.183 ( 10.196 -7.200 0.000) 12.482 50.386 ( 8.295 -9.202 0.000) 12.388 50.546 ( 1.528 -16.884 0.000) 16.953 50.925 ( -4.817 -7.055 0.000) 8.543 51.323 ( 4.274 -39.015 0.000) 39.249 51.445 ( -3.111 -3.854 0.000) 4.953 52.003 ( -7.883 -31.721 0.000) 32.686 91.346 ( 0.018 0.165 0.000) 0.166 91.354 ( -0.423 0.567 0.000) 0.707 91.412 ( 0.672 -1.483 0.000) 1.628 91.463 ( 1.515 -1.601 0.000) 2.204 91.519 ( -1.706 -0.757 0.000) 1.866 91.553 ( 0.258 -0.278 0.000) 0.379 91.642 ( 2.683 -3.508 0.000) 4.416 91.738 ( 3.274 -2.979 0.000) 4.426 92.880 ( 3.282 8.552 0.000) 9.161 93.627 ( -8.961 1.713 0.000) 9.123 93.763 ( 3.532 -6.577 0.000) 7.465 94.197 ( 2.575 -0.797 0.000) 2.696 94.224 ( 1.639 -1.499 0.000) 2.221 94.415 ( -1.347 -4.539 0.000) 4.735 94.526 ( 0.138 -3.892 0.000) 3.894 95.081 ( -5.153 -5.742 0.000) 7.715 ======================= Grid point 37 (23/128) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 3.017 7.779 0.000) 8.343 2.195 ( 1.880 -3.249 0.000) 3.754 2.468 ( 3.959 -2.968 0.000) 4.948 2.671 ( 3.552 4.273 0.000) 5.557 2.731 ( 0.214 4.951 0.000) 4.956 2.820 ( -2.023 -2.560 0.000) 3.263 2.831 ( -0.296 -1.328 0.000) 1.361 3.005 ( 16.639 2.789 0.000) 16.871 3.007 ( -4.925 8.376 0.000) 9.717 3.227 ( 1.704 3.000 0.000) 3.451 3.284 ( 2.518 1.862 0.000) 3.131 3.362 ( 5.914 6.519 0.000) 8.802 3.429 ( 4.908 0.252 0.000) 4.914 3.500 ( 0.858 4.974 0.000) 5.047 3.628 ( -1.221 0.793 0.000) 1.456 3.751 ( -8.138 7.704 0.000) 11.206 4.217 ( 9.222 -9.285 0.000) 13.086 4.848 ( -18.607 -11.298 0.000) 21.768 5.792 ( 2.329 15.385 0.000) 15.560 6.040 ( -9.847 5.946 0.000) 11.503 6.292 ( 8.497 -4.994 0.000) 9.856 6.620 ( -4.788 -8.214 0.000) 9.508 6.953 ( 4.334 1.830 0.000) 4.705 7.071 ( 0.762 0.095 0.000) 0.768 7.255 ( -2.791 -1.286 0.000) 3.073 7.263 ( -2.251 -2.229 0.000) 3.168 7.579 ( 11.648 -3.884 0.000) 12.278 7.803 ( -0.305 6.847 0.000) 6.853 8.075 ( 1.748 1.577 0.000) 2.355 8.156 ( -1.972 1.551 0.000) 2.508 8.343 ( 7.026 -3.775 0.000) 7.976 8.916 ( -18.061 -17.399 0.000) 25.078 15.174 ( 2.084 -5.895 0.000) 6.252 15.257 ( -1.769 -5.816 0.000) 6.079 15.444 ( 3.902 -6.406 0.000) 7.501 15.578 ( -2.327 -6.077 0.000) 6.508 15.640 ( 4.329 -4.225 0.000) 6.049 15.663 ( 0.545 3.353 0.000) 3.397 15.702 ( -0.520 -0.235 0.000) 0.571 15.857 ( -3.872 -1.341 0.000) 4.098 15.905 ( 3.512 -2.171 0.000) 4.129 16.046 ( -2.728 -1.634 0.000) 3.180 16.081 ( 0.236 2.029 0.000) 2.043 16.142 ( -3.383 -4.945 0.000) 5.991 18.894 ( 0.003 -1.100 0.000) 1.100 18.919 ( -1.092 -1.316 0.000) 1.711 19.043 ( 2.136 1.320 0.000) 2.511 19.163 ( -3.354 2.468 0.000) 4.164 33.827 ( 0.868 3.030 0.000) 3.152 33.866 ( -0.925 3.436 0.000) 3.558 34.802 ( 0.447 4.092 0.000) 4.117 34.834 ( -1.083 2.831 0.000) 3.031 35.801 ( 4.417 -0.900 0.000) 4.508 35.900 ( -0.313 0.451 0.000) 0.549 37.066 ( 2.367 3.659 0.000) 4.358 37.193 ( -3.524 3.275 0.000) 4.811 42.710 ( 15.908 -0.422 0.000) 15.914 43.205 ( -4.839 11.709 0.000) 12.669 43.365 ( 0.756 12.685 0.000) 12.707 43.465 ( -6.865 10.424 0.000) 12.482 43.567 ( 3.316 5.789 0.000) 6.671 43.671 ( 2.388 7.823 0.000) 8.179 43.748 ( 8.619 5.662 0.000) 10.312 43.794 ( 3.150 8.344 0.000) 8.918 43.888 ( 3.315 6.249 0.000) 7.074 44.037 ( -4.455 1.754 0.000) 4.788 44.107 ( -4.169 7.305 0.000) 8.411 44.283 ( -11.216 4.910 0.000) 12.244 48.595 ( -6.417 -0.988 0.000) 6.492 48.695 ( -11.637 -13.556 0.000) 17.866 49.814 ( 2.474 -17.784 0.000) 17.955 49.911 ( -2.031 -17.828 0.000) 17.943 50.342 ( 10.842 -8.560 0.000) 13.814 50.528 ( 4.921 -17.557 0.000) 18.234 50.544 ( 11.137 -14.215 0.000) 18.058 50.616 ( 13.929 -13.452 0.000) 19.364 50.786 ( -8.899 -7.496 0.000) 11.636 51.327 ( -9.629 -4.289 0.000) 10.541 51.438 ( 7.003 -38.640 0.000) 39.270 51.800 ( -11.289 -36.042 0.000) 37.768 91.346 ( -0.060 0.197 0.000) 0.206 91.346 ( -0.236 0.467 0.000) 0.523 91.430 ( 1.096 -1.582 0.000) 1.924 91.485 ( -1.620 -1.441 0.000) 2.168 91.500 ( 2.066 -1.501 0.000) 2.553 91.554 ( -0.303 -0.682 0.000) 0.747 91.710 ( 3.740 -3.511 0.000) 5.130 91.789 ( 1.151 -3.490 0.000) 3.675 92.989 ( 7.763 7.172 0.000) 10.568 93.415 ( -11.621 2.845 0.000) 11.964 93.866 ( 6.722 -6.917 0.000) 9.645 94.166 ( -5.607 -5.645 0.000) 7.956 94.270 ( 2.885 -1.617 0.000) 3.307 94.390 ( -1.971 -1.887 0.000) 2.729 94.586 ( 6.534 -2.209 0.000) 6.898 94.940 ( -8.579 -3.813 0.000) 9.389 ======================= Grid point 38 (24/128) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -0.047 2.283 0.000) 2.283 2.212 ( 0.047 2.283 0.000) 2.283 2.601 ( -6.469 -1.985 0.000) 6.766 2.601 ( 6.469 -1.985 0.000) 6.766 2.787 ( -0.046 -1.052 0.000) 1.053 2.787 ( 0.046 -1.052 0.000) 1.053 2.875 ( -6.833 6.901 0.000) 9.711 2.875 ( 6.833 6.901 0.000) 9.711 3.228 ( -1.693 2.964 0.000) 3.414 3.228 ( 1.693 2.964 0.000) 3.414 3.418 ( -5.147 3.531 0.000) 6.242 3.418 ( 5.147 3.531 0.000) 6.242 3.480 ( -0.001 3.982 0.000) 3.982 3.480 ( 0.001 3.982 0.000) 3.982 3.607 ( -0.034 4.758 0.000) 4.758 3.607 ( 0.035 4.758 0.000) 4.758 4.480 ( -15.788 -9.746 0.000) 18.554 4.480 ( 15.788 -9.746 0.000) 18.554 5.877 ( -1.639 10.250 0.000) 10.380 5.877 ( 1.639 10.250 0.000) 10.380 6.471 ( -5.225 -6.162 0.000) 8.079 6.471 ( 5.225 -6.162 0.000) 8.079 7.048 ( -2.895 -0.077 0.000) 2.896 7.048 ( 2.895 -0.077 0.000) 2.896 7.227 ( -0.024 -0.231 0.000) 0.232 7.227 ( 0.024 -0.231 0.000) 0.232 7.755 ( -4.916 1.846 0.000) 5.252 7.755 ( 4.916 1.846 0.000) 5.252 8.115 ( -1.894 1.613 0.000) 2.488 8.115 ( 1.894 1.613 0.000) 2.488 8.567 ( -14.058 -11.841 0.000) 18.381 8.567 ( 14.058 -11.841 0.000) 18.381 15.217 ( -1.715 -5.857 0.000) 6.103 15.217 ( 1.715 -5.857 0.000) 6.103 15.520 ( -3.035 -6.305 0.000) 6.997 15.520 ( 3.035 -6.305 0.000) 6.997 15.674 ( -0.386 2.312 0.000) 2.344 15.674 ( 0.386 2.312 0.000) 2.344 15.760 ( -4.814 -3.768 0.000) 6.113 15.760 ( 4.814 -3.768 0.000) 6.113 15.980 ( -3.183 -2.458 0.000) 4.022 15.980 ( 3.183 -2.458 0.000) 4.022 16.094 ( -0.433 -0.589 0.000) 0.731 16.094 ( 0.433 -0.589 0.000) 0.731 18.900 ( -0.083 -1.168 0.000) 1.171 18.900 ( 0.083 -1.168 0.000) 1.171 19.097 ( -2.034 1.895 0.000) 2.780 19.097 ( 2.034 1.895 0.000) 2.780 33.846 ( -0.881 3.262 0.000) 3.379 33.846 ( 0.881 3.262 0.000) 3.379 34.815 ( -0.253 3.631 0.000) 3.640 34.815 ( 0.253 3.631 0.000) 3.640 35.873 ( -2.531 -0.301 0.000) 2.548 35.873 ( 2.531 -0.301 0.000) 2.548 37.123 ( -3.268 3.502 0.000) 4.790 37.123 ( 3.268 3.502 0.000) 4.790 43.019 ( -12.401 4.677 0.000) 13.254 43.019 ( 12.401 4.677 0.000) 13.254 43.376 ( -0.329 13.713 0.000) 13.716 43.376 ( 0.329 13.713 0.000) 13.716 43.656 ( -3.224 4.379 0.000) 5.438 43.656 ( 3.224 4.379 0.000) 5.438 43.861 ( -1.576 11.193 0.000) 11.304 43.861 ( 1.576 11.193 0.000) 11.304 43.951 ( -4.629 1.820 0.000) 4.974 43.951 ( 4.629 1.820 0.000) 4.974 44.090 ( -3.747 4.301 0.000) 5.704 44.090 ( 3.747 4.301 0.000) 5.704 48.550 ( -0.786 -5.165 0.000) 5.224 48.550 ( 0.786 -5.165 0.000) 5.224 49.864 ( -1.202 -17.737 0.000) 17.778 49.864 ( 1.202 -17.737 0.000) 17.778 50.550 ( -6.305 -14.766 0.000) 16.055 50.550 ( 6.305 -14.766 0.000) 16.055 50.607 ( -1.398 -12.194 0.000) 12.274 50.607 ( 1.398 -12.194 0.000) 12.274 51.032 ( -16.011 -7.559 0.000) 17.705 51.032 ( 16.011 -7.559 0.000) 17.705 51.596 ( -5.071 -38.307 0.000) 38.641 51.596 ( 5.071 -38.307 0.000) 38.641 91.345 ( -0.001 0.328 0.000) 0.328 91.345 ( 0.001 0.328 0.000) 0.328 91.455 ( -1.302 -1.643 0.000) 2.096 91.455 ( 1.302 -1.643 0.000) 2.096 91.537 ( -0.990 -1.159 0.000) 1.524 91.537 ( 0.990 -1.159 0.000) 1.524 91.775 ( -0.718 -3.623 0.000) 3.693 91.775 ( 0.718 -3.623 0.000) 3.693 93.183 ( -9.897 4.870 0.000) 11.030 93.183 ( 9.897 4.870 0.000) 11.030 94.019 ( -6.293 -6.943 0.000) 9.371 94.019 ( 6.293 -6.943 0.000) 9.371 94.334 ( -1.502 -1.769 0.000) 2.321 94.334 ( 1.502 -1.769 0.000) 2.321 94.755 ( -5.262 -2.099 0.000) 5.665 94.755 ( 5.262 -2.099 0.000) 5.665 ======================= Grid point 42 (25/128) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.000 -8.677 0.000) 8.677 2.277 ( 0.000 9.834 0.000) 9.834 2.435 ( 0.000 5.550 0.000) 5.550 2.585 ( 0.000 0.265 0.000) 0.265 2.682 ( 0.000 -7.121 0.000) 7.121 2.739 ( 0.000 1.009 0.000) 1.009 2.901 ( 0.000 -4.512 0.000) 4.512 2.933 ( 0.000 0.094 0.000) 0.094 2.953 ( 0.000 10.914 0.000) 10.914 3.274 ( 0.000 1.571 0.000) 1.571 3.295 ( 0.000 2.233 0.000) 2.233 3.295 ( 0.000 2.795 0.000) 2.795 3.303 ( 0.000 -2.369 0.000) 2.369 3.549 ( 0.000 9.068 0.000) 9.068 3.745 ( 0.000 -17.705 0.000) 17.705 3.796 ( 0.000 4.575 0.000) 4.575 4.074 ( 0.000 10.841 0.000) 10.841 4.990 ( 0.000 -15.368 0.000) 15.368 6.010 ( 0.000 -2.870 0.000) 2.870 6.198 ( 0.000 17.021 0.000) 17.021 6.402 ( 0.000 -7.979 0.000) 7.979 6.424 ( 0.000 2.186 0.000) 2.186 6.835 ( 0.000 -3.001 0.000) 3.001 7.078 ( 0.000 2.902 0.000) 2.902 7.232 ( 0.000 3.082 0.000) 3.082 7.240 ( 0.000 -4.648 0.000) 4.648 7.307 ( 0.000 -1.666 0.000) 1.666 8.009 ( 0.000 12.044 0.000) 12.044 8.061 ( 0.000 0.859 0.000) 0.859 8.198 ( 0.000 -0.658 0.000) 0.658 8.299 ( 0.000 2.737 0.000) 2.737 8.929 ( 0.000 -20.228 0.000) 20.228 15.033 ( 0.000 -3.265 0.000) 3.265 15.206 ( 0.000 -3.145 0.000) 3.145 15.243 ( 0.000 -3.714 0.000) 3.714 15.462 ( 0.000 -2.710 0.000) 2.710 15.527 ( 0.000 -3.737 0.000) 3.737 15.638 ( 0.000 -3.742 0.000) 3.742 15.713 ( 0.000 2.658 0.000) 2.658 15.879 ( 0.000 2.417 0.000) 2.417 15.965 ( 0.000 1.517 0.000) 1.517 16.037 ( 0.000 -2.744 0.000) 2.744 16.125 ( 0.000 1.475 0.000) 1.475 16.136 ( 0.000 -3.708 0.000) 3.708 18.882 ( 0.000 -0.653 0.000) 0.653 18.921 ( 0.000 -0.702 0.000) 0.702 19.022 ( 0.000 0.586 0.000) 0.586 19.292 ( 0.000 1.675 0.000) 1.675 33.848 ( 0.000 1.347 0.000) 1.347 33.941 ( 0.000 1.905 0.000) 1.905 34.858 ( 0.000 2.094 0.000) 2.094 34.883 ( 0.000 0.579 0.000) 0.579 35.659 ( 0.000 -0.506 0.000) 0.506 35.907 ( 0.000 0.689 0.000) 0.689 37.079 ( 0.000 2.194 0.000) 2.194 37.324 ( 0.000 1.569 0.000) 1.569 42.268 ( 0.000 -1.897 0.000) 1.897 43.358 ( 0.000 2.496 0.000) 2.496 43.507 ( 0.000 8.913 0.000) 8.913 43.650 ( 0.000 3.410 0.000) 3.410 43.675 ( 0.000 0.503 0.000) 0.503 43.780 ( 0.000 1.764 0.000) 1.764 43.837 ( 0.000 9.604 0.000) 9.604 43.842 ( 0.000 5.515 0.000) 5.515 43.944 ( 0.000 13.374 0.000) 13.374 44.223 ( 0.000 1.811 0.000) 1.811 44.342 ( 0.000 4.402 0.000) 4.402 44.668 ( 0.000 4.042 0.000) 4.042 48.472 ( 0.000 -26.350 0.000) 26.350 48.901 ( 0.000 0.382 0.000) 0.382 49.411 ( 0.000 -13.567 0.000) 13.567 49.692 ( 0.000 -8.938 0.000) 8.938 49.759 ( 0.000 -6.482 0.000) 6.482 49.918 ( 0.000 -12.117 0.000) 12.117 50.248 ( 0.000 -8.277 0.000) 8.277 50.274 ( 0.000 -0.006 0.000) 0.006 50.805 ( 0.000 -11.649 0.000) 11.649 50.890 ( 0.000 -1.897 0.000) 1.897 51.384 ( 0.000 -5.571 0.000) 5.571 51.663 ( 0.000 -12.384 0.000) 12.384 91.349 ( 0.000 0.140 0.000) 0.140 91.371 ( 0.000 0.491 0.000) 0.491 91.386 ( 0.000 -0.443 0.000) 0.443 91.417 ( 0.000 -1.288 0.000) 1.288 91.541 ( 0.000 0.053 0.000) 0.053 91.547 ( 0.000 -0.114 0.000) 0.114 91.558 ( 0.000 -1.983 0.000) 1.983 91.649 ( 0.000 -1.666 0.000) 1.666 93.009 ( 0.000 6.729 0.000) 6.729 93.610 ( 0.000 -5.108 0.000) 5.108 93.747 ( 0.000 0.472 0.000) 0.472 94.179 ( 0.000 2.003 0.000) 2.003 94.184 ( 0.000 -0.826 0.000) 0.826 94.330 ( 0.000 -4.508 0.000) 4.508 94.468 ( 0.000 -2.165 0.000) 2.165 95.023 ( 0.000 -4.174 0.000) 4.174 ======================= Grid point 43 (26/128) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 5.212 -8.440 0.000) 9.920 2.335 ( 3.093 11.034 0.000) 11.459 2.495 ( -5.532 0.556 0.000) 5.560 2.568 ( 12.295 0.837 0.000) 12.324 2.709 ( -1.710 0.573 0.000) 1.804 2.711 ( 2.550 -6.106 0.000) 6.617 2.886 ( -0.531 -2.715 0.000) 2.767 2.945 ( -0.320 9.987 0.000) 9.993 3.070 ( 9.552 0.453 0.000) 9.563 3.250 ( -3.066 2.288 0.000) 3.826 3.278 ( 1.097 1.113 0.000) 1.563 3.319 ( 1.377 2.047 0.000) 2.467 3.393 ( 7.014 -1.612 0.000) 7.197 3.550 ( 0.338 8.519 0.000) 8.526 3.683 ( -2.694 -6.860 0.000) 7.370 3.886 ( 5.829 -4.602 0.000) 7.427 4.049 ( -2.706 11.240 0.000) 11.561 4.877 ( -10.934 -14.978 0.000) 18.544 6.040 ( 2.445 -0.555 0.000) 2.507 6.188 ( -0.333 13.459 0.000) 13.464 6.309 ( -6.595 2.685 0.000) 7.120 6.468 ( 1.772 -7.155 0.000) 7.371 6.878 ( 3.487 -2.170 0.000) 4.107 7.084 ( 0.416 2.583 0.000) 2.616 7.231 ( -0.857 -4.207 0.000) 4.294 7.238 ( 0.464 0.067 0.000) 0.469 7.353 ( 5.275 0.090 0.000) 5.276 8.006 ( -0.381 11.646 0.000) 11.652 8.073 ( 1.149 1.231 0.000) 1.684 8.190 ( -0.768 -0.567 0.000) 0.954 8.298 ( -0.068 2.106 0.000) 2.107 8.822 ( -10.195 -19.785 0.000) 22.257 15.046 ( 1.332 -3.263 0.000) 3.525 15.196 ( -1.007 -3.155 0.000) 3.311 15.272 ( 2.763 -3.679 0.000) 4.601 15.490 ( 2.768 -2.664 0.000) 3.841 15.515 ( -1.245 -3.672 0.000) 3.877 15.647 ( 0.845 -3.368 0.000) 3.472 15.716 ( 0.225 2.469 0.000) 2.480 15.883 ( 0.471 2.055 0.000) 2.108 15.919 ( -4.043 -0.493 0.000) 4.073 16.049 ( 0.561 -0.648 0.000) 0.857 16.109 ( -2.339 -3.676 0.000) 4.357 16.122 ( -0.269 1.418 0.000) 1.444 18.879 ( -0.195 -0.646 0.000) 0.675 18.916 ( -0.575 -0.701 0.000) 0.907 19.031 ( 0.974 0.672 0.000) 1.183 19.267 ( -2.424 1.619 0.000) 2.915 33.855 ( 0.630 1.402 0.000) 1.538 33.935 ( -0.600 1.889 0.000) 1.982 34.859 ( 0.059 2.054 0.000) 2.055 34.880 ( -0.281 0.773 0.000) 0.823 35.699 ( 3.720 -0.507 0.000) 3.754 35.911 ( 0.272 0.591 0.000) 0.651 37.090 ( 1.104 2.158 0.000) 2.424 37.301 ( -2.193 1.642 0.000) 2.740 42.387 ( 11.520 -1.680 0.000) 11.641 43.409 ( 4.877 2.824 0.000) 5.635 43.490 ( -2.006 8.881 0.000) 9.104 43.684 ( 0.198 0.806 0.000) 0.830 43.699 ( 4.798 3.397 0.000) 5.879 43.751 ( -2.484 4.832 0.000) 5.433 43.791 ( -3.221 6.928 0.000) 7.640 43.885 ( 3.563 7.890 0.000) 8.657 43.962 ( 1.354 8.998 0.000) 9.099 44.168 ( -5.166 1.127 0.000) 5.287 44.313 ( -2.896 4.538 0.000) 5.383 44.577 ( -8.680 3.415 0.000) 9.328 48.454 ( -1.418 -21.579 0.000) 21.625 48.793 ( -8.777 1.868 0.000) 8.973 49.441 ( 2.379 -13.837 0.000) 14.040 49.672 ( -1.900 -9.265 0.000) 9.458 49.932 ( 15.349 -7.714 0.000) 17.178 49.988 ( 7.118 -12.862 0.000) 14.700 50.266 ( 1.916 -7.575 0.000) 7.813 50.280 ( 0.403 -2.503 0.000) 2.535 50.837 ( -5.201 -1.962 0.000) 5.559 50.853 ( 4.604 -11.473 0.000) 12.363 51.354 ( -3.056 -6.514 0.000) 7.195 51.554 ( -10.724 -12.704 0.000) 16.625 91.349 ( -0.020 0.105 0.000) 0.107 91.364 ( -0.523 0.430 0.000) 0.678 91.392 ( 0.617 -0.482 0.000) 0.783 91.433 ( 1.546 -1.264 0.000) 1.997 91.509 ( -2.303 -0.260 0.000) 2.318 91.548 ( 0.032 -0.187 0.000) 0.190 91.588 ( 2.728 -1.943 0.000) 3.349 91.691 ( 2.938 -1.703 0.000) 3.395 93.035 ( 2.684 6.544 0.000) 7.073 93.643 ( 3.303 -5.204 0.000) 6.164 93.655 ( -7.995 1.093 0.000) 8.069 94.175 ( -2.452 -1.172 0.000) 2.718 94.200 ( 1.547 -0.869 0.000) 1.774 94.351 ( 2.379 -2.014 0.000) 3.117 94.468 ( 0.788 -1.997 0.000) 2.146 94.984 ( -3.891 -3.683 0.000) 5.357 ======================= Grid point 44 (27/128) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 7.750 -6.692 0.000) 10.240 2.331 ( -3.518 6.069 0.000) 7.015 2.441 ( 0.818 0.068 0.000) 0.821 2.661 ( -4.760 -5.325 0.000) 7.143 2.740 ( 3.551 0.210 0.000) 3.558 2.760 ( 1.968 -2.964 0.000) 3.558 2.918 ( 1.811 7.348 0.000) 7.568 3.083 ( 15.900 3.174 0.000) 16.214 3.124 ( -5.123 4.111 0.000) 6.569 3.262 ( 3.710 0.164 0.000) 3.713 3.313 ( 2.554 1.018 0.000) 2.749 3.363 ( 3.221 -1.283 0.000) 3.467 3.525 ( 5.149 0.243 0.000) 5.155 3.568 ( 1.390 7.673 0.000) 7.798 3.671 ( 1.755 0.634 0.000) 1.866 3.955 ( -7.025 12.149 0.000) 14.034 4.021 ( 8.341 -8.080 0.000) 11.613 4.585 ( -17.228 -14.355 0.000) 22.425 6.068 ( 0.259 9.185 0.000) 9.189 6.176 ( -5.990 7.054 0.000) 9.254 6.232 ( 5.085 0.223 0.000) 5.089 6.458 ( -3.145 -7.813 0.000) 8.422 6.956 ( 4.252 -0.792 0.000) 4.325 7.083 ( -0.913 1.014 0.000) 1.364 7.215 ( -0.394 -2.301 0.000) 2.334 7.239 ( -0.538 -0.435 0.000) 0.692 7.539 ( 12.975 -0.655 0.000) 12.991 7.976 ( -3.620 10.494 0.000) 11.101 8.103 ( 1.719 1.241 0.000) 2.120 8.168 ( -1.358 -0.239 0.000) 1.379 8.302 ( 0.785 -0.624 0.000) 1.003 8.566 ( -13.773 -17.629 0.000) 22.372 15.082 ( 2.114 -3.247 0.000) 3.875 15.167 ( -1.804 -3.180 0.000) 3.656 15.343 ( 4.023 -3.598 0.000) 5.397 15.479 ( -2.348 -3.583 0.000) 4.284 15.570 ( 5.124 -2.536 0.000) 5.717 15.672 ( 1.596 -2.137 0.000) 2.667 15.716 ( -0.315 1.804 0.000) 1.832 15.817 ( -5.961 -1.956 0.000) 6.274 15.900 ( 1.345 0.911 0.000) 1.624 16.016 ( -3.750 -1.580 0.000) 4.070 16.088 ( 0.532 -0.727 0.000) 0.901 16.114 ( -0.491 1.199 0.000) 1.296 18.877 ( 0.001 -0.631 0.000) 0.631 18.899 ( -0.991 -0.659 0.000) 1.190 19.065 ( 2.505 0.868 0.000) 2.651 19.203 ( -3.717 1.436 0.000) 3.985 33.872 ( 1.074 1.542 0.000) 1.879 33.919 ( -1.041 1.826 0.000) 2.102 34.861 ( 0.178 1.911 0.000) 1.919 34.873 ( -0.391 1.203 0.000) 1.265 35.789 ( 4.732 -0.383 0.000) 4.747 35.908 ( -0.830 0.315 0.000) 0.887 37.123 ( 2.235 2.065 0.000) 3.043 37.244 ( -3.307 1.796 0.000) 3.763 42.698 ( 18.606 -0.555 0.000) 18.614 43.384 ( -10.267 6.076 0.000) 11.930 43.539 ( 7.600 4.759 0.000) 8.966 43.644 ( -2.411 6.704 0.000) 7.125 43.698 ( -2.229 6.763 0.000) 7.121 43.774 ( 0.530 4.401 0.000) 4.433 43.834 ( 8.165 2.877 0.000) 8.657 43.970 ( 4.021 6.790 0.000) 7.891 43.984 ( 0.942 3.476 0.000) 3.601 44.045 ( -5.542 -0.307 0.000) 5.551 44.232 ( -4.883 4.787 0.000) 6.838 44.354 ( -12.552 2.251 0.000) 12.752 48.437 ( 0.267 -11.195 0.000) 11.199 48.613 ( -8.348 2.199 0.000) 8.633 49.495 ( 3.006 -13.328 0.000) 13.663 49.622 ( -2.966 -10.433 0.000) 10.846 50.136 ( 7.868 -12.042 0.000) 14.385 50.280 ( -0.646 -7.440 0.000) 7.468 50.315 ( 11.228 -9.305 0.000) 14.582 50.358 ( 16.942 -8.143 0.000) 18.797 50.690 ( -9.209 -2.177 0.000) 9.463 50.977 ( 7.333 -10.881 0.000) 13.121 51.249 ( -17.610 -18.519 0.000) 25.555 51.267 ( -7.289 -3.366 0.000) 8.028 91.349 ( -0.002 0.083 0.000) 0.083 91.355 ( -0.376 0.305 0.000) 0.484 91.409 ( 1.026 -0.547 0.000) 1.163 91.466 ( -1.890 -0.480 0.000) 1.950 91.473 ( 2.308 -1.107 0.000) 2.560 91.543 ( -0.716 -0.433 0.000) 0.837 91.655 ( 3.639 -1.977 0.000) 4.142 91.733 ( 0.816 -2.033 0.000) 2.191 93.122 ( 6.103 5.669 0.000) 8.330 93.469 ( -10.004 2.323 0.000) 10.270 93.743 ( 6.656 -5.235 0.000) 8.468 94.067 ( -7.593 -3.908 0.000) 8.540 94.244 ( 2.711 -0.992 0.000) 2.887 94.358 ( -1.947 -1.249 0.000) 2.313 94.556 ( 7.488 -0.937 0.000) 7.547 94.874 ( -6.856 -2.507 0.000) 7.300 ======================= Grid point 45 (28/128) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -6.529 -0.908 0.000) 6.592 2.224 ( 6.529 -0.908 0.000) 6.592 2.526 ( -4.553 -3.060 0.000) 5.486 2.526 ( 4.553 -3.061 0.000) 5.486 2.779 ( -0.072 -0.495 0.000) 0.500 2.779 ( 0.072 -0.495 0.000) 0.500 3.000 ( -5.994 5.439 0.000) 8.093 3.000 ( 5.994 5.439 0.000) 8.093 3.278 ( -1.475 1.676 0.000) 2.233 3.278 ( 1.475 1.676 0.000) 2.233 3.391 ( -0.502 -3.505 0.000) 3.540 3.391 ( 0.502 -3.505 0.000) 3.540 3.587 ( -0.025 5.845 0.000) 5.845 3.587 ( 0.025 5.845 0.000) 5.845 3.776 ( -2.598 9.933 0.000) 10.267 3.776 ( 2.598 9.933 0.000) 10.267 4.249 ( -9.085 -12.586 0.000) 15.522 4.249 ( 9.085 -12.586 0.000) 15.522 6.089 ( -0.168 9.892 0.000) 9.893 6.089 ( 0.168 9.892 0.000) 9.893 6.356 ( -1.485 -5.433 0.000) 5.633 6.356 ( 1.485 -5.433 0.000) 5.633 7.038 ( -3.309 -0.628 0.000) 3.368 7.038 ( 3.309 -0.628 0.000) 3.368 7.222 ( -0.079 -0.282 0.000) 0.292 7.222 ( 0.079 -0.282 0.000) 0.292 7.816 ( -11.585 3.805 0.000) 12.193 7.816 ( 11.585 3.805 0.000) 12.194 8.137 ( -0.927 0.460 0.000) 1.035 8.137 ( 0.927 0.460 0.000) 1.035 8.357 ( -4.701 -8.645 0.000) 9.841 8.357 ( 4.701 -8.645 0.000) 9.841 15.126 ( -1.983 -3.215 0.000) 3.778 15.126 ( 1.983 -3.215 0.000) 3.778 15.421 ( -3.312 -3.551 0.000) 4.856 15.421 ( 3.312 -3.551 0.000) 4.856 15.683 ( -4.449 -1.457 0.000) 4.681 15.683 ( 4.449 -1.457 0.000) 4.681 15.707 ( -1.401 -0.930 0.000) 1.682 15.707 ( 1.401 -0.930 0.000) 1.682 15.943 ( -2.168 -0.828 0.000) 2.321 15.943 ( 2.168 -0.828 0.000) 2.321 16.102 ( -0.166 0.677 0.000) 0.697 16.102 ( 0.166 0.677 0.000) 0.697 18.882 ( -0.124 -0.628 0.000) 0.640 18.882 ( 0.124 -0.628 0.000) 0.640 19.128 ( -3.037 1.150 0.000) 3.248 19.128 ( 3.037 1.150 0.000) 3.248 33.895 ( -1.167 1.702 0.000) 2.064 33.895 ( 1.167 1.702 0.000) 2.064 34.866 ( -0.081 1.623 0.000) 1.625 34.866 ( 0.081 1.623 0.000) 1.625 35.870 ( -3.095 -0.062 0.000) 3.096 35.870 ( 3.095 -0.062 0.000) 3.096 37.178 ( -3.151 1.942 0.000) 3.702 37.178 ( 3.151 1.942 0.000) 3.702 43.082 ( -17.929 1.998 0.000) 18.040 43.082 ( 17.929 1.998 0.000) 18.040 43.630 ( -0.000 11.088 0.000) 11.088 43.630 ( 0.000 11.088 0.000) 11.088 43.725 ( -4.294 2.744 0.000) 5.096 43.725 ( 4.294 2.744 0.000) 5.096 43.949 ( -1.989 -2.103 0.000) 2.895 43.949 ( 1.989 -2.103 0.000) 2.895 44.047 ( -2.985 7.109 0.000) 7.710 44.047 ( 2.985 7.109 0.000) 7.710 44.156 ( -0.558 2.199 0.000) 2.269 44.156 ( 0.558 2.199 0.000) 2.269 48.482 ( -3.515 -2.065 0.000) 4.077 48.482 ( 3.515 -2.065 0.000) 4.077 49.559 ( -2.121 -12.041 0.000) 12.227 49.559 ( 2.121 -12.041 0.000) 12.227 50.246 ( -1.168 -11.608 0.000) 11.666 50.246 ( 1.168 -11.608 0.000) 11.666 50.489 ( -10.035 -2.635 0.000) 10.375 50.489 ( 10.035 -2.635 0.000) 10.375 50.818 ( -21.639 -14.053 0.000) 25.802 50.818 ( 21.639 -14.053 0.000) 25.802 51.129 ( -7.364 -9.535 0.000) 12.048 51.129 ( 7.364 -9.535 0.000) 12.048 91.350 ( -0.024 0.162 0.000) 0.164 91.350 ( 0.024 0.162 0.000) 0.164 91.433 ( -1.402 -0.558 0.000) 1.509 91.433 ( 1.402 -0.558 0.000) 1.509 91.517 ( -1.593 -0.795 0.000) 1.781 91.517 ( 1.593 -0.795 0.000) 1.781 91.718 ( -1.181 -2.094 0.000) 2.404 91.718 ( 1.181 -2.094 0.000) 2.404 93.275 ( -7.688 4.014 0.000) 8.673 93.275 ( 7.688 4.014 0.000) 8.673 93.899 ( -6.821 -4.853 0.000) 8.371 93.899 ( 6.821 -4.853 0.000) 8.371 94.303 ( -2.285 -1.167 0.000) 2.566 94.303 ( 2.285 -1.167 0.000) 2.566 94.720 ( -6.349 -1.324 0.000) 6.486 94.720 ( 6.349 -1.324 0.000) 6.486 ======================= Grid point 49 (29/128) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.002 0.000) 0.002 2.598 ( 0.000 -0.002 0.000) 0.002 2.741 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 -0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 -0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 8.668 ( 0.000 -0.000 0.000) 0.000 15.000 ( 0.000 0.000 0.000) 0.000 15.175 ( 0.000 0.000 0.000) 0.000 15.206 ( 0.000 0.000 0.000) 0.000 15.435 ( 0.000 0.000 0.000) 0.000 15.490 ( 0.000 0.000 0.000) 0.000 15.600 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.904 ( 0.000 0.000 0.000) 0.000 15.980 ( 0.000 0.000 0.000) 0.000 16.009 ( 0.000 0.000 0.000) 0.000 16.098 ( 0.000 0.000 0.000) 0.000 16.139 ( 0.000 0.000 0.000) 0.000 18.875 ( 0.000 0.000 0.000) 0.000 18.914 ( 0.000 0.000 0.000) 0.000 19.028 ( 0.000 0.000 0.000) 0.000 19.309 ( 0.000 0.000 0.000) 0.000 33.861 ( 0.000 0.000 0.000) 0.000 33.960 ( 0.000 0.000 0.000) 0.000 34.879 ( 0.000 0.000 0.000) 0.000 34.889 ( 0.000 0.000 0.000) 0.000 35.654 ( 0.000 0.000 0.000) 0.000 35.914 ( 0.000 0.000 0.000) 0.000 37.101 ( 0.000 0.000 0.000) 0.000 37.340 ( 0.000 0.000 0.000) 0.000 42.249 ( 0.000 0.000 0.000) 0.000 43.383 ( 0.000 0.000 0.000) 0.000 43.598 ( 0.000 0.000 0.000) 0.000 43.678 ( 0.000 0.000 0.000) 0.000 43.685 ( 0.000 0.000 0.000) 0.000 43.797 ( 0.000 0.000 0.000) 0.000 43.900 ( 0.000 0.000 0.000) 0.000 43.937 ( 0.000 0.000 0.000) 0.000 44.088 ( 0.000 0.000 0.000) 0.000 44.240 ( 0.000 0.000 0.000) 0.000 44.384 ( 0.000 0.000 0.000) 0.000 44.709 ( 0.000 0.000 0.000) 0.000 48.197 ( 0.000 0.000 0.000) 0.000 48.904 ( 0.000 0.000 0.000) 0.000 49.264 ( 0.000 0.000 0.000) 0.000 49.602 ( 0.000 0.000 0.000) 0.000 49.706 ( 0.000 -0.000 0.000) 0.000 49.759 ( 0.000 0.000 0.000) 0.000 50.181 ( 0.000 0.000 0.000) 0.000 50.275 ( 0.000 0.000 0.000) 0.000 50.703 ( 0.000 -0.000 0.000) 0.000 50.878 ( 0.000 -0.000 0.000) 0.000 51.306 ( 0.000 0.000 0.000) 0.000 51.558 ( 0.000 0.000 0.000) 0.000 91.351 ( 0.000 0.000 0.000) 0.000 91.376 ( 0.000 0.000 0.000) 0.000 91.383 ( 0.000 0.000 0.000) 0.000 91.402 ( 0.000 -0.000 0.000) 0.000 91.538 ( 0.000 0.000 0.000) 0.000 91.542 ( 0.000 0.000 0.000) 0.000 91.546 ( 0.000 0.000 0.000) 0.000 91.633 ( 0.000 0.000 0.000) 0.000 93.084 ( 0.000 0.000 0.000) 0.000 93.552 ( 0.000 0.000 0.000) 0.000 93.751 ( 0.000 0.000 0.000) 0.000 94.176 ( 0.000 0.000 0.000) 0.000 94.212 ( 0.000 -0.000 0.000) 0.000 94.272 ( 0.000 0.000 0.000) 0.000 94.447 ( 0.000 0.000 0.000) 0.000 94.981 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 51 (30/128) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 5.488 0.000 0.000) 5.488 2.499 ( 10.228 0.000 0.000) 10.228 2.504 ( -5.606 0.000 0.000) 5.606 2.525 ( -1.786 -0.000 0.000) 1.786 2.642 ( 3.948 0.000 0.000) 3.948 2.714 ( -1.126 0.000 0.000) 1.126 2.859 ( 4.332 0.000 0.000) 4.332 3.070 ( -2.874 0.000 0.000) 2.874 3.074 ( 10.206 0.000 0.000) 10.206 3.271 ( -3.728 0.000 0.000) 3.728 3.291 ( 1.230 -0.000 0.000) 1.230 3.338 ( 0.892 0.000 0.000) 0.892 3.409 ( 7.303 -0.000 0.000) 7.303 3.513 ( 2.751 0.000 0.000) 2.751 3.642 ( -0.085 0.000 0.000) 0.085 3.876 ( 2.978 0.000 0.000) 2.978 4.208 ( -1.719 0.000 0.000) 1.719 4.682 ( -11.223 -0.000 0.000) 11.223 6.022 ( 3.899 0.000 0.000) 3.899 6.336 ( 1.413 0.000 0.000) 1.413 6.343 ( -3.045 0.000 0.000) 3.045 6.391 ( -4.785 -0.000 0.000) 4.785 6.857 ( 3.996 0.000 0.000) 3.996 7.142 ( -1.484 0.000 0.000) 1.484 7.156 ( 1.152 -0.000 0.000) 1.152 7.240 ( -0.636 0.000 0.000) 0.636 7.357 ( 5.424 0.000 0.000) 5.424 8.079 ( 0.878 0.000 0.000) 0.878 8.184 ( -0.751 0.000 0.000) 0.751 8.195 ( 1.200 0.000 0.000) 1.200 8.320 ( -0.678 0.000 0.000) 0.678 8.555 ( -11.064 -0.000 0.000) 11.064 15.014 ( 1.336 0.000 0.000) 1.336 15.164 ( -1.017 0.000 0.000) 1.017 15.235 ( 2.795 0.000 0.000) 2.795 15.463 ( 2.809 0.000 0.000) 2.809 15.478 ( -1.196 0.000 0.000) 1.196 15.612 ( 1.157 0.000 0.000) 1.157 15.741 ( 0.004 0.000 0.000) 0.004 15.905 ( 0.174 0.000 0.000) 0.174 15.910 ( -4.928 0.000 0.000) 4.928 16.049 ( 2.077 -0.000 0.000) 2.077 16.068 ( -2.801 0.000 0.000) 2.801 16.136 ( -0.327 0.000 0.000) 0.327 18.873 ( -0.188 0.000 0.000) 0.188 18.909 ( -0.566 0.000 0.000) 0.566 19.038 ( 1.046 0.000 0.000) 1.046 19.283 ( -2.483 0.000 0.000) 2.483 33.868 ( 0.685 0.000 0.000) 0.685 33.954 ( -0.618 0.000 0.000) 0.618 34.879 ( 0.014 0.000 0.000) 0.014 34.888 ( -0.110 0.000 0.000) 0.110 35.694 ( 3.740 0.000 0.000) 3.740 35.917 ( 0.177 0.000 0.000) 0.177 37.112 ( 1.067 0.000 0.000) 1.067 37.318 ( -2.127 0.000 0.000) 2.127 42.370 ( 11.787 0.000 0.000) 11.787 43.436 ( 5.195 0.000 0.000) 5.195 43.585 ( -2.245 0.000 0.000) 2.245 43.684 ( 0.661 0.000 0.000) 0.661 43.733 ( 4.758 0.000 0.000) 4.758 43.792 ( -0.530 0.000 0.000) 0.530 43.863 ( -2.904 0.000 0.000) 2.904 43.970 ( 3.133 0.000 0.000) 3.133 44.067 ( -1.997 0.000 0.000) 1.997 44.178 ( -6.016 0.000 0.000) 6.016 44.356 ( -2.693 0.000 0.000) 2.693 44.611 ( -9.278 0.000 0.000) 9.278 48.226 ( 2.925 0.000 0.000) 2.925 48.820 ( -7.445 0.000 0.000) 7.445 49.287 ( 2.215 0.000 0.000) 2.215 49.580 ( -2.226 0.000 0.000) 2.226 49.832 ( 6.834 0.000 0.000) 6.834 49.854 ( 13.732 0.000 0.000) 13.732 50.207 ( 2.635 0.000 0.000) 2.635 50.259 ( -1.568 0.000 0.000) 1.568 50.753 ( 4.816 0.000 0.000) 4.816 50.826 ( -5.127 -0.000 0.000) 5.127 51.251 ( -5.765 0.000 0.000) 5.765 51.458 ( -9.392 0.000 0.000) 9.392 91.350 ( -0.053 0.000 0.000) 0.053 91.369 ( -0.582 0.000 0.000) 0.582 91.389 ( 0.540 0.000 0.000) 0.540 91.419 ( 1.629 -0.000 0.000) 1.629 91.507 ( -2.437 0.000 0.000) 2.437 91.546 ( -0.046 0.000 0.000) 0.046 91.568 ( 2.746 0.000 0.000) 2.746 91.674 ( 2.784 0.000 0.000) 2.784 93.107 ( 2.443 0.000 0.000) 2.443 93.584 ( 3.250 0.000 0.000) 3.250 93.667 ( -7.422 0.000 0.000) 7.422 94.162 ( -4.905 0.000 0.000) 4.905 94.191 ( 1.501 0.000 0.000) 1.501 94.331 ( 4.026 0.000 0.000) 4.026 94.448 ( 1.129 0.000 0.000) 1.129 94.946 ( -3.415 0.000 0.000) 3.415 ======================= Grid point 53 (31/128) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 9.359 0.000 0.000) 9.359 2.410 ( -8.936 0.000 0.000) 8.936 2.446 ( 0.160 0.000 0.000) 0.160 2.582 ( -2.168 0.000 0.000) 2.168 2.726 ( 3.748 0.000 0.000) 3.748 2.741 ( 2.809 0.000 0.000) 2.809 3.027 ( -0.693 -0.000 0.000) 0.693 3.090 ( 15.653 0.000 0.000) 15.653 3.172 ( -5.777 0.000 0.000) 5.777 3.250 ( 6.241 0.000 0.000) 6.241 3.321 ( 1.607 0.000 0.000) 1.607 3.353 ( 0.413 0.000 0.000) 0.413 3.566 ( 7.185 -0.000 0.000) 7.185 3.624 ( 9.743 0.000 0.000) 9.743 3.650 ( 0.913 0.000 0.000) 0.913 3.948 ( 4.161 0.000 0.000) 4.161 4.149 ( -4.241 0.000 0.000) 4.241 4.369 ( -19.473 -0.000 0.000) 19.473 6.125 ( 6.087 0.000 0.000) 6.087 6.275 ( -3.048 0.000 0.000) 3.048 6.294 ( -4.216 0.000 0.000) 4.216 6.332 ( -2.313 -0.000 0.000) 2.313 6.945 ( 4.540 -0.000 0.000) 4.540 7.099 ( -2.836 0.000 0.000) 2.836 7.186 ( 1.720 -0.000 0.000) 1.720 7.236 ( -0.306 0.000 0.000) 0.306 7.535 ( 13.057 0.000 0.000) 13.057 8.102 ( 1.438 0.000 0.000) 1.438 8.163 ( -1.315 0.000 0.000) 1.315 8.227 ( 1.898 0.000 0.000) 1.898 8.253 ( -18.292 -0.000 0.000) 18.292 8.299 ( -1.384 0.000 0.000) 1.384 15.049 ( 2.128 0.000 0.000) 2.128 15.135 ( -1.822 0.000 0.000) 1.822 15.307 ( 4.062 0.000 0.000) 4.062 15.443 ( -2.313 0.000 0.000) 2.313 15.544 ( 5.198 0.000 0.000) 5.198 15.647 ( 2.355 0.000 0.000) 2.355 15.734 ( -0.925 0.000 0.000) 0.925 15.796 ( -6.401 0.000 0.000) 6.401 15.913 ( 0.661 0.000 0.000) 0.661 15.999 ( -3.709 0.000 0.000) 3.709 16.085 ( 1.493 0.000 0.000) 1.493 16.126 ( -0.644 0.000 0.000) 0.644 18.870 ( 0.010 0.000 0.000) 0.010 18.893 ( -0.971 0.000 0.000) 0.971 19.074 ( 2.624 0.000 0.000) 2.624 19.217 ( -3.840 0.000 0.000) 3.840 33.887 ( 1.158 0.000 0.000) 1.158 33.937 ( -1.090 0.000 0.000) 1.090 34.880 ( 0.069 0.000 0.000) 0.069 34.885 ( -0.166 0.000 0.000) 0.166 35.785 ( 4.851 0.000 0.000) 4.851 35.911 ( -1.000 0.000 0.000) 1.000 37.144 ( 2.177 0.000 0.000) 2.177 37.262 ( -3.227 0.000 0.000) 3.227 42.692 ( 19.510 0.000 0.000) 19.510 43.444 ( -12.775 0.000 0.000) 12.775 43.582 ( 9.037 0.000 0.000) 9.037 43.706 ( 1.459 0.000 0.000) 1.459 43.775 ( -1.175 0.000 0.000) 1.175 43.840 ( 1.353 0.000 0.000) 1.353 43.861 ( 6.971 0.000 0.000) 6.971 43.996 ( -7.859 0.000 0.000) 7.859 44.020 ( -1.602 0.000 0.000) 1.602 44.073 ( 3.047 0.000 0.000) 3.047 44.281 ( -4.735 0.000 0.000) 4.735 44.375 ( -13.202 0.000 0.000) 13.202 48.315 ( 5.981 0.000 0.000) 5.981 48.645 ( -9.464 0.000 0.000) 9.464 49.349 ( 3.824 0.000 0.000) 3.824 49.518 ( -3.846 0.000 0.000) 3.846 49.995 ( 8.300 0.000 0.000) 8.300 50.208 ( 20.727 0.000 0.000) 20.727 50.212 ( -3.140 0.000 0.000) 3.140 50.297 ( 6.762 0.000 0.000) 6.762 50.680 ( -9.242 -0.000 0.000) 9.242 50.884 ( 7.937 0.000 0.000) 7.937 51.041 ( -16.150 0.000 0.000) 16.150 51.245 ( -10.186 0.000 0.000) 10.186 91.349 ( 0.005 0.000 0.000) 0.005 91.358 ( -0.461 0.000 0.000) 0.461 91.404 ( 0.999 0.000 0.000) 0.999 91.462 ( 2.453 0.000 0.000) 2.453 91.462 ( -1.947 0.000 0.000) 1.947 91.538 ( -0.888 0.000 0.000) 0.888 91.635 ( 3.583 0.000 0.000) 3.583 91.713 ( 0.696 0.000 0.000) 0.696 93.185 ( 5.345 0.000 0.000) 5.345 93.494 ( -9.169 0.000 0.000) 9.169 93.684 ( 6.813 0.000 0.000) 6.813 94.026 ( -8.352 0.000 0.000) 8.352 94.233 ( 2.625 0.000 0.000) 2.625 94.345 ( -1.983 0.000 0.000) 1.983 94.547 ( 7.649 0.000 0.000) 7.649 94.849 ( -6.185 0.000 0.000) 6.185 ======================= Grid point 55 (32/128) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -10.770 0.000 0.000) 10.770 2.207 ( 10.770 0.000 0.000) 10.770 2.500 ( -4.492 0.000 0.000) 4.492 2.500 ( 4.492 0.000 0.000) 4.492 2.772 ( -0.435 0.000 0.000) 0.435 2.772 ( 0.435 0.000 0.000) 0.435 3.064 ( -4.307 0.000 0.000) 4.307 3.064 ( 4.307 0.000 0.000) 4.307 3.290 ( -3.120 0.000 0.000) 3.120 3.290 ( 3.120 0.000 0.000) 3.120 3.348 ( -0.928 -0.000 0.000) 0.928 3.348 ( 0.928 0.000 0.000) 0.928 3.655 ( -1.459 -0.000 0.000) 1.459 3.655 ( 1.459 0.000 0.000) 1.459 3.946 ( -21.118 -0.000 0.000) 21.118 3.946 ( 21.118 0.000 0.000) 21.118 4.046 ( -5.520 0.000 0.000) 5.520 4.046 ( 5.520 -0.000 0.000) 5.520 6.245 ( -0.415 0.001 0.000) 0.415 6.245 ( 0.415 0.001 0.000) 0.415 6.248 ( -5.695 -0.001 0.000) 5.695 6.248 ( 5.695 -0.001 0.000) 5.695 7.031 ( -3.911 0.000 0.000) 3.911 7.031 ( 3.911 0.000 0.000) 3.911 7.218 ( -1.378 0.000 0.000) 1.378 7.218 ( 1.378 0.000 0.000) 1.378 7.867 ( -19.153 0.000 0.000) 19.153 7.867 ( 19.153 0.000 0.000) 19.153 8.133 ( -1.571 0.000 0.000) 1.571 8.133 ( 1.571 0.000 0.000) 1.571 8.266 ( -1.903 -0.000 0.000) 1.903 8.266 ( 1.903 0.000 0.000) 1.903 15.094 ( -2.245 0.000 0.000) 2.245 15.094 ( 2.245 0.000 0.000) 2.245 15.385 ( -3.485 0.000 0.000) 3.485 15.385 ( 3.485 0.000 0.000) 3.485 15.664 ( -6.552 -0.000 0.000) 6.552 15.664 ( 6.552 0.000 0.000) 6.552 15.699 ( -2.484 0.000 0.000) 2.484 15.699 ( 2.484 0.000 0.000) 2.484 15.938 ( -2.118 0.000 0.000) 2.118 15.938 ( 2.118 0.000 0.000) 2.118 16.110 ( -1.024 0.000 0.000) 1.024 16.110 ( 1.024 0.000 0.000) 1.024 18.876 ( -0.594 0.000 0.000) 0.594 18.876 ( 0.594 0.000 0.000) 0.594 19.139 ( -3.768 0.000 0.000) 3.768 19.139 ( 3.768 0.000 0.000) 3.768 33.912 ( -1.295 0.000 0.000) 1.295 33.912 ( 1.295 0.000 0.000) 1.295 34.882 ( -0.141 0.000 0.000) 0.141 34.882 ( 0.141 0.000 0.000) 0.141 35.869 ( -3.290 0.000 0.000) 3.290 35.869 ( 3.290 0.000 0.000) 3.290 37.197 ( -3.083 0.000 0.000) 3.083 37.197 ( 3.083 0.000 0.000) 3.083 43.102 ( -20.166 0.000 0.000) 20.166 43.102 ( 20.166 0.000 0.000) 20.166 43.734 ( -0.312 0.000 0.000) 0.312 43.734 ( 0.312 0.000 0.000) 0.312 43.795 ( -9.434 0.000 0.000) 9.434 43.795 ( 9.434 -0.000 0.000) 9.434 43.893 ( -2.889 0.000 0.000) 2.889 43.893 ( 2.889 0.000 0.000) 2.889 44.123 ( -11.119 0.000 0.000) 11.119 44.123 ( 11.119 0.000 0.000) 11.119 44.175 ( -5.602 0.000 0.000) 5.602 44.175 ( 5.602 0.000 0.000) 5.602 48.462 ( -8.529 0.000 0.000) 8.529 48.462 ( 8.529 0.000 0.000) 8.529 49.433 ( -4.429 0.000 0.000) 4.429 49.433 ( 4.429 0.000 0.000) 4.429 50.131 ( -5.213 0.000 0.000) 5.213 50.131 ( 5.213 0.000 0.000) 5.213 50.476 ( -10.480 0.000 0.000) 10.480 50.476 ( 10.480 0.000 0.000) 10.480 50.644 ( -22.028 0.000 0.000) 22.028 50.644 ( 22.028 0.000 0.000) 22.028 51.056 ( -9.095 0.000 0.000) 9.095 51.056 ( 9.095 0.000 0.000) 9.095 91.351 ( -0.195 0.000 0.000) 0.195 91.351 ( 0.195 0.000 0.000) 0.195 91.429 ( -1.430 0.000 0.000) 1.430 91.429 ( 1.430 0.000 0.000) 1.430 91.509 ( -2.061 0.000 0.000) 2.061 91.509 ( 2.061 0.000 0.000) 2.061 91.696 ( -2.213 0.000 0.000) 2.213 91.696 ( 2.213 0.000 0.000) 2.213 93.319 ( -8.016 0.000 0.000) 8.016 93.319 ( 8.016 0.000 0.000) 8.016 93.847 ( -9.061 0.000 0.000) 9.061 93.847 ( 9.061 0.000 0.000) 9.061 94.291 ( -3.020 0.000 0.000) 3.020 94.291 ( 3.020 0.000 0.000) 3.020 94.706 ( -7.850 0.000 0.000) 7.850 94.706 ( 7.850 0.000 0.000) 7.850 ======================= Grid point 105 (33/128) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 0.000 22.254) 22.254 0.673 ( 0.000 0.000 31.583) 31.583 1.253 ( 0.000 0.000 56.242) 56.242 2.155 ( 0.000 0.000 6.876) 6.876 2.176 ( 0.000 0.000 -4.632) 4.632 2.480 ( 0.000 0.000 -5.505) 5.505 2.487 ( 0.000 0.000 -2.574) 2.574 2.631 ( 0.000 0.000 2.342) 2.342 2.896 ( 0.000 0.000 0.982) 0.982 2.988 ( 0.000 0.000 10.256) 10.256 3.040 ( 0.000 0.000 2.636) 2.636 3.152 ( 0.000 0.000 0.852) 0.852 3.165 ( 0.000 0.000 -3.862) 3.862 3.165 ( 0.000 0.000 1.103) 1.103 3.219 ( 0.000 0.000 -2.629) 2.629 3.645 ( 0.000 0.000 0.382) 0.382 3.750 ( 0.000 0.000 -3.998) 3.998 5.547 ( 0.000 0.000 6.931) 6.931 5.959 ( 0.000 0.000 -23.780) 23.780 6.546 ( 0.000 0.000 1.411) 1.411 6.556 ( 0.000 0.000 -8.680) 8.680 6.687 ( 0.000 0.000 7.981) 7.981 6.836 ( 0.000 0.000 -3.497) 3.497 7.199 ( 0.000 0.000 2.709) 2.709 7.252 ( 0.000 0.000 0.955) 0.955 7.264 ( 0.000 0.000 1.252) 1.252 7.437 ( 0.000 0.000 -16.183) 16.183 7.984 ( 0.000 0.000 1.757) 1.757 7.990 ( 0.000 0.000 2.366) 2.366 8.424 ( 0.000 0.000 -4.600) 4.600 8.749 ( 0.000 0.000 18.727) 18.727 10.329 ( 0.000 0.000 -7.459) 7.459 15.345 ( 0.000 0.000 0.761) 0.761 15.509 ( 0.000 0.000 -1.590) 1.590 15.550 ( 0.000 0.000 0.829) 0.829 15.676 ( 0.000 0.000 -0.985) 0.985 15.700 ( 0.000 0.000 1.899) 1.899 15.870 ( 0.000 0.000 2.504) 2.504 15.926 ( 0.000 0.000 -1.450) 1.450 16.089 ( 0.000 0.000 1.429) 1.429 16.217 ( 0.000 0.000 -2.600) 2.600 16.281 ( 0.000 0.000 -1.342) 1.342 16.592 ( 0.000 0.000 1.257) 1.257 16.761 ( 0.000 0.000 -1.212) 1.212 18.966 ( 0.000 0.000 -0.332) 0.332 19.011 ( 0.000 0.000 -1.450) 1.450 19.024 ( 0.000 0.000 0.710) 0.710 19.168 ( 0.000 0.000 -1.332) 1.332 33.549 ( 0.000 0.000 3.453) 3.453 33.708 ( 0.000 0.000 0.657) 0.657 34.162 ( 0.000 0.000 -0.375) 0.375 34.222 ( 0.000 0.000 -1.114) 1.114 35.759 ( 0.000 0.000 0.008) 0.008 35.780 ( 0.000 0.000 -0.319) 0.319 36.872 ( 0.000 0.000 0.162) 0.162 36.878 ( 0.000 0.000 -0.049) 0.049 42.366 ( 0.000 0.000 -0.390) 0.390 42.379 ( 0.000 0.000 6.038) 6.038 42.444 ( 0.000 0.000 -1.276) 1.276 42.556 ( 0.000 0.000 3.922) 3.922 42.775 ( 0.000 0.000 0.713) 0.713 42.862 ( 0.000 0.000 -0.057) 0.057 43.071 ( 0.000 0.000 -0.179) 0.179 43.308 ( 0.000 0.000 -4.104) 4.104 43.608 ( 0.000 0.000 -2.728) 2.728 43.614 ( 0.000 0.000 -3.859) 3.859 43.846 ( 0.000 0.000 1.518) 1.518 44.057 ( 0.000 0.000 -1.005) 1.005 50.111 ( 0.000 0.000 12.106) 12.106 50.169 ( 0.000 0.000 -0.128) 0.128 50.607 ( 0.000 0.000 -3.168) 3.168 50.766 ( 0.000 0.000 18.770) 18.770 51.457 ( 0.000 0.000 18.867) 18.867 51.511 ( 0.000 0.000 -8.724) 8.724 51.539 ( 0.000 0.000 -3.981) 3.981 51.816 ( 0.000 0.000 1.450) 1.450 52.006 ( 0.000 0.000 -1.344) 1.344 54.186 ( 0.000 0.000 9.346) 9.346 55.319 ( 0.000 0.000 -7.074) 7.074 55.806 ( 0.000 0.000 -37.346) 37.346 91.375 ( 0.000 0.000 2.015) 2.015 91.422 ( 0.000 0.000 0.100) 0.100 91.549 ( 0.000 0.000 0.349) 0.349 91.555 ( 0.000 0.000 -0.113) 0.113 91.719 ( 0.000 0.000 2.390) 2.390 91.918 ( 0.000 0.000 -1.216) 1.216 91.931 ( 0.000 0.000 1.829) 1.829 92.214 ( 0.000 0.000 -2.394) 2.394 93.230 ( 0.000 0.000 0.598) 0.598 93.292 ( 0.000 0.000 -0.105) 0.105 93.482 ( 0.000 0.000 5.750) 5.750 94.260 ( 0.000 0.000 4.312) 4.312 94.277 ( 0.000 0.000 -5.403) 5.403 94.937 ( 0.000 0.000 0.521) 0.521 94.939 ( 0.000 0.000 -5.348) 5.348 94.991 ( 0.000 0.000 -0.450) 0.450 ======================= Grid point 106 (34/128) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 6.869 0.000 29.427) 30.218 0.835 ( 21.470 0.000 18.072) 28.064 1.578 ( 28.215 0.000 35.684) 45.491 2.023 ( -8.825 0.000 7.691) 11.707 2.207 ( -1.482 0.000 3.641) 3.931 2.426 ( -2.773 0.000 -11.505) 11.834 2.556 ( 5.048 0.000 -2.773) 5.760 2.616 ( 0.766 0.000 1.293) 1.502 2.837 ( -2.181 0.000 0.007) 2.181 2.932 ( -3.013 0.000 9.311) 9.786 3.028 ( 1.005 0.000 6.333) 6.413 3.096 ( -1.590 0.000 -2.102) 2.636 3.247 ( 6.073 0.000 -2.367) 6.518 3.336 ( 11.041 0.000 2.607) 11.345 3.345 ( 6.321 0.000 -7.381) 9.718 3.624 ( 1.092 0.000 1.842) 2.142 3.777 ( -0.271 0.000 0.962) 0.999 5.393 ( -16.476 0.000 8.266) 18.433 5.976 ( 1.690 0.000 -22.516) 22.579 6.463 ( -5.753 0.000 1.557) 5.960 6.510 ( -5.756 0.000 -3.720) 6.854 6.610 ( -9.774 0.000 3.563) 10.404 6.783 ( -2.665 0.000 5.629) 6.228 6.960 ( 8.817 0.000 1.256) 8.906 7.223 ( -2.692 0.000 -2.085) 3.405 7.431 ( -0.743 0.000 -14.501) 14.520 7.786 ( 16.317 0.000 -13.825) 21.386 7.981 ( -0.202 0.000 0.564) 0.599 7.986 ( 0.121 0.000 3.643) 3.645 8.483 ( -0.966 0.000 14.605) 14.637 8.763 ( 6.941 0.000 0.842) 6.991 10.069 ( -17.168 0.000 -0.535) 17.176 15.357 ( 1.163 0.000 0.782) 1.401 15.517 ( 0.584 0.000 -1.418) 1.533 15.533 ( -1.342 0.000 0.735) 1.530 15.660 ( -1.381 0.000 -0.917) 1.658 15.716 ( 1.326 0.000 1.772) 2.214 15.857 ( -1.164 0.000 2.041) 2.350 15.952 ( 2.369 0.000 -1.185) 2.649 16.121 ( 3.052 0.000 1.311) 3.322 16.201 ( -1.559 0.000 -2.397) 2.860 16.317 ( 3.300 0.000 -1.517) 3.632 16.549 ( -3.654 0.000 1.529) 3.961 16.727 ( -3.257 0.000 -1.244) 3.486 18.963 ( -0.244 0.000 -0.454) 0.516 19.001 ( -0.787 0.000 -0.504) 0.934 19.005 ( -0.523 0.000 -1.550) 1.636 19.143 ( -2.402 0.000 -1.460) 2.811 33.546 ( -0.302 0.000 3.459) 3.472 33.595 ( -5.392 0.000 6.887) 8.747 34.163 ( 0.111 0.000 -0.401) 0.416 34.199 ( -1.047 0.000 -0.060) 1.049 35.818 ( 3.503 0.000 -0.326) 3.518 35.937 ( 8.615 0.000 -8.380) 12.019 36.819 ( -3.271 0.000 3.726) 4.958 36.859 ( -1.162 0.000 0.307) 1.202 42.366 ( -1.135 0.000 5.743) 5.854 42.383 ( -0.385 0.000 1.782) 1.824 42.514 ( 6.675 0.000 -1.276) 6.795 42.573 ( 1.642 0.000 4.107) 4.423 42.749 ( -1.314 0.000 2.981) 3.258 43.032 ( 11.489 0.000 -9.318) 14.793 43.116 ( 4.409 0.000 -0.392) 4.426 43.248 ( -5.703 0.000 -2.932) 6.412 43.586 ( -1.855 0.000 -4.306) 4.689 43.588 ( -2.012 0.000 -2.609) 3.295 43.819 ( -2.470 0.000 1.120) 2.712 43.905 ( -9.651 0.000 6.205) 11.473 49.904 ( -31.143 0.000 57.899) 65.743 50.067 ( -4.301 0.000 12.362) 13.089 50.382 ( 19.839 0.000 -0.309) 19.842 50.701 ( 9.060 0.000 -2.981) 9.538 51.364 ( 1.873 0.000 3.650) 4.103 51.554 ( 1.473 0.000 -3.943) 4.210 51.621 ( 0.343 0.000 4.923) 4.935 51.779 ( -3.631 0.000 1.430) 3.903 51.980 ( -4.970 0.000 1.867) 5.309 53.879 ( -29.436 0.000 9.810) 31.028 55.936 ( 12.381 0.000 -36.766) 38.795 56.485 ( 46.838 0.000 -72.294) 86.141 91.381 ( 0.459 0.000 2.328) 2.373 91.441 ( 1.688 0.000 0.070) 1.689 91.474 ( -4.265 0.000 5.419) 6.896 91.548 ( -0.156 0.000 0.271) 0.313 91.732 ( 1.570 0.000 2.260) 2.751 91.918 ( -1.214 0.000 1.815) 2.184 91.936 ( 1.772 0.000 -1.227) 2.156 92.192 ( -2.173 0.000 -2.248) 3.126 93.301 ( 6.949 0.000 0.855) 7.002 93.490 ( 10.162 0.000 -5.223) 11.425 93.494 ( 1.245 0.000 5.895) 6.025 94.114 ( -6.974 0.000 0.470) 6.990 94.357 ( 2.364 0.000 2.794) 3.660 94.901 ( -1.526 0.000 -3.479) 3.798 94.930 ( -2.784 0.000 -2.776) 3.931 94.943 ( -2.784 0.000 -3.508) 4.479 ======================= Grid point 107 (35/128) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 12.909 0.000 25.689) 28.750 1.186 ( 13.611 0.000 27.319) 30.521 1.693 ( -9.767 0.000 3.890) 10.513 2.018 ( -14.547 0.000 9.857) 17.572 2.201 ( 13.481 0.000 4.940) 14.358 2.385 ( -2.886 0.000 -11.672) 12.024 2.693 ( 7.827 0.000 2.938) 8.360 2.727 ( 6.879 0.000 0.525) 6.899 2.872 ( 5.067 0.000 -1.716) 5.350 2.920 ( 2.916 0.000 3.786) 4.779 3.077 ( 0.298 0.000 -0.930) 0.977 3.165 ( 15.833 0.000 4.467) 16.451 3.360 ( -4.547 0.000 -9.766) 10.773 3.361 ( 4.806 0.000 -3.978) 6.238 3.556 ( 9.976 0.000 2.599) 10.310 3.696 ( 3.763 0.000 3.244) 4.968 3.762 ( 2.130 0.000 11.166) 11.367 4.876 ( -34.023 0.000 11.882) 36.038 6.030 ( 3.895 0.000 -18.622) 19.025 6.309 ( -10.403 0.000 -4.602) 11.376 6.402 ( -0.021 0.000 1.672) 1.672 6.503 ( -3.358 0.000 1.214) 3.570 6.853 ( 6.674 0.000 -5.754) 8.812 7.144 ( -5.395 0.000 -7.459) 9.206 7.147 ( 9.205 0.000 2.690) 9.590 7.400 ( -2.680 0.000 -9.505) 9.876 7.931 ( 1.401 0.000 -2.264) 2.662 7.975 ( -0.601 0.000 -0.401) 0.723 8.038 ( 4.759 0.000 3.757) 6.064 8.324 ( -10.825 0.000 24.018) 26.344 9.052 ( 18.092 0.000 -9.643) 20.501 9.746 ( -15.835 0.000 -5.470) 16.753 15.389 ( 2.050 0.000 0.816) 2.206 15.487 ( -2.474 0.000 0.740) 2.582 15.547 ( 1.653 0.000 -1.262) 2.080 15.626 ( -1.964 0.000 -1.058) 2.231 15.749 ( 1.915 0.000 1.749) 2.593 15.827 ( -1.743 0.000 1.733) 2.458 16.012 ( 3.499 0.000 -1.294) 3.730 16.151 ( -2.713 0.000 -2.225) 3.509 16.211 ( 5.138 0.000 1.363) 5.316 16.399 ( 3.781 0.000 -1.667) 4.132 16.461 ( -4.124 0.000 1.563) 4.410 16.639 ( -5.335 0.000 -1.263) 5.482 18.963 ( 0.375 0.000 -1.520) 1.566 18.992 ( -0.795 0.000 -1.800) 1.968 19.002 ( 0.765 0.000 -1.481) 1.667 19.085 ( -3.072 0.000 -1.619) 3.472 33.538 ( -1.086 0.000 5.379) 5.488 33.538 ( -0.428 0.000 3.592) 3.617 34.167 ( 0.265 0.000 -0.451) 0.523 34.184 ( -0.576 0.000 -0.344) 0.670 35.904 ( 4.676 0.000 -0.659) 4.722 36.019 ( 0.513 0.000 -4.839) 4.867 36.786 ( -0.285 0.000 3.005) 3.018 36.829 ( -1.701 0.000 0.760) 1.863 42.342 ( -1.026 0.000 5.381) 5.478 42.355 ( -1.701 0.000 4.362) 4.682 42.614 ( 2.583 0.000 4.042) 4.797 42.693 ( 10.390 0.000 -1.483) 10.495 42.716 ( -2.059 0.000 3.698) 4.233 43.099 ( -8.539 0.000 -4.368) 9.591 43.232 ( 7.938 0.000 -5.960) 9.927 43.235 ( 6.923 0.000 -1.156) 7.019 43.528 ( -3.765 0.000 -2.074) 4.299 43.549 ( -2.681 0.000 -3.925) 4.753 43.753 ( -5.098 0.000 4.405) 6.737 43.761 ( -2.969 0.000 0.144) 2.973 49.672 ( 0.960 0.000 33.905) 33.918 49.946 ( -7.591 0.000 13.970) 15.899 50.916 ( 28.960 0.000 -4.167) 29.259 50.936 ( 13.285 0.000 -3.239) 13.674 51.431 ( 3.884 0.000 0.821) 3.970 51.596 ( 2.433 0.000 -3.854) 4.558 51.643 ( 5.532 0.000 14.181) 15.222 51.681 ( -5.579 0.000 1.452) 5.765 51.841 ( -7.561 0.000 3.167) 8.198 53.094 ( -46.534 0.000 13.179) 48.364 56.261 ( 18.943 0.000 -37.495) 42.008 56.850 ( -1.615 0.000 -54.975) 54.999 91.390 ( 0.388 0.000 3.062) 3.086 91.418 ( -1.617 0.000 4.980) 5.236 91.481 ( 2.002 0.000 0.261) 2.019 91.540 ( -0.738 0.000 0.169) 0.757 91.776 ( 2.662 0.000 2.002) 3.331 91.883 ( -2.226 0.000 1.812) 2.870 91.986 ( 3.157 0.000 -1.333) 3.427 92.133 ( -3.560 0.000 -1.920) 4.044 93.483 ( 9.086 0.000 1.503) 9.209 93.539 ( 4.669 0.000 5.986) 7.592 93.586 ( 0.603 0.000 2.272) 2.351 93.967 ( -8.979 0.000 0.749) 9.010 94.434 ( 6.427 0.000 1.209) 6.540 94.792 ( -8.818 0.000 -1.007) 8.875 94.895 ( 0.530 0.000 -7.152) 7.171 94.927 ( -0.697 0.000 -6.415) 6.453 ======================= Grid point 108 (36/128) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -4.800 0.000 27.044) 27.467 1.208 ( 4.800 0.000 27.044) 27.467 1.717 ( -13.067 0.000 5.749) 14.276 1.717 ( 13.067 0.000 5.749) 14.276 2.324 ( -2.467 0.000 -6.765) 7.201 2.324 ( 2.467 0.000 -6.765) 7.201 2.772 ( -0.330 0.000 5.527) 5.537 2.772 ( 0.330 0.000 5.527) 5.537 2.955 ( -1.895 0.000 -1.607) 2.485 2.955 ( 1.895 0.000 -1.607) 2.485 3.195 ( -10.354 0.000 -5.169) 11.572 3.195 ( 10.354 0.000 -5.169) 11.572 3.410 ( -0.756 0.000 -6.284) 6.329 3.410 ( 0.756 0.000 -6.284) 6.329 3.698 ( -3.412 0.000 2.803) 4.416 3.698 ( 3.412 0.000 2.803) 4.416 4.138 ( -34.481 0.000 18.267) 39.020 4.138 ( 34.481 0.000 18.267) 39.020 6.137 ( -4.587 0.000 -12.367) 13.190 6.137 ( 4.587 0.000 -12.367) 13.190 6.438 ( -2.739 0.000 1.633) 3.189 6.438 ( 2.739 0.000 1.633) 3.189 7.008 ( -6.496 0.000 -9.892) 11.834 7.008 ( 6.496 0.000 -9.892) 11.834 7.309 ( -4.824 0.000 -1.533) 5.062 7.309 ( 4.824 0.000 -1.533) 5.062 7.953 ( -0.831 0.000 0.746) 1.117 7.953 ( 0.831 0.000 0.746) 1.117 8.144 ( -2.890 0.000 14.084) 14.378 8.144 ( 2.890 0.000 14.084) 14.378 9.414 ( -17.557 0.000 -8.792) 19.636 9.414 ( 17.557 0.000 -8.792) 19.636 15.436 ( -2.226 0.000 0.818) 2.371 15.436 ( 2.226 0.000 0.818) 2.371 15.585 ( -1.601 0.000 -1.184) 1.991 15.585 ( 1.601 0.000 -1.184) 1.991 15.789 ( -2.013 0.000 1.688) 2.627 15.789 ( 2.013 0.000 1.688) 2.627 16.085 ( -3.639 0.000 -1.738) 4.033 16.085 ( 3.639 0.000 -1.738) 4.033 16.328 ( -6.154 0.000 1.072) 6.247 16.328 ( 6.154 0.000 1.072) 6.247 16.524 ( -5.835 0.000 -1.105) 5.939 16.524 ( 5.835 0.000 -1.105) 5.939 18.976 ( -0.501 0.000 -1.956) 2.019 18.976 ( 0.501 0.000 -1.956) 2.019 19.031 ( -1.985 0.000 -1.607) 2.554 19.031 ( 1.985 0.000 -1.607) 2.554 33.531 ( -0.121 0.000 4.105) 4.107 33.531 ( 0.121 0.000 4.105) 4.107 34.174 ( -0.157 0.000 -0.461) 0.486 34.174 ( 0.157 0.000 -0.461) 0.486 35.987 ( -3.203 0.000 -1.919) 3.734 35.987 ( 3.203 0.000 -1.919) 3.734 36.798 ( -0.802 0.000 1.612) 1.801 36.798 ( 0.802 0.000 1.612) 1.801 42.333 ( -0.032 0.000 5.083) 5.083 42.333 ( 0.032 0.000 5.083) 5.083 42.668 ( -2.031 0.000 4.075) 4.553 42.668 ( 2.031 0.000 4.075) 4.553 42.907 ( -10.488 0.000 -2.747) 10.842 42.907 ( 10.488 0.000 -2.747) 10.842 43.336 ( -0.006 0.000 -4.003) 4.003 43.336 ( 0.006 0.000 -4.003) 4.003 43.478 ( -0.742 0.000 -0.800) 1.091 43.478 ( 0.742 0.000 -0.800) 1.091 43.717 ( -0.387 0.000 0.268) 0.471 43.717 ( 0.387 0.000 0.268) 0.471 49.782 ( -8.088 0.000 19.556) 21.163 49.782 ( 8.088 0.000 19.556) 21.163 51.160 ( -4.794 0.000 -7.108) 8.574 51.160 ( 4.794 0.000 -7.108) 8.574 51.535 ( -6.847 0.000 0.386) 6.858 51.535 ( 6.847 0.000 0.386) 6.858 51.687 ( -4.930 0.000 -2.342) 5.458 51.687 ( 4.930 0.000 -2.342) 5.458 52.156 ( -42.688 0.000 21.170) 47.649 52.156 ( 42.688 0.000 21.170) 47.649 56.635 ( -6.564 0.000 -42.404) 42.909 56.635 ( 6.564 0.000 -42.404) 42.909 91.398 ( -0.512 0.000 3.962) 3.995 91.398 ( 0.512 0.000 3.962) 3.995 91.517 ( -1.022 0.000 0.189) 1.040 91.517 ( 1.022 0.000 0.189) 1.040 91.832 ( -2.329 0.000 1.861) 2.981 91.832 ( 2.329 0.000 1.861) 2.981 92.057 ( -2.488 0.000 -1.576) 2.946 92.057 ( 2.488 0.000 -1.576) 2.946 93.563 ( -0.189 0.000 4.947) 4.950 93.563 ( 0.189 0.000 4.947) 4.950 93.750 ( -6.285 0.000 2.264) 6.680 93.750 ( 6.285 0.000 2.264) 6.680 94.602 ( -5.584 0.000 -0.974) 5.668 94.602 ( 5.584 0.000 -0.974) 5.668 94.911 ( -0.028 0.000 -7.189) 7.189 94.911 ( 0.028 0.000 -7.189) 7.189 ======================= Grid point 112 (37/128) ======================= q-point: ( 0.00 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 0.000 15.003 16.879) 22.583 0.795 ( 0.000 16.457 20.285) 26.121 1.572 ( 0.000 24.495 40.040) 46.938 2.180 ( 0.000 1.923 -3.593) 4.075 2.246 ( 0.000 7.198 3.622) 8.058 2.493 ( 0.000 0.860 -1.861) 2.050 2.503 ( 0.000 2.549 -4.463) 5.140 2.655 ( 0.000 2.266 -0.635) 2.353 2.911 ( 0.000 1.383 0.976) 1.693 2.990 ( 0.000 0.075 9.489) 9.489 3.056 ( 0.000 1.531 2.142) 2.633 3.151 ( 0.000 -0.968 2.688) 2.857 3.161 ( 0.000 0.971 -2.500) 2.682 3.198 ( 0.000 4.474 2.200) 4.986 3.274 ( 0.000 4.166 -2.740) 4.987 3.625 ( 0.000 -1.383 2.081) 2.498 3.760 ( 0.000 0.961 -3.846) 3.965 5.559 ( 0.000 1.132 6.654) 6.750 5.933 ( 0.000 -5.138 -24.862) 25.388 6.519 ( 0.000 -3.426 -7.004) 7.797 6.557 ( 0.000 0.718 0.583) 0.925 6.721 ( 0.000 -1.359 9.868) 9.961 6.833 ( 0.000 -0.254 -3.179) 3.189 6.904 ( 0.000 -2.534 4.324) 5.012 7.195 ( 0.000 -3.133 1.961) 3.696 7.315 ( 0.000 2.559 -0.591) 2.626 7.815 ( 0.000 12.905 -17.229) 21.526 7.980 ( 0.000 -0.257 1.642) 1.661 7.995 ( 0.000 0.422 2.218) 2.258 8.357 ( 0.000 -5.916 -3.509) 6.878 8.615 ( 0.000 -11.715 18.546) 21.936 10.271 ( 0.000 -5.503 -13.310) 14.403 15.357 ( 0.000 1.248 0.824) 1.495 15.539 ( 0.000 2.843 -1.770) 3.349 15.558 ( 0.000 0.980 1.000) 1.400 15.666 ( 0.000 -3.340 1.978) 3.882 15.710 ( 0.000 3.163 -1.246) 3.400 15.835 ( 0.000 -3.411 2.474) 4.214 15.892 ( 0.000 -3.420 -1.392) 3.693 16.054 ( 0.000 -3.475 1.456) 3.768 16.180 ( 0.000 -3.759 -2.579) 4.559 16.249 ( 0.000 -3.228 -1.352) 3.500 16.559 ( 0.000 -3.076 1.612) 3.473 16.731 ( 0.000 -2.937 -1.202) 3.173 18.960 ( 0.000 -0.526 -0.561) 0.769 19.002 ( 0.000 -0.529 -1.482) 1.573 19.037 ( 0.000 0.929 0.807) 1.230 19.154 ( 0.000 -1.419 -0.876) 1.668 33.569 ( 0.000 1.910 4.097) 4.520 33.630 ( 0.000 -1.725 5.680) 5.936 34.238 ( 0.000 5.232 -0.761) 5.287 34.441 ( 0.000 13.500 -10.944) 17.379 35.754 ( 0.000 -0.452 0.083) 0.460 35.785 ( 0.000 0.511 -0.384) 0.639 36.804 ( 0.000 -1.471 3.678) 3.961 36.966 ( 0.000 3.911 -3.375) 5.166 42.373 ( 0.000 1.879 -0.161) 1.886 42.449 ( 0.000 6.521 3.783) 7.539 42.511 ( 0.000 3.858 -1.445) 4.119 42.572 ( 0.000 3.405 3.852) 5.141 42.828 ( 0.000 5.370 1.373) 5.543 42.890 ( 0.000 2.830 0.094) 2.831 43.099 ( 0.000 2.843 -0.013) 2.843 43.333 ( 0.000 2.472 -4.124) 4.808 43.603 ( 0.000 -0.714 -2.910) 2.997 43.652 ( 0.000 4.106 -2.614) 4.868 43.881 ( 0.000 3.501 1.522) 3.818 44.004 ( 0.000 -2.387 6.489) 6.914 49.983 ( 0.000 -14.366 25.949) 29.661 50.159 ( 0.000 -0.996 -0.212) 1.018 50.576 ( 0.000 -3.035 -2.952) 4.234 50.730 ( 0.000 -3.649 17.525) 17.901 51.274 ( 0.000 -42.082 22.340) 47.644 51.372 ( 0.000 -8.421 18.195) 20.050 51.481 ( 0.000 -5.787 -3.953) 7.008 51.699 ( 0.000 -13.812 10.020) 17.064 51.925 ( 0.000 -15.203 6.638) 16.589 52.041 ( 0.000 -51.564 59.484) 78.722 55.482 ( 0.000 -31.969 -35.064) 47.450 55.634 ( 0.000 -18.323 -28.763) 34.104 91.368 ( 0.000 -0.587 1.582) 1.687 91.432 ( 0.000 0.859 0.018) 0.859 91.548 ( 0.000 -0.157 0.120) 0.198 91.554 ( 0.000 -0.087 0.017) 0.089 91.691 ( 0.000 -2.584 2.310) 3.466 91.772 ( 0.000 -17.231 13.466) 21.869 91.899 ( 0.000 -1.846 -1.253) 2.231 92.081 ( 0.000 -11.636 5.338) 12.802 92.396 ( 0.000 -6.440 16.827) 18.017 93.515 ( 0.000 3.176 5.715) 6.539 93.817 ( 0.000 3.853 -20.593) 20.950 94.274 ( 0.000 -0.348 -5.024) 5.036 94.325 ( 0.000 -1.119 4.893) 5.019 94.704 ( 0.000 -0.267 -10.290) 10.294 94.976 ( 0.000 -1.203 1.990) 2.325 95.438 ( 0.000 14.555 -1.940) 14.683 ======================= Grid point 113 (38/128) ======================= q-point: ( 0.17 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 6.136 15.541 17.787) 24.404 1.008 ( 23.942 12.234 10.806) 28.977 1.770 ( 18.791 16.321 31.081) 39.819 2.081 ( -10.050 5.688 5.852) 12.946 2.260 ( 0.588 5.220 2.724) 5.918 2.438 ( -2.732 1.366 -9.841) 10.304 2.577 ( 4.511 2.064 -2.501) 5.555 2.635 ( 0.316 1.478 -0.071) 1.513 2.855 ( -1.290 1.958 -0.456) 2.388 2.949 ( -2.076 1.495 8.232) 8.620 3.068 ( 1.755 3.558 4.847) 6.264 3.115 ( -1.732 2.187 -0.815) 2.906 3.245 ( 5.328 0.010 -1.817) 5.630 3.328 ( 10.742 -0.500 1.532) 10.862 3.387 ( 5.771 4.011 -4.103) 8.138 3.619 ( 1.619 -0.373 2.392) 2.913 3.778 ( 0.232 0.415 1.476) 1.551 5.405 ( -16.378 1.047 7.985) 18.251 5.936 ( 0.715 -5.336 -22.290) 22.931 6.438 ( -8.322 -3.207 -0.932) 8.967 6.513 ( -3.542 0.900 -2.613) 4.493 6.591 ( -6.587 -0.905 3.714) 7.616 6.818 ( -1.300 4.150 1.914) 4.752 6.958 ( 8.653 0.112 2.111) 8.907 7.243 ( -1.113 0.587 -0.723) 1.451 7.378 ( 4.139 -2.360 -8.835) 10.038 7.883 ( 5.131 4.897 -12.489) 14.363 7.972 ( -1.376 -1.124 3.660) 4.068 7.982 ( -0.097 0.340 0.077) 0.362 8.412 ( -1.366 -6.532 17.795) 19.005 8.661 ( 9.681 -9.373 -2.152) 13.646 10.046 ( -17.243 -2.992 -7.515) 19.047 15.368 ( 1.108 1.206 0.843) 1.842 15.535 ( -1.276 1.211 -0.132) 1.764 15.554 ( 0.512 2.592 -0.574) 2.704 15.673 ( 0.254 -1.908 1.138) 2.236 15.701 ( -0.439 1.558 -0.341) 1.655 15.822 ( -1.134 -3.376 2.066) 4.117 15.918 ( 2.384 -3.396 -1.186) 4.315 16.087 ( 3.166 -3.333 1.346) 4.790 16.164 ( -1.539 -3.732 -2.406) 4.700 16.284 ( 3.316 -3.275 -1.452) 4.882 16.520 ( -3.559 -2.872 1.535) 4.824 16.698 ( -3.265 -2.940 -1.237) 4.564 18.961 ( 0.104 -0.361 -0.735) 0.825 18.997 ( -0.485 -0.296 -1.574) 1.674 19.013 ( -1.372 0.785 0.035) 1.581 19.129 ( -2.318 -1.304 -0.979) 2.834 33.565 ( -0.388 1.860 4.354) 4.750 33.595 ( -2.271 1.150 5.317) 5.895 34.235 ( -0.206 5.301 -0.806) 5.366 34.335 ( -5.742 11.759 -3.108) 13.450 35.820 ( 3.253 0.261 -0.377) 3.285 35.896 ( 8.129 -3.402 -5.074) 10.169 36.795 ( -0.620 -0.317 3.482) 3.551 36.922 ( -3.118 4.058 -0.993) 5.213 42.381 ( -0.293 2.337 2.174) 3.205 42.431 ( -0.715 4.499 3.877) 5.982 42.585 ( 4.479 3.908 0.621) 5.977 42.597 ( 3.478 4.951 2.103) 6.406 42.805 ( -1.209 5.520 2.870) 6.338 43.042 ( 10.768 1.332 -6.717) 12.761 43.147 ( 4.744 2.975 -0.885) 5.669 43.283 ( -4.713 3.509 -2.830) 6.521 43.581 ( -1.659 -0.106 -3.219) 3.623 43.634 ( -1.674 4.115 -2.776) 5.238 43.853 ( -2.607 3.335 1.196) 4.399 43.910 ( -7.172 1.111 6.850) 9.980 49.763 ( -20.952 -13.416 53.828) 59.300 50.029 ( -11.119 -4.143 14.385) 18.647 50.371 ( 17.888 -1.227 0.261) 17.932 50.681 ( 9.745 -2.106 -2.530) 10.286 51.270 ( 2.783 -9.573 3.217) 10.475 51.495 ( 1.357 -5.906 -3.978) 7.249 51.579 ( 0.586 -4.522 2.248) 5.084 51.688 ( -3.207 -9.887 2.389) 10.665 51.905 ( -5.956 -7.335 4.144) 10.317 52.864 ( 26.953 -71.696 22.429) 79.811 55.532 ( 7.047 -36.358 -36.618) 52.081 55.997 ( 28.236 -40.411 -34.599) 60.228 91.373 ( 0.410 -0.655 1.875) 2.028 91.450 ( 1.477 0.607 0.104) 1.600 91.459 ( -4.058 -1.399 5.359) 6.866 91.552 ( 0.014 0.311 0.316) 0.444 91.703 ( 1.455 -2.759 2.124) 3.774 91.844 ( 1.522 -7.643 2.442) 8.167 91.916 ( 1.604 -1.940 -1.352) 2.858 92.131 ( 1.128 -6.726 -0.963) 6.888 92.637 ( 21.163 -19.601 14.403) 32.242 93.512 ( -0.410 1.711 5.420) 5.698 93.875 ( 4.958 5.277 -16.638) 18.145 94.217 ( -4.893 6.123 -1.989) 8.086 94.322 ( -0.376 -4.036 3.778) 5.541 94.682 ( -1.746 -3.022 -11.671) 12.182 94.928 ( -4.605 -0.671 2.148) 5.126 95.302 ( -9.368 13.692 3.101) 16.877 ======================= Grid point 114 (39/128) ======================= q-point: ( 0.33 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 9.679 11.383 16.388) 22.178 1.392 ( 15.521 15.173 17.962) 28.174 1.789 ( -11.132 9.035 5.110) 15.220 2.082 ( -13.971 6.435 10.309) 18.517 2.218 ( 12.414 2.036 4.652) 13.413 2.418 ( -2.578 3.139 -10.606) 11.357 2.688 ( 6.515 0.201 1.999) 6.818 2.743 ( 7.240 0.948 -0.023) 7.302 2.903 ( 4.911 3.006 -1.828) 6.041 2.951 ( 3.148 2.809 3.771) 5.659 3.092 ( 0.177 1.475 -0.817) 1.696 3.198 ( 12.456 2.727 2.160) 12.933 3.313 ( -0.017 -2.614 -9.088) 9.456 3.429 ( 0.053 4.793 -3.755) 6.089 3.549 ( 10.177 -0.763 2.525) 10.514 3.697 ( 4.137 0.114 3.758) 5.590 3.788 ( 4.192 3.259 12.965) 14.010 4.902 ( -32.619 2.481 11.628) 34.718 5.969 ( 2.476 -6.490 -18.182) 19.463 6.262 ( -7.988 -3.330 -4.519) 9.764 6.449 ( -0.848 3.853 -0.130) 3.947 6.523 ( -2.384 1.804 0.020) 2.990 6.868 ( 5.495 1.579 -4.030) 6.995 7.121 ( 5.282 -1.628 2.084) 5.907 7.191 ( -2.004 2.984 -5.384) 6.474 7.403 ( -1.311 0.173 -7.348) 7.466 7.940 ( -1.148 -1.150 5.198) 5.446 7.964 ( 2.158 -4.604 -2.130) 5.513 7.981 ( -0.244 0.380 -0.945) 1.048 8.294 ( -6.828 -3.212 21.878) 23.143 8.975 ( 18.494 -7.492 -9.567) 22.128 9.698 ( -17.276 -4.756 -7.368) 19.374 15.399 ( 1.885 1.031 0.805) 2.295 15.495 ( -2.344 0.918 0.790) 2.638 15.576 ( 1.479 2.834 -1.359) 3.474 15.655 ( -1.639 2.449 -0.869) 3.072 15.717 ( 1.699 -2.863 1.687) 3.733 15.793 ( -1.726 -3.337 1.794) 4.163 15.978 ( 3.480 -3.392 -1.339) 5.041 16.116 ( -2.740 -3.537 -2.226) 4.997 16.178 ( 5.318 -3.228 1.362) 6.368 16.368 ( 4.056 -3.103 -1.647) 5.366 16.431 ( -4.392 -2.989 1.550) 5.534 16.609 ( -5.373 -2.977 -1.270) 6.272 18.965 ( 0.297 -0.051 -1.300) 1.335 18.988 ( -0.348 -0.317 -1.955) 2.011 18.999 ( 0.071 -0.065 -0.923) 0.928 19.074 ( -2.903 -1.002 -1.073) 3.253 33.556 ( -0.353 2.096 4.665) 5.127 33.566 ( -0.775 2.474 3.740) 4.550 34.231 ( -0.228 5.509 -0.893) 5.585 34.266 ( -1.728 8.019 -0.560) 8.223 35.899 ( 4.210 -0.428 -0.629) 4.278 35.988 ( 1.379 -2.814 -3.648) 4.809 36.792 ( 0.448 1.102 2.337) 2.622 36.866 ( -2.452 3.097 0.537) 3.986 42.363 ( -1.080 3.078 3.592) 4.852 42.411 ( -1.155 4.727 4.930) 6.927 42.645 ( 2.874 2.924 3.666) 5.500 42.744 ( 7.736 5.207 -0.358) 9.332 42.778 ( 0.004 5.950 2.886) 6.613 43.140 ( -7.743 4.022 -5.023) 10.069 43.223 ( 7.008 1.084 -2.083) 7.391 43.299 ( 7.947 4.511 -3.255) 9.701 43.538 ( -3.075 0.949 -1.534) 3.565 43.591 ( -2.649 3.973 -3.773) 6.086 43.774 ( -5.406 2.474 3.054) 6.684 43.794 ( -2.948 3.022 1.334) 4.427 49.582 ( 0.902 -9.052 32.323) 33.579 49.864 ( -8.356 -8.308 13.363) 17.816 50.813 ( 21.142 -7.251 -2.352) 22.474 50.963 ( 18.474 -0.038 -4.314) 18.971 51.349 ( 4.737 -8.757 1.235) 10.033 51.502 ( -1.717 -7.278 -0.482) 7.493 51.599 ( -4.150 -9.089 2.098) 10.209 51.616 ( 4.575 -4.788 3.908) 7.689 51.754 ( -6.816 -7.671 7.114) 12.487 52.735 ( -28.693 -31.103 10.365) 43.567 55.726 ( 10.302 -47.364 -41.925) 64.088 56.421 ( 11.351 -41.192 -30.673) 52.597 91.381 ( 0.315 -0.796 2.513) 2.654 91.406 ( -1.486 -1.106 4.611) 4.969 91.486 ( 1.791 0.481 -0.210) 1.866 91.549 ( -0.444 0.687 0.392) 0.907 91.743 ( 2.291 -3.207 1.643) 4.270 91.839 ( -1.358 -4.374 1.798) 4.920 91.960 ( 2.607 -2.426 -2.139) 4.155 92.113 ( -2.060 -2.031 -1.264) 3.157 93.046 ( 17.684 -18.638 7.249) 26.695 93.488 ( -2.547 -3.739 6.011) 7.523 93.960 ( 2.444 11.859 -5.866) 13.454 94.098 ( -6.220 12.391 1.713) 13.970 94.352 ( 4.403 -7.659 -2.622) 9.215 94.642 ( -2.764 -10.082 -14.250) 17.673 94.814 ( -5.770 1.794 3.002) 6.747 95.165 ( -4.119 8.878 4.055) 10.594 ======================= Grid point 115 (40/128) ======================= q-point: (-0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 7.522 16.625) 18.247 1.542 ( 0.000 18.826 21.054) 28.243 1.770 ( 0.000 5.377 4.760) 7.181 1.805 ( -0.000 8.612 8.610) 12.178 2.333 ( -0.000 2.183 -6.115) 6.493 2.370 ( 0.000 3.311 -6.174) 7.006 2.750 ( 0.000 -0.546 4.818) 4.848 2.807 ( 0.000 1.963 4.040) 4.491 2.973 ( 0.000 2.151 -1.174) 2.450 2.995 ( 0.000 3.314 -1.240) 3.538 3.186 ( 0.000 -0.288 -4.914) 4.923 3.216 ( -0.000 1.065 -6.579) 6.665 3.370 ( 0.000 -1.948 -5.315) 5.661 3.432 ( 0.000 -0.107 -5.450) 5.451 3.683 ( 0.000 -1.126 2.670) 2.898 3.714 ( 0.000 1.101 3.303) 3.481 4.125 ( 0.000 3.463 17.403) 17.744 4.261 ( -0.000 7.867 18.267) 19.888 6.009 ( 0.000 -8.747 -14.677) 17.086 6.165 ( -0.000 -0.728 -9.332) 9.361 6.461 ( -0.000 2.743 -1.089) 2.951 6.484 ( 0.000 3.682 1.493) 3.974 6.974 ( 0.000 -0.673 -5.538) 5.578 7.073 ( 0.000 2.998 -10.166) 10.599 7.253 ( 0.000 -2.278 -2.055) 3.068 7.362 ( 0.000 2.112 1.087) 2.375 7.925 ( 0.000 -4.830 11.576) 12.543 7.973 ( 0.000 1.206 -0.864) 1.483 7.986 ( 0.000 -5.643 -0.446) 5.660 8.220 ( 0.000 0.755 16.112) 16.130 9.335 ( 0.000 -7.340 -10.069) 12.461 9.356 ( -0.000 -5.962 -7.873) 9.876 15.433 ( -0.000 0.529 0.364) 0.642 15.456 ( 0.000 1.374 1.335) 1.916 15.601 ( -0.000 2.320 -1.743) 2.902 15.628 ( 0.000 3.282 -0.637) 3.344 15.754 ( 0.000 -3.340 1.684) 3.740 15.757 ( -0.000 -3.210 1.806) 3.683 16.048 ( 0.000 -3.583 -1.862) 4.038 16.053 ( -0.000 -3.335 -1.676) 3.733 16.297 ( 0.000 -3.091 1.093) 3.279 16.298 ( -0.000 -2.962 1.095) 3.158 16.493 ( 0.000 -3.069 -1.164) 3.282 16.494 ( -0.000 -3.094 -1.127) 3.293 18.969 ( 0.000 -0.199 -1.656) 1.668 18.983 ( 0.000 0.167 -2.046) 2.053 19.013 ( -0.000 -1.169 -1.666) 2.035 19.030 ( 0.000 -0.361 -0.577) 0.681 33.554 ( 0.000 2.405 3.902) 4.584 33.556 ( -0.000 2.377 3.937) 4.598 34.228 ( 0.000 5.635 -0.923) 5.711 34.250 ( 0.000 6.792 -0.286) 6.798 35.967 ( 0.000 -1.594 -1.664) 2.304 35.976 ( -0.000 -1.330 -1.541) 2.036 36.805 ( 0.000 1.578 1.044) 1.892 36.833 ( -0.000 2.605 1.602) 3.058 42.350 ( 0.000 3.239 3.779) 4.977 42.397 ( 0.000 4.991 5.286) 7.270 42.688 ( -0.000 2.983 3.240) 4.404 42.737 ( 0.000 5.625 4.705) 7.333 42.950 ( 0.000 4.675 -2.789) 5.443 42.963 ( -0.000 5.264 -2.425) 5.796 43.316 ( 0.000 0.882 -2.884) 3.016 43.412 ( 0.000 4.328 -3.839) 5.786 43.486 ( 0.000 2.490 0.179) 2.496 43.533 ( 0.000 4.137 -1.906) 4.555 43.722 ( 0.000 1.504 -0.347) 1.544 43.760 ( 0.000 3.194 1.014) 3.351 49.691 ( 0.000 -9.599 19.448) 21.688 49.692 ( -0.000 -8.927 18.004) 20.096 51.074 ( 0.000 -7.004 -7.077) 9.957 51.166 ( -0.000 -1.350 -6.316) 6.459 51.440 ( 0.000 -11.839 -0.450) 11.848 51.462 ( 0.000 -6.879 0.240) 6.884 51.562 ( 0.000 -10.145 1.463) 10.249 51.579 ( -0.000 -10.271 0.359) 10.277 52.050 ( 0.000 -9.330 13.394) 16.323 52.052 ( -0.000 -9.823 16.565) 19.259 55.849 ( 0.000 -54.198 -45.808) 70.964 56.511 ( 0.000 -32.174 -24.619) 40.512 91.386 ( 0.000 -0.947 2.860) 3.013 91.390 ( -0.000 -0.901 4.036) 4.135 91.510 ( 0.000 0.104 -0.682) 0.690 91.539 ( 0.000 1.143 0.826) 1.410 91.779 ( 0.000 -4.234 0.783) 4.306 91.812 ( -0.000 -2.876 2.557) 3.848 91.998 ( 0.000 -3.526 -3.361) 4.872 92.080 ( 0.000 -0.006 -0.072) 0.072 93.277 ( 0.000 -11.603 3.313) 12.067 93.418 ( -0.000 -12.620 9.092) 15.555 93.980 ( 0.000 17.621 0.204) 17.623 94.021 ( 0.000 13.279 2.024) 13.432 94.445 ( 0.000 -8.598 -7.209) 11.221 94.575 ( -0.000 -13.509 -13.072) 18.798 94.752 ( 0.000 2.960 1.810) 3.469 95.126 ( 0.000 6.911 3.537) 7.764 ======================= Grid point 119 (41/128) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 18.569 11.971) 22.093 1.256 ( 0.000 26.855 1.615) 26.903 2.020 ( 0.000 18.674 21.030) 28.124 2.221 ( 0.000 2.123 -6.315) 6.662 2.440 ( 0.000 11.805 2.962) 12.171 2.514 ( 0.000 0.866 -1.873) 2.063 2.585 ( 0.000 5.567 -3.189) 6.416 2.713 ( 0.000 2.921 -4.454) 5.327 2.935 ( 0.000 0.774 0.367) 0.857 2.991 ( 0.000 0.144 6.930) 6.931 3.085 ( 0.000 1.221 2.044) 2.381 3.148 ( 0.000 1.054 1.760) 2.052 3.218 ( 0.000 4.529 0.712) 4.584 3.321 ( 0.000 5.394 0.897) 5.468 3.361 ( 0.000 4.412 -2.291) 4.971 3.643 ( 0.000 6.692 11.361) 13.186 3.781 ( 0.000 0.992 -3.339) 3.484 5.584 ( 0.000 1.093 5.652) 5.756 5.754 ( 0.000 -11.558 -16.394) 20.059 6.418 ( 0.000 -6.577 -6.646) 9.350 6.570 ( 0.000 0.067 2.143) 2.144 6.662 ( 0.000 -1.556 9.899) 10.021 6.836 ( 0.000 0.998 -2.451) 2.647 7.047 ( 0.000 10.895 -2.870) 11.267 7.137 ( 0.000 -2.740 2.199) 3.513 7.358 ( 0.000 1.682 -2.308) 2.855 7.855 ( 0.000 -7.773 -8.349) 11.408 7.979 ( 0.000 0.234 1.151) 1.175 8.009 ( 0.000 1.215 1.830) 2.197 8.251 ( 0.000 -4.332 6.893) 8.141 8.339 ( 0.000 -14.560 6.689) 16.023 10.118 ( 0.000 -9.930 -17.791) 20.375 15.394 ( 0.000 2.434 0.732) 2.541 15.572 ( 0.000 -5.352 2.014) 5.719 15.593 ( 0.000 2.531 1.279) 2.835 15.614 ( 0.000 3.983 -2.004) 4.459 15.737 ( 0.000 -5.811 2.089) 6.176 15.793 ( 0.000 4.445 -1.279) 4.625 15.796 ( 0.000 -5.935 -1.069) 6.030 15.958 ( 0.000 -6.102 1.515) 6.287 16.075 ( 0.000 -6.671 -2.489) 7.120 16.157 ( 0.000 -5.876 -1.358) 6.031 16.477 ( 0.000 -5.080 1.588) 5.322 16.647 ( 0.000 -5.494 -1.145) 5.612 18.945 ( 0.000 -0.978 -1.054) 1.438 18.990 ( 0.000 -0.645 -1.332) 1.480 19.064 ( 0.000 1.874 0.673) 1.991 19.117 ( 0.000 -2.170 0.346) 2.198 33.623 ( 0.000 3.573 4.963) 6.116 33.658 ( 0.000 3.466 3.461) 4.898 34.372 ( 0.000 7.933 -0.532) 7.951 34.635 ( 0.000 6.955 -7.051) 9.904 35.741 ( 0.000 -0.802 0.294) 0.854 35.800 ( 0.000 0.957 -0.569) 1.114 36.813 ( 0.000 1.992 2.971) 3.577 37.038 ( 0.000 3.672 -3.139) 4.831 42.451 ( 0.000 5.113 -0.307) 5.122 42.536 ( 0.000 1.187 2.545) 2.808 42.623 ( 0.000 10.968 1.981) 11.145 42.734 ( 0.000 11.037 -0.040) 11.037 42.970 ( 0.000 5.125 0.515) 5.151 42.981 ( 0.000 9.779 1.746) 9.933 43.181 ( 0.000 5.256 0.336) 5.267 43.402 ( 0.000 4.374 -4.107) 6.000 43.607 ( 0.000 1.483 -1.296) 1.969 43.757 ( 0.000 6.260 -1.625) 6.468 43.965 ( 0.000 4.053 4.833) 6.307 44.031 ( 0.000 5.532 4.082) 6.875 49.570 ( 0.000 -22.131 48.903) 53.677 50.132 ( 0.000 -1.698 -0.408) 1.746 50.488 ( 0.000 -5.864 -2.379) 6.328 50.488 ( 0.000 -22.274 24.502) 33.113 50.627 ( 0.000 -6.681 13.624) 15.174 51.136 ( 0.000 -15.004 16.782) 22.511 51.317 ( 0.000 -10.636 -3.861) 11.315 51.485 ( 0.000 -11.181 2.856) 11.540 51.576 ( 0.000 -14.359 3.054) 14.680 51.808 ( 0.000 -8.188 2.381) 8.527 54.604 ( 0.000 -54.803 -28.989) 61.998 54.864 ( 0.000 -52.946 -23.333) 57.859 91.357 ( 0.000 -0.496 1.034) 1.147 91.448 ( 0.000 0.612 -0.523) 0.805 91.502 ( 0.000 -8.451 10.861) 13.762 91.542 ( 0.000 -0.501 -0.356) 0.615 91.551 ( 0.000 -0.208 0.156) 0.260 91.628 ( 0.000 -3.472 2.179) 4.099 91.846 ( 0.000 -3.471 -1.361) 3.728 91.937 ( 0.000 -5.595 1.008) 5.685 92.432 ( 0.000 5.309 7.101) 8.866 93.595 ( 0.000 4.489 5.543) 7.133 93.795 ( 0.000 -3.255 -20.028) 20.290 94.255 ( 0.000 -3.730 3.653) 5.221 94.263 ( 0.000 -0.784 -4.106) 4.180 94.704 ( 0.000 -2.226 -9.604) 9.859 94.953 ( 0.000 -1.430 8.165) 8.289 95.540 ( 0.000 -1.103 6.019) 6.119 ======================= Grid point 120 (42/128) ======================= q-point: ( 0.17 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 14.893 16.601 8.233) 23.774 1.309 ( 11.680 22.947 0.486) 25.753 2.086 ( 7.625 13.681 17.263) 23.309 2.229 ( -9.663 8.481 1.751) 12.975 2.396 ( 8.089 7.168 -1.457) 10.905 2.490 ( -6.509 4.635 -2.447) 8.357 2.633 ( 3.806 3.544 -3.462) 6.248 2.659 ( -2.511 0.820 -1.312) 2.949 2.914 ( 1.253 3.560 -1.692) 4.136 2.981 ( -0.037 1.781 5.457) 5.740 3.131 ( 0.938 2.730 0.592) 2.946 3.184 ( 0.723 2.846 1.283) 3.205 3.246 ( 3.655 1.003 2.223) 4.394 3.333 ( 5.783 0.658 -3.565) 6.825 3.496 ( 7.448 5.289 -0.657) 9.158 3.646 ( 1.195 5.784 7.117) 9.248 3.804 ( 2.248 2.942 5.073) 6.280 5.428 ( -15.848 1.063 6.797) 17.276 5.764 ( 1.023 -10.878 -15.450) 18.923 6.349 ( -8.071 -5.668 -4.629) 10.895 6.521 ( -0.565 -1.065 0.004) 1.206 6.611 ( -3.590 3.564 3.062) 5.913 6.886 ( 1.615 0.573 -1.189) 2.085 7.008 ( 1.599 5.700 2.788) 6.544 7.226 ( 3.400 -1.235 0.372) 3.637 7.377 ( 2.057 1.391 -6.305) 6.776 7.845 ( -1.739 -7.468 -2.889) 8.194 7.974 ( -0.431 0.513 0.879) 1.105 8.014 ( 0.156 2.350 -1.820) 2.977 8.250 ( -2.651 -10.141 22.535) 24.853 8.446 ( 12.948 -10.469 -8.961) 18.909 9.935 ( -16.137 -8.244 -14.381) 23.134 15.405 ( 1.012 2.404 0.757) 2.716 15.570 ( -1.887 2.450 0.657) 3.161 15.585 ( 1.221 -5.491 2.108) 6.008 15.627 ( 0.938 4.053 -1.511) 4.426 15.727 ( -0.975 -5.839 1.981) 6.242 15.768 ( -1.726 3.139 -1.089) 3.744 15.826 ( 2.347 -5.085 -1.047) 5.697 15.996 ( 3.574 -5.547 1.364) 6.738 16.060 ( -1.465 -6.605 -2.395) 7.177 16.193 ( 3.381 -5.805 -1.413) 6.865 16.440 ( -3.500 -5.031 1.498) 6.309 16.613 ( -3.271 -5.487 -1.183) 6.497 18.946 ( 0.081 -1.069 -1.106) 1.540 18.989 ( -0.135 -0.497 -1.435) 1.525 19.041 ( -1.844 1.949 0.339) 2.704 19.096 ( -1.927 -1.859 0.264) 2.691 33.620 ( -0.217 3.703 4.781) 6.051 33.648 ( -0.797 3.876 3.291) 5.147 34.371 ( -0.062 7.999 -0.638) 8.025 34.550 ( -6.153 9.198 -3.756) 11.686 35.827 ( 3.829 -0.677 -0.879) 3.987 35.831 ( 5.107 -1.785 -1.138) 5.529 36.817 ( 0.456 2.358 2.576) 3.522 37.003 ( -3.035 4.098 -1.884) 5.437 42.470 ( 0.966 6.299 0.642) 6.405 42.540 ( 0.041 5.433 3.145) 6.278 42.652 ( 2.792 5.917 2.713) 7.083 42.776 ( 4.169 11.112 -0.168) 11.869 42.955 ( -0.865 9.215 2.227) 9.520 43.097 ( 9.165 4.369 -3.016) 10.592 43.230 ( 4.834 5.271 -0.519) 7.171 43.379 ( -2.267 5.948 -2.856) 6.977 43.591 ( -1.261 1.390 -1.839) 2.627 43.738 ( -1.861 6.035 -1.683) 6.536 43.932 ( -2.991 4.007 4.770) 6.910 43.979 ( -4.827 6.317 2.377) 8.298 49.433 ( -9.838 -17.949 42.758) 47.404 49.905 ( -18.521 -8.161 12.340) 23.705 50.332 ( 14.121 -2.692 1.370) 14.440 50.617 ( 11.487 -4.410 -1.630) 12.412 50.989 ( 6.357 -18.059 1.073) 19.175 51.280 ( 2.965 -21.080 5.388) 21.959 51.348 ( 2.047 -13.300 -1.513) 13.541 51.481 ( -1.546 -8.719 1.139) 8.928 51.703 ( -2.412 -13.583 11.773) 18.136 51.919 ( 23.289 -23.875 5.894) 33.869 54.616 ( 0.386 -54.765 -29.025) 61.983 55.001 ( 14.464 -58.800 -19.206) 63.526 91.360 ( 0.242 -0.604 1.210) 1.374 91.418 ( -2.950 -2.307 4.944) 6.202 91.464 ( 1.310 0.482 -0.430) 1.461 91.555 ( 0.352 -0.119 0.105) 0.386 91.635 ( 1.301 -3.781 1.868) 4.413 91.679 ( 5.262 -6.889 1.543) 8.805 91.860 ( 1.374 -3.633 -1.768) 4.268 91.993 ( 4.607 -6.129 0.290) 7.673 92.527 ( 10.318 2.270 8.341) 13.461 93.553 ( -4.074 2.224 4.638) 6.562 93.872 ( 7.165 -3.090 -17.568) 19.223 94.243 ( -0.824 -2.466 2.345) 3.501 94.267 ( 0.259 0.038 -3.425) 3.435 94.660 ( -4.455 -2.151 -10.355) 11.476 94.919 ( -3.151 -0.679 8.244) 8.852 95.428 ( -9.400 0.594 7.965) 12.335 ======================= Grid point 121 (43/128) ======================= q-point: ( 0.33 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 6.050 22.368 1.918) 23.251 1.682 ( 15.882 13.687 6.997) 22.103 2.000 ( -11.062 10.934 3.971) 16.053 2.260 ( -11.925 10.887 9.656) 18.814 2.293 ( 9.914 5.766 4.495) 12.318 2.500 ( -2.400 5.112 -8.604) 10.292 2.711 ( 4.733 2.034 0.605) 5.186 2.756 ( 9.052 0.394 -2.452) 9.386 2.977 ( 4.171 4.136 -1.839) 6.155 3.013 ( 3.674 2.939 3.156) 5.666 3.132 ( -0.055 2.448 -0.693) 2.545 3.244 ( 5.271 1.184 -0.709) 5.449 3.255 ( -0.895 -2.697 -7.668) 8.178 3.520 ( 4.059 0.086 -1.907) 4.485 3.535 ( 1.483 2.507 0.002) 2.913 3.711 ( 3.765 1.383 4.418) 5.967 3.924 ( 12.169 11.331 17.560) 24.183 4.968 ( -28.700 4.008 10.418) 30.794 5.795 ( 1.874 -9.978 -14.426) 17.641 6.179 ( -7.177 -5.686 -4.727) 10.305 6.529 ( 0.371 2.663 -2.508) 3.677 6.574 ( -0.129 4.343 -0.304) 4.356 6.909 ( 2.563 1.990 -2.951) 4.386 7.090 ( 3.733 -1.082 4.629) 6.044 7.232 ( -1.640 0.490 -2.213) 2.798 7.406 ( -0.305 0.186 -4.647) 4.660 7.786 ( -3.159 -8.859 4.840) 10.578 7.971 ( 0.129 1.041 -1.307) 1.676 8.008 ( -0.585 1.977 -2.291) 3.082 8.195 ( -1.898 -6.662 17.965) 19.255 8.780 ( 18.895 -11.367 -9.106) 23.857 9.565 ( -19.607 -8.625 -10.671) 23.931 15.432 ( 1.641 2.297 0.656) 2.898 15.527 ( -2.247 2.305 0.803) 3.317 15.617 ( 1.872 -5.568 2.004) 6.207 15.648 ( 1.097 3.888 -1.481) 4.303 15.701 ( -1.535 -5.656 1.866) 6.150 15.733 ( -1.625 3.556 -0.784) 3.987 15.885 ( 3.346 -5.730 -1.370) 6.775 16.017 ( -2.682 -6.306 -2.192) 7.195 16.091 ( 5.639 -5.313 1.299) 7.856 16.280 ( 4.600 -5.589 -1.610) 7.415 16.348 ( -4.928 -5.148 1.523) 7.287 16.524 ( -5.434 -5.495 -1.246) 7.828 18.950 ( 0.376 -1.299 -1.369) 1.924 18.986 ( -0.195 -0.160 -1.818) 1.836 19.009 ( -0.988 1.276 -0.163) 1.621 19.051 ( -2.264 -1.126 0.282) 2.544 33.617 ( 0.000 3.976 4.174) 5.765 33.633 ( -0.694 4.165 3.224) 5.313 34.371 ( 0.125 8.238 -0.968) 8.295 34.451 ( -3.379 9.747 -1.098) 10.374 35.890 ( 3.088 -0.474 -0.590) 3.180 35.924 ( 2.666 -3.303 -1.701) 4.573 36.834 ( 1.268 3.045 1.576) 3.656 36.938 ( -3.097 4.069 -0.185) 5.117 42.472 ( -0.508 7.859 1.934) 8.110 42.534 ( -0.536 7.626 3.967) 8.613 42.722 ( 3.801 4.848 2.904) 6.810 42.890 ( 4.079 9.204 1.629) 10.198 42.939 ( 2.204 10.083 1.461) 10.424 43.241 ( -1.303 5.342 -7.163) 9.030 43.286 ( 2.999 5.893 2.062) 6.926 43.408 ( 7.484 6.425 -2.694) 10.225 43.565 ( -1.351 1.805 -0.774) 2.383 43.691 ( -2.606 5.709 -2.681) 6.824 43.850 ( -5.651 4.926 3.229) 8.162 43.876 ( -3.684 5.340 0.475) 6.504 49.326 ( 0.170 -16.142 25.904) 30.522 49.627 ( -11.503 -15.050 11.049) 21.930 50.651 ( 15.875 -8.853 -0.203) 18.178 50.931 ( 17.279 -3.131 -4.401) 18.103 51.082 ( 3.210 -17.777 -0.332) 18.067 51.254 ( -3.442 -19.696 4.208) 20.433 51.372 ( -0.240 -10.088 -2.972) 10.520 51.453 ( -1.706 -10.886 -0.786) 11.047 51.589 ( -2.228 -9.148 10.474) 14.084 52.128 ( -6.397 -26.543 3.655) 27.546 54.643 ( 2.431 -59.021 -31.893) 67.131 55.336 ( 14.936 -65.380 -11.348) 68.017 91.364 ( 0.124 -0.815 1.600) 1.800 91.381 ( -1.084 -1.353 3.383) 3.802 91.495 ( 1.573 0.323 -0.761) 1.777 91.559 ( -0.101 0.198 0.285) 0.361 91.663 ( 1.413 -4.502 0.895) 4.803 91.731 ( 0.672 -5.732 1.498) 5.963 91.897 ( 2.034 -3.824 -3.188) 5.378 92.053 ( 0.951 -3.991 -0.372) 4.119 92.828 ( 17.764 -4.335 7.644) 19.819 93.424 ( -9.144 -2.314 5.513) 10.925 94.059 ( 10.953 -2.777 -13.817) 17.849 94.235 ( 0.203 -0.260 -0.320) 0.459 94.267 ( -0.332 2.759 -2.539) 3.764 94.523 ( -9.069 -2.439 -12.136) 15.346 94.847 ( -3.448 0.988 8.332) 9.072 95.250 ( -6.910 0.267 10.011) 12.167 ======================= Grid point 122 (44/128) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 21.214 1.209) 21.249 1.859 ( 0.000 12.652 6.929) 14.425 1.906 ( 0.000 7.790 3.651) 8.603 2.066 ( 0.000 16.725 14.230) 21.960 2.413 ( -0.000 5.839 -4.344) 7.277 2.451 ( 0.000 4.872 -5.087) 7.044 2.754 ( 0.000 0.950 2.378) 2.561 2.850 ( 0.000 2.303 1.078) 2.543 3.029 ( 0.000 3.231 -0.704) 3.307 3.073 ( 0.000 4.274 -0.176) 4.277 3.181 ( 0.000 -0.227 -4.540) 4.545 3.218 ( 0.000 -1.525 -9.828) 9.946 3.339 ( -0.000 -0.967 -3.189) 3.333 3.418 ( 0.000 -0.449 -1.743) 1.800 3.648 ( 0.000 -2.300 3.145) 3.897 3.740 ( 0.000 1.369 4.127) 4.349 4.279 ( 0.000 11.311 15.066) 18.839 4.435 ( -0.000 9.453 16.766) 19.247 5.820 ( 0.000 -9.503 -13.950) 16.879 6.101 ( -0.000 -6.114 -5.925) 8.514 6.533 ( 0.000 4.165 -2.889) 5.069 6.576 ( 0.000 5.251 -0.985) 5.342 6.968 ( 0.000 -0.256 -2.467) 2.480 7.096 ( 0.000 -0.715 -4.452) 4.509 7.223 ( 0.000 -1.465 0.918) 1.728 7.386 ( 0.000 0.226 3.622) 3.630 7.753 ( 0.000 -8.172 4.616) 9.386 7.974 ( 0.000 1.293 -2.491) 2.807 8.000 ( 0.000 1.441 -1.092) 1.808 8.178 ( 0.000 -4.656 15.100) 15.802 9.143 ( 0.000 -11.568 -11.641) 16.412 9.197 ( -0.000 -9.685 -7.231) 12.086 15.459 ( -0.000 2.034 0.105) 2.037 15.494 ( 0.000 2.500 1.405) 2.868 15.649 ( 0.000 -2.320 0.446) 2.363 15.658 ( -0.000 -5.068 1.849) 5.395 15.678 ( 0.000 0.304 -0.433) 0.529 15.712 ( 0.000 3.420 -0.243) 3.429 15.949 ( 0.000 -6.247 -1.985) 6.555 15.960 ( -0.000 -5.867 -1.645) 6.093 16.211 ( 0.000 -5.445 0.999) 5.535 16.218 ( -0.000 -4.927 1.228) 5.078 16.406 ( -0.000 -5.686 -1.238) 5.819 16.407 ( 0.000 -5.432 -1.133) 5.549 18.956 ( 0.000 -1.404 -1.764) 2.255 18.982 ( 0.000 -0.157 -1.988) 1.994 19.004 ( 0.000 0.649 -0.552) 0.852 19.022 ( 0.000 -0.446 0.738) 0.862 33.621 ( 0.000 4.023 3.512) 5.340 33.622 ( -0.000 4.254 3.583) 5.562 34.374 ( 0.000 8.514 -1.418) 8.632 34.417 ( 0.000 9.318 -0.174) 9.320 35.931 ( 0.000 -1.793 -1.069) 2.087 35.941 ( -0.000 -2.020 -0.917) 2.219 36.858 ( 0.000 3.612 0.314) 3.626 36.896 ( 0.000 3.622 1.187) 3.811 42.464 ( 0.000 8.271 2.268) 8.576 42.527 ( 0.000 8.085 4.287) 9.152 42.774 ( -0.000 5.421 2.201) 5.851 42.879 ( 0.000 8.500 5.384) 10.062 43.087 ( 0.000 9.046 -2.611) 9.415 43.109 ( 0.000 9.255 -2.142) 9.499 43.369 ( 0.000 4.285 -1.289) 4.475 43.482 ( 0.000 3.039 -0.551) 3.089 43.583 ( -0.000 6.590 -1.692) 6.804 43.636 ( 0.000 6.014 -2.428) 6.486 43.775 ( 0.000 3.791 -0.596) 3.838 43.839 ( 0.000 4.675 1.703) 4.976 49.405 ( 0.000 -18.655 15.691) 24.377 49.440 ( -0.000 -16.010 14.541) 21.628 50.880 ( 0.000 -12.235 -4.135) 12.915 51.042 ( -0.000 -19.387 2.508) 19.548 51.143 ( 0.000 -6.281 -7.359) 9.675 51.262 ( -0.000 -13.515 1.529) 13.602 51.351 ( 0.000 -11.867 2.746) 12.181 51.357 ( -0.000 -10.482 -0.905) 10.521 51.808 ( 0.000 -14.449 6.655) 15.908 51.820 ( -0.000 -13.525 5.796) 14.714 54.676 ( 0.000 -61.774 -33.736) 70.386 55.494 ( 0.000 -65.983 -8.245) 66.496 91.366 ( 0.000 -1.043 1.809) 2.088 91.370 ( 0.000 -1.007 2.870) 3.042 91.515 ( 0.000 0.258 -1.149) 1.178 91.555 ( 0.000 0.271 0.626) 0.683 91.680 ( 0.000 -5.236 -0.079) 5.237 91.733 ( 0.000 -4.593 2.479) 5.219 91.923 ( 0.000 -4.057 -4.416) 5.997 92.055 ( 0.000 -2.551 0.478) 2.596 93.128 ( 0.000 -3.742 4.359) 5.745 93.219 ( -0.000 -7.187 8.596) 11.205 94.236 ( 0.000 6.995 -0.336) 7.003 94.244 ( -0.000 3.169 -1.043) 3.337 94.278 ( 0.000 -6.926 -10.146) 12.284 94.347 ( -0.000 -3.070 -17.229) 17.500 94.808 ( 0.000 1.744 8.409) 8.588 95.180 ( 0.000 -1.026 10.315) 10.366 ======================= Grid point 126 (45/128) ======================= q-point: ( 0.00 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 18.980 8.960) 20.988 1.769 ( 0.000 23.583 -4.866) 24.080 2.264 ( 0.000 2.325 -4.378) 4.957 2.305 ( 0.000 11.239 8.871) 14.318 2.513 ( 0.000 -1.295 -1.655) 2.101 2.686 ( 0.000 11.640 1.992) 11.809 2.709 ( 0.000 7.425 -5.068) 8.989 2.745 ( 0.000 0.652 -5.646) 5.683 2.946 ( 0.000 0.715 1.117) 1.326 3.002 ( 0.000 1.040 4.511) 4.629 3.124 ( 0.000 2.629 1.753) 3.160 3.180 ( 0.000 1.784 -0.143) 1.790 3.299 ( 0.000 -5.876 -5.261) 7.887 3.322 ( 0.000 5.178 2.693) 5.836 3.446 ( 0.000 4.536 -0.939) 4.633 3.796 ( 0.000 0.604 -2.408) 2.482 3.972 ( 0.000 22.616 19.041) 29.564 5.525 ( 0.000 -10.353 -7.547) 12.811 5.590 ( 0.000 -0.857 3.909) 4.002 6.268 ( 0.000 -8.218 -6.753) 10.637 6.543 ( 0.000 -2.689 4.537) 5.274 6.655 ( 0.000 0.317 7.211) 7.218 6.888 ( 0.000 4.197 -2.367) 4.819 7.091 ( 0.000 -1.801 2.349) 2.960 7.262 ( 0.000 9.888 -4.641) 10.923 7.378 ( 0.000 0.196 -2.937) 2.944 7.601 ( 0.000 -15.315 -5.121) 16.148 7.991 ( 0.000 1.016 0.826) 1.310 7.992 ( 0.000 -16.336 17.495) 23.936 8.049 ( 0.000 2.885 0.789) 2.990 8.245 ( 0.000 -0.613 -4.087) 4.133 9.881 ( 0.000 -14.009 -18.361) 23.095 15.404 ( 0.000 -4.725 0.105) 4.727 15.497 ( 0.000 1.311 2.976) 3.252 15.597 ( 0.000 -7.145 1.896) 7.392 15.633 ( 0.000 -6.141 -2.495) 6.629 15.661 ( 0.000 3.508 1.758) 3.924 15.731 ( 0.000 3.085 -0.983) 3.238 15.824 ( 0.000 -7.074 1.604) 7.253 15.886 ( 0.000 3.403 -2.184) 4.044 15.929 ( 0.000 -6.569 -1.907) 6.840 16.024 ( 0.000 -7.400 -1.283) 7.510 16.364 ( 0.000 -6.190 1.459) 6.360 16.520 ( 0.000 -7.169 -0.992) 7.237 18.923 ( 0.000 -1.148 -1.257) 1.703 18.979 ( 0.000 -0.377 -1.053) 1.119 19.068 ( 0.000 -2.173 1.603) 2.700 19.115 ( 0.000 2.674 0.036) 2.675 33.703 ( 0.000 4.304 4.335) 6.108 33.742 ( 0.000 4.699 2.779) 5.459 34.534 ( 0.000 8.117 -0.437) 8.128 34.743 ( 0.000 4.346 -3.276) 5.442 35.723 ( 0.000 -0.978 0.606) 1.151 35.822 ( 0.000 1.258 -0.839) 1.512 36.872 ( 0.000 3.772 2.192) 4.363 37.114 ( 0.000 3.964 -2.602) 4.742 42.477 ( 0.000 -1.535 2.666) 3.076 42.670 ( 0.000 11.254 0.014) 11.254 42.881 ( 0.000 15.079 0.767) 15.099 42.977 ( 0.000 12.967 -1.084) 13.012 43.091 ( 0.000 7.350 1.442) 7.490 43.200 ( 0.000 11.934 1.085) 11.983 43.301 ( 0.000 6.741 0.623) 6.770 43.499 ( 0.000 5.324 -3.894) 6.596 43.662 ( 0.000 3.850 1.232) 4.042 43.891 ( 0.000 7.225 -0.593) 7.249 44.045 ( 0.000 4.373 6.189) 7.578 44.188 ( 0.000 9.273 0.279) 9.277 49.227 ( 0.000 -12.931 31.873) 34.396 50.095 ( 0.000 -2.045 -0.426) 2.089 50.159 ( 0.000 -15.152 8.666) 17.455 50.348 ( 0.000 -8.253 -1.850) 8.458 50.462 ( 0.000 -10.380 6.838) 12.430 50.808 ( 0.000 -17.061 15.937) 23.347 51.074 ( 0.000 -13.488 -3.517) 13.939 51.087 ( 0.000 -27.194 3.067) 27.366 51.354 ( 0.000 -10.269 -1.450) 10.371 51.657 ( 0.000 -6.831 1.509) 6.995 53.409 ( 0.000 -63.757 -20.842) 67.077 53.728 ( 0.000 -58.138 -20.084) 61.509 91.349 ( 0.000 -0.273 0.638) 0.694 91.397 ( 0.000 -3.108 4.382) 5.373 91.452 ( 0.000 -0.314 -0.964) 1.014 91.521 ( 0.000 -1.863 -0.236) 1.878 91.546 ( 0.000 -0.278 0.018) 0.279 91.571 ( 0.000 -1.800 1.490) 2.337 91.767 ( 0.000 -4.380 -1.442) 4.611 91.829 ( 0.000 -5.321 -1.488) 5.525 92.564 ( 0.000 7.714 5.923) 9.725 93.680 ( 0.000 3.866 5.169) 6.454 93.729 ( 0.000 -3.152 -18.028) 18.301 94.198 ( 0.000 -2.073 2.769) 3.459 94.243 ( 0.000 -1.221 -3.100) 3.332 94.621 ( 0.000 -5.411 -7.234) 9.034 94.896 ( 0.000 -4.662 12.077) 12.945 95.461 ( 0.000 -6.122 5.961) 8.545 ======================= Grid point 127 (46/128) ======================= q-point: ( 0.17 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 17.023 15.014 7.094) 23.780 1.793 ( 3.059 22.913 -5.207) 23.696 2.308 ( 0.662 9.067 6.427) 11.134 2.372 ( 2.866 5.151 -2.497) 6.402 2.495 ( 3.897 3.616 -1.650) 5.566 2.628 ( -3.134 7.108 -0.297) 7.774 2.672 ( -4.074 1.928 0.369) 4.522 2.722 ( -0.806 5.413 -6.426) 8.440 2.978 ( 3.500 3.028 -0.817) 4.700 3.023 ( 1.354 2.058 3.312) 4.128 3.178 ( 0.177 1.674 -0.600) 1.787 3.188 ( 2.907 -0.025 2.043) 3.553 3.282 ( -0.678 -2.143 -4.909) 5.399 3.352 ( 4.313 4.157 2.657) 6.553 3.547 ( 7.198 1.836 -0.610) 7.454 3.759 ( -3.232 1.849 -1.097) 3.882 4.032 ( 5.795 19.586 18.417) 27.502 5.429 ( -13.679 -1.862 2.694) 14.066 5.561 ( 1.482 -7.974 -5.090) 9.575 6.214 ( -6.867 -7.637 -7.184) 12.533 6.480 ( -1.097 -2.817 4.586) 5.493 6.702 ( 1.254 4.663 2.911) 5.638 6.876 ( 0.630 -0.494 -0.854) 1.171 7.084 ( -0.204 0.381 2.310) 2.350 7.255 ( -1.047 4.387 -1.445) 4.736 7.409 ( 1.980 2.046 -4.916) 5.681 7.643 ( 1.493 -12.011 -2.582) 12.376 7.968 ( -0.267 -7.605 9.307) 12.022 8.013 ( 1.431 -5.869 7.577) 9.690 8.060 ( 0.438 2.517 -0.781) 2.672 8.310 ( 7.541 -3.712 -4.644) 9.602 9.725 ( -14.509 -12.802 -16.358) 25.337 15.417 ( 1.325 -4.529 0.155) 4.722 15.506 ( 0.776 1.050 2.935) 3.213 15.586 ( -1.116 -6.641 1.695) 6.944 15.636 ( -1.864 2.319 1.454) 3.312 15.653 ( 1.718 -5.060 -2.857) 6.060 15.746 ( 1.152 2.425 -0.207) 2.693 15.819 ( -0.522 -2.602 0.295) 2.671 15.903 ( 0.929 -4.931 -1.584) 5.262 15.923 ( 0.361 -2.933 -1.049) 3.136 16.064 ( 3.682 -6.882 -1.355) 7.922 16.328 ( -3.444 -6.120 1.425) 7.165 16.487 ( -3.231 -7.128 -1.028) 7.894 18.922 ( -0.079 -1.211 -1.254) 1.745 18.981 ( 0.162 -0.192 -1.205) 1.231 19.050 ( -1.585 -1.801 1.538) 2.851 19.095 ( -1.764 2.574 0.006) 3.121 33.703 ( -0.017 4.401 4.119) 6.028 33.736 ( -0.533 4.781 2.811) 5.572 34.534 ( 0.052 8.160 -0.568) 8.180 34.698 ( -3.704 5.992 -2.276) 7.403 35.780 ( 4.615 -2.046 -0.007) 5.048 35.843 ( 1.878 0.873 -0.739) 2.199 36.881 ( 0.862 3.901 1.905) 4.426 37.085 ( -2.634 4.228 -1.948) 5.348 42.547 ( 5.750 0.352 2.139) 6.145 42.688 ( 1.238 11.028 0.739) 11.122 42.849 ( -1.591 12.996 1.612) 13.192 43.024 ( 3.637 13.771 -0.122) 14.244 43.140 ( 2.391 8.652 0.122) 8.977 43.228 ( 4.284 9.328 0.551) 10.280 43.350 ( 4.879 6.751 0.143) 8.331 43.506 ( 0.542 6.431 -3.288) 7.243 43.642 ( -1.789 3.843 0.397) 4.258 43.865 ( -2.440 6.823 -0.602) 7.272 44.016 ( -2.678 4.547 5.447) 7.584 44.135 ( -5.030 8.897 -0.169) 10.221 49.114 ( -8.428 -13.701 25.162) 29.864 49.713 ( -24.104 -11.428 8.041) 27.861 50.264 ( 10.456 -4.279 2.438) 11.558 50.504 ( 13.824 -7.057 -0.933) 15.549 50.621 ( 6.239 -18.167 0.288) 19.211 50.842 ( 0.587 -21.497 8.617) 23.168 51.084 ( 1.879 -14.800 -4.314) 15.530 51.239 ( 5.392 -17.933 2.797) 18.934 51.379 ( 3.818 -15.562 6.452) 17.274 51.649 ( 1.372 -8.415 0.278) 8.530 53.441 ( 1.714 -62.243 -20.349) 65.507 53.776 ( 6.239 -61.975 -14.845) 64.033 91.351 ( 0.080 -0.348 0.696) 0.782 91.376 ( -1.304 -1.741 2.983) 3.692 91.465 ( 1.127 -0.538 -0.952) 1.571 91.541 ( 1.156 -1.745 0.111) 2.096 91.571 ( 0.305 -2.142 1.075) 2.416 91.587 ( 2.868 -2.846 0.175) 4.044 91.779 ( 1.311 -4.452 -2.273) 5.167 91.882 ( 4.545 -5.237 -0.980) 7.003 92.623 ( 6.275 6.576 6.397) 11.115 93.595 ( -7.141 2.006 3.594) 8.242 93.798 ( 5.590 -3.886 -15.792) 17.196 94.219 ( 1.547 -0.762 0.511) 1.799 94.254 ( 1.407 -0.793 -2.290) 2.803 94.586 ( -3.351 -4.715 -6.715) 8.863 94.874 ( -1.953 -4.174 11.753) 12.624 95.377 ( -7.654 -4.974 7.019) 11.515 ======================= Grid point 128 (47/128) ======================= q-point: ( 0.33 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 7.472 18.437 -0.457) 19.899 1.943 ( 10.473 13.692 0.555) 17.247 2.196 ( -9.054 8.839 0.734) 12.674 2.431 ( 2.983 7.684 2.744) 8.687 2.483 ( -3.521 10.957 5.997) 12.978 2.615 ( -1.807 6.191 -6.001) 8.809 2.742 ( 3.102 -0.300 -5.630) 6.435 2.777 ( 11.452 2.768 -1.892) 11.933 3.051 ( 4.653 2.450 -0.437) 5.277 3.063 ( 2.369 2.981 0.667) 3.866 3.176 ( -0.170 0.590 -4.367) 4.410 3.197 ( -0.969 -0.569 -2.128) 2.407 3.277 ( 0.778 1.578 1.364) 2.226 3.496 ( 7.188 -0.838 1.774) 7.451 3.593 ( -5.003 2.878 -1.653) 6.003 3.732 ( 2.330 0.297 4.117) 4.740 4.213 ( 12.859 15.715 16.824) 26.369 5.043 ( -23.248 2.862 7.664) 24.645 5.620 ( 3.883 -6.639 -7.386) 10.663 6.033 ( -9.015 -8.379 -4.865) 13.234 6.528 ( 4.496 -2.123 0.723) 5.024 6.695 ( -1.476 6.611 -1.591) 6.958 6.917 ( 2.847 -1.465 -0.942) 3.338 7.090 ( 0.354 0.647 5.098) 5.151 7.212 ( -3.236 -1.625 -2.036) 4.154 7.405 ( -2.319 -0.522 0.092) 2.379 7.646 ( 0.343 -4.574 -1.113) 4.720 7.984 ( 1.326 -2.116 3.472) 4.276 8.031 ( -0.227 -2.880 4.759) 5.567 8.066 ( 0.429 -0.567 2.546) 2.643 8.562 ( 16.794 -9.925 -7.206) 20.796 9.362 ( -20.387 -11.728 -12.477) 26.625 15.452 ( 2.017 -3.946 0.206) 4.437 15.525 ( 0.975 -0.462 2.474) 2.699 15.556 ( -1.637 -4.375 1.363) 4.866 15.596 ( -1.917 1.220 1.665) 2.817 15.697 ( 2.211 -3.197 -2.735) 4.753 15.770 ( 1.158 0.722 0.297) 1.396 15.808 ( -0.373 -0.373 -1.287) 1.391 15.879 ( -1.990 -6.848 -1.829) 7.362 15.989 ( 4.947 -4.068 0.717) 6.445 16.156 ( 4.910 -6.678 -1.553) 8.433 16.236 ( -5.115 -5.921 1.503) 7.967 16.398 ( -5.377 -6.998 -1.101) 8.893 18.922 ( 0.059 -1.436 -1.338) 1.964 18.984 ( 0.029 0.161 -1.660) 1.668 19.018 ( -1.157 -1.018 1.603) 2.224 19.056 ( -1.869 2.129 -0.019) 2.833 33.704 ( 0.179 4.590 3.621) 5.850 33.724 ( -0.638 4.856 2.962) 5.724 34.538 ( 0.334 8.252 -0.984) 8.317 34.627 ( -2.912 7.786 -0.878) 8.359 35.866 ( 3.331 -2.414 -0.493) 4.144 35.884 ( 1.860 -0.172 -0.571) 1.954 36.907 ( 1.790 4.209 1.126) 4.711 37.023 ( -3.290 4.417 -0.677) 5.549 42.645 ( 2.916 7.580 1.304) 8.226 42.705 ( 0.516 10.208 2.165) 10.448 42.851 ( 2.143 9.052 2.186) 9.556 43.095 ( -0.031 11.221 3.712) 11.819 43.165 ( 4.573 12.439 -0.489) 13.262 43.346 ( 4.712 5.695 -3.060) 8.000 43.443 ( 1.166 8.996 0.576) 9.090 43.543 ( 4.166 6.639 -2.913) 8.362 43.615 ( 0.972 3.875 -0.019) 3.995 43.807 ( -2.848 6.021 -1.378) 6.802 43.952 ( -3.734 5.109 3.720) 7.340 44.006 ( -6.963 7.436 -0.764) 10.216 48.991 ( -2.436 -16.264 15.061) 22.300 49.306 ( -16.280 -16.511 7.260) 24.298 50.465 ( 9.234 -10.380 2.637) 14.141 50.693 ( 0.161 -19.315 0.110) 19.316 50.848 ( 13.664 -9.477 -3.142) 16.923 50.865 ( 7.542 -14.863 3.683) 17.069 51.136 ( 2.508 -14.409 -4.868) 15.415 51.216 ( -4.808 -12.843 -1.981) 13.856 51.375 ( -1.625 -13.109 8.843) 15.896 51.694 ( -2.345 -17.767 0.352) 17.925 53.456 ( 0.451 -60.015 -19.872) 63.221 53.965 ( 10.064 -70.331 -4.780) 71.208 91.350 ( -0.139 -0.575 0.807) 1.000 91.358 ( -0.522 -0.884 1.990) 2.239 91.492 ( 1.493 -0.797 -1.088) 2.012 91.553 ( -0.331 -0.983 -0.248) 1.067 91.580 ( 0.898 -3.444 0.345) 3.576 91.633 ( 1.411 -3.997 1.318) 4.439 91.816 ( 2.038 -4.262 -3.802) 6.064 91.962 ( 2.557 -4.994 -0.566) 5.639 92.824 ( 13.482 2.876 6.621) 15.293 93.401 ( -12.152 -0.048 5.176) 13.209 93.944 ( 8.715 -6.174 -15.784) 19.058 94.220 ( -2.037 -3.619 -7.463) 8.541 94.309 ( 3.449 2.889 0.806) 4.571 94.500 ( -4.606 -0.987 -3.825) 6.068 94.832 ( -1.775 -2.666 10.415) 10.897 95.204 ( -8.154 -4.229 9.635) 13.312 ======================= Grid point 129 (48/128) ======================= q-point: (-0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 22.063 -5.918) 22.843 2.060 ( 0.000 7.763 2.226) 8.076 2.065 ( 0.000 8.321 4.408) 9.417 2.383 ( 0.000 14.122 8.357) 16.409 2.554 ( -0.000 8.084 -2.453) 8.448 2.569 ( 0.000 7.272 -4.128) 8.362 2.773 ( 0.000 -0.093 -2.069) 2.071 2.893 ( 0.000 1.759 -1.747) 2.479 3.091 ( 0.000 2.861 -0.953) 3.016 3.135 ( 0.000 0.007 -5.193) 5.193 3.177 ( -0.000 0.740 -3.918) 3.987 3.184 ( 0.000 0.971 -2.700) 2.869 3.340 ( -0.000 1.395 -0.484) 1.477 3.430 ( 0.000 1.387 -0.059) 1.389 3.603 ( 0.000 -1.953 4.603) 5.000 3.762 ( 0.000 0.773 4.829) 4.891 4.520 ( 0.000 11.296 11.691) 16.257 4.616 ( -0.000 8.160 13.689) 15.936 5.676 ( 0.000 -3.708 -9.045) 9.775 5.924 ( -0.000 -11.193 -3.258) 11.658 6.601 ( 0.000 1.794 -2.336) 2.945 6.660 ( 0.000 2.360 -0.446) 2.402 6.965 ( 0.000 0.262 -1.643) 1.664 7.074 ( 0.000 -0.854 1.330) 1.581 7.172 ( 0.000 -3.186 1.339) 3.456 7.373 ( 0.000 -1.301 4.790) 4.964 7.655 ( 0.000 -1.787 -3.406) 3.846 8.010 ( -0.000 -3.012 5.087) 5.912 8.013 ( 0.000 2.576 -1.537) 3.000 8.072 ( 0.000 -3.019 5.969) 6.689 8.901 ( 0.000 -12.474 -12.449) 17.623 8.989 ( -0.000 -11.106 -6.682) 12.961 15.484 ( 0.000 -2.859 -0.058) 2.860 15.518 ( -0.000 -5.653 1.253) 5.791 15.558 ( 0.000 -1.078 2.172) 2.425 15.563 ( 0.000 1.947 2.182) 2.924 15.723 ( 0.000 -0.251 -2.189) 2.203 15.783 ( 0.000 1.986 0.215) 1.998 15.811 ( 0.000 -6.691 -2.630) 7.189 15.849 ( -0.000 -3.559 -1.071) 3.717 16.094 ( 0.000 -6.073 0.585) 6.101 16.115 ( -0.000 -5.139 1.309) 5.303 16.279 ( -0.000 -6.824 -1.228) 6.934 16.285 ( 0.000 -6.690 -0.901) 6.751 18.923 ( 0.000 -1.671 -1.512) 2.254 18.980 ( 0.000 -0.062 -0.995) 0.997 19.014 ( 0.000 -0.217 0.671) 0.705 19.032 ( 0.000 1.912 0.177) 1.920 33.709 ( 0.000 4.671 3.102) 5.607 33.714 ( -0.000 4.870 3.319) 5.893 34.544 ( 0.000 8.283 -1.549) 8.427 34.595 ( -0.000 8.297 -0.022) 8.297 35.900 ( -0.000 -1.291 -0.555) 1.405 35.904 ( 0.000 -1.604 -0.495) 1.679 36.941 ( 0.000 4.684 -0.095) 4.685 36.973 ( -0.000 4.095 0.707) 4.155 42.666 ( 0.000 11.546 1.164) 11.605 42.710 ( 0.000 10.148 2.689) 10.499 42.895 ( -0.000 6.997 1.186) 7.097 43.062 ( 0.000 9.790 6.541) 11.774 43.294 ( -0.000 11.403 -2.678) 11.713 43.316 ( 0.000 11.265 -2.210) 11.479 43.479 ( -0.000 6.811 0.407) 6.823 43.545 ( 0.000 3.466 0.159) 3.470 43.719 ( -0.000 6.834 -1.991) 7.118 43.761 ( 0.000 6.377 -2.435) 6.826 43.866 ( 0.000 5.271 -0.391) 5.286 43.939 ( 0.000 5.333 2.200) 5.769 49.011 ( 0.000 -19.478 8.206) 21.136 49.098 ( -0.000 -17.425 9.493) 19.843 50.612 ( 0.000 -14.713 1.475) 14.787 50.631 ( -0.000 -19.872 2.908) 20.084 50.971 ( 0.000 -14.707 -0.433) 14.714 51.054 ( 0.000 -4.609 -6.265) 7.777 51.090 ( -0.000 -14.210 2.009) 14.352 51.152 ( -0.000 -11.391 -3.644) 11.960 51.489 ( 0.000 -17.565 2.178) 17.700 51.533 ( -0.000 -14.803 3.262) 15.158 53.464 ( 0.000 -60.095 -19.452) 63.165 54.079 ( 0.000 -73.593 -0.839) 73.598 91.348 ( 0.000 -0.734 0.901) 1.162 91.353 ( 0.000 -0.597 1.669) 1.772 91.513 ( 0.000 -0.547 -1.363) 1.469 91.542 ( 0.000 -1.979 -0.205) 1.990 91.592 ( 0.000 -3.068 -0.165) 3.073 91.646 ( 0.000 -3.954 2.149) 4.500 91.840 ( 0.000 -4.166 -4.884) 6.419 91.984 ( 0.000 -4.495 0.121) 4.497 93.111 ( 0.000 1.573 5.351) 5.578 93.133 ( -0.000 -1.783 6.704) 6.937 94.118 ( 0.000 -7.376 -12.916) 14.874 94.121 ( -0.000 -6.743 -14.655) 16.132 94.355 ( 0.000 3.317 1.334) 3.575 94.443 ( -0.000 4.160 -0.762) 4.229 94.814 ( 0.000 -1.091 9.026) 9.091 95.111 ( 0.000 -5.224 11.652) 12.769 ======================= Grid point 133 (49/128) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.000 18.349 6.630) 19.510 2.122 ( 0.000 9.791 -3.551) 10.415 2.314 ( 0.000 2.630 -1.049) 2.831 2.469 ( 0.000 2.215 -5.386) 5.824 2.499 ( 0.000 4.883 7.309) 8.790 2.773 ( 0.000 2.341 -4.881) 5.413 2.807 ( 0.000 3.976 -3.189) 5.097 2.934 ( 0.000 11.053 -2.080) 11.247 2.987 ( 0.000 3.991 1.746) 4.356 3.028 ( 0.000 1.515 2.174) 2.649 3.096 ( 0.000 -7.377 -4.679) 8.736 3.222 ( 0.000 2.634 0.257) 2.646 3.226 ( 0.000 1.429 -0.582) 1.543 3.384 ( 0.000 0.813 1.338) 1.565 3.559 ( 0.000 6.687 1.979) 6.974 3.818 ( 0.000 2.174 -1.032) 2.407 4.330 ( 0.000 8.604 15.754) 17.951 5.431 ( 0.000 3.832 -3.646) 5.290 5.526 ( 0.000 -6.349 2.642) 6.877 6.114 ( 0.000 -6.795 -7.322) 9.990 6.485 ( 0.000 -2.579 6.674) 7.155 6.658 ( 0.000 -0.412 5.505) 5.521 6.979 ( 0.000 4.140 -3.189) 5.226 7.076 ( 0.000 0.771 2.441) 2.560 7.229 ( 0.000 -14.633 -5.380) 15.590 7.362 ( 0.000 -1.779 -2.511) 3.077 7.483 ( 0.000 3.601 0.609) 3.653 7.728 ( 0.000 -7.456 10.024) 12.492 8.018 ( 0.000 1.644 0.929) 1.888 8.122 ( 0.000 4.407 -0.404) 4.426 8.233 ( 0.000 -0.696 -0.711) 0.995 9.569 ( 0.000 -17.429 -16.761) 24.181 15.270 ( 0.000 -7.234 1.090) 7.316 15.449 ( 0.000 -7.398 1.987) 7.660 15.477 ( 0.000 -7.708 -1.769) 7.908 15.573 ( 0.000 4.076 2.099) 4.585 15.676 ( 0.000 -6.718 1.306) 6.843 15.732 ( 0.000 -0.101 -0.517) 0.527 15.770 ( 0.000 -3.602 -0.184) 3.607 15.814 ( 0.000 2.193 -2.143) 3.066 15.881 ( 0.000 -5.493 -0.601) 5.526 15.986 ( 0.000 4.265 -1.787) 4.624 16.240 ( 0.000 -6.120 1.366) 6.271 16.373 ( 0.000 -7.468 -0.709) 7.501 18.902 ( 0.000 -0.955 -1.024) 1.400 18.977 ( 0.000 0.139 -0.758) 0.771 19.026 ( 0.000 -1.921 2.233) 2.946 19.173 ( 0.000 2.970 -0.795) 3.075 33.785 ( 0.000 3.797 3.816) 5.383 33.834 ( 0.000 4.491 2.541) 5.160 34.681 ( 0.000 6.537 -0.443) 6.552 34.814 ( 0.000 2.856 -1.488) 3.220 35.704 ( 0.000 -0.957 0.963) 1.358 35.848 ( 0.000 1.324 -1.139) 1.746 36.954 ( 0.000 4.348 1.830) 4.718 37.192 ( 0.000 3.837 -2.133) 4.390 42.432 ( 0.000 -2.725 4.281) 5.075 42.920 ( 0.000 13.038 -3.204) 13.426 43.193 ( 0.000 8.679 0.757) 8.712 43.209 ( 0.000 17.693 -0.739) 17.709 43.302 ( 0.000 14.064 0.901) 14.093 43.433 ( 0.000 11.114 -0.399) 11.122 43.438 ( 0.000 6.940 0.746) 6.980 43.605 ( 0.000 5.236 -3.333) 6.207 43.749 ( 0.000 4.860 5.764) 7.539 44.039 ( 0.000 7.530 -0.529) 7.549 44.136 ( 0.000 4.744 4.693) 6.673 44.374 ( 0.000 9.202 -0.775) 9.235 49.027 ( 0.000 -7.905 14.069) 16.137 49.789 ( 0.000 -24.760 3.632) 25.025 50.038 ( 0.000 -5.268 1.560) 5.494 50.172 ( 0.000 -8.608 -1.897) 8.815 50.197 ( 0.000 -15.631 0.199) 15.633 50.495 ( 0.000 -29.386 4.489) 29.727 50.514 ( 0.000 -12.095 12.087) 17.099 50.802 ( 0.000 -13.619 -2.084) 13.777 51.151 ( 0.000 -9.758 -0.230) 9.761 51.537 ( 0.000 -5.409 -0.823) 5.471 52.181 ( 0.000 -58.035 -12.343) 59.333 52.689 ( 0.000 -45.101 -15.296) 47.624 91.346 ( 0.000 -0.111 0.311) 0.330 91.360 ( 0.000 -0.896 1.245) 1.533 91.434 ( 0.000 -1.419 -0.639) 1.556 91.479 ( 0.000 -2.005 0.127) 2.009 91.540 ( 0.000 -0.306 -0.433) 0.530 91.553 ( 0.000 -0.405 0.457) 0.611 91.680 ( 0.000 -4.288 -1.326) 4.488 91.730 ( 0.000 -4.596 -3.212) 5.607 92.728 ( 0.000 8.719 5.402) 10.257 93.672 ( 0.000 -2.758 -13.794) 14.067 93.742 ( 0.000 2.395 4.656) 5.236 94.171 ( 0.000 -0.680 2.180) 2.283 94.216 ( 0.000 -1.453 -2.345) 2.759 94.510 ( 0.000 -5.519 -4.870) 7.360 94.778 ( 0.000 -6.755 12.195) 13.941 95.315 ( 0.000 -8.256 3.507) 8.970 ======================= Grid point 134 (50/128) ======================= q-point: ( 0.17 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 11.788 15.090 5.757) 19.995 2.144 ( 2.117 10.506 -2.950) 11.116 2.396 ( 0.871 0.927 -5.065) 5.222 2.480 ( 5.355 6.236 2.977) 8.742 2.536 ( 5.591 0.986 0.492) 5.699 2.721 ( -3.402 3.793 -2.568) 5.706 2.781 ( -0.994 5.581 -2.466) 6.182 2.854 ( -5.871 8.783 -4.357) 11.428 3.033 ( 1.139 0.346 3.782) 3.965 3.063 ( 4.535 4.385 0.064) 6.309 3.161 ( 3.067 -3.700 -7.088) 8.564 3.218 ( 0.147 3.021 0.478) 3.062 3.240 ( 2.545 0.424 0.363) 2.605 3.439 ( 3.594 2.881 3.313) 5.674 3.603 ( 4.677 4.025 1.725) 6.407 3.786 ( -3.361 2.196 -0.576) 4.056 4.344 ( 1.880 7.307 15.512) 17.249 5.369 ( -11.077 -3.114 0.608) 11.522 5.484 ( 1.415 0.752 -0.494) 1.677 6.078 ( -4.938 -5.183 -8.636) 11.217 6.420 ( -2.320 -2.818 7.694) 8.516 6.747 ( 6.809 -0.816 4.551) 8.231 6.895 ( -5.697 2.312 -2.665) 6.701 7.067 ( 0.471 -1.112 1.763) 2.137 7.299 ( -3.475 -1.398 -3.760) 5.307 7.410 ( 7.697 -10.238 -2.417) 13.035 7.468 ( 0.322 2.244 0.305) 2.287 7.752 ( 2.788 -5.992 8.538) 10.797 8.026 ( 0.739 1.720 0.817) 2.042 8.122 ( -0.271 3.634 -0.805) 3.732 8.263 ( 3.514 -1.572 -1.116) 4.008 9.435 ( -12.708 -16.348 -15.426) 25.821 15.284 ( 1.387 -7.234 1.164) 7.458 15.438 ( -1.005 -7.353 1.962) 7.676 15.503 ( 2.440 -7.690 -1.816) 8.269 15.578 ( 0.449 4.005 1.882) 4.448 15.690 ( -0.294 -2.735 0.841) 2.876 15.710 ( 0.087 -2.227 -0.012) 2.228 15.751 ( -1.531 -5.967 -1.192) 6.275 15.835 ( 1.031 3.638 -0.746) 3.854 15.906 ( 2.257 -5.099 -0.981) 5.662 15.997 ( 1.272 2.627 -1.618) 3.337 16.208 ( -3.124 -5.838 1.354) 6.759 16.341 ( -3.086 -7.369 -0.735) 8.023 18.900 ( -0.176 -0.982 -0.992) 1.407 18.984 ( 0.611 0.406 -0.991) 1.233 19.012 ( -1.211 -1.824 2.276) 3.158 19.152 ( -1.953 2.908 -0.731) 3.578 33.786 ( 0.159 3.897 3.657) 5.346 33.829 ( -0.479 4.502 2.591) 5.217 34.681 ( 0.092 6.544 -0.555) 6.568 34.793 ( -1.802 3.739 -1.167) 4.312 35.747 ( 3.759 -1.351 0.657) 4.048 35.862 ( 1.218 1.026 -0.994) 1.877 36.964 ( 0.987 4.365 1.593) 4.751 37.167 ( -2.323 4.002 -1.736) 4.942 42.526 ( 8.589 -1.944 3.641) 9.529 42.935 ( 1.015 13.006 -2.191) 13.228 43.129 ( -2.932 14.373 0.758) 14.689 43.296 ( 5.077 10.928 -1.591) 12.154 43.321 ( 1.823 13.224 1.566) 13.440 43.441 ( 0.551 11.135 0.772) 11.176 43.488 ( 4.898 6.901 0.450) 8.475 43.618 ( 1.192 4.807 -3.588) 6.116 43.743 ( -0.446 6.137 4.130) 7.410 44.004 ( -3.267 7.099 -0.581) 7.836 44.108 ( -2.575 4.688 4.412) 6.934 44.312 ( -6.008 8.612 -0.893) 10.538 48.897 ( -10.135 -8.388 10.746) 16.987 49.433 ( -24.483 -17.858 3.343) 30.488 50.135 ( 4.502 -11.303 4.561) 12.993 50.295 ( 6.219 -12.892 -0.841) 14.338 50.330 ( 15.154 -11.142 -1.575) 18.875 50.433 ( 0.600 -19.311 6.252) 20.307 50.736 ( 8.688 -20.429 -0.217) 22.201 50.855 ( 6.394 -16.581 2.649) 17.968 51.126 ( -2.474 -10.925 1.947) 11.369 51.513 ( -2.234 -5.804 -1.116) 6.318 52.233 ( 4.484 -57.692 -11.081) 58.917 52.670 ( -1.249 -48.044 -12.465) 49.650 91.345 ( -0.100 -0.231 0.251) 0.355 91.353 ( -0.465 -0.564 1.024) 1.258 91.442 ( 0.763 -1.595 -0.664) 1.888 91.498 ( 1.662 -2.066 0.337) 2.673 91.540 ( -0.911 -1.395 0.020) 1.666 91.556 ( 1.105 -0.694 -0.347) 1.350 91.692 ( 1.540 -4.161 -2.398) 5.043 91.785 ( 4.332 -4.553 -2.184) 6.654 92.770 ( 4.412 8.053 5.577) 10.743 93.632 ( -7.914 1.763 2.391) 8.453 93.726 ( 3.246 -3.471 -11.260) 12.222 94.192 ( -0.438 -1.938 -2.973) 3.576 94.248 ( 4.408 0.069 0.704) 4.464 94.492 ( -1.425 -4.543 -3.330) 5.810 94.764 ( -1.191 -6.469 11.872) 13.572 95.251 ( -6.060 -7.367 4.175) 10.413 ======================= Grid point 135 (51/128) ======================= q-point: ( 0.33 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 8.492 9.891 3.716) 13.556 2.189 ( 1.504 7.978 0.727) 8.151 2.356 ( -2.426 6.905 -5.533) 9.175 2.568 ( 1.913 5.771 0.677) 6.118 2.638 ( 4.715 1.478 0.756) 4.999 2.737 ( -3.543 3.642 -6.555) 8.294 2.766 ( -0.369 9.184 -4.380) 10.182 2.836 ( 8.212 2.692 -1.587) 8.787 3.083 ( 5.394 1.090 4.846) 7.333 3.129 ( 2.020 3.814 -2.372) 4.925 3.178 ( 0.688 1.411 -7.786) 7.943 3.228 ( 0.473 2.032 0.341) 2.114 3.311 ( 2.638 1.902 1.322) 3.511 3.506 ( 3.206 1.988 3.691) 5.278 3.667 ( -6.644 4.714 1.105) 8.221 3.722 ( 3.937 -0.749 3.781) 5.509 4.434 ( 7.940 4.091 13.638) 16.302 5.051 ( -18.803 -2.740 5.492) 19.780 5.565 ( 6.008 1.217 -2.745) 6.716 5.911 ( -10.242 -1.747 -6.129) 12.063 6.462 ( 5.593 -4.206 4.386) 8.259 6.776 ( -6.544 -1.046 0.151) 6.629 6.890 ( 6.835 1.196 1.210) 7.043 7.084 ( 0.841 -0.971 1.800) 2.212 7.192 ( -6.017 -0.796 -4.523) 7.570 7.382 ( -3.207 -1.692 4.069) 5.450 7.609 ( 5.906 -0.178 -3.467) 6.851 7.831 ( 4.146 -7.416 6.404) 10.640 8.046 ( 1.231 2.008 0.364) 2.383 8.107 ( -1.196 2.615 -0.826) 2.992 8.404 ( 11.234 -6.068 -4.240) 13.454 9.105 ( -19.057 -14.182 -12.062) 26.642 15.321 ( 2.118 -7.248 1.314) 7.665 15.410 ( -1.745 -7.285 1.916) 7.732 15.565 ( 3.340 -7.473 -2.047) 8.438 15.593 ( 1.186 3.680 1.420) 4.119 15.651 ( -2.057 1.812 0.033) 2.741 15.709 ( -2.576 -6.231 -1.172) 6.843 15.762 ( 3.326 -4.407 0.556) 5.549 15.845 ( 0.022 2.145 -0.254) 2.160 15.953 ( 2.253 -1.487 -0.790) 2.812 16.043 ( 2.898 -3.227 -1.653) 4.641 16.129 ( -3.916 -4.501 1.474) 6.145 16.258 ( -4.950 -6.906 -0.773) 8.532 18.897 ( -0.146 -1.069 -0.960) 1.444 18.984 ( -1.196 -1.000 1.376) 2.079 19.004 ( 1.167 0.486 -0.601) 1.399 19.105 ( -2.435 2.528 -0.442) 3.538 33.792 ( 0.383 4.122 3.276) 5.279 33.817 ( -0.669 4.472 2.763) 5.299 34.685 ( 0.312 6.502 -0.908) 6.572 34.755 ( -1.731 5.148 -0.515) 5.456 35.827 ( 3.746 -1.466 0.146) 4.025 35.885 ( 0.760 0.244 -0.656) 1.033 36.994 ( 2.001 4.415 0.942) 4.938 37.109 ( -3.237 4.226 -0.825) 5.387 42.728 ( 10.298 1.724 2.264) 10.684 42.942 ( -0.605 12.537 -0.301) 12.555 43.086 ( -1.300 13.973 0.895) 14.061 43.319 ( -3.224 11.113 4.758) 12.511 43.408 ( 6.290 10.771 -2.341) 12.691 43.475 ( 3.394 8.214 0.187) 8.889 43.614 ( 5.654 7.500 -0.215) 9.394 43.645 ( 1.241 4.986 -2.811) 5.857 43.747 ( 1.909 8.527 0.608) 8.759 43.925 ( -3.869 5.781 -0.977) 7.024 44.048 ( -3.091 4.624 3.591) 6.621 44.153 ( -9.113 7.134 -0.892) 11.608 48.725 ( -5.558 -10.205 5.834) 13.003 48.995 ( -17.611 -14.863 3.308) 23.281 50.206 ( 3.170 -16.325 4.361) 17.192 50.331 ( -1.695 -17.919 3.990) 18.436 50.535 ( 10.367 -12.622 0.301) 16.336 50.724 ( 19.002 -9.262 -2.868) 21.332 50.826 ( 2.845 -15.401 -5.100) 16.471 50.935 ( -2.152 -15.967 -1.666) 16.198 51.071 ( -1.349 -15.683 7.299) 17.350 51.435 ( -6.669 -9.024 -0.925) 11.259 52.316 ( 2.921 -54.199 -10.376) 55.261 52.672 ( 1.664 -57.888 -4.230) 58.066 91.340 ( -0.285 -0.386 0.177) 0.512 91.348 ( -0.154 -0.191 0.768) 0.806 91.462 ( 1.221 -1.948 -0.751) 2.419 91.516 ( -1.325 -2.123 -0.678) 2.593 91.534 ( 1.769 -1.773 0.356) 2.530 91.578 ( 0.761 -1.654 0.588) 1.914 91.735 ( 2.299 -3.817 -3.785) 5.847 91.862 ( 2.659 -5.031 -1.354) 5.849 92.914 ( 10.021 5.778 5.641) 12.870 93.419 ( -12.480 1.785 4.867) 13.514 93.837 ( 7.244 -4.833 -12.956) 15.611 94.138 ( -5.059 -4.258 -8.826) 11.028 94.343 ( 3.894 0.407 1.913) 4.357 94.475 ( 0.033 -1.391 0.580) 1.508 94.750 ( 0.368 -5.228 9.825) 11.136 95.100 ( -8.118 -6.015 6.343) 11.930 ======================= Grid point 136 (52/128) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.000 5.456 2.862) 6.161 2.193 ( 0.000 4.996 4.112) 6.471 2.313 ( 0.000 14.959 -8.278) 17.097 2.602 ( 0.000 7.201 2.566) 7.645 2.703 ( 0.000 -3.950 -9.293) 10.097 2.723 ( 0.000 8.784 -1.280) 8.877 2.735 ( -0.000 6.785 0.018) 6.785 2.899 ( 0.000 -1.228 -1.290) 1.781 3.148 ( 0.000 3.210 -0.877) 3.328 3.154 ( 0.000 3.420 -8.915) 9.549 3.225 ( -0.000 2.578 0.791) 2.697 3.230 ( 0.000 3.823 -2.217) 4.420 3.404 ( -0.000 4.815 1.634) 5.084 3.460 ( 0.000 1.688 1.612) 2.334 3.584 ( 0.000 0.338 5.889) 5.899 3.772 ( 0.000 0.471 5.398) 5.418 4.653 ( 0.000 1.284 7.867) 7.971 4.710 ( -0.000 -0.408 11.690) 11.697 5.712 ( 0.000 -8.247 -5.497) 9.911 5.719 ( -0.000 8.165 -2.502) 8.540 6.575 ( -0.000 -4.472 -0.114) 4.473 6.657 ( 0.000 -2.191 4.401) 4.916 6.989 ( 0.000 1.871 -2.182) 2.874 7.069 ( 0.000 -0.095 1.848) 1.850 7.126 ( 0.000 -1.088 -3.616) 3.776 7.346 ( 0.000 -1.158 4.968) 5.101 7.665 ( 0.000 2.356 -2.777) 3.642 7.877 ( 0.000 -7.453 6.002) 9.570 8.068 ( 0.000 2.703 -0.537) 2.756 8.084 ( 0.000 1.832 -0.051) 1.833 8.663 ( 0.000 -11.353 -11.050) 15.843 8.766 ( -0.000 -11.375 -5.774) 12.757 15.356 ( 0.000 -7.314 1.136) 7.402 15.379 ( -0.000 -7.202 2.147) 7.516 15.607 ( -0.000 -3.024 -1.919) 3.582 15.612 ( 0.000 3.828 0.875) 3.927 15.646 ( 0.000 -0.884 0.654) 1.100 15.653 ( -0.000 -7.679 -1.520) 7.827 15.809 ( 0.000 -1.116 -0.462) 1.208 15.838 ( -0.000 -0.577 0.523) 0.779 15.998 ( 0.000 -2.610 -0.753) 2.716 16.029 ( -0.000 -3.557 0.398) 3.579 16.155 ( -0.000 -6.142 -0.548) 6.167 16.156 ( 0.000 -4.798 -0.553) 4.830 18.895 ( 0.000 -1.140 -0.979) 1.503 18.970 ( 0.000 -1.030 1.736) 2.019 19.023 ( 0.000 1.247 -1.743) 2.143 19.072 ( -0.000 2.038 0.265) 2.055 33.799 ( 0.000 4.318 2.826) 5.160 33.807 ( -0.000 4.361 3.112) 5.358 34.690 ( 0.000 6.392 -1.339) 6.531 34.735 ( -0.000 5.796 0.026) 5.796 35.880 ( -0.000 -0.832 -0.295) 0.883 35.881 ( 0.000 -0.666 -0.251) 0.712 37.036 ( 0.000 4.704 -0.137) 4.706 37.054 ( -0.000 4.036 0.360) 4.052 42.873 ( 0.000 8.018 0.258) 8.022 42.909 ( 0.000 9.344 1.352) 9.441 43.076 ( -0.000 12.150 0.438) 12.158 43.261 ( 0.000 10.284 7.559) 12.763 43.500 ( 0.000 7.806 -3.417) 8.521 43.525 ( -0.000 8.953 -1.654) 9.105 43.644 ( 0.000 10.149 1.091) 10.208 43.646 ( -0.000 8.173 -0.772) 8.209 43.844 ( -0.000 5.668 -1.374) 5.832 43.875 ( 0.000 4.881 -2.060) 5.298 43.976 ( 0.000 5.577 0.078) 5.578 44.044 ( -0.000 5.163 2.405) 5.696 48.689 ( 0.000 -12.500 2.170) 12.687 48.792 ( -0.000 -12.929 4.832) 13.803 50.253 ( 0.000 -18.763 3.503) 19.087 50.296 ( 0.000 -17.226 5.241) 18.006 50.717 ( 0.000 -10.446 -1.670) 10.579 50.808 ( 0.000 -13.962 0.204) 13.964 50.868 ( 0.000 -17.615 -5.146) 18.351 50.944 ( 0.000 -7.525 -2.891) 8.062 51.140 ( 0.000 -16.161 -0.096) 16.161 51.273 ( -0.000 -10.781 2.526) 11.073 52.344 ( 0.000 -51.839 -10.224) 52.837 52.699 ( 0.000 -63.829 0.355) 63.830 91.337 ( 0.000 -0.336 0.070) 0.343 91.346 ( 0.000 -0.167 0.762) 0.780 91.488 ( -0.000 -2.662 -0.731) 2.760 91.490 ( 0.000 -1.760 -0.933) 1.992 91.556 ( 0.000 -1.316 0.020) 1.316 91.584 ( 0.000 -2.287 1.342) 2.652 91.762 ( 0.000 -3.636 -4.768) 5.996 91.886 ( 0.000 -5.184 -0.638) 5.223 93.136 ( 0.000 1.820 4.638) 4.982 93.174 ( -0.000 4.395 6.042) 7.471 93.981 ( 0.000 -6.485 -12.257) 13.867 94.015 ( -0.000 -4.247 -11.598) 12.351 94.383 ( 0.000 -0.074 2.383) 2.384 94.479 ( 0.000 -0.154 2.919) 2.924 94.771 ( 0.000 -3.004 5.890) 6.612 94.994 ( 0.000 -6.277 9.348) 11.259 ======================= Grid point 140 (53/128) ======================= q-point: ( 0.00 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.000 16.512 5.041) 17.264 2.132 ( 0.000 -5.363 4.146) 6.779 2.368 ( 0.000 3.001 0.809) 3.108 2.524 ( 0.000 1.982 -3.286) 3.838 2.622 ( 0.000 6.417 -0.591) 6.445 2.816 ( 0.000 2.756 -1.901) 3.348 2.856 ( 0.000 1.087 -3.816) 3.967 2.895 ( 0.000 -8.498 2.150) 8.766 3.023 ( 0.000 -1.109 4.293) 4.434 3.136 ( 0.000 7.531 -5.693) 9.441 3.165 ( 0.000 8.995 -4.027) 9.855 3.247 ( 0.000 1.235 -0.158) 1.245 3.309 ( 0.000 5.546 -1.637) 5.783 3.368 ( 0.000 -1.898 0.741) 2.038 3.681 ( 0.000 5.335 1.261) 5.482 3.909 ( 0.000 7.279 0.752) 7.317 4.263 ( 0.000 -12.045 15.812) 19.877 5.333 ( 0.000 -12.621 3.653) 13.139 5.670 ( 0.000 15.942 -9.639) 18.630 6.011 ( 0.000 -3.821 -6.783) 7.785 6.458 ( 0.000 -0.077 6.351) 6.351 6.626 ( 0.000 -2.654 5.947) 6.512 6.969 ( 0.000 -9.785 -0.308) 9.790 7.031 ( 0.000 1.757 -1.639) 2.402 7.128 ( 0.000 3.534 -0.795) 3.623 7.311 ( 0.000 -3.246 -1.553) 3.598 7.428 ( 0.000 -5.387 5.694) 7.839 7.790 ( 0.000 9.342 0.528) 9.357 8.053 ( 0.000 1.788 1.407) 2.276 8.212 ( 0.000 4.381 -1.089) 4.515 8.217 ( 0.000 -0.849 0.282) 0.895 9.200 ( 0.000 -19.585 -13.828) 23.974 15.138 ( 0.000 -5.861 1.271) 5.997 15.316 ( 0.000 -5.826 1.918) 6.134 15.333 ( 0.000 -6.517 -1.428) 6.671 15.550 ( 0.000 -5.176 0.874) 5.249 15.607 ( 0.000 -6.520 -2.366) 6.936 15.663 ( 0.000 3.654 1.781) 4.065 15.725 ( 0.000 -5.816 -1.290) 5.957 15.832 ( 0.000 3.803 1.670) 4.154 15.906 ( 0.000 3.001 -1.212) 3.236 16.055 ( 0.000 2.377 -2.024) 3.121 16.132 ( 0.000 -4.517 1.372) 4.721 16.237 ( 0.000 -5.954 -0.194) 5.958 18.888 ( 0.000 -0.482 -0.401) 0.627 18.973 ( 0.000 -1.064 1.445) 1.794 19.004 ( 0.000 0.056 0.248) 0.255 19.228 ( 0.000 2.454 -1.672) 2.970 33.849 ( 0.000 2.661 3.610) 4.485 33.914 ( 0.000 3.434 2.342) 4.157 34.788 ( 0.000 4.311 -0.511) 4.341 34.857 ( 0.000 1.594 -0.743) 1.759 35.687 ( 0.000 -0.754 1.297) 1.500 35.873 ( 0.000 1.101 -1.406) 1.786 37.036 ( 0.000 3.774 1.697) 4.138 37.261 ( 0.000 3.054 -1.725) 3.508 42.376 ( 0.000 -2.742 5.326) 5.990 43.140 ( 0.000 8.324 -7.583) 11.260 43.372 ( 0.000 9.722 3.596) 10.366 43.555 ( 0.000 16.217 -2.413) 16.395 43.566 ( 0.000 5.757 0.740) 5.804 43.589 ( 0.000 13.999 -0.241) 14.001 43.616 ( 0.000 7.089 -0.839) 7.139 43.701 ( 0.000 4.473 -2.121) 4.950 43.858 ( 0.000 6.448 8.989) 11.062 44.174 ( 0.000 5.516 0.287) 5.524 44.234 ( 0.000 5.286 1.972) 5.642 44.538 ( 0.000 7.041 -1.508) 7.201 48.893 ( 0.000 -6.947 1.013) 7.020 49.157 ( 0.000 -35.003 1.299) 35.027 49.775 ( 0.000 -18.080 3.507) 18.417 49.937 ( 0.000 -11.012 -0.459) 11.021 50.044 ( 0.000 -16.307 8.550) 18.413 50.075 ( 0.000 -3.177 -1.597) 3.556 50.304 ( 0.000 -9.858 0.754) 9.887 50.544 ( 0.000 -12.450 2.348) 12.669 50.991 ( 0.000 -5.968 1.170) 6.081 51.220 ( 0.000 -36.515 -5.467) 36.922 51.435 ( 0.000 -5.248 -3.414) 6.261 51.970 ( 0.000 -27.842 -10.366) 29.709 91.344 ( 0.000 -0.121 -0.087) 0.149 91.354 ( 0.000 0.103 -0.225) 0.248 91.405 ( 0.000 -1.270 -0.057) 1.271 91.444 ( 0.000 -1.542 -0.126) 1.547 91.532 ( 0.000 -0.593 -1.275) 1.406 91.549 ( 0.000 -0.113 0.367) 0.384 91.605 ( 0.000 -3.005 -0.712) 3.088 91.651 ( 0.000 -3.362 -4.122) 5.319 92.900 ( 0.000 8.488 4.729) 9.716 93.615 ( 0.000 -3.149 -9.001) 9.536 93.775 ( 0.000 1.083 4.153) 4.292 94.170 ( 0.000 0.656 1.750) 1.869 94.188 ( 0.000 -1.313 -1.925) 2.330 94.409 ( 0.000 -4.598 -2.501) 5.234 94.648 ( 0.000 -6.021 9.923) 11.607 95.150 ( 0.000 -8.047 1.075) 8.119 ======================= Grid point 141 (54/128) ======================= q-point: ( 0.17 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 6.147 11.802 4.063) 13.913 2.172 ( 4.145 -2.844 4.021) 6.437 2.429 ( -2.909 1.876 -2.985) 4.571 2.552 ( 10.207 1.123 0.393) 10.276 2.630 ( 3.455 7.248 -1.316) 8.136 2.755 ( -4.787 -0.534 -2.419) 5.390 2.833 ( -0.019 1.667 -0.454) 1.728 2.983 ( 0.818 -1.059 0.527) 1.439 3.051 ( 2.525 1.864 2.833) 4.228 3.122 ( 2.551 5.268 -4.079) 7.134 3.194 ( 1.543 5.488 -5.448) 7.885 3.258 ( 1.461 1.144 -0.178) 1.864 3.301 ( 0.036 5.162 -1.882) 5.494 3.455 ( 6.610 -0.497 1.631) 6.826 3.686 ( 0.541 4.057 1.863) 4.497 3.884 ( -2.597 7.792 1.206) 8.302 4.278 ( 1.728 -11.237 15.240) 19.014 5.213 ( -11.396 -11.862 4.472) 17.046 5.659 ( -0.761 12.944 -10.090) 16.430 6.022 ( 0.296 -0.956 -8.165) 8.226 6.388 ( -4.043 0.090 8.706) 9.599 6.686 ( 3.770 -4.543 5.643) 8.167 6.917 ( -2.313 -0.956 -1.474) 2.904 7.055 ( 1.043 0.207 0.447) 1.154 7.222 ( 3.149 -3.405 -3.050) 5.551 7.296 ( 2.209 -2.637 -1.442) 3.730 7.430 ( 0.979 -4.083 5.064) 6.579 7.800 ( 0.836 8.091 0.529) 8.151 8.062 ( 0.867 1.841 1.314) 2.422 8.187 ( -1.457 2.150 -0.365) 2.623 8.247 ( 2.138 0.526 -0.649) 2.295 9.088 ( -10.777 -18.575 -12.779) 24.990 15.152 ( 1.384 -5.862 1.337) 6.170 15.305 ( -0.989 -5.869 1.867) 6.237 15.360 ( 2.560 -6.413 -1.476) 7.061 15.574 ( 2.084 -4.857 0.474) 5.307 15.593 ( -0.990 -6.253 -1.941) 6.622 15.671 ( 0.673 3.364 1.797) 3.872 15.715 ( -0.849 -3.578 -0.854) 3.775 15.851 ( 1.769 1.168 0.722) 2.239 15.901 ( -0.702 2.344 -0.559) 2.510 16.052 ( -0.363 1.866 -1.975) 2.741 16.111 ( -1.852 -3.470 1.152) 4.098 16.208 ( -2.737 -5.742 -0.184) 6.364 18.886 ( -0.193 -0.473 -0.351) 0.620 18.972 ( -0.356 -1.604 2.412) 2.918 19.003 ( 0.309 0.813 -0.908) 1.257 19.205 ( -2.137 2.373 -1.559) 3.554 33.853 ( 0.341 2.754 3.474) 4.446 33.909 ( -0.497 3.420 2.397) 4.205 34.789 ( 0.064 4.290 -0.580) 4.329 34.849 ( -0.732 2.019 -0.631) 2.239 35.725 ( 3.490 -0.848 1.050) 3.742 35.882 ( 0.752 0.912 -1.224) 1.701 37.046 ( 0.964 3.742 1.485) 4.140 37.239 ( -2.098 3.162 -1.444) 4.061 42.481 ( 9.986 -2.335 4.622) 11.249 43.161 ( 1.536 8.997 -6.602) 11.264 43.377 ( 0.320 10.659 2.708) 11.002 43.521 ( -1.704 12.313 -1.286) 12.497 43.591 ( 0.746 9.116 -0.154) 9.148 43.619 ( 4.410 8.043 0.625) 9.194 43.643 ( 1.005 9.479 0.094) 9.533 43.710 ( 1.001 5.498 -1.583) 5.808 43.871 ( 1.672 6.710 6.035) 9.178 44.130 ( -4.167 4.964 0.184) 6.484 44.205 ( -2.750 5.282 1.968) 6.272 44.463 ( -7.146 6.425 -1.324) 9.700 48.771 ( -9.817 -5.276 0.784) 11.172 48.987 ( -13.966 -25.626 1.063) 29.204 49.808 ( 2.256 -18.412 3.770) 18.929 49.998 ( 0.247 -16.538 4.004) 17.017 50.141 ( 11.157 -11.375 1.936) 16.050 50.170 ( 11.235 -5.222 0.044) 12.390 50.382 ( 6.333 -14.836 -1.417) 16.193 50.570 ( 2.446 -13.191 2.968) 13.740 50.947 ( -4.340 -6.937 1.726) 8.363 51.270 ( 4.603 -36.461 -4.834) 37.067 51.410 ( -2.655 -5.276 -3.107) 6.674 51.900 ( -6.683 -30.161 -9.408) 32.294 91.341 ( -0.242 -0.132 -0.339) 0.437 91.350 ( -0.245 0.075 -0.053) 0.261 91.411 ( 0.599 -1.305 -0.137) 1.443 91.462 ( 1.622 -1.608 -0.005) 2.283 91.517 ( -1.932 -0.882 -0.256) 2.139 91.545 ( 0.696 -0.578 -0.963) 1.321 91.620 ( 1.819 -2.929 -1.692) 3.841 91.706 ( 3.883 -3.385 -2.891) 5.907 92.931 ( 3.272 8.063 4.735) 9.906 93.647 ( 2.726 -2.668 -8.353) 9.182 93.675 ( -8.209 0.580 3.456) 8.926 94.150 ( -2.623 -2.097 -3.723) 5.014 94.250 ( 4.904 0.075 1.665) 5.179 94.414 ( 0.912 -3.309 -0.770) 3.518 94.638 ( -0.683 -5.821 9.649) 11.290 95.102 ( -4.644 -7.337 1.507) 8.813 ======================= Grid point 142 (55/128) ======================= q-point: ( 0.33 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 3.313 7.179 3.454) 8.628 2.246 ( 1.669 -1.223 4.665) 5.103 2.401 ( 2.790 -0.751 -4.905) 5.693 2.644 ( -5.803 0.166 -5.120) 7.741 2.667 ( 5.527 3.737 -1.754) 6.899 2.815 ( 3.498 4.831 -0.538) 5.989 2.869 ( 2.324 0.552 2.085) 3.170 2.955 ( -1.212 6.987 -2.624) 7.561 3.119 ( 8.825 3.013 7.491) 11.961 3.199 ( 2.666 1.444 -4.263) 5.231 3.216 ( 0.732 3.288 -8.272) 8.932 3.292 ( 1.518 4.106 -1.851) 4.753 3.357 ( 5.392 3.106 -0.174) 6.225 3.562 ( 2.878 3.129 4.141) 5.935 3.687 ( -2.303 -0.109 2.029) 3.071 3.820 ( -2.179 8.863 3.485) 9.770 4.356 ( 6.868 -10.297 13.147) 18.057 4.914 ( -17.383 -10.610 6.459) 21.365 5.653 ( 0.246 6.774 -11.355) 13.225 5.986 ( -3.530 7.055 -5.976) 9.897 6.381 ( 3.457 -3.216 7.340) 8.727 6.686 ( -4.272 -5.582 5.529) 8.942 6.937 ( 4.286 1.665 -1.133) 4.736 7.073 ( 0.470 -0.117 0.164) 0.512 7.172 ( -3.818 -0.884 -4.152) 5.710 7.344 ( -0.654 -1.979 3.756) 4.296 7.562 ( 10.832 -4.396 -1.198) 11.752 7.807 ( -0.664 4.796 0.155) 4.844 8.086 ( 1.464 1.938 0.963) 2.613 8.155 ( -1.716 2.055 -0.068) 2.678 8.317 ( 5.423 -2.885 -2.190) 6.522 8.808 ( -15.906 -15.686 -9.732) 24.367 15.189 ( 2.110 -5.854 1.451) 6.390 15.278 ( -1.724 -5.884 1.905) 6.421 15.425 ( 3.671 -6.256 -1.794) 7.472 15.555 ( -2.196 -6.035 -2.129) 6.766 15.641 ( 3.406 -3.218 0.223) 4.691 15.685 ( 0.436 2.346 1.664) 2.909 15.704 ( 0.523 -1.078 0.205) 1.215 15.860 ( -2.910 -1.298 0.087) 3.187 15.904 ( 2.735 -1.176 0.176) 2.982 16.032 ( -1.896 0.258 -1.415) 2.380 16.077 ( -1.104 -1.062 -0.002) 1.532 16.143 ( -3.062 -3.944 -0.041) 4.993 18.881 ( -0.174 -0.440 -0.265) 0.543 18.956 ( -0.976 -1.551 2.555) 3.144 19.025 ( 1.801 1.326 -1.591) 2.745 19.151 ( -2.985 2.028 -1.156) 3.789 33.863 ( 0.638 2.978 3.137) 4.372 33.895 ( -0.781 3.341 2.575) 4.290 34.791 ( 0.173 4.188 -0.796) 4.266 34.833 ( -0.778 2.830 -0.345) 2.955 35.806 ( 4.081 -0.760 0.487) 4.180 35.892 ( -0.015 0.404 -0.754) 0.856 37.075 ( 1.979 3.664 0.904) 4.261 37.185 ( -3.075 3.361 -0.741) 4.615 42.739 ( 14.603 -0.232 2.780) 14.867 43.163 ( -2.438 9.223 -3.480) 10.154 43.370 ( -1.236 13.897 0.275) 13.955 43.514 ( -1.082 8.028 2.907) 8.607 43.565 ( -0.948 6.776 0.394) 6.854 43.656 ( 1.770 7.230 -0.716) 7.478 43.754 ( 7.836 7.897 -0.226) 11.127 43.772 ( 4.784 7.504 -1.348) 9.001 43.910 ( 1.480 7.372 1.881) 7.750 44.025 ( -5.687 3.813 -0.656) 6.879 44.137 ( -3.518 4.608 2.330) 6.248 44.277 ( -10.566 5.187 -0.619) 11.787 48.588 ( -7.116 -4.366 0.020) 8.349 48.715 ( -11.222 -13.195 1.184) 17.362 49.855 ( 2.340 -17.976 3.930) 18.548 49.975 ( -1.796 -17.318 5.747) 18.335 50.343 ( 10.849 -8.481 0.154) 13.772 50.432 ( 6.081 -16.056 -5.214) 17.943 50.587 ( 16.583 -11.834 -0.895) 20.392 50.620 ( 2.445 -14.235 1.906) 14.569 50.828 ( -6.675 -8.778 3.825) 11.672 51.299 ( -8.301 -6.332 -2.843) 10.821 51.392 ( 5.839 -35.341 -3.820) 36.024 51.736 ( -8.428 -37.080 -6.093) 38.511 91.336 ( -0.237 -0.080 -0.594) 0.645 91.346 ( -0.136 -0.007 0.049) 0.145 91.428 ( 0.987 -1.417 -0.314) 1.755 91.480 ( -1.535 -1.517 -0.572) 2.232 91.502 ( 1.988 -1.420 0.184) 2.450 91.555 ( 0.099 -0.837 -0.053) 0.844 91.669 ( 2.598 -2.745 -3.056) 4.860 91.770 ( 2.065 -4.145 -2.073) 5.073 93.038 ( 7.495 6.528 4.524) 10.920 93.465 ( -11.330 2.595 4.548) 12.481 93.747 ( 6.327 -4.291 -9.378) 12.099 94.059 ( -6.373 -3.697 -7.180) 10.288 94.332 ( 3.022 -1.138 3.187) 4.537 94.447 ( 1.306 -1.558 2.563) 3.272 94.648 ( 2.657 -4.483 6.744) 8.523 94.979 ( -7.107 -5.919 2.990) 9.721 ======================= Grid point 143 (56/128) ======================= q-point: (-0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 0.000 2.625 3.148) 4.098 2.274 ( 0.000 3.273 4.838) 5.841 2.504 ( 0.000 4.458 -6.020) 7.491 2.526 ( -0.000 -7.709 -6.546) 10.113 2.751 ( -0.000 4.501 -1.385) 4.709 2.838 ( 0.000 -0.334 0.725) 0.798 2.883 ( -0.000 6.780 1.870) 7.033 2.906 ( 0.000 5.119 0.742) 5.173 3.208 ( -0.000 2.462 -1.803) 3.052 3.220 ( 0.000 2.628 -8.564) 8.958 3.275 ( 0.000 1.689 -2.360) 2.902 3.351 ( 0.000 8.587 -1.778) 8.769 3.482 ( -0.000 1.293 1.732) 2.161 3.514 ( 0.000 4.318 2.441) 4.961 3.622 ( 0.000 3.414 5.763) 6.698 3.817 ( 0.000 5.303 5.592) 7.707 4.562 ( 0.000 -13.683 11.332) 17.766 4.589 ( -0.000 -6.671 7.765) 10.237 5.660 ( 0.000 2.753 -12.563) 12.861 5.939 ( 0.000 11.563 -2.723) 11.879 6.453 ( -0.000 -6.509 2.783) 7.079 6.603 ( 0.000 -2.716 7.838) 8.295 7.016 ( -0.000 0.631 -1.873) 1.977 7.054 ( 0.000 -1.325 -0.390) 1.381 7.130 ( 0.000 1.317 -3.807) 4.029 7.330 ( 0.000 -0.730 4.832) 4.887 7.734 ( -0.000 4.104 -1.312) 4.308 7.756 ( 0.000 -4.162 -0.942) 4.268 8.114 ( 0.000 1.848 0.316) 1.875 8.125 ( 0.000 2.182 0.536) 2.247 8.459 ( -0.000 -9.214 -7.282) 11.745 8.545 ( 0.000 -10.759 -4.063) 11.501 15.224 ( 0.000 -5.787 1.221) 5.914 15.247 ( -0.000 -5.953 2.212) 6.351 15.486 ( 0.000 -5.981 -2.565) 6.508 15.511 ( -0.000 -6.374 -1.481) 6.543 15.676 ( -0.000 0.693 0.274) 0.745 15.680 ( 0.000 2.454 0.466) 2.497 15.756 ( 0.000 -3.297 0.590) 3.349 15.789 ( -0.000 -3.223 1.813) 3.697 15.959 ( 0.000 -3.216 -1.061) 3.387 15.987 ( -0.000 -0.176 -0.331) 0.375 16.066 ( 0.000 -1.960 -1.111) 2.253 16.111 ( 0.000 -0.334 0.284) 0.438 18.880 ( 0.000 -0.412 -0.237) 0.475 18.944 ( 0.000 -1.456 2.465) 2.863 19.056 ( 0.000 1.925 -2.514) 3.166 19.107 ( -0.000 1.417 -0.194) 1.430 33.874 ( 0.000 3.246 2.691) 4.216 33.882 ( -0.000 3.141 2.944) 4.305 34.794 ( 0.000 4.065 -1.024) 4.192 34.824 ( 0.000 3.268 -0.086) 3.269 35.870 ( -0.000 -0.259 -0.191) 0.322 35.873 ( 0.000 -0.246 -0.109) 0.269 37.121 ( 0.000 3.751 0.011) 3.751 37.128 ( -0.000 3.319 0.208) 3.326 42.985 ( -0.000 4.021 -0.699) 4.081 43.053 ( 0.000 4.795 0.906) 4.880 43.351 ( 0.000 14.271 -0.397) 14.276 43.468 ( 0.000 10.640 6.196) 12.312 43.604 ( 0.000 4.079 -4.140) 5.812 43.667 ( 0.000 5.848 0.754) 5.896 43.854 ( 0.000 10.932 -1.497) 11.034 43.860 ( -0.000 10.727 -0.030) 10.727 43.937 ( 0.000 3.759 0.126) 3.761 43.944 ( 0.000 1.910 -1.360) 2.345 44.077 ( 0.000 4.475 0.538) 4.507 44.136 ( -0.000 3.968 2.275) 4.574 48.515 ( 0.000 -5.491 -0.680) 5.533 48.594 ( 0.000 -7.220 1.606) 7.396 49.887 ( -0.000 -17.809 3.602) 18.170 49.948 ( 0.000 -17.358 6.242) 18.446 50.481 ( 0.000 -18.795 -5.687) 19.636 50.541 ( -0.000 -13.311 -1.553) 13.402 50.569 ( 0.000 -5.833 0.840) 5.893 50.712 ( 0.000 -13.389 4.973) 14.283 50.926 ( 0.000 -7.378 -4.869) 8.840 51.098 ( -0.000 -7.859 1.445) 7.991 51.479 ( 0.000 -33.941 -6.170) 34.497 51.627 ( 0.000 -43.382 -1.670) 43.414 91.333 ( 0.000 -0.076 -0.652) 0.657 91.345 ( 0.000 -0.009 0.034) 0.035 91.448 ( -0.000 -1.353 -0.523) 1.450 91.453 ( 0.000 -1.719 -0.473) 1.783 91.532 ( 0.000 -1.094 -0.021) 1.094 91.550 ( -0.000 -1.357 0.593) 1.481 91.701 ( 0.000 -2.503 -4.067) 4.776 91.787 ( 0.000 -4.615 -1.305) 4.796 93.194 ( 0.000 3.777 2.876) 4.747 93.270 ( -0.000 4.993 6.187) 7.951 93.863 ( 0.000 -5.289 -10.259) 11.543 93.941 ( -0.000 -3.557 -7.373) 8.186 94.367 ( 0.000 -1.155 3.233) 3.433 94.450 ( 0.000 -2.483 5.779) 6.290 94.712 ( 0.000 -2.432 1.560) 2.889 94.874 ( 0.000 -5.682 5.853) 8.158 ======================= Grid point 147 (57/128) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 -4.993 11.447) 12.489 2.318 ( 0.000 8.017 3.413) 8.713 2.458 ( 0.000 7.700 2.202) 8.009 2.541 ( 0.000 0.448 -3.017) 3.050 2.641 ( 0.000 -3.742 -3.005) 4.799 2.784 ( 0.000 -2.187 2.133) 3.055 2.859 ( 0.000 -0.472 -3.970) 3.998 2.954 ( 0.000 -5.646 2.905) 6.349 2.967 ( 0.000 11.014 1.425) 11.106 3.243 ( 0.000 3.524 -4.587) 5.785 3.266 ( 0.000 1.884 -0.840) 2.063 3.283 ( 0.000 2.366 -1.056) 2.591 3.328 ( 0.000 -1.908 0.657) 2.018 3.423 ( 0.000 2.792 -5.972) 6.592 3.774 ( 0.000 3.848 -0.560) 3.888 3.998 ( 0.000 -11.598 17.989) 21.403 4.080 ( 0.000 8.857 -0.343) 8.863 5.070 ( 0.000 -12.449 7.442) 14.504 5.897 ( 0.000 5.242 -20.206) 20.875 5.955 ( 0.000 -1.929 -5.342) 5.680 6.471 ( 0.000 1.034 4.512) 4.629 6.604 ( 0.000 1.728 10.531) 10.672 6.850 ( 0.000 -3.168 1.304) 3.426 7.073 ( 0.000 2.612 -1.408) 2.968 7.178 ( 0.000 0.707 -3.106) 3.185 7.247 ( 0.000 -2.470 -0.434) 2.507 7.355 ( 0.000 -1.957 5.027) 5.394 8.002 ( 0.000 11.632 -0.842) 11.662 8.084 ( 0.000 1.197 2.039) 2.365 8.202 ( 0.000 -0.614 0.488) 0.785 8.284 ( 0.000 2.664 -1.347) 2.985 8.815 ( 0.000 -18.533 -10.412) 21.258 15.047 ( 0.000 -3.247 1.321) 3.506 15.226 ( 0.000 -3.180 1.845) 3.676 15.230 ( 0.000 -3.651 -1.249) 3.859 15.470 ( 0.000 -2.767 0.797) 2.879 15.504 ( 0.000 -3.668 -2.190) 4.272 15.621 ( 0.000 -3.589 -1.527) 3.900 15.734 ( 0.000 2.456 1.918) 3.116 15.892 ( 0.000 2.125 1.219) 2.450 15.952 ( 0.000 1.531 -1.278) 1.995 16.048 ( 0.000 -2.060 0.806) 2.212 16.088 ( 0.000 -1.082 -1.846) 2.139 16.158 ( 0.000 -1.489 0.745) 1.665 18.883 ( 0.000 -0.032 0.369) 0.370 18.948 ( 0.000 -1.102 2.125) 2.394 19.014 ( 0.000 0.556 -0.663) 0.865 19.266 ( 0.000 1.382 -2.394) 2.765 33.889 ( 0.000 1.334 3.570) 3.811 33.967 ( 0.000 1.850 2.197) 2.872 34.852 ( 0.000 2.155 -0.540) 2.222 34.878 ( 0.000 0.565 -0.513) 0.763 35.675 ( 0.000 -0.414 1.535) 1.590 35.890 ( 0.000 0.623 -1.588) 1.705 37.097 ( 0.000 2.189 1.665) 2.750 37.309 ( 0.000 1.692 -1.434) 2.217 42.331 ( 0.000 -1.717 5.903) 6.148 43.250 ( 0.000 3.289 -8.785) 9.380 43.546 ( 0.000 6.829 2.314) 7.211 43.653 ( 0.000 2.945 0.142) 2.949 43.694 ( 0.000 2.151 1.687) 2.733 43.772 ( 0.000 3.334 -0.452) 3.365 43.819 ( 0.000 8.639 -1.418) 8.754 43.833 ( 0.000 9.054 -0.382) 9.062 44.009 ( 0.000 8.172 5.200) 9.686 44.247 ( 0.000 2.201 2.237) 3.138 44.331 ( 0.000 3.715 -0.962) 3.837 44.644 ( 0.000 3.639 -2.309) 4.310 48.478 ( 0.000 -24.640 0.788) 24.652 48.848 ( 0.000 -3.294 -4.629) 5.681 49.449 ( 0.000 -13.335 3.513) 13.790 49.754 ( 0.000 -6.754 -0.544) 6.776 49.811 ( 0.000 -7.815 10.862) 13.381 49.924 ( 0.000 -11.597 0.633) 11.614 50.185 ( 0.000 -0.718 -4.011) 4.075 50.336 ( 0.000 -7.907 4.011) 8.866 50.774 ( 0.000 -11.020 -2.949) 11.407 50.924 ( 0.000 -0.913 2.694) 2.844 51.307 ( 0.000 -8.022 -7.357) 10.884 51.592 ( 0.000 -10.318 -6.091) 11.982 91.341 ( 0.000 -0.165 -0.553) 0.577 91.359 ( 0.000 0.300 -0.874) 0.924 91.388 ( 0.000 -0.501 0.049) 0.504 91.419 ( 0.000 -0.968 0.134) 0.977 91.514 ( 0.000 -1.082 -2.308) 2.549 91.548 ( 0.000 -0.013 0.448) 0.448 91.568 ( 0.000 -0.894 0.291) 0.940 91.600 ( 0.000 -1.788 -4.433) 4.780 93.051 ( 0.000 6.260 3.827) 7.337 93.549 ( 0.000 -3.191 -5.152) 6.060 93.788 ( 0.000 0.331 3.797) 3.811 94.167 ( 0.000 -0.781 -1.754) 1.920 94.196 ( 0.000 1.842 1.498) 2.375 94.328 ( 0.000 -3.648 -0.358) 3.666 94.553 ( 0.000 -3.307 7.400) 8.106 95.016 ( 0.000 -5.074 -0.832) 5.142 ======================= Grid point 148 (58/128) ======================= q-point: ( 0.17 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 3.900 -4.958 9.869) 11.712 2.378 ( 2.799 9.697 3.385) 10.645 2.459 ( -4.741 1.246 -2.620) 5.559 2.577 ( 8.874 1.533 0.842) 9.045 2.679 ( 5.801 -1.862 -1.519) 6.279 2.715 ( -3.599 -1.382 -0.483) 3.885 2.933 ( 0.831 -0.928 2.659) 2.936 2.964 ( 0.939 7.444 2.597) 7.940 3.039 ( 8.743 -1.273 -2.075) 9.075 3.224 ( -2.189 3.073 -3.470) 5.126 3.265 ( 0.757 1.429 -1.710) 2.354 3.284 ( 0.366 1.685 -2.013) 2.651 3.374 ( 2.499 0.632 -3.051) 3.994 3.468 ( 5.711 1.558 -1.016) 6.007 3.770 ( -0.451 4.343 0.942) 4.466 4.015 ( 1.214 -8.571 11.662) 14.523 4.074 ( -0.218 6.247 4.320) 7.599 4.960 ( -10.553 -12.239 7.803) 17.945 5.852 ( -3.065 5.913 -17.358) 18.592 6.002 ( 3.122 -2.139 -9.846) 10.548 6.426 ( -3.361 2.755 7.175) 8.388 6.622 ( 0.770 -0.696 9.928) 9.982 6.880 ( 2.524 -1.855 0.123) 3.135 7.078 ( 0.366 1.858 -1.084) 2.182 7.186 ( -0.191 -1.326 -2.026) 2.429 7.265 ( 2.788 -0.834 -0.569) 2.965 7.366 ( 1.686 -1.956 3.150) 4.073 7.997 ( -0.752 11.190 -1.204) 11.280 8.094 ( 0.966 1.304 1.900) 2.499 8.196 ( -0.598 -0.317 0.595) 0.901 8.284 ( -0.003 2.061 -1.251) 2.411 8.719 ( -9.089 -18.028 -9.369) 22.257 15.061 ( 1.388 -3.246 1.381) 3.791 15.214 ( -1.012 -3.256 1.617) 3.774 15.260 ( 2.660 -3.551 -1.126) 4.577 15.491 ( -0.984 -3.504 -1.986) 4.146 15.497 ( 2.474 -2.818 0.562) 3.792 15.632 ( 1.040 -3.321 -1.348) 3.732 15.735 ( 0.081 2.308 1.771) 2.910 15.884 ( -1.155 1.004 -0.012) 1.530 15.930 ( -1.812 0.970 0.917) 2.251 16.050 ( 0.158 -0.675 0.016) 0.694 16.076 ( -1.286 -1.777 -1.761) 2.813 16.139 ( -1.491 -0.724 0.530) 1.740 18.881 ( -0.142 0.002 0.442) 0.465 18.944 ( -0.528 -1.169 2.307) 2.639 19.019 ( 0.754 0.700 -1.029) 1.455 19.242 ( -2.297 1.325 -2.275) 3.494 33.894 ( 0.485 1.390 3.436) 3.739 33.961 ( -0.534 1.835 2.256) 2.956 34.852 ( 0.013 2.136 -0.570) 2.211 34.876 ( -0.230 0.730 -0.477) 0.902 35.713 ( 3.470 -0.417 1.290) 3.725 35.896 ( 0.485 0.534 -1.380) 1.557 37.106 ( 0.899 2.159 1.467) 2.761 37.288 ( -1.953 1.748 -1.202) 2.883 42.442 ( 10.713 -1.520 5.143) 11.980 43.282 ( 2.630 3.617 -8.926) 9.984 43.557 ( 1.040 7.098 3.001) 7.776 43.664 ( 0.735 1.425 -0.669) 1.738 43.719 ( -3.799 6.159 -1.541) 7.398 43.734 ( 3.989 3.745 1.795) 5.758 43.816 ( -1.274 5.981 1.374) 6.268 43.871 ( 3.258 8.638 -0.997) 9.286 44.008 ( 0.266 6.789 4.078) 7.924 44.192 ( -5.223 1.638 2.176) 5.890 44.302 ( -2.776 3.814 -0.863) 4.795 44.559 ( -8.093 3.215 -1.770) 8.886 48.458 ( -1.685 -20.070 0.516) 20.147 48.754 ( -7.823 -1.238 -3.506) 8.662 49.479 ( 2.486 -13.684 3.521) 14.346 49.748 ( -2.054 -8.499 5.672) 10.422 49.940 ( 11.998 -7.920 1.469) 14.451 50.002 ( 8.694 -12.438 1.796) 15.281 50.204 ( 1.779 -1.656 -3.358) 4.145 50.349 ( 1.280 -8.280 4.184) 9.365 50.810 ( 2.530 -9.664 -3.334) 10.531 50.879 ( -3.543 -2.654 2.746) 5.209 51.277 ( -2.977 -9.501 -7.359) 12.381 51.492 ( -9.800 -10.166 -5.245) 15.063 91.339 ( -0.129 -0.090 -0.680) 0.698 91.353 ( -0.443 0.167 -0.783) 0.915 91.393 ( 0.528 -0.543 -0.031) 0.758 91.435 ( 1.544 -1.019 0.161) 1.857 91.505 ( -2.420 -0.395 -0.634) 2.532 91.531 ( 1.137 -0.753 -1.842) 2.292 91.580 ( 1.526 -1.129 -0.327) 1.926 91.654 ( 3.343 -1.788 -3.053) 4.868 93.075 ( 2.580 6.049 3.738) 7.564 93.575 ( 2.427 -3.556 -5.454) 6.948 93.700 ( -7.386 1.189 3.880) 8.427 94.114 ( -4.394 -1.411 -3.635) 5.875 94.252 ( 3.335 0.114 2.638) 4.254 94.362 ( 3.421 -1.937 0.569) 3.972 94.548 ( -0.194 -3.123 7.101) 7.760 94.979 ( -3.587 -4.650 -0.553) 5.899 ======================= Grid point 149 (59/128) ======================= q-point: ( 0.33 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 6.620 -4.474 7.853) 11.203 2.358 ( -2.723 3.714 0.788) 4.672 2.420 ( -0.261 3.387 -0.727) 3.474 2.603 ( -4.730 -3.656 -2.763) 6.586 2.728 ( 4.964 2.101 -0.499) 5.414 2.825 ( 2.113 -2.321 3.354) 4.594 2.951 ( 1.556 6.267 2.746) 7.016 3.059 ( 4.113 4.208 -1.645) 6.110 3.163 ( 5.925 0.725 2.542) 6.488 3.208 ( 2.349 -0.545 -5.086) 5.628 3.272 ( 0.026 2.253 -4.464) 5.001 3.339 ( 5.457 0.192 -0.079) 5.461 3.433 ( 3.999 3.754 -3.580) 6.550 3.611 ( 6.591 1.682 3.245) 7.537 3.744 ( -2.683 5.634 1.163) 6.347 4.000 ( -2.455 6.377 0.033) 6.833 4.122 ( 5.588 -9.195 14.191) 17.809 4.681 ( -16.269 -11.715 8.970) 21.963 5.795 ( -2.263 7.243 -17.184) 18.785 6.048 ( 1.086 -2.670 -13.218) 13.529 6.385 ( -0.065 3.620 10.741) 11.335 6.601 ( -2.847 -2.567 9.293) 10.053 6.945 ( 3.878 -0.415 -0.916) 4.007 7.072 ( -1.358 -0.088 -1.266) 1.858 7.173 ( -0.366 1.155 -1.500) 1.928 7.304 ( 0.145 -2.254 3.836) 4.451 7.497 ( 11.614 -1.751 -3.495) 12.254 7.951 ( -4.807 8.820 -2.710) 10.404 8.118 ( 1.365 1.246 1.492) 2.376 8.180 ( -0.940 0.590 0.971) 1.475 8.287 ( 0.478 -0.349 -1.295) 1.423 8.498 ( -11.215 -15.237 -5.918) 19.823 15.098 ( 2.154 -3.222 1.492) 4.153 15.186 ( -1.777 -3.292 1.704) 4.111 15.327 ( 3.809 -3.467 -1.500) 5.365 15.457 ( -2.236 -3.525 -2.015) 4.635 15.574 ( 4.866 -2.540 0.451) 5.507 15.661 ( 1.777 -2.305 -0.922) 3.054 15.733 ( -0.430 1.575 1.470) 2.197 15.820 ( -4.932 -1.908 0.180) 5.291 15.914 ( 0.313 1.300 1.272) 1.845 16.018 ( -3.326 -1.754 0.235) 3.767 16.067 ( 0.472 0.512 -1.702) 1.839 16.117 ( -0.630 0.094 -0.108) 0.646 18.879 ( -0.052 0.149 0.590) 0.611 18.927 ( -0.939 -1.243 2.282) 2.763 19.049 ( 2.238 0.947 -1.497) 2.854 19.182 ( -3.440 1.100 -1.913) 4.087 33.907 ( 0.856 1.531 3.103) 3.565 33.946 ( -0.900 1.773 2.442) 3.149 34.852 ( 0.048 2.072 -0.661) 2.175 34.871 ( -0.256 1.066 -0.376) 1.159 35.796 ( 4.344 -0.315 0.675) 4.407 35.899 ( -0.472 0.288 -0.828) 0.996 37.133 ( 1.879 2.082 0.927) 2.954 37.238 ( -2.918 1.866 -0.597) 3.515 42.729 ( 17.064 -0.513 2.973) 17.328 43.293 ( -4.155 3.979 -6.718) 8.844 43.595 ( 2.213 7.734 0.765) 8.081 43.636 ( -1.603 4.494 1.099) 4.897 43.675 ( -0.811 4.092 -1.162) 4.331 43.786 ( -0.776 6.514 1.619) 6.757 43.851 ( 6.774 3.066 1.029) 7.506 43.947 ( 4.175 7.059 -1.402) 8.320 44.023 ( 0.436 3.684 2.687) 4.581 44.065 ( -5.733 0.877 1.853) 6.088 44.227 ( -4.506 3.828 -0.399) 5.926 44.353 ( -11.486 2.490 -0.290) 11.756 48.432 ( -0.286 -10.232 -0.238) 10.239 48.592 ( -7.524 0.030 -1.994) 7.784 49.537 ( 3.206 -13.102 3.909) 14.044 49.691 ( -3.294 -10.411 5.981) 12.450 50.120 ( 6.610 -10.467 -1.649) 12.489 50.252 ( 3.097 -4.671 -1.214) 5.734 50.324 ( 17.753 -13.434 0.276) 22.264 50.398 ( 6.157 -6.682 3.604) 9.775 50.720 ( -8.499 -2.173 2.381) 9.090 50.937 ( 6.480 -10.703 -3.528) 13.000 51.172 ( -10.707 -19.722 -7.295) 23.597 51.234 ( -12.229 -3.054 -2.767) 12.905 91.336 ( -0.176 0.072 -0.944) 0.963 91.346 ( -0.249 -0.087 -0.622) 0.676 91.408 ( 0.912 -0.595 -0.194) 1.106 91.457 ( -1.175 -0.766 -0.643) 1.543 91.481 ( 1.680 -0.709 0.302) 1.848 91.542 ( -0.228 -0.510 -0.325) 0.646 91.628 ( 2.851 -1.345 -2.026) 3.747 91.704 ( 1.306 -2.405 -2.569) 3.754 93.159 ( 5.780 5.189 3.385) 8.473 93.506 ( -9.333 1.032 2.942) 9.839 93.677 ( 5.563 -2.348 -4.958) 7.813 93.994 ( -7.342 -2.702 -5.186) 9.387 94.310 ( 2.677 -0.913 4.282) 5.132 94.413 ( 0.160 -1.645 3.643) 4.000 94.586 ( 4.951 -1.752 3.485) 6.303 94.880 ( -6.099 -3.779 0.359) 7.184 ======================= Grid point 150 (60/128) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -0.000 0.568 4.042) 4.082 2.302 ( 0.000 -1.032 6.746) 6.824 2.437 ( 0.000 -0.212 -4.901) 4.906 2.521 ( -0.000 -1.647 -2.240) 2.781 2.804 ( 0.000 0.968 1.353) 1.663 2.818 ( 0.000 -0.789 3.326) 3.418 3.006 ( -0.001 5.585 1.310) 5.736 3.008 ( 0.001 4.541 -0.228) 4.547 3.236 ( -0.000 0.287 -2.943) 2.957 3.247 ( 0.000 -1.073 -8.973) 9.037 3.294 ( 0.000 2.101 0.740) 2.228 3.437 ( 0.000 -3.999 -0.093) 4.000 3.542 ( 0.000 8.614 1.149) 8.690 3.628 ( -0.000 5.963 -1.398) 6.125 3.708 ( 0.000 5.503 4.172) 6.906 3.966 ( 0.000 7.493 1.262) 7.599 4.255 ( 0.000 -14.450 12.465) 19.084 4.424 ( -0.000 -9.532 10.262) 14.006 5.772 ( 0.000 7.477 -17.032) 18.601 6.054 ( 0.000 -2.085 -13.842) 13.999 6.401 ( -0.000 2.861 10.774) 11.147 6.554 ( 0.000 -2.484 9.412) 9.735 7.017 ( -0.000 -0.302 -1.329) 1.363 7.026 ( 0.000 -1.200 -1.477) 1.903 7.173 ( 0.000 2.870 -1.256) 3.132 7.300 ( 0.000 -2.499 4.161) 4.854 7.729 ( -0.000 1.421 -6.437) 6.592 7.802 ( 0.000 1.963 -3.038) 3.617 8.138 ( -0.000 0.724 0.919) 1.170 8.165 ( 0.000 1.609 1.557) 2.239 8.306 ( -0.000 -5.857 -2.856) 6.516 8.358 ( 0.000 -7.536 -1.389) 7.663 15.136 ( 0.000 -2.951 1.322) 3.233 15.151 ( -0.000 -3.569 1.956) 4.070 15.394 ( 0.000 -3.135 -2.146) 3.799 15.409 ( -0.000 -3.789 -1.496) 4.073 15.664 ( 0.000 -1.188 -0.614) 1.338 15.680 ( -0.000 -1.978 -0.826) 2.143 15.719 ( -0.000 -0.477 1.706) 1.771 15.739 ( -0.000 -1.852 1.566) 2.425 15.928 ( 0.000 0.179 -0.366) 0.408 15.968 ( 0.000 -1.083 1.440) 1.801 16.073 ( 0.000 1.444 -1.831) 2.332 16.111 ( 0.000 -0.106 -0.152) 0.186 18.879 ( 0.000 0.334 0.649) 0.730 18.916 ( 0.000 -1.378 2.217) 2.611 19.094 ( 0.000 1.711 -2.406) 2.953 19.125 ( -0.000 0.329 -0.988) 1.041 33.924 ( 0.000 1.771 2.664) 3.199 33.929 ( -0.000 1.572 2.809) 3.219 34.853 ( 0.000 2.015 -0.744) 2.149 34.868 ( 0.000 1.249 -0.287) 1.281 35.868 ( -0.000 0.000 -0.120) 0.120 35.870 ( 0.000 -0.081 -0.061) 0.101 37.179 ( 0.000 2.054 0.161) 2.061 37.180 ( -0.000 1.910 0.199) 1.920 43.048 ( -0.000 2.600 -1.263) 2.891 43.102 ( 0.000 0.539 0.040) 0.540 43.593 ( 0.000 9.096 -2.690) 9.485 43.658 ( 0.000 5.603 -0.646) 5.640 43.686 ( 0.000 6.471 0.177) 6.474 43.771 ( -0.000 5.109 3.520) 6.204 43.938 ( 0.000 -1.880 -0.921) 2.093 43.955 ( -0.000 -0.250 0.658) 0.704 44.047 ( 0.000 7.220 0.084) 7.221 44.065 ( 0.000 7.961 0.202) 7.963 44.143 ( 0.000 1.891 0.713) 2.021 44.191 ( -0.000 1.304 1.811) 2.231 48.450 ( -0.000 -1.603 -1.626) 2.283 48.491 ( 0.000 -3.630 -0.399) 3.652 49.588 ( 0.000 -11.195 3.849) 11.839 49.639 ( -0.000 -12.885 6.047) 14.233 50.184 ( 0.000 -9.249 -3.195) 9.785 50.292 ( -0.000 -11.020 1.854) 11.175 50.505 ( 0.000 -1.029 2.238) 2.463 50.516 ( -0.000 -5.550 1.339) 5.709 50.741 ( 0.000 -11.105 -3.166) 11.547 50.857 ( -0.000 -18.848 0.161) 18.849 51.068 ( -0.000 -8.460 -5.002) 9.828 51.087 ( 0.000 -9.459 -4.460) 10.458 91.334 ( 0.000 0.128 -1.037) 1.045 91.343 ( 0.000 -0.182 -0.586) 0.613 91.429 ( -0.000 -0.703 -0.441) 0.830 91.431 ( 0.000 -0.541 -0.404) 0.675 91.515 ( 0.000 -0.483 0.121) 0.498 91.527 ( -0.000 -0.938 0.385) 1.014 91.667 ( -0.000 -0.880 -3.135) 3.256 91.710 ( 0.000 -3.090 -1.812) 3.583 93.276 ( 0.000 4.279 1.805) 4.645 93.350 ( -0.000 2.374 4.978) 5.515 93.786 ( 0.000 -1.999 -7.194) 7.466 93.867 ( -0.000 -3.930 -4.112) 5.688 94.349 ( 0.000 -0.458 3.939) 3.966 94.395 ( -0.000 -2.696 6.188) 6.750 94.687 ( 0.000 -0.075 -0.491) 0.497 94.775 ( 0.000 -4.259 2.643) 5.012 ======================= Grid point 154 (61/128) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 0.000 14.794) 14.794 2.378 ( 0.000 0.000 1.457) 1.457 2.554 ( 0.000 0.000 -3.175) 3.175 2.584 ( 0.000 -0.000 -1.419) 1.419 2.593 ( 0.000 0.000 5.448) 5.448 2.766 ( 0.000 0.000 1.403) 1.403 2.852 ( 0.000 0.000 1.830) 1.830 2.860 ( 0.000 -0.000 -5.485) 5.485 3.119 ( 0.000 0.000 0.826) 0.826 3.290 ( 0.000 0.000 -0.269) 0.269 3.295 ( 0.000 -0.000 -2.519) 2.519 3.306 ( 0.000 0.000 -1.011) 1.011 3.331 ( 0.000 -0.000 0.444) 0.444 3.362 ( 0.000 0.000 -5.778) 5.778 3.815 ( 0.000 0.000 -1.136) 1.136 3.888 ( 0.000 0.000 17.143) 17.143 4.189 ( 0.000 0.000 -3.258) 3.258 4.924 ( 0.000 -0.000 11.148) 11.148 5.928 ( 0.000 0.000 -22.701) 22.701 5.935 ( 0.000 0.000 -4.683) 4.683 6.484 ( 0.000 0.000 3.641) 3.641 6.643 ( 0.000 0.000 11.151) 11.151 6.819 ( 0.000 0.000 0.828) 0.828 7.121 ( 0.000 0.000 -4.095) 4.095 7.151 ( 0.000 -0.000 0.674) 0.674 7.233 ( 0.000 0.000 -1.982) 1.982 7.339 ( 0.000 0.000 4.953) 4.953 8.096 ( 0.000 0.000 2.338) 2.338 8.176 ( 0.000 0.000 -1.680) 1.680 8.192 ( 0.000 -0.000 0.886) 0.886 8.311 ( 0.000 0.000 -1.405) 1.405 8.571 ( 0.000 -0.000 -8.765) 8.765 15.014 ( 0.000 0.000 1.333) 1.333 15.194 ( 0.000 0.000 -1.192) 1.192 15.194 ( 0.000 0.000 1.812) 1.812 15.443 ( 0.000 0.000 0.736) 0.736 15.467 ( 0.000 0.000 -2.129) 2.129 15.585 ( 0.000 0.000 -1.428) 1.428 15.759 ( 0.000 0.000 1.771) 1.771 15.913 ( 0.000 0.000 0.859) 0.859 15.967 ( 0.000 0.000 -1.248) 1.248 16.027 ( 0.000 0.000 1.677) 1.677 16.069 ( 0.000 0.000 -2.109) 2.109 16.152 ( 0.000 0.000 0.550) 0.550 18.883 ( 0.000 0.000 0.801) 0.801 18.936 ( 0.000 0.000 1.946) 1.946 19.020 ( 0.000 0.000 -0.725) 0.725 19.280 ( 0.000 0.000 -2.678) 2.678 33.902 ( 0.000 0.000 3.572) 3.572 33.985 ( 0.000 0.000 2.144) 2.144 34.874 ( 0.000 0.000 -0.404) 0.404 34.882 ( 0.000 0.000 -0.612) 0.612 35.671 ( 0.000 0.000 1.622) 1.622 35.896 ( 0.000 0.000 -1.651) 1.651 37.119 ( 0.000 0.000 1.662) 1.662 37.326 ( 0.000 0.000 -1.327) 1.327 42.313 ( 0.000 0.000 6.079) 6.079 43.282 ( 0.000 0.000 -8.913) 8.913 43.617 ( 0.000 0.000 1.240) 1.240 43.681 ( 0.000 0.000 -0.403) 0.403 43.713 ( 0.000 0.000 3.119) 3.119 43.808 ( 0.000 0.000 0.998) 0.998 43.901 ( 0.000 0.000 -0.009) 0.009 43.929 ( 0.000 0.000 -0.803) 0.803 44.108 ( 0.000 0.000 1.970) 1.970 44.268 ( 0.000 0.000 2.662) 2.662 44.366 ( 0.000 0.000 -1.668) 1.668 44.680 ( 0.000 0.000 -2.747) 2.747 48.220 ( 0.000 0.000 2.304) 2.304 48.817 ( 0.000 0.000 -7.481) 7.481 49.307 ( 0.000 0.000 3.911) 3.911 49.690 ( 0.000 0.000 -1.630) 1.630 49.733 ( 0.000 0.000 11.696) 11.696 49.784 ( 0.000 0.000 2.308) 2.308 50.222 ( 0.000 0.000 3.842) 3.842 50.224 ( 0.000 0.000 -4.627) 4.627 50.678 ( 0.000 0.000 -2.427) 2.427 50.928 ( 0.000 -0.000 4.638) 4.638 51.199 ( 0.000 0.000 -10.315) 10.315 51.506 ( 0.000 0.000 -4.601) 4.601 91.339 ( 0.000 0.000 -0.777) 0.777 91.362 ( 0.000 0.000 -1.055) 1.055 91.383 ( 0.000 0.000 -0.053) 0.053 91.409 ( 0.000 0.000 0.422) 0.422 91.502 ( 0.000 0.000 -2.456) 2.456 91.548 ( 0.000 0.000 0.469) 0.469 91.560 ( 0.000 0.000 0.475) 0.475 91.582 ( 0.000 0.000 -4.488) 4.488 93.120 ( 0.000 0.000 3.278) 3.278 93.511 ( 0.000 0.000 -3.568) 3.568 93.791 ( 0.000 0.000 3.669) 3.669 94.159 ( 0.000 0.000 -1.714) 1.714 94.228 ( 0.000 -0.000 1.407) 1.407 94.278 ( 0.000 0.000 0.553) 0.553 94.521 ( 0.000 0.000 6.403) 6.403 94.964 ( 0.000 0.000 -1.628) 1.628 ======================= Grid point 156 (62/128) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 3.858 0.000 13.084) 13.640 2.468 ( -5.592 0.000 -2.650) 6.188 2.481 ( 5.759 0.000 -1.560) 5.966 2.603 ( -0.702 -0.000 6.804) 6.840 2.647 ( 7.784 0.000 0.544) 7.803 2.710 ( -1.541 0.000 -0.773) 1.724 2.895 ( 5.025 0.000 3.141) 5.926 3.021 ( 10.304 0.000 -4.229) 11.138 3.083 ( -2.695 0.000 1.089) 2.907 3.253 ( -3.388 0.000 -2.199) 4.039 3.276 ( 0.828 0.000 -1.559) 1.765 3.305 ( -0.495 0.000 -2.538) 2.586 3.391 ( 2.924 0.000 -4.764) 5.590 3.444 ( 8.207 0.000 1.932) 8.431 3.837 ( 1.810 0.000 -2.011) 2.706 3.888 ( 0.182 0.000 16.489) 16.490 4.183 ( -0.748 0.000 -2.084) 2.214 4.814 ( -10.595 -0.000 11.482) 15.624 5.931 ( 0.100 0.000 -22.337) 22.337 5.944 ( 0.596 -0.000 -7.152) 7.177 6.454 ( -2.174 0.000 5.537) 5.949 6.634 ( -1.284 0.000 11.299) 11.372 6.860 ( 3.504 0.000 0.303) 3.517 7.107 ( -1.318 0.000 -3.276) 3.531 7.164 ( 1.193 0.000 0.683) 1.375 7.257 ( 2.077 0.000 -0.078) 2.079 7.350 ( 1.904 0.000 1.576) 2.471 8.105 ( 0.862 0.000 2.310) 2.465 8.165 ( -1.237 0.000 -2.164) 2.493 8.203 ( 1.039 -0.000 0.727) 1.268 8.306 ( -0.576 0.000 -1.290) 1.412 8.470 ( -9.710 -0.000 -7.476) 12.255 15.028 ( 1.392 0.000 1.392) 1.969 15.181 ( -1.016 0.000 1.459) 1.778 15.224 ( 2.684 0.000 -0.944) 2.845 15.455 ( -1.149 0.000 -2.084) 2.380 15.470 ( 2.732 0.000 0.660) 2.811 15.597 ( 1.285 0.000 -1.301) 1.828 15.758 ( -0.141 0.000 1.621) 1.628 15.889 ( -2.846 0.000 -0.537) 2.897 15.943 ( -1.308 0.000 1.899) 2.306 16.047 ( 1.435 -0.000 -0.122) 1.440 16.051 ( -1.937 0.000 -1.456) 2.423 16.139 ( -1.043 0.000 0.049) 1.045 18.882 ( -0.083 0.000 0.902) 0.906 18.931 ( -0.581 0.000 2.031) 2.112 19.026 ( 0.855 0.000 -1.007) 1.321 19.255 ( -2.361 0.000 -2.563) 3.485 33.907 ( 0.540 0.000 3.437) 3.479 33.980 ( -0.552 0.000 2.205) 2.273 34.874 ( -0.002 0.000 -0.418) 0.418 34.881 ( -0.095 0.000 -0.598) 0.606 35.708 ( 3.486 0.000 1.374) 3.747 35.902 ( 0.400 0.000 -1.434) 1.489 37.127 ( 0.868 0.000 1.469) 1.707 37.306 ( -1.902 0.000 -1.109) 2.201 42.426 ( 10.951 0.000 5.294) 12.163 43.316 ( 2.936 0.000 -9.377) 9.826 43.637 ( 1.814 0.000 2.756) 3.299 43.668 ( -0.382 0.000 -0.912) 0.989 43.770 ( 4.767 0.000 2.585) 5.423 43.778 ( -3.111 -0.000 -0.609) 3.170 43.881 ( -1.386 0.000 1.298) 1.899 43.961 ( 2.920 0.000 -0.851) 3.041 44.089 ( -1.713 0.000 2.144) 2.745 44.206 ( -5.895 0.000 2.749) 6.505 44.340 ( -2.603 0.000 -1.580) 3.045 44.590 ( -8.468 0.000 -2.011) 8.704 48.244 ( 2.439 0.000 1.835) 3.052 48.750 ( -6.115 0.000 -6.197) 8.706 49.330 ( 2.277 0.000 3.964) 4.571 49.665 ( -2.863 0.000 6.036) 6.681 49.856 ( 6.750 -0.000 2.226) 7.108 49.859 ( 12.311 0.000 1.996) 12.472 50.223 ( -0.266 0.000 -3.297) 3.307 50.245 ( 2.414 0.000 3.641) 4.369 50.720 ( 4.002 0.000 -3.065) 5.041 50.876 ( -5.098 -0.000 4.493) 6.796 51.144 ( -5.681 0.000 -10.177) 11.656 51.415 ( -8.570 0.000 -3.872) 9.404 91.338 ( -0.041 0.000 -0.798) 0.799 91.355 ( -0.587 0.000 -1.066) 1.217 91.388 ( 0.497 0.000 -0.095) 0.506 91.424 ( 1.502 0.000 0.366) 1.546 91.501 ( -2.485 0.000 -0.835) 2.622 91.522 ( 1.550 0.000 -2.126) 2.632 91.570 ( 1.187 0.000 0.194) 1.203 91.636 ( 3.076 0.000 -3.004) 4.300 93.143 ( 2.343 0.000 3.178) 3.948 93.533 ( 2.042 0.000 -4.060) 4.545 93.713 ( -6.517 0.000 3.914) 7.602 94.100 ( -5.231 0.000 -3.533) 6.312 94.254 ( 1.990 0.000 3.382) 3.924 94.341 ( 4.867 0.000 0.663) 4.912 94.517 ( 0.111 0.000 6.098) 6.099 94.931 ( -3.188 0.000 -1.411) 3.486 ======================= Grid point 158 (63/128) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 7.397 0.000 10.015) 12.450 2.387 ( -2.989 0.000 -1.918) 3.552 2.513 ( -1.266 0.003 -4.851) 5.013 2.516 ( -5.801 -0.003 5.988) 8.337 2.750 ( 3.795 0.000 0.969) 3.917 2.794 ( 3.596 0.000 4.682) 5.903 3.042 ( -0.681 -0.000 1.226) 1.403 3.095 ( 11.125 0.000 0.436) 11.133 3.172 ( -3.240 -0.000 -1.009) 3.393 3.183 ( 4.857 0.000 -4.982) 6.958 3.306 ( 1.194 0.000 -3.033) 3.260 3.322 ( 3.243 -0.000 -0.681) 3.313 3.488 ( 7.391 0.000 -3.857) 8.337 3.616 ( 7.868 0.000 3.682) 8.687 3.867 ( 0.801 0.000 -5.161) 5.223 3.899 ( 0.693 0.000 12.504) 12.523 4.161 ( -0.773 0.000 2.785) 2.891 4.531 ( -16.621 -0.000 13.240) 21.250 5.927 ( -0.295 0.000 -20.600) 20.602 5.946 ( -0.537 -0.000 -12.799) 12.810 6.435 ( 0.900 0.000 9.032) 9.077 6.580 ( -4.025 0.000 10.986) 11.700 6.938 ( 4.033 -0.000 -0.552) 4.071 7.070 ( -2.345 0.000 -2.338) 3.312 7.196 ( 1.976 0.000 0.922) 2.180 7.270 ( -0.928 0.000 3.106) 3.242 7.484 ( 11.895 0.000 -4.398) 12.682 8.091 ( -9.340 0.000 -7.191) 11.788 8.128 ( 1.405 0.000 2.193) 2.605 8.230 ( 1.634 0.000 0.314) 1.663 8.240 ( -8.378 -0.000 -0.484) 8.392 8.293 ( -1.587 0.000 -0.730) 1.747 15.065 ( 2.187 0.000 1.511) 2.658 15.152 ( -1.816 0.000 1.577) 2.406 15.293 ( 3.863 0.000 -1.356) 4.095 15.422 ( -2.223 0.000 -1.966) 2.968 15.549 ( 4.997 0.000 0.429) 5.015 15.636 ( 2.440 0.000 -1.007) 2.640 15.747 ( -1.172 0.000 1.197) 1.675 15.799 ( -5.591 0.000 0.273) 5.597 15.932 ( 0.049 0.000 1.783) 1.784 15.996 ( -3.081 0.000 -0.171) 3.086 16.075 ( 1.367 0.000 -0.876) 1.624 16.119 ( -0.933 0.000 -0.749) 1.196 18.883 ( 0.186 0.000 1.173) 1.188 18.913 ( -1.134 0.000 1.883) 2.198 19.059 ( 2.420 0.000 -1.406) 2.799 19.193 ( -3.629 0.000 -2.248) 4.269 33.923 ( 0.941 0.000 3.101) 3.240 33.964 ( -0.950 0.000 2.394) 2.576 34.875 ( 0.041 0.000 -0.457) 0.459 34.879 ( -0.139 -0.000 -0.561) 0.578 35.793 ( 4.446 0.000 0.737) 4.506 35.902 ( -0.623 0.000 -0.854) 1.057 37.154 ( 1.831 0.000 0.944) 2.060 37.257 ( -2.855 0.000 -0.533) 2.904 42.724 ( 17.879 0.000 3.000) 18.129 43.330 ( -4.741 0.000 -7.959) 9.264 43.670 ( 1.351 0.000 4.940) 5.122 43.672 ( 0.734 -0.000 -2.485) 2.591 43.728 ( 0.503 0.000 -2.684) 2.730 43.870 ( 0.665 0.000 1.894) 2.008 43.880 ( 4.688 0.000 1.079) 4.811 44.003 ( -1.663 0.000 0.292) 1.689 44.052 ( -3.918 0.000 2.461) 4.626 44.089 ( 0.920 0.000 2.271) 2.451 44.267 ( -4.560 0.000 -1.301) 4.742 44.377 ( -11.884 0.000 -0.116) 11.885 48.319 ( 5.073 0.000 0.496) 5.097 48.602 ( -8.093 0.000 -3.842) 8.959 49.394 ( 4.101 0.000 4.223) 5.886 49.586 ( -4.685 0.000 5.860) 7.503 50.015 ( 7.899 0.000 1.870) 8.117 50.156 ( 9.906 0.000 -2.342) 10.179 50.231 ( 7.498 0.000 -0.201) 7.501 50.330 ( 6.541 0.000 3.182) 7.274 50.717 ( -8.880 -0.000 3.205) 9.440 50.846 ( 6.875 0.000 -3.245) 7.603 50.953 ( -13.994 0.000 -8.291) 16.266 51.208 ( -10.765 0.000 -3.394) 11.288 91.337 ( -0.033 0.000 -0.881) 0.882 91.344 ( -0.438 0.000 -1.051) 1.139 91.402 ( 0.899 0.000 -0.218) 0.925 91.449 ( -0.711 0.000 -0.642) 0.958 91.474 ( 1.288 0.000 0.374) 1.341 91.537 ( -0.311 0.000 -0.420) 0.523 91.615 ( 2.981 0.000 -1.497) 3.336 91.679 ( 0.911 0.000 -2.791) 2.936 93.217 ( 5.177 0.000 2.909) 5.939 93.508 ( -7.184 0.000 0.351) 7.193 93.658 ( 4.310 0.000 -1.124) 4.454 93.964 ( -8.036 0.000 -4.468) 9.195 94.301 ( 2.645 0.000 4.793) 5.474 94.395 ( -0.471 0.000 3.543) 3.574 94.571 ( 5.838 0.000 2.628) 6.402 94.841 ( -5.754 0.000 -0.780) 5.806 ======================= Grid point 160 (64/128) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -7.949 -0.075 5.661) 9.759 2.278 ( 7.949 0.075 5.661) 9.759 2.474 ( -0.407 -2.588 -1.589) 3.064 2.474 ( 0.407 2.588 -1.589) 3.064 2.809 ( -1.451 -0.015 3.304) 3.609 2.809 ( 1.451 0.015 3.304) 3.609 3.069 ( -3.247 -0.120 0.189) 3.255 3.069 ( 3.247 0.120 0.189) 3.255 3.226 ( -0.065 -0.353 -4.861) 4.874 3.226 ( 0.065 0.353 -4.861) 4.874 3.353 ( -0.192 -3.652 -0.104) 3.659 3.353 ( 0.192 3.652 -0.104) 3.659 3.662 ( -4.213 -1.845 0.726) 4.656 3.662 ( 4.214 1.845 0.726) 4.656 3.889 ( -0.152 -11.804 -2.323) 12.032 3.889 ( 0.152 11.804 -2.323) 12.032 4.232 ( -5.081 -7.858 14.023) 16.859 4.232 ( 5.081 7.858 14.023) 16.859 5.930 ( -0.027 -8.109 -17.433) 19.226 5.930 ( 0.027 8.109 -17.433) 19.226 6.491 ( -1.933 -3.771 10.533) 11.353 6.491 ( 1.933 3.771 10.533) 11.353 7.013 ( -3.364 -0.007 -1.461) 3.668 7.013 ( 3.364 0.007 -1.461) 3.668 7.238 ( -0.571 -3.368 1.796) 3.860 7.238 ( 0.571 3.368 1.796) 3.860 7.787 ( -16.190 -1.069 -6.882) 17.624 7.787 ( 16.190 1.069 -6.882) 17.624 8.161 ( -0.944 -1.580 2.067) 2.768 8.161 ( 0.944 1.580 2.067) 2.768 8.264 ( -0.632 -1.752 -0.220) 1.875 8.264 ( 0.632 1.752 -0.220) 1.875 15.111 ( -2.133 -0.140 1.586) 2.661 15.111 ( 2.133 0.140 1.586) 2.661 15.366 ( -3.223 -0.098 -1.731) 3.659 15.366 ( 3.223 0.098 -1.731) 3.659 15.654 ( -3.909 -0.073 -0.629) 3.960 15.654 ( 3.909 0.073 -0.629) 3.960 15.716 ( -0.301 -0.342 1.203) 1.286 15.716 ( 0.301 0.342 1.203) 1.286 15.947 ( -0.891 -1.005 0.869) 1.599 15.947 ( 0.891 1.005 0.869) 1.599 16.100 ( -0.471 -0.949 -0.975) 1.440 16.100 ( 0.471 0.949 -0.975) 1.440 18.892 ( -0.300 -0.897 1.533) 1.802 18.892 ( 0.300 0.897 1.533) 1.802 19.120 ( -3.182 -0.368 -1.821) 3.684 19.120 ( 3.182 0.368 -1.821) 3.684 33.943 ( -1.068 -0.024 2.711) 2.914 33.943 ( 1.068 0.024 2.711) 2.914 34.876 ( -0.016 -0.360 -0.509) 0.624 34.876 ( 0.016 0.360 -0.509) 0.624 35.868 ( -2.848 -0.002 -0.072) 2.849 35.868 ( 2.848 0.002 -0.072) 2.849 37.200 ( -2.673 -0.000 0.218) 2.682 37.200 ( 2.673 0.000 0.218) 2.682 43.090 ( -16.966 -0.261 -1.020) 16.999 43.090 ( 16.966 0.261 -1.020) 16.999 43.688 ( -0.067 -1.073 -3.740) 3.891 43.688 ( 0.067 1.073 -3.740) 3.891 43.823 ( -5.599 -2.777 2.320) 6.666 43.823 ( 5.599 2.777 2.320) 6.666 43.912 ( -1.743 -2.197 1.769) 3.316 43.912 ( 1.743 2.197 1.769) 3.316 44.142 ( -8.289 -0.986 0.281) 8.352 44.142 ( 8.289 0.986 0.281) 8.352 44.176 ( -4.109 -2.215 1.061) 4.787 44.176 ( 4.109 2.215 1.061) 4.787 48.444 ( -7.037 -0.295 -1.497) 7.201 48.444 ( 7.037 0.295 -1.497) 7.201 49.487 ( -4.294 -0.785 4.861) 6.533 49.487 ( 4.294 0.785 4.861) 6.533 50.136 ( -1.967 -3.341 0.662) 3.933 50.136 ( 1.967 3.341 0.662) 3.933 50.502 ( -7.590 -0.638 2.013) 7.878 50.502 ( 7.590 0.638 2.013) 7.878 50.607 ( -17.412 -0.223 -3.098) 17.687 50.607 ( 17.412 0.223 -3.098) 17.687 51.011 ( -9.031 -0.093 -4.194) 9.958 51.011 ( 9.031 0.093 -4.194) 9.958 91.338 ( -0.038 -0.275 -0.984) 1.023 91.338 ( 0.038 0.275 -0.984) 1.023 91.424 ( -1.224 -0.025 -0.457) 1.307 91.424 ( 1.224 0.025 -0.457) 1.307 91.514 ( -1.711 -0.123 0.306) 1.743 91.514 ( 1.711 0.123 0.306) 1.743 91.668 ( -1.237 -0.821 -2.359) 2.788 91.668 ( 1.237 0.821 -2.359) 2.788 93.348 ( -6.541 -1.290 2.434) 7.097 93.348 ( 6.541 1.290 2.434) 7.097 93.796 ( -6.948 -1.475 -3.893) 8.099 93.796 ( 6.948 1.475 -3.893) 8.100 94.356 ( -2.039 -0.770 4.981) 5.437 94.356 ( 2.039 0.770 4.981) 5.437 94.709 ( -6.026 -1.249 0.301) 6.162 94.709 ( 6.026 1.249 0.301) 6.162 ======================= Grid point 210 (65/128) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 0.000 23.970) 23.970 1.297 ( 0.000 0.000 28.094) 28.094 1.891 ( 0.000 0.000 -19.879) 19.879 2.069 ( 0.000 0.000 8.448) 8.448 2.332 ( 0.000 0.000 9.287) 9.287 2.464 ( 0.000 0.000 7.547) 7.547 2.502 ( 0.000 0.000 3.418) 3.418 2.664 ( 0.000 0.000 0.210) 0.210 2.974 ( 0.000 0.000 7.122) 7.122 3.075 ( 0.000 0.000 -3.688) 3.688 3.143 ( 0.000 0.000 -1.320) 1.320 3.143 ( 0.000 0.000 -4.422) 4.422 3.193 ( 0.000 0.000 12.565) 12.565 3.210 ( 0.000 0.000 10.952) 10.952 3.236 ( 0.000 0.000 4.842) 4.842 3.627 ( 0.000 0.000 -7.769) 7.769 3.707 ( 0.000 0.000 10.038) 10.038 5.255 ( 0.000 0.000 -41.875) 41.875 5.747 ( 0.000 0.000 11.874) 11.874 6.317 ( 0.000 0.000 -13.527) 13.527 6.590 ( 0.000 0.000 2.795) 2.795 6.750 ( 0.000 0.000 -4.480) 4.480 6.905 ( 0.000 0.000 11.447) 11.447 7.209 ( 0.000 0.000 -6.916) 6.916 7.276 ( 0.000 0.000 1.156) 1.156 7.289 ( 0.000 0.000 0.831) 0.831 7.307 ( 0.000 0.000 8.985) 8.985 8.026 ( 0.000 0.000 1.937) 1.937 8.037 ( 0.000 0.000 1.765) 1.765 8.087 ( 0.000 0.000 -21.796) 21.796 9.262 ( 0.000 0.000 25.105) 25.105 10.101 ( 0.000 0.000 -14.359) 14.359 15.370 ( 0.000 0.000 1.669) 1.669 15.465 ( 0.000 0.000 -2.474) 2.474 15.575 ( 0.000 0.000 1.509) 1.509 15.648 ( 0.000 0.000 -1.669) 1.669 15.753 ( 0.000 0.000 3.058) 3.058 15.883 ( 0.000 0.000 -2.632) 2.632 15.943 ( 0.000 0.000 4.338) 4.338 16.131 ( 0.000 0.000 2.456) 2.456 16.143 ( 0.000 0.000 -4.423) 4.423 16.242 ( 0.000 0.000 -2.371) 2.371 16.628 ( 0.000 0.000 2.151) 2.151 16.725 ( 0.000 0.000 -2.107) 2.107 18.958 ( 0.000 0.000 -0.385) 0.385 18.978 ( 0.000 0.000 -1.484) 1.484 19.048 ( 0.000 0.000 1.609) 1.609 19.132 ( 0.000 0.000 -2.054) 2.054 33.634 ( 0.000 0.000 4.150) 4.150 33.719 ( 0.000 0.000 0.150) 0.150 34.155 ( 0.000 0.000 -0.128) 0.128 34.192 ( 0.000 0.000 -1.636) 1.636 35.760 ( 0.000 0.000 0.118) 0.118 35.772 ( 0.000 0.000 -0.428) 0.428 36.875 ( 0.000 0.000 0.126) 0.126 36.877 ( 0.000 0.000 -0.042) 0.042 42.362 ( 0.000 0.000 0.176) 0.176 42.410 ( 0.000 0.000 -1.783) 1.783 42.541 ( 0.000 0.000 8.725) 8.725 42.666 ( 0.000 0.000 6.248) 6.248 42.778 ( 0.000 0.000 -1.099) 1.099 42.851 ( 0.000 0.000 -1.315) 1.315 43.071 ( 0.000 0.000 0.375) 0.375 43.199 ( 0.000 0.000 -5.748) 5.748 43.524 ( 0.000 0.000 -3.938) 3.938 43.535 ( 0.000 0.000 -3.664) 3.664 43.895 ( 0.000 0.000 3.021) 3.021 44.022 ( 0.000 0.000 -2.359) 2.359 50.233 ( 0.000 0.000 5.613) 5.613 50.448 ( 0.000 0.000 19.288) 19.288 50.511 ( 0.000 0.000 -5.854) 5.854 51.073 ( 0.000 0.000 10.689) 10.689 51.250 ( 0.000 0.000 -15.980) 15.980 51.424 ( 0.000 0.000 -6.874) 6.874 51.858 ( 0.000 0.000 2.446) 2.446 51.967 ( 0.000 0.000 -2.343) 2.343 52.189 ( 0.000 0.000 50.295) 50.295 54.451 ( 0.000 0.000 15.435) 15.435 54.755 ( 0.000 0.000 -60.760) 60.760 55.106 ( 0.000 0.000 -13.128) 13.128 91.411 ( 0.000 0.000 1.090) 1.090 91.423 ( 0.000 0.000 0.003) 0.003 91.561 ( 0.000 0.000 0.592) 0.592 91.562 ( 0.000 0.000 0.760) 0.760 91.776 ( 0.000 0.000 2.902) 2.902 91.883 ( 0.000 0.000 -2.076) 2.076 91.985 ( 0.000 0.000 3.303) 3.303 92.147 ( 0.000 0.000 -3.839) 3.839 93.247 ( 0.000 0.000 0.994) 0.994 93.285 ( 0.000 0.000 -0.578) 0.578 93.652 ( 0.000 0.000 10.277) 10.277 94.117 ( 0.000 0.000 -9.765) 9.765 94.390 ( 0.000 0.000 7.995) 7.995 94.784 ( 0.000 0.000 -9.149) 9.149 94.951 ( 0.000 0.000 0.794) 0.794 94.982 ( 0.000 0.000 -0.553) 0.553 ======================= Grid point 211 (66/128) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 19.167 0.000 17.088) 25.678 1.331 ( 3.968 0.000 26.309) 26.607 1.998 ( 8.354 0.000 -17.966) 19.814 2.127 ( 2.025 0.000 -2.375) 3.121 2.242 ( -6.163 0.000 17.060) 18.139 2.456 ( -4.264 0.000 6.536) 7.804 2.549 ( 8.732 0.000 7.645) 11.605 2.646 ( -2.074 0.000 2.147) 2.985 2.917 ( -3.086 0.000 6.911) 7.569 2.973 ( -4.464 0.000 -4.834) 6.580 3.113 ( -2.041 0.000 2.038) 2.885 3.130 ( 0.030 0.000 -4.685) 4.685 3.244 ( 3.442 0.000 3.718) 5.067 3.244 ( 0.968 0.000 6.677) 6.747 3.411 ( 11.165 0.000 4.553) 12.057 3.619 ( 4.141 0.000 -3.067) 5.153 3.855 ( 9.815 0.000 11.796) 15.345 5.307 ( 5.012 0.000 -39.451) 39.768 5.631 ( -12.663 0.000 13.805) 18.734 6.286 ( -4.989 0.000 -14.940) 15.752 6.508 ( -5.830 0.000 2.758) 6.450 6.633 ( -8.324 0.000 -1.405) 8.441 6.939 ( -8.101 0.000 6.616) 10.459 7.047 ( 5.016 0.000 7.479) 9.005 7.136 ( -6.283 0.000 -4.826) 7.923 7.280 ( 0.969 0.000 -3.026) 3.177 7.654 ( 14.455 0.000 0.445) 14.462 7.967 ( -1.893 0.000 -3.469) 3.952 8.069 ( 3.868 0.000 3.797) 5.421 8.332 ( 17.578 0.000 -14.146) 22.563 9.152 ( -10.271 0.000 23.686) 25.817 9.927 ( -15.371 0.000 -11.942) 19.465 15.382 ( 1.187 0.000 1.672) 2.050 15.476 ( 0.999 0.000 -2.394) 2.594 15.558 ( -1.578 0.000 1.525) 2.194 15.632 ( -1.465 0.000 -1.692) 2.238 15.767 ( 1.249 0.000 2.992) 3.242 15.885 ( -0.204 0.000 -1.124) 1.143 15.949 ( 0.966 0.000 2.577) 2.752 16.125 ( -1.159 0.000 -3.626) 3.807 16.167 ( 2.928 0.000 1.849) 3.463 16.275 ( 3.178 0.000 -2.441) 4.008 16.589 ( -3.567 0.000 2.290) 4.239 16.691 ( -3.328 0.000 -2.167) 3.971 18.955 ( -0.290 0.000 -0.414) 0.506 18.971 ( -0.644 0.000 -1.482) 1.616 19.011 ( -2.722 0.000 1.450) 3.084 19.102 ( -2.690 0.000 -2.288) 3.531 33.629 ( -0.400 0.000 3.976) 3.996 33.683 ( -2.758 0.000 2.062) 3.443 34.155 ( 0.008 0.000 -0.214) 0.214 34.184 ( -0.674 0.000 -1.201) 1.377 35.811 ( 3.533 0.000 -0.241) 3.542 35.838 ( 5.980 0.000 -2.348) 6.425 36.859 ( -1.460 0.000 0.815) 1.672 36.866 ( -0.856 0.000 0.237) 0.889 42.408 ( 2.984 0.000 0.971) 3.138 42.467 ( 4.067 0.000 -0.905) 4.167 42.529 ( 0.473 0.000 7.164) 7.179 42.690 ( 2.136 0.000 6.715) 7.047 42.783 ( 0.390 0.000 -0.921) 1.000 42.891 ( 3.691 0.000 -4.479) 5.804 43.110 ( 3.825 0.000 0.024) 3.825 43.193 ( -0.419 0.000 -2.941) 2.970 43.489 ( -2.836 0.000 -4.034) 4.931 43.515 ( -1.958 0.000 -3.855) 4.323 43.858 ( -3.404 0.000 2.503) 4.225 43.949 ( -6.447 0.000 -0.537) 6.469 50.400 ( 13.167 0.000 3.455) 13.612 50.402 ( -4.292 0.000 18.397) 18.891 50.615 ( 9.734 0.000 -5.045) 10.964 50.738 ( -19.684 0.000 18.799) 27.219 51.334 ( 3.895 0.000 -5.943) 7.105 51.442 ( 1.746 0.000 -6.532) 6.761 51.818 ( -3.819 0.000 2.189) 4.402 51.849 ( -5.547 0.000 6.058) 8.214 52.259 ( 2.234 0.000 38.717) 38.781 54.106 ( -28.097 0.000 5.257) 28.585 54.968 ( 15.364 0.000 -47.015) 49.461 55.409 ( 21.013 0.000 -36.458) 42.080 91.424 ( 1.115 0.000 1.398) 1.788 91.442 ( 1.637 0.000 -0.045) 1.638 91.542 ( -1.508 0.000 1.856) 2.392 91.559 ( -0.331 0.000 0.666) 0.744 91.791 ( 1.458 0.000 3.013) 3.348 91.900 ( 1.707 0.000 -2.110) 2.714 91.972 ( -1.271 0.000 3.243) 3.483 92.129 ( -1.826 0.000 -3.649) 4.080 93.327 ( 7.686 0.000 1.598) 7.850 93.414 ( 10.655 0.000 -2.660) 10.982 93.666 ( 1.383 0.000 10.208) 10.302 94.076 ( -3.662 0.000 -5.676) 6.754 94.415 ( 2.149 0.000 5.057) 5.495 94.775 ( -0.797 0.000 -9.305) 9.339 94.877 ( -6.204 0.000 0.441) 6.220 94.921 ( -5.876 0.000 -0.995) 5.960 ======================= Grid point 212 (67/128) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 9.463 0.000 22.791) 24.677 1.551 ( 17.535 0.000 10.336) 20.354 1.989 ( -11.098 0.000 17.775) 20.955 2.109 ( 0.840 0.000 -13.384) 13.411 2.204 ( -0.859 0.000 -2.940) 3.063 2.301 ( -10.772 0.000 15.649) 18.998 2.669 ( 5.723 0.000 -6.157) 8.406 2.773 ( 9.285 0.000 3.254) 9.838 2.882 ( -0.491 0.000 0.618) 0.789 2.937 ( -0.212 0.000 -3.075) 3.083 3.083 ( -0.861 0.000 1.532) 1.758 3.121 ( -1.553 0.000 -9.076) 9.208 3.279 ( 3.898 0.000 3.622) 5.321 3.306 ( 2.566 0.000 -0.668) 2.652 3.625 ( 9.429 0.000 3.791) 10.163 3.732 ( 4.692 0.000 0.047) 4.692 4.103 ( 17.102 0.000 23.016) 28.674 5.190 ( -27.162 0.000 15.205) 31.128 5.483 ( 9.550 0.000 -29.868) 31.358 6.060 ( -16.003 0.000 -18.024) 24.103 6.443 ( -0.319 0.000 2.329) 2.351 6.517 ( -3.137 0.000 -0.027) 3.137 6.842 ( -0.646 0.000 2.984) 3.053 7.003 ( -6.580 0.000 -4.956) 8.238 7.193 ( 6.657 0.000 2.330) 7.053 7.300 ( 0.560 0.000 -2.709) 2.766 7.841 ( 4.941 0.000 -2.329) 5.462 7.937 ( -1.448 0.000 -3.150) 3.467 8.224 ( 11.481 0.000 10.549) 15.591 8.663 ( 8.694 0.000 -2.405) 9.020 8.935 ( -4.372 0.000 10.150) 11.052 9.570 ( -19.145 0.000 -11.430) 22.297 15.415 ( 2.040 0.000 1.645) 2.621 15.496 ( 0.048 0.000 -0.996) 0.997 15.525 ( -0.637 0.000 0.365) 0.735 15.595 ( -2.108 0.000 -1.806) 2.776 15.798 ( 1.761 0.000 2.812) 3.317 15.867 ( -1.411 0.000 1.431) 2.010 15.986 ( 2.499 0.000 -0.618) 2.575 16.090 ( -2.217 0.000 -3.523) 4.162 16.250 ( 5.095 0.000 2.279) 5.581 16.356 ( 4.365 0.000 -2.403) 4.983 16.501 ( -4.711 0.000 2.255) 5.223 16.602 ( -5.271 0.000 -2.189) 5.708 18.945 ( -0.612 0.000 -0.192) 0.641 18.955 ( -0.861 0.000 -1.385) 1.630 18.977 ( -0.284 0.000 -0.614) 0.677 19.041 ( -3.032 0.000 -2.403) 3.868 33.621 ( -0.328 0.000 3.728) 3.742 33.637 ( -1.556 0.000 3.490) 3.821 34.157 ( 0.132 0.000 -0.420) 0.440 34.171 ( -0.573 0.000 -0.861) 1.035 35.891 ( 3.938 0.000 -0.382) 3.957 35.934 ( 2.914 0.000 -2.993) 4.177 36.834 ( -0.858 0.000 1.481) 1.711 36.845 ( -1.066 0.000 0.598) 1.222 42.441 ( 0.496 0.000 3.703) 3.736 42.469 ( -1.448 0.000 5.625) 5.809 42.645 ( 7.771 0.000 -1.021) 7.838 42.745 ( 3.481 0.000 6.635) 7.492 42.783 ( -0.597 0.000 0.774) 0.977 42.939 ( -1.051 0.000 -6.942) 7.021 43.211 ( 5.606 0.000 -0.902) 5.678 43.212 ( 3.289 0.000 0.824) 3.391 43.442 ( -1.653 0.000 -5.090) 5.352 43.462 ( -3.107 0.000 -3.860) 4.955 43.776 ( -4.151 0.000 1.263) 4.339 43.808 ( -6.597 0.000 0.931) 6.662 50.299 ( -5.236 0.000 17.769) 18.524 50.317 ( -10.053 0.000 22.799) 24.917 50.849 ( 17.002 0.000 -2.321) 17.160 50.852 ( 12.308 0.000 -4.354) 13.056 51.410 ( 4.279 0.000 -2.620) 5.018 51.491 ( 3.105 0.000 -5.742) 6.528 51.717 ( -5.889 0.000 1.784) 6.153 51.757 ( -4.996 0.000 0.137) 4.998 52.333 ( 8.971 0.000 41.100) 42.068 53.431 ( -37.337 0.000 15.106) 40.277 55.301 ( 16.999 0.000 -47.410) 50.365 55.678 ( 4.127 0.000 -51.705) 51.869 91.448 ( 1.203 0.000 2.011) 2.343 91.473 ( 1.044 0.000 0.249) 1.073 91.516 ( -0.634 0.000 2.784) 2.855 91.548 ( -0.798 0.000 0.550) 0.969 91.831 ( 2.497 0.000 3.027) 3.925 91.936 ( -2.247 0.000 3.096) 3.826 91.947 ( 2.896 0.000 -2.269) 3.679 92.078 ( -3.074 0.000 -3.181) 4.423 93.524 ( 10.741 0.000 2.385) 11.003 93.609 ( 7.044 0.000 -0.434) 7.057 93.708 ( 2.993 0.000 9.578) 10.034 93.980 ( -6.171 0.000 -0.537) 6.194 94.468 ( 3.551 0.000 2.467) 4.323 94.753 ( -2.043 0.000 -8.907) 9.138 94.765 ( -8.358 0.000 -2.133) 8.625 94.766 ( -3.725 0.000 -3.998) 5.464 ======================= Grid point 213 (68/128) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -6.983 0.000 14.162) 15.790 1.678 ( 6.983 0.000 14.162) 15.790 1.955 ( -9.254 0.000 15.214) 17.807 1.955 ( 9.254 0.000 15.214) 17.807 2.190 ( -0.056 0.000 -2.540) 2.540 2.190 ( 0.056 0.000 -2.540) 2.540 2.793 ( -4.572 0.000 -6.797) 8.192 2.793 ( 4.572 0.000 -6.797) 8.192 2.923 ( -1.996 0.000 -1.104) 2.281 2.923 ( 1.996 0.000 -1.104) 2.281 3.086 ( -0.598 0.000 -2.723) 2.788 3.086 ( 0.598 0.000 -2.723) 2.788 3.335 ( -0.039 0.000 -1.384) 1.385 3.335 ( 0.039 0.000 -1.384) 1.385 3.754 ( -2.669 0.000 2.237) 3.483 3.754 ( 2.669 0.000 2.237) 3.483 4.587 ( -29.580 0.000 24.150) 38.186 4.587 ( 29.580 0.000 24.150) 38.186 5.737 ( -12.710 0.000 -24.651) 27.735 5.737 ( 12.710 0.000 -24.651) 27.735 6.468 ( -1.171 0.000 1.262) 1.722 6.468 ( 1.171 0.000 1.262) 1.722 6.887 ( -4.565 0.000 -2.243) 5.087 6.887 ( 4.565 0.000 -2.243) 5.087 7.285 ( -0.814 0.000 -0.798) 1.140 7.285 ( 0.814 0.000 -0.798) 1.140 7.903 ( -2.012 0.000 -3.095) 3.692 7.903 ( 2.012 0.000 -3.095) 3.692 8.493 ( -10.808 0.000 16.598) 19.806 8.493 ( 10.808 0.000 16.598) 19.806 9.186 ( -18.511 0.000 -12.291) 22.220 9.186 ( 18.511 0.000 -12.291) 22.220 15.460 ( -1.707 0.000 1.479) 2.259 15.460 ( 1.707 0.000 1.479) 2.259 15.552 ( -1.331 0.000 -1.856) 2.284 15.552 ( 1.331 0.000 -1.856) 2.284 15.834 ( -1.777 0.000 2.392) 2.980 15.834 ( 1.777 0.000 2.392) 2.980 16.040 ( -2.712 0.000 -2.388) 3.613 16.040 ( 2.712 0.000 -2.388) 3.613 16.357 ( -5.000 0.000 1.538) 5.232 16.357 ( 5.000 0.000 1.538) 5.232 16.494 ( -4.834 0.000 -1.591) 5.089 16.494 ( 4.834 0.000 -1.591) 5.089 18.941 ( -0.272 0.000 -0.922) 0.961 18.941 ( 0.272 0.000 -0.922) 0.961 18.993 ( -1.160 0.000 -1.876) 2.206 18.993 ( 1.160 0.000 -1.876) 2.206 33.620 ( -0.262 0.000 3.668) 3.677 33.620 ( 0.262 0.000 3.668) 3.677 34.161 ( -0.109 0.000 -0.651) 0.660 34.161 ( 0.109 0.000 -0.651) 0.660 35.948 ( -1.289 0.000 -1.518) 1.991 35.948 ( 1.289 0.000 -1.518) 1.991 36.829 ( -0.107 0.000 1.156) 1.161 36.829 ( 0.107 0.000 1.156) 1.161 42.448 ( -0.096 0.000 5.235) 5.236 42.448 ( 0.096 0.000 5.235) 5.236 42.752 ( -2.743 0.000 1.236) 3.009 42.752 ( 2.743 0.000 1.236) 3.009 42.850 ( -6.367 0.000 -0.224) 6.371 42.850 ( 6.367 0.000 -0.224) 6.371 43.280 ( -0.198 0.000 -1.502) 1.515 43.280 ( 0.198 0.000 -1.502) 1.515 43.418 ( -0.002 0.000 -3.880) 3.880 43.418 ( 0.002 0.000 -3.880) 3.880 43.729 ( -0.121 0.000 0.642) 0.653 43.729 ( 0.121 0.000 0.642) 0.653 50.230 ( -0.217 0.000 20.013) 20.014 50.230 ( 0.217 0.000 20.013) 20.014 51.018 ( -0.695 0.000 -6.084) 6.124 51.018 ( 0.695 0.000 -6.084) 6.124 51.513 ( -4.124 0.000 -2.766) 4.966 51.513 ( 4.124 0.000 -2.766) 4.966 51.652 ( -2.886 0.000 -0.443) 2.919 51.652 ( 2.886 0.000 -0.443) 2.919 52.726 ( -28.390 0.000 31.486) 42.395 52.726 ( 28.390 0.000 31.486) 42.395 55.595 ( -2.490 0.000 -50.942) 51.003 55.595 ( 2.490 0.000 -50.942) 51.003 91.470 ( -0.313 0.000 2.151) 2.174 91.470 ( 0.313 0.000 2.151) 2.174 91.527 ( -0.383 0.000 0.915) 0.992 91.527 ( 0.383 0.000 0.915) 0.992 91.885 ( -1.430 0.000 3.022) 3.343 91.885 ( 1.430 0.000 3.022) 3.343 92.012 ( -1.460 0.000 -2.665) 3.039 92.012 ( 1.460 0.000 -2.665) 3.039 93.665 ( -0.092 0.000 3.723) 3.724 93.665 ( 0.092 0.000 3.723) 3.724 93.824 ( -3.113 0.000 4.577) 5.535 93.824 ( 3.113 0.000 4.577) 5.535 94.583 ( -2.231 0.000 -0.511) 2.289 94.583 ( 2.231 0.000 -0.511) 2.289 94.736 ( -0.002 0.000 -8.393) 8.393 94.736 ( 0.002 0.000 -8.393) 8.393 ======================= Grid point 217 (69/128) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 9.474 21.386) 23.391 1.314 ( 0.000 3.002 26.224) 26.395 1.913 ( 0.000 2.301 -18.641) 18.782 2.115 ( 0.000 3.509 0.118) 3.511 2.380 ( 0.000 4.678 7.791) 9.088 2.507 ( 0.000 3.981 8.790) 9.650 2.529 ( 0.000 2.723 3.078) 4.110 2.658 ( 0.000 -0.453 0.607) 0.757 2.962 ( 0.000 -0.797 5.588) 5.644 3.073 ( 0.000 -0.249 -1.740) 1.758 3.117 ( 0.000 -0.574 1.593) 1.693 3.160 ( 0.000 2.332 -1.937) 3.031 3.185 ( 0.000 -0.613 2.821) 2.887 3.260 ( 0.000 4.287 7.068) 8.267 3.308 ( 0.000 3.330 4.500) 5.598 3.642 ( 0.000 1.473 -7.441) 7.585 3.771 ( 0.000 7.758 17.543) 19.182 5.268 ( 0.000 1.090 -38.099) 38.114 5.752 ( 0.000 0.382 11.508) 11.514 6.301 ( 0.000 -1.866 -12.723) 12.859 6.598 ( 0.000 0.882 2.763) 2.900 6.753 ( 0.000 0.399 -4.222) 4.241 6.947 ( 0.000 2.840 11.712) 12.052 7.030 ( 0.000 -6.439 6.594) 9.216 7.241 ( 0.000 -2.437 2.166) 3.261 7.302 ( 0.000 0.385 -0.765) 0.856 7.550 ( 0.000 12.561 -6.844) 14.305 8.020 ( 0.000 -0.483 1.940) 1.999 8.032 ( 0.000 -4.861 -20.439) 21.010 8.038 ( 0.000 0.035 1.513) 1.514 9.141 ( 0.000 -11.670 25.171) 27.745 9.983 ( 0.000 -10.805 -15.351) 18.772 15.384 ( 0.000 1.438 1.844) 2.339 15.490 ( 0.000 2.377 -2.743) 3.630 15.588 ( 0.000 1.407 1.808) 2.292 15.676 ( 0.000 2.649 -2.014) 3.328 15.721 ( 0.000 -3.183 3.106) 4.447 15.850 ( 0.000 -3.264 -2.568) 4.153 15.907 ( 0.000 -3.500 4.285) 5.533 16.096 ( 0.000 -3.404 2.500) 4.223 16.105 ( 0.000 -3.700 -4.392) 5.743 16.209 ( 0.000 -3.258 -2.396) 4.044 16.599 ( 0.000 -2.895 2.221) 3.648 16.696 ( 0.000 -2.900 -2.090) 3.575 18.949 ( 0.000 -0.805 -0.414) 0.905 18.969 ( 0.000 -0.710 -1.476) 1.638 19.059 ( 0.000 0.966 1.387) 1.691 19.128 ( 0.000 -0.404 -1.578) 1.629 33.656 ( 0.000 2.216 4.034) 4.602 33.710 ( 0.000 -0.001 2.046) 2.046 34.224 ( 0.000 5.710 -0.311) 5.719 34.296 ( 0.000 9.473 -4.353) 10.425 35.757 ( 0.000 -0.239 0.244) 0.341 35.775 ( 0.000 0.318 -0.545) 0.631 36.858 ( 0.000 -0.120 1.807) 1.811 36.917 ( 0.000 2.563 -1.622) 3.033 42.380 ( 0.000 2.405 0.881) 2.561 42.463 ( 0.000 4.389 -2.667) 5.135 42.586 ( 0.000 4.576 8.142) 9.340 42.687 ( 0.000 2.432 6.540) 6.978 42.829 ( 0.000 5.105 -1.607) 5.352 42.882 ( 0.000 3.054 -1.307) 3.322 43.102 ( 0.000 3.099 0.426) 3.128 43.224 ( 0.000 2.539 -5.645) 6.190 43.535 ( 0.000 1.332 -2.724) 3.032 43.580 ( 0.000 4.343 -3.819) 5.784 43.929 ( 0.000 3.398 2.934) 4.490 44.041 ( 0.000 1.936 -1.112) 2.232 50.219 ( 0.000 -1.383 5.357) 5.532 50.412 ( 0.000 -3.831 20.001) 20.365 50.486 ( 0.000 -2.581 -5.602) 6.168 51.017 ( 0.000 -5.549 10.248) 11.654 51.175 ( 0.000 -8.190 -13.650) 15.919 51.365 ( 0.000 -5.930 -6.913) 9.108 51.779 ( 0.000 -8.054 2.830) 8.537 51.897 ( 0.000 -7.225 -2.442) 7.627 52.073 ( 0.000 -11.522 47.706) 49.078 53.444 ( 0.000 -72.021 52.199) 88.948 54.494 ( 0.000 -25.769 -57.176) 62.714 55.012 ( 0.000 -23.706 -30.715) 38.799 91.399 ( 0.000 -0.857 1.213) 1.485 91.429 ( 0.000 0.306 -0.357) 0.470 91.553 ( 0.000 -0.516 0.532) 0.741 91.563 ( 0.000 -0.137 0.511) 0.529 91.747 ( 0.000 -2.693 2.934) 3.982 91.862 ( 0.000 -2.028 -2.243) 3.024 91.915 ( 0.000 -7.584 4.532) 8.835 92.082 ( 0.000 -6.811 -2.859) 7.387 92.806 ( 0.000 -17.539 17.897) 25.058 93.435 ( 0.000 -1.027 -15.862) 15.895 93.682 ( 0.000 2.851 9.970) 10.370 94.124 ( 0.000 0.675 -9.148) 9.173 94.417 ( 0.000 -2.401 4.244) 4.876 94.577 ( 0.000 -4.460 -3.893) 5.920 95.047 ( 0.000 6.135 4.887) 7.843 95.333 ( 0.000 18.919 -7.063) 20.194 ======================= Grid point 218 (70/128) ======================= q-point: ( 0.17 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 16.550 7.730 16.372) 24.530 1.358 ( 6.046 3.645 23.599) 24.632 2.019 ( 8.269 2.389 -16.217) 18.359 2.151 ( 1.097 2.082 -4.541) 5.115 2.295 ( -5.999 4.860 12.123) 14.373 2.477 ( -3.471 2.195 5.539) 6.895 2.585 ( 5.363 2.589 4.973) 7.758 2.650 ( 0.027 0.718 2.925) 3.012 2.910 ( -2.955 -0.017 4.573) 5.444 2.993 ( -2.797 1.367 -1.405) 3.415 3.114 ( -0.892 0.578 -0.605) 1.223 3.140 ( -1.647 0.851 -4.790) 5.136 3.214 ( -0.080 0.993 5.062) 5.159 3.335 ( 6.630 3.295 3.347) 8.125 3.433 ( 7.835 2.613 4.084) 9.214 3.628 ( 3.497 1.188 -2.707) 4.579 3.914 ( 10.367 6.596 17.029) 21.000 5.315 ( 4.659 0.633 -35.883) 36.190 5.632 ( -12.952 0.044 13.395) 18.633 6.258 ( -6.002 -2.909 -13.858) 15.380 6.514 ( -5.628 0.832 2.147) 6.081 6.623 ( -8.487 -0.484 -1.150) 8.578 6.923 ( -6.124 -0.375 6.681) 9.071 7.059 ( 7.463 1.966 7.063) 10.461 7.193 ( -7.117 2.940 -3.369) 8.405 7.295 ( 3.123 1.088 -1.180) 3.512 7.697 ( 9.808 3.803 -3.612) 11.123 7.954 ( -1.632 -1.300 -4.600) 5.052 8.053 ( 2.797 -1.503 3.753) 4.916 8.289 ( 17.175 -3.893 -12.620) 21.666 9.041 ( -9.394 -10.793 23.674) 27.663 9.827 ( -14.107 -9.407 -13.474) 21.658 15.395 ( 1.081 1.358 1.804) 2.504 15.497 ( 0.641 2.062 -2.589) 3.371 15.574 ( -1.245 1.683 1.738) 2.721 15.658 ( -1.445 2.396 -1.836) 3.347 15.736 ( 1.287 -2.926 2.945) 4.347 15.853 ( -0.125 -3.135 -1.038) 3.305 15.913 ( 0.929 -3.568 2.508) 4.460 16.089 ( -1.196 -3.566 -3.802) 5.348 16.132 ( 3.055 -3.431 2.067) 5.037 16.242 ( 3.197 -3.249 -2.447) 5.173 16.561 ( -3.562 -2.855 2.301) 5.112 16.662 ( -3.345 -2.908 -2.152) 4.927 18.947 ( -0.155 -0.743 -0.539) 0.931 18.962 ( -0.591 -0.608 -1.470) 1.697 19.026 ( -2.591 1.273 1.266) 3.152 19.100 ( -2.525 -0.231 -1.745) 3.078 33.652 ( -0.393 2.227 3.877) 4.489 33.687 ( -1.856 0.850 2.838) 3.496 34.221 ( -0.276 5.643 -0.370) 5.662 34.272 ( -1.760 8.444 -2.746) 9.052 35.812 ( 3.322 0.093 -0.354) 3.342 35.828 ( 5.548 -0.889 -1.769) 5.891 36.850 ( -0.704 0.212 1.905) 2.042 36.902 ( -1.351 2.518 -0.966) 3.016 42.420 ( 2.796 1.980 1.743) 3.844 42.504 ( 2.171 3.238 -0.056) 3.899 42.598 ( 2.584 6.417 4.832) 8.438 42.710 ( 2.207 2.151 6.802) 7.468 42.835 ( 0.439 5.173 -1.160) 5.320 42.923 ( 3.831 3.156 -4.209) 6.508 43.142 ( 3.885 3.162 0.111) 5.011 43.224 ( 0.062 3.043 -3.211) 4.424 43.504 ( -2.553 1.683 -2.890) 4.207 43.561 ( -1.814 4.453 -3.963) 6.231 43.891 ( -3.549 3.243 2.425) 5.385 43.972 ( -6.138 2.338 0.063) 6.568 50.287 ( 0.081 -7.987 12.572) 14.895 50.438 ( 5.101 0.095 9.343) 10.645 50.542 ( -0.468 -7.879 2.364) 8.239 50.705 ( -9.612 -3.066 12.744) 16.254 51.260 ( 3.727 -7.701 -4.907) 9.863 51.382 ( 1.624 -5.851 -6.580) 8.954 51.739 ( -3.879 -8.180 2.490) 9.390 51.755 ( -5.743 -9.555 7.674) 13.534 52.165 ( 1.643 -8.777 32.126) 33.344 53.381 ( -10.261 -58.759 20.653) 63.122 54.686 ( 11.533 -27.258 -39.888) 49.670 55.182 ( 18.360 -26.513 -39.658) 51.115 91.411 ( 0.962 -1.040 1.465) 2.038 91.445 ( 1.468 0.129 -0.420) 1.532 91.531 ( -1.798 -0.926 2.102) 2.917 91.562 ( -0.087 0.097 0.424) 0.443 91.758 ( 1.054 -3.080 2.868) 4.338 91.869 ( 0.766 -3.677 -1.907) 4.212 91.918 ( 0.004 -5.005 3.409) 6.055 92.083 ( -0.182 -4.626 -3.338) 5.707 92.950 ( 12.731 -17.640 14.388) 26.082 93.506 ( 5.970 -1.887 -12.882) 14.322 93.711 ( 3.428 2.698 8.008) 9.119 94.120 ( -0.483 2.442 -7.555) 7.954 94.392 ( -2.580 -4.613 3.259) 6.210 94.529 ( -4.622 -5.258 -4.331) 8.232 95.000 ( -4.332 6.945 4.806) 9.492 95.262 ( -5.930 18.001 -5.453) 19.721 ======================= Grid point 219 (71/128) ======================= q-point: ( 0.33 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 9.044 1.631 22.373) 24.187 1.637 ( 15.446 7.507 8.997) 19.388 2.025 ( -9.896 3.377 10.832) 15.056 2.146 ( 2.250 3.856 -9.119) 10.153 2.242 ( -1.336 3.580 -4.062) 5.577 2.353 ( -8.814 4.669 13.221) 16.562 2.668 ( 6.233 -0.058 -5.969) 8.630 2.762 ( 5.497 -1.426 1.188) 5.802 2.891 ( 1.781 1.955 -0.881) 2.787 2.984 ( 0.265 3.573 -0.329) 3.598 3.087 ( -2.688 -1.524 -6.022) 6.769 3.104 ( -0.007 0.573 -1.857) 1.943 3.252 ( 3.951 -0.073 2.988) 4.954 3.377 ( -0.694 4.176 -1.586) 4.521 3.626 ( 9.633 0.117 4.303) 10.551 3.740 ( 4.908 0.824 0.265) 4.983 4.175 ( 17.154 7.230 24.550) 30.810 5.213 ( -26.461 2.052 16.348) 31.171 5.462 ( 8.648 -1.976 -28.106) 29.473 6.033 ( -14.534 -2.519 -16.889) 22.424 6.450 ( -0.893 1.132 0.899) 1.699 6.518 ( -2.263 0.385 -0.861) 2.452 6.858 ( -0.197 1.422 2.379) 2.778 7.037 ( -7.149 2.338 -5.556) 9.351 7.203 ( 5.141 2.028 4.183) 6.931 7.351 ( 2.248 3.867 -0.907) 4.564 7.843 ( 4.422 0.063 -3.325) 5.533 7.929 ( -1.138 -0.687 -3.683) 3.915 8.165 ( 8.318 -5.575 10.955) 14.842 8.624 ( 9.950 -3.777 -3.173) 11.105 8.843 ( -3.678 -9.082 10.229) 14.165 9.490 ( -18.416 -7.709 -12.436) 23.522 15.424 ( 1.674 1.007 1.638) 2.550 15.503 ( -0.581 0.857 -0.820) 1.321 15.555 ( -0.056 2.845 0.216) 2.854 15.626 ( -1.677 2.796 -1.819) 3.733 15.767 ( 1.728 -3.027 2.863) 4.511 15.836 ( -1.411 -3.093 1.608) 3.761 15.949 ( 2.502 -3.577 -0.771) 4.433 16.054 ( -2.211 -3.575 -3.564) 5.511 16.217 ( 5.211 -3.205 2.309) 6.539 16.325 ( 4.531 -3.106 -2.421) 6.003 16.471 ( -4.897 -2.993 2.262) 6.168 16.572 ( -5.345 -2.983 -2.199) 6.504 18.944 ( -0.189 -0.310 -0.751) 0.834 18.949 ( -0.602 -0.490 -1.480) 1.671 18.985 ( -1.106 0.922 0.031) 1.440 19.043 ( -2.723 0.209 -1.779) 3.259 33.644 ( -0.349 2.231 3.647) 4.289 33.654 ( -1.193 1.775 3.523) 4.122 34.215 ( -0.258 5.474 -0.455) 5.499 34.244 ( -0.966 6.989 -1.409) 7.195 35.887 ( 3.633 -0.419 -0.411) 3.681 35.921 ( 2.970 -1.253 -2.473) 4.063 36.837 ( -0.419 0.873 1.789) 2.034 36.873 ( -1.334 2.271 0.016) 2.634 42.449 ( 0.205 1.917 4.182) 4.605 42.512 ( -0.496 3.606 3.933) 5.359 42.708 ( 6.619 5.888 -0.129) 8.860 42.769 ( 3.696 2.721 6.220) 7.730 42.839 ( -0.051 5.365 0.558) 5.394 42.979 ( -0.320 3.988 -6.716) 7.817 43.236 ( 4.072 3.106 0.977) 5.213 43.257 ( 4.859 3.849 -1.165) 6.307 43.461 ( -1.433 2.033 -4.067) 4.767 43.511 ( -3.041 4.589 -4.026) 6.821 43.803 ( -4.854 2.667 1.406) 5.714 43.837 ( -6.087 2.823 0.934) 6.775 50.202 ( -6.499 -10.021 17.206) 20.945 50.219 ( -10.114 -10.486 22.902) 27.143 50.770 ( 15.019 -5.219 -1.513) 15.972 50.872 ( 13.017 -0.440 -4.269) 13.706 51.332 ( 3.961 -8.179 -2.614) 9.456 51.420 ( 1.781 -6.739 -5.536) 8.902 51.640 ( -5.413 -8.127 1.951) 9.957 51.666 ( -4.647 -8.919 1.044) 10.111 52.194 ( 4.968 -12.784 32.936) 35.678 53.002 ( -25.478 -38.005 11.668) 47.220 54.864 ( 7.104 -33.977 -33.371) 48.151 55.560 ( 14.410 -20.502 -47.325) 53.550 91.430 ( 0.852 -1.421 1.926) 2.541 91.477 ( 1.455 -0.202 -0.613) 1.592 91.497 ( -1.371 -1.216 3.632) 4.068 91.558 ( -0.301 0.543 0.294) 0.687 91.786 ( 1.539 -4.198 2.356) 5.054 91.883 ( 0.050 -5.326 0.370) 5.339 91.919 ( 0.546 -2.344 0.435) 2.446 92.069 ( -1.133 -1.391 -3.055) 3.543 93.231 ( 13.497 -14.719 9.987) 22.329 93.593 ( 1.553 -4.510 -0.246) 4.776 93.851 ( 9.889 4.706 -0.369) 10.958 94.101 ( -1.569 8.017 -2.544) 8.556 94.318 ( -4.151 -10.053 -0.419) 10.885 94.408 ( -6.876 -10.308 -7.491) 14.479 94.901 ( -4.633 9.355 5.226) 11.674 95.151 ( -4.215 15.604 -4.367) 16.743 ======================= Grid point 220 (72/128) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.000 -1.498 21.915) 21.966 1.789 ( 0.000 7.135 6.565) 9.696 1.926 ( 0.000 2.618 9.349) 9.709 2.127 ( 0.000 9.694 10.403) 14.220 2.214 ( 0.000 3.465 -3.027) 4.601 2.249 ( -0.000 4.811 1.352) 4.998 2.771 ( -0.000 -1.875 -7.341) 7.576 2.787 ( 0.000 -0.465 -6.592) 6.608 2.953 ( 0.000 3.138 -3.148) 4.444 2.953 ( -0.000 2.321 -1.528) 2.779 3.063 ( 0.000 -1.164 -2.593) 2.842 3.112 ( 0.000 1.468 -1.222) 1.910 3.310 ( 0.000 -0.861 -0.610) 1.055 3.358 ( 0.000 1.018 -1.939) 2.190 3.749 ( 0.000 -0.181 3.038) 3.043 3.775 ( 0.000 1.587 2.163) 2.683 4.598 ( 0.000 3.862 26.777) 27.054 4.678 ( -0.000 6.138 21.258) 22.127 5.623 ( 0.000 -6.247 -21.247) 22.147 5.808 ( -0.000 2.181 -24.293) 24.390 6.449 ( 0.000 0.258 0.383) 0.462 6.497 ( 0.000 1.387 -0.473) 1.466 6.906 ( 0.000 1.206 -1.870) 2.225 6.914 ( -0.000 2.339 -3.792) 4.455 7.257 ( 0.000 1.110 2.348) 2.597 7.376 ( 0.000 4.984 -0.257) 4.991 7.893 ( 0.000 -0.918 -3.296) 3.422 7.907 ( 0.000 0.323 -3.979) 3.992 8.304 ( 0.000 -12.044 18.309) 21.915 8.558 ( -0.000 -0.045 14.892) 14.892 9.066 ( 0.000 -9.808 -14.615) 17.601 9.154 ( -0.000 -4.988 -10.998) 12.076 15.450 ( -0.000 0.301 1.250) 1.286 15.485 ( 0.000 1.221 1.115) 1.654 15.564 ( 0.000 2.487 -1.416) 2.862 15.603 ( 0.000 3.561 -1.685) 3.940 15.800 ( 0.000 -3.169 2.528) 4.054 15.805 ( 0.000 -3.030 2.500) 3.929 16.000 ( 0.000 -3.720 -2.441) 4.449 16.007 ( -0.000 -3.427 -2.523) 4.256 16.327 ( 0.000 -3.030 1.615) 3.433 16.328 ( -0.000 -2.866 1.601) 3.283 16.462 ( -0.000 -3.151 -1.653) 3.558 16.463 ( 0.000 -3.222 -1.693) 3.640 18.940 ( 0.000 -0.051 -1.510) 1.511 18.943 ( 0.000 -0.218 -0.827) 0.855 18.980 ( 0.000 -0.072 -1.114) 1.117 19.010 ( 0.000 0.827 -1.348) 1.582 33.641 ( -0.000 2.155 3.629) 4.220 33.642 ( 0.000 2.095 3.557) 4.128 34.212 ( 0.000 5.352 -0.484) 5.374 34.234 ( 0.000 6.508 -1.128) 6.605 35.935 ( 0.000 -1.046 -1.174) 1.572 35.941 ( 0.000 -0.847 -1.482) 1.707 36.834 ( 0.000 1.199 1.438) 1.872 36.857 ( 0.000 2.102 0.589) 2.184 42.448 ( 0.000 2.019 5.030) 5.420 42.505 ( 0.000 4.016 4.278) 5.868 42.785 ( -0.000 3.144 4.755) 5.700 42.805 ( 0.000 5.213 -0.493) 5.236 42.895 ( -0.000 5.059 -3.004) 5.884 42.908 ( 0.000 5.199 0.936) 5.283 43.291 ( 0.000 2.587 0.182) 2.594 43.337 ( 0.000 4.089 -2.881) 5.002 43.448 ( 0.000 3.457 -3.130) 4.663 43.461 ( 0.000 3.756 -4.189) 5.626 43.736 ( 0.000 1.718 1.430) 2.235 43.774 ( 0.000 3.406 0.162) 3.410 50.111 ( 0.000 -11.477 19.421) 22.559 50.141 ( 0.000 -10.480 19.694) 22.308 50.949 ( 0.000 -5.250 -4.558) 6.953 51.022 ( 0.000 -1.163 -6.786) 6.884 51.407 ( 0.000 -11.306 -2.692) 11.622 51.434 ( 0.000 -7.204 -3.116) 7.848 51.575 ( 0.000 -6.953 0.564) 6.976 51.578 ( -0.000 -8.034 0.346) 8.042 52.417 ( 0.000 -22.223 20.658) 30.342 52.542 ( -0.000 -22.516 26.119) 34.485 54.944 ( 0.000 -38.131 -33.758) 50.927 55.702 ( 0.000 -15.096 -47.816) 50.143 91.440 ( 0.000 -1.689 2.069) 2.671 91.482 ( 0.000 -1.101 4.111) 4.256 91.494 ( 0.000 -0.538 -0.849) 1.005 91.554 ( 0.000 0.864 0.351) 0.932 91.806 ( 0.000 -5.409 1.765) 5.690 91.877 ( 0.000 -3.686 2.759) 4.604 91.931 ( 0.000 -3.517 -2.088) 4.090 92.053 ( 0.000 0.388 -2.521) 2.550 93.397 ( 0.000 -10.336 7.725) 12.904 93.591 ( 0.000 -9.955 5.159) 11.212 93.998 ( 0.000 14.570 1.846) 14.686 94.064 ( 0.000 11.708 1.827) 11.849 94.291 ( 0.000 -14.366 -7.341) 16.133 94.291 ( -0.000 -19.639 -10.669) 22.350 94.849 ( 0.000 11.048 5.801) 12.479 95.108 ( 0.000 14.306 -4.414) 14.971 ======================= Grid point 224 (73/128) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 14.353 16.844) 22.130 1.460 ( 0.000 12.061 16.269) 20.252 1.985 ( 0.000 5.023 -15.263) 16.068 2.176 ( 0.000 2.658 -9.485) 9.850 2.505 ( 0.000 7.469 4.090) 8.515 2.586 ( 0.000 3.021 8.686) 9.197 2.606 ( 0.000 4.860 1.979) 5.248 2.657 ( 0.000 0.609 -0.319) 0.687 2.953 ( 0.000 -0.179 3.068) 3.073 3.074 ( 0.000 0.529 2.075) 2.142 3.128 ( 0.000 1.459 0.673) 1.607 3.173 ( 0.000 -0.483 1.618) 1.689 3.232 ( 0.000 4.539 -2.692) 5.278 3.307 ( 0.000 -2.931 -2.607) 3.923 3.362 ( 0.000 5.840 5.534) 8.046 3.679 ( 0.000 2.145 -6.388) 6.738 4.036 ( 0.000 18.092 25.894) 31.588 5.287 ( 0.000 0.622 -27.654) 27.661 5.751 ( 0.000 -0.795 10.133) 10.164 6.233 ( 0.000 -5.176 -10.844) 12.017 6.623 ( 0.000 1.471 3.050) 3.386 6.771 ( 0.000 1.685 -3.569) 3.947 6.893 ( 0.000 -3.704 11.850) 12.415 7.093 ( 0.000 7.118 5.459) 8.971 7.191 ( 0.000 -2.446 2.795) 3.714 7.304 ( 0.000 -0.036 -2.684) 2.684 7.660 ( 0.000 -3.571 -8.327) 9.060 7.970 ( 0.000 0.697 -17.395) 17.409 8.012 ( 0.000 -0.232 1.772) 1.787 8.041 ( 0.000 0.393 0.901) 0.983 8.837 ( 0.000 -17.899 24.679) 30.487 9.724 ( 0.000 -14.482 -19.289) 24.120 15.423 ( 0.000 2.159 2.059) 2.983 15.549 ( 0.000 2.989 -3.323) 4.470 15.631 ( 0.000 2.848 2.313) 3.669 15.637 ( 0.000 -4.746 3.200) 5.724 15.741 ( 0.000 3.267 -2.317) 4.005 15.762 ( 0.000 -5.248 -2.264) 5.715 15.813 ( 0.000 -5.239 3.842) 6.497 16.002 ( 0.000 -6.014 2.594) 6.549 16.003 ( 0.000 -6.457 -4.253) 7.732 16.117 ( 0.000 -5.874 -2.435) 6.359 16.518 ( 0.000 -5.130 2.262) 5.607 16.614 ( 0.000 -5.357 -2.001) 5.718 18.929 ( 0.000 -1.145 -0.437) 1.225 18.955 ( 0.000 -0.611 -1.678) 1.786 19.083 ( 0.000 1.405 1.018) 1.735 19.117 ( 0.000 -0.680 -0.365) 0.772 33.717 ( 0.000 3.803 3.792) 5.371 33.736 ( 0.000 2.579 3.147) 4.069 34.366 ( 0.000 8.298 0.362) 8.306 34.495 ( 0.000 9.573 -5.923) 11.257 35.751 ( 0.000 -0.411 0.601) 0.728 35.784 ( 0.000 0.606 -0.876) 1.065 36.875 ( 0.000 1.817 2.751) 3.298 36.977 ( 0.000 3.472 -2.624) 4.352 42.462 ( 0.000 5.562 1.357) 5.725 42.550 ( 0.000 3.982 -1.422) 4.228 42.721 ( 0.000 9.112 6.725) 11.325 42.783 ( 0.000 7.707 4.958) 9.164 42.969 ( 0.000 5.621 -1.191) 5.745 42.971 ( 0.000 8.909 -2.823) 9.345 43.189 ( 0.000 5.570 0.546) 5.596 43.296 ( 0.000 4.644 -5.299) 7.046 43.588 ( 0.000 4.296 0.081) 4.297 43.698 ( 0.000 7.311 -3.735) 8.210 44.024 ( 0.000 6.070 2.642) 6.620 44.100 ( 0.000 4.063 0.885) 4.159 50.180 ( 0.000 -2.451 4.564) 5.181 50.282 ( 0.000 -10.120 23.455) 25.546 50.411 ( 0.000 -4.983 -4.831) 6.940 50.857 ( 0.000 -10.545 8.954) 13.833 50.872 ( 0.000 -23.736 1.409) 23.778 51.194 ( 0.000 -11.148 -7.012) 13.170 51.546 ( 0.000 -14.654 2.936) 14.946 51.658 ( 0.000 -17.999 -0.397) 18.003 51.756 ( 0.000 -19.680 40.666) 45.178 52.270 ( 0.000 -39.139 46.792) 61.003 53.785 ( 0.000 -44.309 -47.519) 64.972 54.215 ( 0.000 -51.958 -37.964) 64.350 91.382 ( 0.000 -0.820 1.292) 1.530 91.431 ( 0.000 -0.058 -1.014) 1.016 91.541 ( 0.000 -0.753 0.296) 0.809 91.556 ( 0.000 -0.555 0.079) 0.560 91.681 ( 0.000 -3.721 2.895) 4.715 91.701 ( 0.000 -11.775 7.814) 14.132 91.805 ( 0.000 -3.645 -2.516) 4.429 91.923 ( 0.000 -8.237 -2.609) 8.640 92.666 ( 0.000 0.686 14.514) 14.530 93.374 ( 0.000 -2.955 -19.444) 19.667 93.752 ( 0.000 3.862 9.165) 9.945 94.139 ( 0.000 0.684 -7.672) 7.702 94.328 ( 0.000 -4.323 3.741) 5.717 94.536 ( 0.000 -2.465 -6.675) 7.116 95.160 ( 0.000 3.755 11.110) 11.727 95.553 ( 0.000 3.587 -4.490) 5.747 ======================= Grid point 225 (74/128) ======================= q-point: ( 0.17 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 10.118 13.737 12.854) 21.362 1.499 ( 10.188 10.370 15.442) 21.208 2.101 ( 8.795 6.018 -13.764) 17.407 2.197 ( 1.533 2.318 -7.964) 8.435 2.412 ( -6.619 6.694 6.151) 11.245 2.535 ( -3.298 3.158 3.414) 5.701 2.617 ( -0.549 0.857 -0.127) 1.026 2.680 ( 1.723 1.859 2.743) 3.735 2.930 ( -0.100 1.798 3.283) 3.744 3.023 ( -1.630 2.023 0.845) 2.732 3.138 ( -0.655 0.873 -0.831) 1.372 3.160 ( -3.970 1.415 -5.756) 7.134 3.255 ( 1.668 2.311 3.648) 4.629 3.368 ( 9.046 1.398 3.477) 9.792 3.487 ( 6.296 2.375 0.531) 6.750 3.671 ( 1.471 2.692 -3.180) 4.418 4.136 ( 8.947 15.461 24.681) 30.467 5.320 ( 3.313 -0.309 -25.767) 25.981 5.629 ( -12.616 -0.504 11.486) 17.068 6.170 ( -7.153 -5.885 -11.820) 15.017 6.542 ( -4.812 1.750 1.918) 5.467 6.641 ( -7.220 2.702 -0.847) 7.756 6.922 ( -1.915 -0.228 5.122) 5.473 7.120 ( 3.251 3.513 5.215) 7.079 7.230 ( -0.537 0.733 0.171) 0.925 7.308 ( 4.273 1.060 0.484) 4.429 7.726 ( 4.689 -3.588 -5.694) 8.203 7.939 ( -1.085 1.195 -7.550) 7.721 8.024 ( 0.741 -1.020 3.109) 3.355 8.204 ( 13.814 -4.339 -9.406) 17.266 8.760 ( -7.136 -16.419 23.181) 29.289 9.593 ( -12.154 -13.415 -17.598) 25.246 15.433 ( 0.934 2.165 1.977) 3.077 15.549 ( -0.188 2.901 -2.770) 4.016 15.622 ( -0.442 2.734 1.730) 3.266 15.644 ( 0.677 -4.592 2.831) 5.436 15.730 ( -0.906 3.066 -1.845) 3.691 15.767 ( -0.051 -5.174 -0.500) 5.199 15.817 ( 0.860 -5.432 2.057) 5.872 15.989 ( -1.223 -6.299 -4.033) 7.579 16.038 ( 3.404 -5.825 2.407) 7.164 16.151 ( 3.288 -5.785 -2.459) 7.094 16.481 ( -3.547 -5.087 2.281) 6.607 16.579 ( -3.365 -5.350 -2.063) 6.649 18.927 ( -0.114 -1.144 -0.542) 1.271 18.952 ( -0.322 -0.466 -1.725) 1.816 19.056 ( -2.272 1.704 0.990) 3.008 19.094 ( -2.073 -0.373 -0.482) 2.161 33.713 ( -0.361 3.825 3.687) 5.325 33.725 ( -0.932 2.978 3.275) 4.523 34.363 ( -0.332 8.291 0.173) 8.300 34.462 ( -2.623 9.698 -4.256) 10.911 35.806 ( 4.523 -1.178 -0.577) 4.709 35.815 ( 2.838 0.245 -0.683) 2.929 36.873 ( -0.150 2.081 2.541) 3.288 36.961 ( -1.421 3.480 -1.979) 4.248 42.498 ( 2.648 5.737 1.981) 6.621 42.584 ( 2.187 4.541 0.055) 5.040 42.749 ( 3.041 7.674 5.740) 10.054 42.801 ( 2.274 8.531 4.052) 9.714 42.976 ( 0.490 8.572 -1.291) 8.682 43.014 ( 4.181 6.148 -4.164) 8.522 43.231 ( 4.070 5.669 0.259) 6.983 43.307 ( 1.142 5.221 -3.850) 6.586 43.562 ( -2.311 4.364 0.012) 4.939 43.680 ( -1.775 7.215 -3.732) 8.315 43.983 ( -3.905 5.866 2.124) 7.360 44.039 ( -5.681 4.315 1.187) 7.232 50.071 ( -8.453 -14.730 15.823) 23.212 50.277 ( -20.421 -17.977 13.079) 30.187 50.418 ( 9.686 -2.580 7.494) 12.515 50.624 ( 4.554 -5.129 4.267) 8.078 51.022 ( 3.920 -16.018 0.211) 16.492 51.217 ( 1.926 -10.859 -6.578) 12.841 51.465 ( -6.297 -19.017 8.536) 21.776 51.512 ( -3.105 -14.319 2.261) 14.826 51.952 ( 0.931 -11.900 17.959) 21.564 52.303 ( 2.513 -43.699 25.694) 50.756 53.947 ( 9.779 -45.756 -31.616) 56.470 54.383 ( 19.050 -51.230 -37.060) 66.037 91.389 ( 0.583 -1.048 1.461) 1.890 91.443 ( 0.991 -0.363 -1.047) 1.487 91.507 ( -2.303 -1.661 2.800) 3.988 91.559 ( 0.234 -0.501 -0.034) 0.554 91.681 ( 0.095 -4.354 2.318) 4.933 91.730 ( 1.835 -8.619 2.634) 9.197 91.825 ( 1.539 -4.501 -0.743) 4.815 91.963 ( 3.192 -6.841 -3.125) 8.171 92.769 ( 10.106 -1.784 14.046) 17.395 93.438 ( 5.867 -3.281 -17.417) 18.669 93.747 ( -0.419 1.187 8.064) 8.162 94.139 ( -0.125 -0.326 -8.041) 8.048 94.307 ( -1.831 -2.390 3.310) 4.475 94.492 ( -4.354 -1.260 -6.146) 7.636 95.124 ( -3.386 4.074 10.727) 11.964 95.478 ( -6.594 4.002 -2.973) 8.267 ======================= Grid point 226 (75/128) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 6.194 9.875 15.586) 19.463 1.823 ( 13.950 10.793 7.187) 19.045 2.115 ( -6.930 5.515 3.279) 9.444 2.260 ( 3.414 7.282 -6.819) 10.544 2.332 ( -1.508 5.451 -3.610) 6.710 2.455 ( -5.253 4.983 6.851) 9.968 2.670 ( 7.463 0.055 -5.328) 9.170 2.719 ( 1.340 -2.472 -3.915) 4.820 2.956 ( 2.251 4.031 -0.357) 4.631 3.027 ( 1.063 -0.584 -1.070) 1.617 3.079 ( -2.758 2.756 -3.757) 5.414 3.135 ( -0.003 2.075 -0.226) 2.087 3.279 ( 1.688 2.487 3.204) 4.393 3.445 ( -3.084 2.620 -3.492) 5.345 3.630 ( 9.240 0.339 5.593) 10.806 3.763 ( 5.044 1.375 0.534) 5.255 4.376 ( 15.394 12.471 25.174) 32.034 5.249 ( -22.644 0.655 15.427) 27.408 5.425 ( 5.451 -0.740 -20.540) 21.264 5.965 ( -11.401 -4.395 -15.006) 19.352 6.493 ( -0.786 2.883 -0.526) 3.034 6.552 ( -1.794 3.427 -1.779) 4.258 6.884 ( -0.260 0.999 1.021) 1.452 7.067 ( -6.569 0.813 -5.803) 8.802 7.285 ( 4.151 5.325 7.693) 10.236 7.409 ( 4.307 1.587 2.365) 5.164 7.806 ( 2.988 -5.707 -2.238) 6.820 7.926 ( -0.347 1.232 -5.433) 5.582 8.047 ( 1.580 -4.464 8.602) 9.819 8.523 ( 14.952 -6.656 -9.588) 18.968 8.600 ( -5.463 -14.193 14.939) 21.318 9.291 ( -16.958 -11.793 -14.838) 25.432 15.456 ( 1.235 2.063 1.634) 2.907 15.534 ( -1.198 2.207 -0.699) 2.607 15.624 ( 0.481 3.592 -0.087) 3.625 15.664 ( 1.172 -2.858 1.503) 3.435 15.713 ( -0.577 1.460 -0.287) 1.596 15.750 ( -1.452 -5.405 2.150) 5.996 15.853 ( 2.396 -5.765 -1.131) 6.344 15.955 ( -2.160 -6.227 -3.599) 7.510 16.129 ( 5.477 -5.455 2.306) 8.066 16.238 ( 4.877 -5.558 -2.434) 7.785 16.388 ( -5.241 -5.179 2.246) 7.703 16.488 ( -5.474 -5.391 -2.153) 7.979 18.926 ( -0.009 -1.177 -0.825) 1.437 18.944 ( -0.402 -0.167 -1.797) 1.849 19.013 ( -1.598 1.795 0.565) 2.469 19.048 ( -2.098 0.250 -0.543) 2.181 33.706 ( -0.359 3.796 3.558) 5.215 33.707 ( -0.691 3.602 3.328) 4.953 34.356 ( -0.274 8.322 -0.196) 8.329 34.414 ( -1.791 9.466 -2.275) 9.899 35.877 ( 2.895 -0.538 -0.517) 2.990 35.890 ( 3.033 -1.714 -1.345) 3.734 36.872 ( 0.169 2.637 1.890) 3.248 36.929 ( -1.580 3.353 -0.736) 3.779 42.532 ( 0.599 6.440 3.505) 7.356 42.607 ( 0.313 6.039 2.257) 6.454 42.823 ( 3.556 4.991 6.000) 8.576 42.891 ( 6.049 10.025 0.677) 11.728 42.982 ( 0.289 8.802 0.233) 8.810 43.089 ( 1.448 7.004 -6.344) 9.560 43.330 ( 4.151 6.149 1.331) 7.537 43.356 ( 4.821 5.927 -2.199) 7.950 43.521 ( -1.009 4.021 -1.531) 4.419 43.630 ( -3.181 7.010 -3.692) 8.538 43.880 ( -6.248 5.106 1.429) 8.194 43.913 ( -5.266 4.678 1.109) 7.131 49.879 ( -10.519 -23.800 21.389) 33.684 49.905 ( -11.038 -19.501 13.979) 26.411 50.658 ( 12.416 -5.843 1.363) 13.790 50.838 ( 12.019 -2.867 -4.558) 13.170 51.079 ( 1.846 -16.622 -0.065) 16.724 51.251 ( 0.875 -10.095 -5.668) 11.610 51.371 ( -3.513 -18.163 4.062) 18.941 51.444 ( -3.539 -13.331 0.027) 13.793 51.896 ( -1.796 -16.045 18.203) 24.331 52.234 ( -9.805 -33.947 5.354) 35.738 54.087 ( 5.110 -44.409 -16.631) 47.695 54.825 ( 19.133 -51.226 -34.238) 64.517 91.401 ( 0.476 -1.469 1.792) 2.366 91.452 ( -0.604 -1.908 1.617) 2.572 91.484 ( 0.392 -0.598 1.019) 1.244 91.561 ( -0.085 -0.400 -0.362) 0.546 91.686 ( 0.300 -5.423 1.363) 5.600 91.760 ( 1.177 -6.273 -0.087) 6.383 91.853 ( 1.030 -4.255 0.571) 4.415 92.014 ( 1.483 -4.134 -3.377) 5.540 93.036 ( 15.129 -4.980 11.777) 19.809 93.521 ( -1.269 -2.323 -1.537) 3.061 93.783 ( 6.526 -7.967 -5.670) 11.756 94.119 ( -2.554 -5.282 -10.156) 11.729 94.271 ( -1.246 3.481 2.247) 4.327 94.374 ( -6.650 4.188 -3.244) 8.502 95.047 ( -3.548 4.582 10.067) 11.616 95.342 ( -5.785 3.802 -0.937) 6.986 ======================= Grid point 227 (76/128) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.000 7.612 16.241) 17.937 1.964 ( 0.000 10.159 3.835) 10.859 2.024 ( 0.000 6.498 6.774) 9.387 2.291 ( 0.000 6.915 -3.949) 7.963 2.323 ( 0.000 7.273 -3.098) 7.906 2.377 ( -0.000 7.518 8.269) 11.175 2.722 ( 0.000 -3.146 -10.180) 10.655 2.783 ( 0.000 0.094 -6.713) 6.714 3.002 ( -0.000 0.182 -5.765) 5.768 3.003 ( 0.000 2.655 -2.070) 3.366 3.075 ( 0.000 4.027 1.287) 4.228 3.142 ( 0.000 1.546 -0.023) 1.546 3.310 ( -0.000 1.072 0.416) 1.150 3.380 ( 0.000 1.333 -1.694) 2.156 3.742 ( 0.000 -0.428 4.771) 4.791 3.811 ( 0.000 1.714 2.212) 2.798 4.725 ( 0.000 8.052 26.110) 27.323 4.808 ( -0.000 6.650 18.284) 19.456 5.513 ( 0.000 -4.096 -15.384) 15.920 5.816 ( -0.000 -1.589 -20.599) 20.660 6.487 ( 0.000 3.399 -1.072) 3.564 6.540 ( 0.000 3.316 -2.325) 4.050 6.922 ( 0.000 0.344 -2.041) 2.070 6.952 ( -0.000 1.268 -5.531) 5.675 7.329 ( 0.000 5.547 7.064) 8.981 7.456 ( 0.000 2.585 2.640) 3.695 7.837 ( 0.000 -6.757 -1.068) 6.841 7.923 ( 0.000 1.503 -5.355) 5.561 8.070 ( 0.000 -8.703 14.445) 16.864 8.494 ( 0.000 -6.559 14.394) 15.818 8.823 ( 0.000 -13.696 -18.000) 22.618 9.008 ( -0.000 -9.238 -10.420) 13.926 15.472 ( 0.000 1.834 1.161) 2.171 15.517 ( 0.000 2.116 0.415) 2.157 15.630 ( 0.000 3.451 -0.683) 3.518 15.679 ( 0.000 3.032 -1.122) 3.233 15.716 ( 0.000 -4.935 2.750) 5.649 15.723 ( -0.000 -4.310 2.292) 4.881 15.899 ( 0.000 -6.271 -2.552) 6.770 15.911 ( -0.000 -5.892 -2.755) 6.504 16.241 ( 0.000 -5.540 1.738) 5.807 16.250 ( -0.000 -4.858 1.655) 5.132 16.372 ( -0.000 -5.762 -1.802) 6.037 16.376 ( 0.000 -5.334 -1.734) 5.609 18.926 ( 0.000 -1.234 -1.043) 1.615 18.939 ( 0.000 -0.026 -1.786) 1.786 18.998 ( 0.000 1.639 0.159) 1.646 19.025 ( 0.000 0.637 -0.402) 0.753 33.700 ( 0.000 3.674 3.403) 5.008 33.702 ( 0.000 3.929 3.405) 5.199 34.353 ( 0.000 8.376 -0.397) 8.386 34.396 ( 0.000 9.221 -1.625) 9.363 35.911 ( 0.000 -1.244 -0.753) 1.454 35.918 ( 0.000 -1.393 -1.062) 1.751 36.876 ( 0.000 3.025 1.248) 3.272 36.909 ( 0.000 3.139 0.098) 3.140 42.535 ( 0.000 6.819 4.081) 7.947 42.608 ( 0.000 6.525 2.757) 7.083 42.866 ( -0.000 4.914 6.045) 7.790 42.951 ( 0.000 9.251 0.238) 9.254 43.041 ( -0.000 9.400 -3.812) 10.144 43.046 ( 0.000 8.471 -0.385) 8.480 43.377 ( 0.000 5.917 1.690) 6.154 43.427 ( 0.000 4.785 -2.699) 5.493 43.548 ( 0.000 6.281 -2.619) 6.805 43.559 ( -0.000 5.978 -4.248) 7.334 43.795 ( 0.000 4.084 2.234) 4.656 43.859 ( 0.000 5.029 0.065) 5.030 49.773 ( 0.000 -22.190 15.333) 26.972 49.791 ( -0.000 -24.816 17.249) 30.221 50.819 ( 0.000 -7.562 -1.299) 7.673 50.978 ( 0.000 -3.164 -7.327) 7.981 51.088 ( 0.000 -19.051 1.451) 19.106 51.257 ( 0.000 -10.245 -4.358) 11.133 51.340 ( -0.000 -15.518 1.738) 15.615 51.384 ( -0.000 -12.271 0.489) 12.280 51.971 ( 0.000 -21.274 8.068) 22.752 52.017 ( -0.000 -26.214 10.830) 28.363 54.143 ( 0.000 -43.584 -12.042) 45.217 55.025 ( 0.000 -50.495 -33.449) 60.568 91.406 ( 0.000 -1.698 1.942) 2.580 91.442 ( 0.000 -2.161 3.094) 3.774 91.493 ( 0.000 -0.304 -0.518) 0.600 91.558 ( 0.000 -0.535 -0.475) 0.715 91.690 ( 0.000 -5.784 1.025) 5.874 91.773 ( 0.000 -5.576 -0.423) 5.592 91.863 ( 0.000 -3.958 0.670) 4.014 92.027 ( 0.000 -2.986 -3.101) 4.305 93.268 ( 0.000 -3.001 8.722) 9.224 93.422 ( -0.000 -7.043 9.431) 11.771 93.938 ( 0.000 -11.446 -15.675) 19.409 94.032 ( -0.000 -11.239 -11.448) 16.043 94.268 ( 0.000 8.246 1.400) 8.364 94.287 ( -0.000 10.112 0.827) 10.146 95.008 ( 0.000 4.718 9.799) 10.875 95.280 ( 0.000 3.262 -0.365) 3.283 ======================= Grid point 231 (77/128) ======================= q-point: ( 0.00 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.000 15.803 13.103) 20.529 1.763 ( 0.000 17.253 4.725) 17.889 2.108 ( 0.000 7.158 -10.500) 12.708 2.231 ( 0.000 3.223 -12.095) 12.517 2.623 ( 0.000 1.213 6.555) 6.666 2.654 ( 0.000 6.880 0.057) 6.881 2.668 ( 0.000 0.097 -1.117) 1.121 2.716 ( 0.000 6.313 -0.058) 6.313 2.954 ( 0.000 0.301 1.730) 1.756 3.095 ( 0.000 1.538 4.992) 5.224 3.150 ( 0.000 -1.898 -2.930) 3.491 3.174 ( 0.000 2.064 2.277) 3.073 3.236 ( 0.000 -2.635 -1.297) 2.937 3.317 ( 0.000 3.510 -3.698) 5.098 3.491 ( 0.000 7.284 5.369) 9.048 3.724 ( 0.000 2.446 -4.471) 5.097 4.422 ( 0.000 19.081 23.170) 30.016 5.288 ( 0.000 -0.386 -15.375) 15.380 5.712 ( 0.000 -3.332 7.658) 8.352 6.100 ( 0.000 -7.919 -9.241) 12.170 6.641 ( 0.000 0.108 4.793) 4.794 6.824 ( 0.000 3.512 -3.662) 5.074 6.839 ( 0.000 -2.061 9.979) 10.189 7.150 ( 0.000 -1.478 3.264) 3.583 7.208 ( 0.000 1.887 -3.297) 3.799 7.303 ( 0.000 -0.110 -3.924) 3.925 7.518 ( 0.000 -5.684 0.707) 5.728 7.986 ( 0.000 -1.958 -12.536) 12.688 8.017 ( 0.000 0.804 1.503) 1.704 8.059 ( 0.000 1.593 -0.009) 1.593 8.495 ( 0.000 -14.832 21.922) 26.468 9.431 ( 0.000 -15.071 -23.090) 27.574 15.425 ( 0.000 -3.732 1.978) 4.223 15.546 ( 0.000 -2.676 -1.004) 2.858 15.587 ( 0.000 -1.202 0.827) 1.459 15.652 ( 0.000 -5.893 3.241) 6.726 15.699 ( 0.000 1.061 -2.129) 2.379 15.711 ( 0.000 1.994 2.730) 3.381 15.826 ( 0.000 0.124 -3.216) 3.218 15.869 ( 0.000 -7.080 2.644) 7.558 15.874 ( 0.000 -3.057 -3.218) 4.438 15.985 ( 0.000 -7.220 -2.392) 7.606 16.403 ( 0.000 -6.339 2.158) 6.697 16.491 ( 0.000 -6.880 -1.771) 7.105 18.907 ( 0.000 -0.946 -0.212) 0.969 18.946 ( 0.000 -0.233 -1.782) 1.797 19.099 ( 0.000 -0.866 1.164) 1.450 19.116 ( 0.000 1.664 0.044) 1.665 33.795 ( 0.000 3.893 3.783) 5.428 33.807 ( 0.000 4.338 2.885) 5.210 34.533 ( 0.000 8.193 0.697) 8.222 34.658 ( 0.000 6.869 -4.539) 8.233 35.742 ( 0.000 -0.478 1.128) 1.225 35.799 ( 0.000 0.815 -1.360) 1.585 36.928 ( 0.000 3.461 2.963) 4.556 37.053 ( 0.000 4.132 -3.054) 5.138 42.546 ( 0.000 1.741 3.607) 4.005 42.660 ( 0.000 8.097 -1.253) 8.194 42.942 ( 0.000 13.109 4.830) 13.971 42.982 ( 0.000 11.801 2.022) 11.973 43.105 ( 0.000 8.349 -0.657) 8.375 43.169 ( 0.000 10.831 -3.855) 11.496 43.315 ( 0.000 6.947 0.675) 6.980 43.403 ( 0.000 5.973 -4.623) 7.553 43.707 ( 0.000 7.559 3.079) 8.161 43.856 ( 0.000 8.405 -2.823) 8.867 44.149 ( 0.000 5.779 3.346) 6.678 44.204 ( 0.000 6.727 0.855) 6.781 49.944 ( 0.000 -25.107 30.871) 39.792 50.126 ( 0.000 -2.985 3.145) 4.336 50.290 ( 0.000 -7.165 -3.528) 7.986 50.355 ( 0.000 -24.057 7.738) 25.271 50.605 ( 0.000 -14.855 7.283) 16.544 50.932 ( 0.000 -15.213 -6.791) 16.660 51.163 ( 0.000 -26.570 3.640) 26.818 51.307 ( 0.000 -12.592 -3.142) 12.978 51.336 ( 0.000 -21.710 30.391) 37.348 51.807 ( 0.000 -14.487 16.434) 21.908 52.818 ( 0.000 -51.505 -34.339) 61.902 53.148 ( 0.000 -51.918 -34.330) 62.242 91.368 ( 0.000 -0.602 1.152) 1.300 91.426 ( 0.000 -0.474 -1.425) 1.502 91.511 ( 0.000 -7.207 6.280) 9.559 91.521 ( 0.000 -1.331 0.283) 1.361 91.542 ( 0.000 -0.799 -0.399) 0.893 91.612 ( 0.000 -2.948 2.397) 3.799 91.725 ( 0.000 -4.287 -2.508) 4.966 91.765 ( 0.000 -7.541 -4.655) 8.862 92.746 ( 0.000 6.200 11.227) 12.825 93.349 ( 0.000 0.419 -17.508) 17.514 93.823 ( 0.000 3.063 8.123) 8.681 94.147 ( 0.000 0.075 -6.066) 6.067 94.260 ( 0.000 -2.612 3.493) 4.361 94.471 ( 0.000 -3.790 -6.727) 7.721 95.164 ( 0.000 -3.350 12.864) 13.293 95.517 ( 0.000 -6.027 -1.473) 6.204 ======================= Grid point 232 (78/128) ======================= q-point: ( 0.17 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 12.171 12.943 10.541) 20.658 1.783 ( 4.411 17.674 4.971) 18.882 2.232 ( 5.930 2.272 -9.664) 11.564 2.256 ( 6.443 8.414 -10.936) 15.229 2.551 ( -5.937 6.797 3.544) 9.696 2.577 ( -3.940 0.760 1.078) 4.155 2.637 ( -2.908 1.818 -1.979) 3.960 2.725 ( -0.802 2.957 -0.038) 3.064 2.970 ( 2.161 2.224 1.289) 3.358 3.079 ( -1.292 3.236 1.806) 3.925 3.126 ( -1.404 -1.578 -2.438) 3.226 3.196 ( -1.020 1.697 -0.978) 2.208 3.280 ( 6.355 0.271 3.650) 7.333 3.416 ( 5.842 2.899 0.415) 6.535 3.550 ( 5.386 4.571 2.477) 7.486 3.718 ( 0.180 2.106 -2.932) 3.614 4.472 ( 5.060 16.739 22.735) 28.682 5.301 ( 0.942 -1.384 -13.838) 13.938 5.609 ( -9.659 -1.711 8.181) 12.773 6.033 ( -6.850 -7.689 -10.074) 14.406 6.569 ( -3.807 0.765 4.006) 5.579 6.723 ( -5.284 4.998 -1.912) 7.521 6.908 ( 1.176 -1.199 4.978) 5.254 7.157 ( 0.776 -0.626 1.852) 2.104 7.218 ( 0.494 -0.716 -0.852) 1.218 7.372 ( 5.691 4.029 0.577) 6.997 7.574 ( 4.295 -8.803 -1.095) 9.856 7.974 ( -0.647 0.143 -8.218) 8.245 8.024 ( 0.075 1.062 0.978) 1.446 8.114 ( 5.957 -4.659 -3.495) 8.331 8.456 ( -3.223 -12.378 19.237) 23.101 9.317 ( -10.719 -14.320 -21.228) 27.760 15.440 ( 1.390 -3.429 2.010) 4.210 15.562 ( 1.212 -1.645 0.018) 2.043 15.589 ( 0.212 -1.555 -0.492) 1.645 15.636 ( -1.185 -4.100 2.320) 4.858 15.669 ( -1.448 -1.635 1.353) 2.569 15.741 ( 1.494 1.559 0.054) 2.160 15.801 ( -1.672 0.106 -2.063) 2.658 15.857 ( -1.008 -5.797 -2.816) 6.523 15.923 ( 3.823 -4.491 1.459) 6.076 16.024 ( 3.607 -6.720 -2.377) 7.989 16.367 ( -3.464 -6.250 2.162) 7.466 16.457 ( -3.322 -6.829 -1.826) 7.810 18.906 ( -0.118 -0.941 -0.232) 0.976 18.945 ( -0.066 -0.091 -1.851) 1.855 19.080 ( -1.713 -0.399 1.098) 2.073 19.096 ( -1.800 1.632 0.041) 2.430 33.792 ( -0.348 3.977 3.680) 5.429 33.802 ( -0.448 4.474 2.920) 5.361 34.530 ( -0.282 8.245 0.481) 8.264 34.634 ( -2.046 7.458 -3.647) 8.551 35.784 ( 3.634 -1.023 0.482) 3.806 35.823 ( 2.168 0.485 -1.124) 2.490 36.930 ( 0.209 3.592 2.627) 4.455 37.037 ( -1.433 4.146 -2.482) 5.040 42.604 ( 4.836 3.235 3.093) 6.589 42.696 ( 2.919 7.874 -0.370) 8.405 42.925 ( -0.543 10.884 5.471) 12.193 43.026 ( 3.612 12.995 1.118) 13.534 43.138 ( 2.684 8.249 -1.203) 8.757 43.188 ( 2.114 10.784 -3.945) 11.676 43.358 ( 4.265 6.963 0.328) 8.172 43.421 ( 1.851 6.123 -3.997) 7.543 43.680 ( -2.582 7.461 3.182) 8.513 43.833 ( -2.228 8.015 -2.707) 8.749 44.105 ( -4.013 5.766 2.714) 7.531 44.144 ( -5.720 6.676 0.808) 8.829 49.663 ( -18.125 -25.345 22.073) 38.185 49.901 ( -24.083 -19.010 7.781) 31.653 50.350 ( 9.796 -4.242 5.763) 12.132 50.499 ( 11.924 -7.784 0.423) 14.246 50.677 ( 3.959 -17.998 4.616) 18.998 50.955 ( 2.204 -15.434 -6.014) 16.711 51.035 ( -5.379 -22.896 7.880) 24.804 51.224 ( -2.797 -14.375 -2.414) 14.843 51.635 ( 10.753 -24.908 13.908) 30.487 51.730 ( -5.928 -12.469 10.758) 17.503 52.960 ( 10.052 -52.117 -22.857) 57.789 53.296 ( 15.785 -55.402 -29.378) 64.665 91.371 ( 0.227 -0.777 1.254) 1.492 91.431 ( -0.026 -0.996 -0.606) 1.166 91.460 ( -1.539 -2.918 2.971) 4.440 91.542 ( 0.454 -1.236 -0.273) 1.345 91.595 ( 1.555 -3.960 0.658) 4.305 91.600 ( 0.930 -4.239 1.590) 4.622 91.731 ( 1.223 -4.839 -1.711) 5.276 91.830 ( 4.810 -6.362 -3.871) 8.865 92.811 ( 6.706 4.837 11.357) 14.048 93.404 ( 5.297 -0.190 -16.637) 17.461 93.764 ( -5.714 0.628 7.797) 9.688 94.118 ( -3.103 -1.583 -7.527) 8.294 94.287 ( 2.454 -0.199 3.099) 3.958 94.459 ( -0.906 -1.973 -5.270) 5.699 95.134 ( -2.811 -2.991 12.322) 12.988 95.454 ( -5.733 -5.330 -0.509) 7.844 ======================= Grid point 233 (79/128) ======================= q-point: ( 0.33 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 4.087 15.086 5.465) 16.558 2.041 ( 11.496 10.880 6.899) 17.266 2.225 ( -3.415 4.873 -0.468) 5.969 2.419 ( 3.227 8.842 -8.665) 12.793 2.463 ( -1.226 7.629 -2.296) 8.061 2.536 ( -2.272 3.030 0.017) 3.788 2.639 ( 4.922 -2.056 -2.391) 5.845 2.710 ( 1.460 1.373 -6.799) 7.089 3.016 ( 1.168 1.100 -0.604) 1.715 3.043 ( -0.886 3.301 -1.444) 3.710 3.134 ( 1.815 2.494 1.425) 3.398 3.187 ( -0.124 2.944 -0.507) 2.990 3.339 ( 0.625 3.219 3.900) 5.095 3.490 ( -1.906 2.348 -2.618) 4.000 3.648 ( 6.088 1.851 5.567) 8.454 3.781 ( 4.810 0.075 0.507) 4.837 4.625 ( 10.403 11.387 21.378) 26.361 5.221 ( -13.239 -2.694 5.486) 14.582 5.459 ( 0.002 3.501 -5.090) 6.178 5.855 ( -9.436 -6.616 -11.538) 16.307 6.543 ( 0.794 1.805 1.014) 2.217 6.647 ( -2.335 5.546 -2.932) 6.694 6.899 ( -0.278 0.769 0.519) 0.969 7.078 ( -6.611 0.358 -5.771) 8.783 7.323 ( 6.973 -3.420 10.694) 13.217 7.460 ( 2.540 4.857 4.764) 7.262 7.632 ( 0.949 -9.664 -0.170) 9.712 7.966 ( -0.216 1.575 -6.000) 6.207 8.020 ( -0.393 1.181 2.287) 2.604 8.265 ( 5.739 -15.484 0.255) 16.515 8.428 ( 3.903 -5.486 3.793) 7.728 9.045 ( -15.311 -12.780 -16.720) 26.025 15.474 ( 1.816 -2.398 1.870) 3.542 15.569 ( -1.052 -1.102 0.361) 1.565 15.589 ( 0.316 -0.626 1.623) 1.768 15.635 ( -0.643 -4.531 2.018) 5.001 15.653 ( 1.490 -2.831 -0.531) 3.243 15.762 ( -0.558 0.629 -2.158) 2.316 15.772 ( -0.035 -0.937 -0.675) 1.156 15.831 ( -1.407 -4.138 -2.592) 5.081 16.016 ( 5.394 -5.440 1.885) 7.889 16.115 ( 5.057 -6.516 -2.318) 8.568 16.275 ( -5.272 -6.024 2.134) 8.285 16.366 ( -5.441 -6.682 -1.924) 8.829 18.904 ( -0.075 -0.962 -0.301) 1.011 18.944 ( -0.100 0.251 -1.978) 1.996 19.045 ( -1.439 0.357 0.892) 1.731 19.057 ( -1.795 1.471 0.061) 2.321 33.784 ( -0.313 4.225 3.417) 5.443 33.792 ( -0.393 4.590 3.030) 5.514 34.525 ( -0.191 8.348 0.023) 8.350 34.593 ( -1.674 8.217 -2.289) 8.693 35.857 ( 3.010 -1.429 -0.265) 3.342 35.869 ( 2.076 -0.296 -0.737) 2.223 36.938 ( 0.644 3.909 1.717) 4.318 37.003 ( -1.789 4.069 -1.201) 4.605 42.687 ( 2.590 8.025 2.543) 8.808 42.746 ( 1.639 7.994 1.181) 8.246 42.941 ( 2.160 7.615 6.223) 10.069 43.123 ( 5.549 12.978 0.002) 14.114 43.169 ( 0.659 9.607 -0.654) 9.651 43.251 ( 2.748 9.380 -5.050) 11.002 43.465 ( 4.293 6.844 -0.313) 8.085 43.481 ( 4.993 6.786 -1.680) 8.591 43.623 ( -1.868 6.496 1.842) 7.006 43.774 ( -3.568 7.247 -2.726) 8.525 43.998 ( -8.003 6.463 1.037) 10.339 44.015 ( -4.318 5.530 1.334) 7.142 49.347 ( -11.586 -27.243 15.821) 33.567 49.475 ( -16.450 -22.611 7.485) 28.946 50.539 ( 8.844 -6.569 4.412) 11.867 50.734 ( 1.243 -17.287 3.893) 17.763 50.759 ( 12.080 -5.551 -4.536) 14.046 50.978 ( -0.155 -19.713 5.792) 20.547 51.012 ( 2.717 -14.818 -6.802) 16.529 51.160 ( -3.549 -14.689 -3.176) 15.442 51.576 ( -5.703 -16.871 9.530) 20.199 51.710 ( -4.241 -20.065 1.099) 20.537 53.134 ( 7.069 -50.746 -8.002) 51.857 53.669 ( 16.823 -62.429 -21.654) 68.186 91.374 ( 0.075 -1.173 1.523) 1.924 91.413 ( -0.949 -1.942 2.716) 3.471 91.465 ( 1.017 -1.304 -1.132) 2.004 91.538 ( -0.865 -2.076 -1.368) 2.632 91.593 ( 0.492 -3.414 1.013) 3.595 91.653 ( 2.036 -4.492 -0.294) 4.941 91.762 ( 1.431 -4.590 -0.008) 4.808 91.914 ( 2.973 -5.624 -3.888) 7.456 93.010 ( 12.732 1.615 10.870) 16.819 93.502 ( -1.912 0.239 -2.164) 2.898 93.651 ( 0.623 -4.810 -5.051) 7.003 94.012 ( -7.650 -4.759 -11.093) 14.290 94.347 ( 3.173 3.150 2.391) 5.070 94.444 ( -0.566 2.224 -2.066) 3.088 95.070 ( -3.059 -2.214 11.167) 11.788 95.326 ( -5.951 -4.551 1.359) 7.614 ======================= Grid point 234 (80/128) ======================= q-point: (-0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.000 14.166 5.138) 15.069 2.157 ( 0.000 8.261 3.236) 8.872 2.160 ( 0.000 6.884 6.466) 9.444 2.431 ( 0.000 7.922 -7.387) 10.832 2.485 ( 0.000 8.748 -3.828) 9.549 2.514 ( -0.000 5.963 2.969) 6.661 2.647 ( 0.000 -3.962 -10.060) 10.812 2.794 ( 0.000 1.104 -6.573) 6.666 3.006 ( 0.000 1.039 -1.255) 1.629 3.057 ( 0.000 2.733 -1.981) 3.375 3.175 ( 0.000 4.871 0.391) 4.887 3.176 ( -0.000 2.123 0.741) 2.248 3.357 ( -0.000 3.804 1.707) 4.170 3.418 ( 0.000 2.830 -0.820) 2.946 3.732 ( 0.000 -0.725 6.163) 6.206 3.833 ( 0.000 0.392 1.812) 1.854 4.861 ( 0.000 4.190 19.305) 19.755 4.929 ( 0.000 5.256 14.910) 15.810 5.500 ( 0.000 3.604 -8.030) 8.801 5.733 ( -0.000 -6.977 -14.006) 15.648 6.562 ( 0.000 3.264 -1.020) 3.419 6.623 ( 0.000 4.583 -2.729) 5.334 6.924 ( 0.000 0.233 -1.967) 1.981 6.970 ( -0.000 0.807 -5.507) 5.566 7.417 ( 0.000 0.049 15.133) 15.133 7.472 ( -0.000 -0.742 4.581) 4.641 7.633 ( 0.000 -8.438 0.676) 8.465 7.964 ( 0.000 2.173 -5.526) 5.938 8.015 ( 0.000 1.114 2.746) 2.963 8.293 ( 0.000 -13.199 9.182) 16.078 8.579 ( 0.000 -10.019 -15.531) 18.483 8.808 ( -0.000 -10.590 -10.029) 14.586 15.498 ( 0.000 -1.148 1.385) 1.799 15.550 ( 0.000 -1.386 1.072) 1.752 15.601 ( 0.000 -2.870 1.511) 3.244 15.614 ( -0.000 -2.683 3.015) 4.036 15.688 ( 0.000 -1.058 -0.788) 1.320 15.737 ( 0.000 -3.620 -3.784) 5.237 15.785 ( 0.000 -0.872 -0.469) 0.990 15.812 ( -0.000 -1.913 -2.160) 2.886 16.118 ( 0.000 -6.635 1.640) 6.834 16.144 ( -0.000 -5.642 1.285) 5.787 16.247 ( -0.000 -6.449 -1.581) 6.640 16.259 ( 0.000 -6.240 -1.495) 6.417 18.903 ( 0.000 -1.004 -0.364) 1.068 18.942 ( 0.000 0.470 -1.989) 2.044 19.032 ( 0.000 0.049 0.642) 0.644 19.035 ( 0.000 1.959 0.175) 1.967 33.781 ( 0.000 4.382 3.246) 5.453 33.788 ( -0.000 4.583 3.119) 5.544 34.523 ( 0.000 8.398 -0.252) 8.402 34.575 ( 0.000 8.459 -1.707) 8.629 35.889 ( 0.000 -0.936 -0.457) 1.042 35.892 ( 0.000 -1.184 -0.581) 1.319 36.950 ( 0.000 4.275 0.797) 4.349 36.979 ( -0.000 3.803 -0.139) 3.806 42.709 ( 0.000 10.169 2.655) 10.510 42.761 ( 0.000 8.648 1.620) 8.799 42.976 ( -0.000 6.241 6.018) 8.670 43.156 ( 0.000 11.066 1.636) 11.187 43.232 ( -0.000 10.108 -3.084) 10.568 43.252 ( 0.000 11.584 -3.457) 12.089 43.516 ( 0.000 7.907 2.721) 8.362 43.520 ( -0.000 4.674 -0.553) 4.706 43.681 ( 0.000 6.932 -2.543) 7.384 43.686 ( -0.000 6.590 -4.297) 7.867 43.892 ( 0.000 5.572 2.704) 6.193 43.966 ( 0.000 5.671 0.239) 5.676 49.239 ( 0.000 -27.896 11.219) 30.068 49.294 ( -0.000 -24.324 8.065) 25.627 50.659 ( 0.000 -8.790 3.304) 9.390 50.717 ( -0.000 -17.721 5.341) 18.509 50.908 ( 0.000 -4.306 -6.894) 8.129 50.998 ( 0.000 -17.793 2.110) 17.918 51.036 ( 0.000 -12.512 -6.453) 14.078 51.105 ( -0.000 -15.258 -0.838) 15.281 51.559 ( 0.000 -20.664 3.763) 21.004 51.591 ( -0.000 -17.236 2.034) 17.356 53.211 ( 0.000 -50.044 -2.211) 50.093 53.849 ( 0.000 -64.926 -19.493) 67.789 91.375 ( 0.000 -1.431 1.723) 2.240 91.403 ( 0.000 -1.699 2.764) 3.245 91.479 ( 0.000 -1.048 -1.791) 2.075 91.524 ( 0.000 -2.964 -1.510) 3.326 91.601 ( 0.000 -2.853 0.991) 3.020 91.674 ( 0.000 -4.333 -0.711) 4.391 91.778 ( 0.000 -4.426 0.478) 4.452 91.943 ( 0.000 -5.180 -3.765) 6.404 93.263 ( 0.000 2.041 8.898) 9.130 93.316 ( -0.000 -3.646 10.255) 10.884 93.793 ( 0.000 -3.716 -15.019) 15.471 93.846 ( -0.000 -7.650 -12.863) 14.966 94.388 ( 0.000 3.927 1.724) 4.289 94.435 ( -0.000 4.919 -0.304) 4.928 95.035 ( 0.000 -1.761 10.542) 10.688 95.260 ( 0.000 -4.593 2.289) 5.132 ======================= Grid point 238 (81/128) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.000 15.732 10.091) 18.690 2.079 ( 0.000 12.909 0.226) 12.911 2.253 ( 0.000 7.110 -5.231) 8.827 2.320 ( 0.000 6.401 -8.650) 10.761 2.626 ( 0.000 -1.215 3.523) 3.726 2.685 ( 0.000 2.224 -2.556) 3.388 2.756 ( 0.000 3.502 -1.080) 3.665 2.852 ( 0.000 7.083 -4.475) 8.378 2.973 ( 0.000 1.879 0.187) 1.889 3.064 ( 0.000 -4.909 -0.753) 4.967 3.127 ( 0.000 1.342 6.119) 6.264 3.226 ( 0.000 1.614 0.342) 1.650 3.230 ( 0.000 2.168 0.378) 2.201 3.358 ( 0.000 0.521 -3.569) 3.606 3.639 ( 0.000 7.003 4.798) 8.489 3.786 ( 0.000 4.323 -2.063) 4.789 4.699 ( 0.000 6.274 18.338) 19.382 5.303 ( 0.000 3.336 -8.993) 9.592 5.613 ( 0.000 -6.801 5.803) 8.941 5.944 ( 0.000 -7.127 -8.765) 11.297 6.631 ( 0.000 -0.911 7.140) 7.198 6.800 ( 0.000 -2.069 7.668) 7.942 6.894 ( 0.000 3.134 -5.011) 5.910 7.102 ( 0.000 -9.175 -6.536) 11.265 7.136 ( 0.000 0.051 3.366) 3.366 7.294 ( 0.000 -0.932 -3.803) 3.916 7.549 ( 0.000 5.860 5.988) 8.378 7.857 ( 0.000 -9.096 -1.027) 9.153 8.045 ( 0.000 1.992 1.571) 2.537 8.107 ( 0.000 3.294 -1.068) 3.463 8.308 ( 0.000 -4.629 10.951) 11.889 9.132 ( 0.000 -15.159 -23.406) 27.886 15.306 ( 0.000 -6.937 2.328) 7.317 15.428 ( 0.000 -7.333 -2.891) 7.883 15.507 ( 0.000 -7.458 3.537) 8.254 15.626 ( 0.000 2.764 2.736) 3.889 15.678 ( 0.000 -7.141 -3.864) 8.119 15.709 ( 0.000 -4.183 1.034) 4.309 15.771 ( 0.000 -0.690 -1.143) 1.335 15.805 ( 0.000 3.588 2.772) 4.534 15.853 ( 0.000 -4.463 -2.080) 4.924 15.936 ( 0.000 4.090 -2.922) 5.026 16.276 ( 0.000 -6.255 1.960) 6.555 16.351 ( 0.000 -7.004 -1.379) 7.138 18.894 ( 0.000 -0.396 0.266) 0.477 18.947 ( 0.000 0.347 -1.806) 1.839 19.077 ( 0.000 -1.254 2.375) 2.686 19.151 ( 0.000 1.706 -1.254) 2.117 33.870 ( 0.000 3.595 3.726) 5.178 33.893 ( 0.000 4.180 2.532) 4.887 34.679 ( 0.000 6.369 0.538) 6.391 34.767 ( 0.000 4.323 -2.817) 5.160 35.732 ( 0.000 -0.440 1.728) 1.783 35.816 ( 0.000 0.880 -1.903) 2.097 37.005 ( 0.000 4.169 2.920) 5.090 37.136 ( 0.000 4.185 -3.058) 5.183 42.552 ( 0.000 -0.588 6.900) 6.925 42.830 ( 0.000 8.115 -5.354) 9.722 43.219 ( 0.000 11.581 1.842) 11.727 43.229 ( 0.000 15.510 2.563) 15.721 43.311 ( 0.000 12.571 -0.576) 12.584 43.387 ( 0.000 10.961 -3.571) 11.528 43.455 ( 0.000 7.037 0.827) 7.085 43.527 ( 0.000 6.516 -3.480) 7.387 43.873 ( 0.000 8.745 5.409) 10.283 44.020 ( 0.000 8.006 -1.569) 8.158 44.242 ( 0.000 3.858 4.795) 6.154 44.354 ( 0.000 7.747 -1.167) 7.834 49.406 ( 0.000 -26.158 20.012) 32.936 49.845 ( 0.000 -31.344 0.279) 31.345 50.062 ( 0.000 -3.976 0.958) 4.090 50.129 ( 0.000 -9.155 -1.987) 9.368 50.280 ( 0.000 -17.256 6.745) 18.527 50.603 ( 0.000 -17.609 -5.345) 18.402 50.641 ( 0.000 -22.836 9.725) 24.821 50.944 ( 0.000 -17.183 17.574) 24.578 51.100 ( 0.000 -8.925 -6.027) 10.769 51.570 ( 0.000 -10.369 5.765) 11.864 51.831 ( 0.000 -46.404 -20.427) 50.701 52.269 ( 0.000 -36.203 -23.280) 43.042 91.358 ( 0.000 -0.464 0.907) 1.019 91.409 ( 0.000 -3.424 3.620) 4.983 91.413 ( 0.000 -0.822 -1.328) 1.562 91.486 ( 0.000 -2.126 0.609) 2.211 91.524 ( 0.000 -1.083 -0.986) 1.465 91.572 ( 0.000 -1.138 1.274) 1.708 91.633 ( 0.000 -5.707 -5.781) 8.123 91.644 ( 0.000 -3.657 -1.939) 4.139 92.886 ( 0.000 7.599 9.447) 12.124 93.377 ( 0.000 1.928 -13.821) 13.955 93.869 ( 0.000 1.603 7.104) 7.283 94.141 ( 0.000 -0.611 -4.836) 4.874 94.223 ( 0.000 -1.163 2.962) 3.182 94.398 ( 0.000 -3.333 -5.374) 6.324 95.045 ( 0.000 -8.049 12.349) 14.741 95.352 ( 0.000 -9.939 -0.957) 9.985 ======================= Grid point 239 (82/128) ======================= q-point: ( 0.17 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 8.385 12.857 7.492) 17.080 2.116 ( 4.427 14.102 1.896) 14.902 2.272 ( 1.531 3.502 -7.042) 8.013 2.438 ( 10.485 8.297 -6.778) 14.991 2.569 ( -3.576 -0.866 1.456) 3.957 2.643 ( -3.253 3.264 -2.470) 5.228 2.716 ( -4.131 4.370 -2.083) 6.364 2.807 ( -2.966 6.272 -2.665) 7.432 3.014 ( 2.424 1.777 -0.856) 3.125 3.082 ( 1.290 -1.271 -1.473) 2.334 3.146 ( 1.404 2.449 4.971) 5.716 3.225 ( 0.305 1.529 0.100) 1.562 3.281 ( 5.304 -0.004 3.123) 6.155 3.453 ( 7.034 0.584 -2.180) 7.387 3.663 ( 2.719 5.893 3.752) 7.497 3.769 ( -1.804 3.873 -1.182) 4.433 4.709 ( 1.278 4.934 18.154) 18.856 5.298 ( -1.319 2.103 -7.968) 8.346 5.541 ( -5.871 -5.834 6.049) 10.252 5.893 ( -5.094 -5.484 -9.189) 11.852 6.572 ( -3.136 -0.289 6.852) 7.541 6.814 ( -4.279 3.649 -4.138) 6.982 6.873 ( 3.943 -2.230 6.348) 7.799 7.113 ( 1.143 -2.903 1.438) 3.436 7.202 ( -1.280 -1.779 -4.124) 4.671 7.330 ( 7.878 -6.190 -4.426) 10.953 7.550 ( -0.235 4.676 6.817) 8.270 7.864 ( 0.922 -8.675 -0.958) 8.776 8.050 ( 0.491 1.925 1.452) 2.461 8.105 ( -0.252 2.932 -0.694) 3.023 8.305 ( 0.089 -3.938 8.083) 8.992 9.033 ( -9.388 -14.389 -21.528) 27.543 15.322 ( 1.578 -6.930 2.450) 7.517 15.451 ( 2.170 -7.274 -3.057) 8.183 15.496 ( -1.072 -7.377 3.460) 8.218 15.622 ( -0.308 1.697 1.781) 2.480 15.666 ( -1.125 -4.533 -2.570) 5.331 15.722 ( 0.053 -1.200 -1.068) 1.608 15.739 ( -0.364 -3.652 1.959) 4.160 15.830 ( 0.630 2.585 -0.070) 2.661 15.880 ( 2.797 -3.379 -0.908) 4.479 15.954 ( 1.764 2.035 -2.439) 3.633 16.243 ( -3.159 -6.023 1.936) 7.071 16.318 ( -3.145 -6.881 -1.411) 7.696 18.893 ( -0.103 -0.376 0.315) 0.501 18.950 ( 0.235 0.520 -1.934) 2.017 19.063 ( -1.277 -1.113 2.273) 2.835 19.132 ( -1.756 1.739 -1.141) 2.722 33.869 ( -0.135 3.709 3.610) 5.178 33.889 ( -0.362 4.204 2.582) 4.947 34.677 ( -0.172 6.434 0.382) 6.447 34.754 ( -1.141 4.809 -2.445) 5.514 35.767 ( 3.072 -0.701 1.290) 3.405 35.834 ( 1.632 0.636 -1.621) 2.386 37.008 ( 0.353 4.200 2.548) 4.925 37.121 ( -1.416 4.210 -2.565) 5.129 42.630 ( 7.138 0.032 6.049) 9.357 42.868 ( 3.238 8.377 -4.236) 9.930 43.170 ( -2.321 13.341 3.186) 13.911 43.279 ( 2.652 11.733 -0.273) 12.032 43.342 ( 2.752 13.016 0.063) 13.304 43.406 ( 2.042 10.867 -3.351) 11.553 43.497 ( 4.063 6.881 0.398) 8.001 43.547 ( 1.920 6.691 -2.628) 7.441 43.845 ( -2.711 8.767 5.038) 10.469 43.988 ( -3.123 7.488 -1.430) 8.238 44.201 ( -3.812 4.070 3.974) 6.848 44.291 ( -6.061 7.484 -1.078) 9.690 49.181 ( -16.735 -21.813 14.642) 31.149 49.488 ( -24.245 -23.569 0.751) 33.821 50.252 ( 9.486 -6.635 4.881) 12.563 50.298 ( 10.206 -14.079 0.361) 17.393 50.318 ( 7.087 -16.318 2.587) 17.978 50.601 ( -0.055 -18.399 7.343) 19.810 50.646 ( 1.609 -16.720 -4.246) 17.326 50.932 ( -1.757 -15.203 0.835) 15.327 51.215 ( 6.382 -16.920 7.488) 19.572 51.511 ( -4.402 -10.466 1.239) 11.421 51.960 ( 10.145 -47.175 -12.654) 49.885 52.312 ( 5.296 -42.085 -20.444) 47.086 91.357 ( -0.104 -0.668 0.978) 1.189 91.393 ( -1.023 -2.277 2.810) 3.759 91.420 ( 0.604 -1.157 -1.357) 1.883 91.508 ( 1.461 -2.134 0.465) 2.628 91.532 ( -1.847 -2.687 -1.213) 3.479 91.544 ( 1.501 -1.678 -0.575) 2.324 91.646 ( 1.605 -3.547 -1.366) 4.126 91.718 ( 4.874 -4.888 -3.772) 7.866 92.930 ( 4.610 6.754 9.540) 12.565 93.419 ( 4.273 1.344 -13.566) 14.287 93.775 ( -8.374 0.550 7.102) 10.994 94.083 ( -5.322 -1.751 -6.677) 8.716 94.287 ( 5.023 0.089 2.560) 5.638 94.419 ( 1.905 -2.010 -3.495) 4.459 95.022 ( -2.113 -7.677 11.835) 14.264 95.303 ( -4.610 -9.286 -0.246) 10.370 ======================= Grid point 240 (83/128) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 3.977 11.647 0.456) 12.316 2.251 ( 5.079 10.092 6.544) 13.057 2.290 ( 0.020 1.904 -3.365) 3.867 2.534 ( -1.066 -0.423 -4.721) 4.859 2.584 ( 2.166 4.070 0.646) 4.655 2.627 ( 0.164 9.408 -7.187) 11.841 2.694 ( 4.837 7.612 -1.671) 9.172 2.755 ( -0.124 3.650 -6.022) 7.043 3.040 ( 0.165 1.202 -0.958) 1.546 3.101 ( 0.683 2.443 -2.073) 3.276 3.192 ( 3.124 3.592 3.568) 5.950 3.238 ( 0.855 2.207 0.347) 2.392 3.388 ( 4.227 1.268 5.262) 6.868 3.549 ( 1.050 3.546 -0.299) 3.710 3.712 ( -1.127 4.358 2.768) 5.285 3.765 ( 4.764 -1.141 0.675) 4.945 4.766 ( 4.804 1.669 16.751) 17.506 5.181 ( -10.536 -1.013 4.363) 11.449 5.486 ( 1.726 -3.698 -2.927) 5.022 5.757 ( -7.743 -0.688 -8.412) 11.454 6.555 ( 1.328 -0.509 4.459) 4.681 6.742 ( -3.004 3.448 -3.298) 5.638 6.921 ( 1.132 1.296 1.577) 2.335 7.081 ( -5.931 -0.132 -5.307) 7.960 7.202 ( 4.429 -6.795 8.659) 11.865 7.463 ( 0.840 -5.979 1.145) 6.146 7.570 ( 4.357 3.950 2.169) 6.268 7.897 ( 2.106 -9.270 -2.654) 9.870 8.061 ( 0.416 2.233 0.920) 2.451 8.099 ( -0.193 0.975 0.476) 1.102 8.336 ( 3.605 -3.847 0.470) 5.294 8.795 ( -13.184 -12.386 -16.249) 24.316 15.363 ( 2.276 -6.924 2.681) 7.765 15.466 ( -1.749 -6.940 3.244) 7.858 15.506 ( 2.843 -7.282 -3.361) 8.509 15.613 ( -0.744 -3.161 -1.570) 3.607 15.644 ( -0.693 1.252 0.807) 1.643 15.692 ( -1.733 -0.348 -0.380) 1.808 15.777 ( 2.344 -2.518 0.939) 3.566 15.835 ( 0.116 1.988 -0.956) 2.209 15.942 ( 3.194 -2.187 0.212) 3.876 16.006 ( 3.166 -3.331 -1.941) 4.989 16.163 ( -4.277 -4.984 1.766) 6.801 16.235 ( -4.924 -6.320 -1.438) 8.140 18.891 ( -0.085 -0.340 0.422) 0.549 18.956 ( 0.306 0.959 -2.209) 2.427 19.036 ( -1.104 -0.851 1.950) 2.397 19.092 ( -1.905 1.643 -0.799) 2.639 33.867 ( -0.058 3.956 3.323) 5.167 33.881 ( -0.403 4.205 2.734) 5.032 34.674 ( -0.106 6.538 0.037) 6.539 34.731 ( -1.043 5.622 -1.772) 5.986 35.834 ( 3.067 -0.885 0.471) 3.226 35.867 ( 1.328 0.064 -0.983) 1.654 37.021 ( 0.895 4.292 1.547) 4.649 37.086 ( -1.917 4.208 -1.357) 4.819 42.795 ( 8.084 2.998 3.972) 9.493 42.926 ( 1.795 9.212 -1.407) 9.491 43.136 ( -0.965 11.878 3.907) 12.541 43.338 ( 3.027 8.146 -3.713) 9.450 43.398 ( 2.325 13.774 1.342) 14.033 43.455 ( 2.352 10.808 -1.982) 11.237 43.581 ( 3.089 5.529 -0.760) 6.379 43.629 ( 6.888 7.547 -0.336) 10.223 43.777 ( -3.506 8.773 2.695) 9.824 43.908 ( -4.357 6.239 -1.510) 7.758 44.109 ( -5.526 4.733 2.102) 7.573 44.140 ( -7.331 6.677 -0.186) 9.918 48.886 ( -10.950 -18.554 8.567) 23.185 49.055 ( -16.998 -19.374 1.498) 25.817 50.333 ( 2.573 -16.547 7.603) 18.391 50.435 ( 2.332 -12.956 5.264) 14.177 50.541 ( 9.917 -14.369 -0.060) 17.459 50.679 ( 4.473 -18.253 -5.358) 19.542 50.713 ( 8.964 -6.995 -1.126) 11.426 50.875 ( -3.886 -13.916 -4.001) 14.993 51.227 ( -3.666 -17.232 7.152) 19.015 51.409 ( -6.613 -11.623 -1.631) 13.471 52.144 ( 7.220 -47.835 -4.080) 48.549 52.479 ( 9.209 -55.375 -13.374) 57.707 91.353 ( -0.296 -1.066 1.192) 1.626 91.379 ( -0.409 -1.394 2.212) 2.647 91.436 ( 0.954 -1.465 -1.809) 2.516 91.489 ( -1.661 -2.357 -2.075) 3.553 91.546 ( 1.440 -1.970 0.690) 2.536 91.582 ( 1.738 -2.701 -0.563) 3.261 91.681 ( 1.578 -3.461 -0.339) 3.819 91.803 ( 3.120 -5.374 -3.930) 7.352 93.074 ( 9.649 4.311 9.379) 14.130 93.524 ( -0.064 1.810 -3.803) 4.212 93.588 ( -3.714 -1.911 -1.546) 4.454 93.939 ( -8.867 -2.627 -9.793) 13.470 94.385 ( 4.189 0.860 2.188) 4.803 94.464 ( 2.341 0.125 -1.202) 2.635 94.975 ( -2.105 -6.757 10.464) 12.632 95.193 ( -5.491 -8.250 1.538) 10.029 ======================= Grid point 241 (84/128) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 11.188 -2.323) 11.427 2.272 ( 0.000 3.803 1.156) 3.975 2.292 ( 0.000 7.057 6.120) 9.341 2.512 ( 0.000 -2.412 -6.250) 6.699 2.641 ( -0.000 4.611 -3.260) 5.647 2.659 ( 0.000 10.148 -2.094) 10.362 2.660 ( -0.000 8.705 -4.644) 9.866 2.825 ( 0.000 1.984 -4.950) 5.333 3.037 ( 0.000 1.654 -0.962) 1.914 3.108 ( 0.000 2.418 -2.499) 3.477 3.235 ( 0.000 4.051 1.365) 4.275 3.249 ( 0.000 2.707 0.790) 2.820 3.458 ( -0.000 6.091 3.153) 6.859 3.501 ( 0.000 5.334 1.714) 5.602 3.711 ( 0.000 -1.227 5.378) 5.516 3.826 ( 0.000 -0.893 0.289) 0.939 4.872 ( 0.000 -2.444 12.304) 12.545 5.001 ( -0.000 1.321 13.915) 13.978 5.546 ( 0.000 -11.155 -8.955) 14.305 5.640 ( -0.000 8.775 -5.676) 10.451 6.585 ( -0.000 -0.948 1.480) 1.758 6.702 ( 0.000 2.997 -0.975) 3.151 6.945 ( 0.000 1.837 -1.744) 2.533 6.991 ( 0.000 1.399 -4.592) 4.801 7.268 ( 0.000 -9.810 12.791) 16.120 7.442 ( 0.000 -1.883 4.000) 4.421 7.632 ( 0.000 3.900 -0.385) 3.919 7.924 ( 0.000 -10.021 -4.182) 10.858 8.064 ( 0.000 3.263 0.351) 3.282 8.099 ( 0.000 -1.411 1.530) 2.081 8.422 ( 0.000 -6.323 -8.573) 10.652 8.603 ( 0.000 -9.976 -9.063) 13.478 15.397 ( 0.000 -6.949 2.667) 7.444 15.438 ( -0.000 -6.890 3.412) 7.689 15.543 ( 0.000 -6.191 -3.659) 7.192 15.598 ( -0.000 -7.440 -3.413) 8.186 15.641 ( 0.000 3.163 1.656) 3.571 15.668 ( 0.000 1.359 0.860) 1.608 15.805 ( 0.000 -0.014 0.080) 0.082 15.836 ( 0.000 1.776 -0.831) 1.961 15.996 ( 0.000 -4.933 0.756) 4.991 16.032 ( -0.000 -5.538 -0.120) 5.539 16.141 ( -3.152 -4.857 -0.700) 5.832 16.141 ( 3.152 -4.158 -0.741) 5.270 18.890 ( 0.000 -0.323 0.479) 0.578 18.959 ( 0.000 1.220 -2.261) 2.569 19.026 ( 0.000 -0.690 1.516) 1.666 19.070 ( 0.000 1.483 -0.448) 1.549 33.866 ( 0.000 4.122 3.097) 5.156 33.876 ( -0.000 4.151 2.892) 5.059 34.673 ( 0.000 6.569 -0.172) 6.571 34.719 ( 0.000 5.977 -1.435) 6.147 35.874 ( -0.000 -0.621 -0.264) 0.675 35.875 ( 0.000 -0.477 -0.292) 0.560 37.039 ( 0.000 4.575 0.405) 4.593 37.056 ( -0.000 3.959 -0.127) 3.961 42.896 ( 0.000 7.532 1.727) 7.728 42.933 ( 0.000 8.160 0.680) 8.188 43.130 ( -0.000 9.982 4.446) 10.927 43.364 ( 0.000 9.122 -1.638) 9.267 43.430 ( 0.000 9.497 -0.295) 9.502 43.484 ( 0.000 11.492 -2.032) 11.671 43.629 ( 0.000 7.303 0.980) 7.368 43.684 ( -0.000 8.946 2.655) 9.331 43.809 ( 0.000 5.522 -4.143) 6.903 43.815 ( -0.000 6.471 -2.174) 6.827 44.007 ( 0.000 5.838 2.742) 6.450 44.076 ( 0.000 5.318 0.490) 5.341 48.778 ( 0.000 -17.895 5.474) 18.713 48.872 ( 0.000 -17.577 2.312) 17.728 50.367 ( -0.000 -18.215 7.148) 19.568 50.435 ( 0.000 -14.831 7.850) 16.781 50.679 ( 0.000 -14.660 -4.214) 15.254 50.753 ( 0.000 -13.940 -5.427) 14.959 50.770 ( -0.000 -12.855 -2.028) 13.014 50.865 ( 0.000 -5.990 -3.770) 7.078 51.185 ( 0.000 -17.137 3.466) 17.484 51.294 ( 0.000 -12.659 -0.549) 12.671 52.221 ( 0.000 -48.357 -0.384) 48.358 52.584 ( 0.000 -60.608 -10.548) 61.519 91.349 ( 0.000 -1.160 1.272) 1.721 91.375 ( 0.000 -1.184 2.018) 2.339 91.454 ( 0.000 -1.450 -2.585) 2.963 91.464 ( 0.000 -2.517 -1.558) 2.960 91.562 ( 0.000 -1.567 0.544) 1.658 91.601 ( 0.000 -3.068 -0.392) 3.093 91.698 ( 0.000 -3.453 -0.198) 3.459 91.834 ( 0.000 -5.528 -3.892) 6.761 93.277 ( 0.000 -0.401 8.574) 8.584 93.332 ( -0.000 4.516 8.789) 9.881 93.723 ( 0.000 -4.984 -12.127) 13.111 93.763 ( -0.000 0.063 -11.826) 11.826 94.431 ( 0.000 0.714 2.142) 2.258 94.493 ( 0.000 1.306 -0.559) 1.420 94.953 ( 0.000 -6.008 9.338) 11.103 95.128 ( 0.000 -8.076 2.869) 8.570 ======================= Grid point 245 (85/128) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.000 14.421 7.216) 16.126 2.238 ( 0.000 4.338 5.675) 7.143 2.375 ( 0.000 5.215 -0.661) 5.257 2.463 ( 0.000 5.456 -3.166) 6.308 2.598 ( 0.000 -1.126 -0.687) 1.319 2.738 ( 0.000 2.775 -5.105) 5.811 2.797 ( 0.000 0.866 -1.077) 1.382 2.957 ( 0.000 -1.602 3.719) 4.049 2.985 ( 0.000 6.165 -8.077) 10.162 3.094 ( 0.000 7.082 -2.770) 7.605 3.129 ( 0.000 -1.544 5.745) 5.949 3.248 ( 0.000 1.137 0.389) 1.202 3.287 ( 0.000 2.889 -0.920) 3.032 3.343 ( 0.000 -1.759 -3.206) 3.657 3.747 ( 0.000 4.230 4.708) 6.329 3.906 ( 0.000 7.243 -1.417) 7.380 4.646 ( 0.000 -9.490 19.721) 21.886 5.406 ( 0.000 4.610 -15.286) 15.966 5.448 ( 0.000 -9.259 7.434) 11.874 5.838 ( 0.000 -3.632 -9.506) 10.176 6.613 ( 0.000 -0.726 8.236) 8.268 6.762 ( 0.000 -1.227 6.552) 6.666 6.942 ( 0.000 1.829 -6.392) 6.649 6.950 ( 0.000 -5.592 -1.870) 5.896 7.147 ( 0.000 0.777 2.264) 2.394 7.266 ( 0.000 -1.873 -2.703) 3.288 7.590 ( 0.000 -3.514 8.937) 9.603 7.796 ( 0.000 5.427 -0.408) 5.442 8.091 ( 0.000 2.528 2.143) 3.314 8.181 ( 0.000 3.830 -1.870) 4.262 8.253 ( 0.000 -1.804 4.351) 4.710 8.832 ( 0.000 -15.087 -19.895) 24.969 15.177 ( 0.000 -5.805 2.377) 6.273 15.291 ( 0.000 -6.205 -2.526) 6.700 15.372 ( 0.000 -5.930 3.440) 6.856 15.540 ( 0.000 -6.276 -3.882) 7.379 15.577 ( 0.000 -5.141 1.710) 5.418 15.667 ( 0.000 -4.302 -1.977) 4.735 15.736 ( 0.000 1.985 2.913) 3.525 15.868 ( 0.000 2.746 -2.501) 3.715 15.879 ( 0.000 3.351 2.730) 4.322 16.003 ( 0.000 2.452 -2.854) 3.762 16.165 ( 0.000 -4.728 1.775) 5.050 16.226 ( 0.000 -5.226 -0.855) 5.295 18.892 ( 0.000 0.224 0.845) 0.874 18.958 ( 0.000 0.632 -1.728) 1.840 19.052 ( 0.000 -1.273 3.185) 3.430 19.181 ( 0.000 1.223 -2.715) 2.978 33.933 ( 0.000 2.658 3.798) 4.635 33.967 ( 0.000 3.173 2.195) 3.858 34.782 ( 0.000 4.068 0.121) 4.070 34.832 ( 0.000 2.311 -1.630) 2.828 35.725 ( 0.000 -0.325 2.285) 2.308 35.832 ( 0.000 0.749 -2.395) 2.509 37.085 ( 0.000 3.701 2.848) 4.670 37.213 ( 0.000 3.429 -2.818) 4.438 42.531 ( 0.000 -1.363 9.253) 9.353 42.960 ( 0.000 4.851 -9.727) 10.869 43.434 ( 0.000 9.848 2.653) 10.199 43.535 ( 0.000 14.755 0.314) 14.759 43.552 ( 0.000 8.477 -2.429) 8.818 43.591 ( 0.000 9.469 -1.522) 9.590 43.601 ( 0.000 9.675 1.514) 9.793 43.660 ( 0.000 7.091 -1.539) 7.257 44.030 ( 0.000 6.582 6.716) 9.404 44.168 ( 0.000 6.811 -0.968) 6.879 44.305 ( 0.000 2.524 4.679) 5.317 44.490 ( 0.000 5.673 -3.088) 6.459 48.955 ( 0.000 -20.032 4.875) 20.617 49.153 ( 0.000 -34.060 -2.070) 34.122 49.857 ( 0.000 -17.269 3.579) 17.636 49.925 ( 0.000 -10.668 -0.740) 10.693 50.069 ( 0.000 -3.429 1.732) 3.841 50.263 ( 0.000 -15.834 -4.417) 16.439 50.301 ( 0.000 -12.528 15.844) 20.199 50.657 ( 0.000 -12.396 8.166) 14.844 50.955 ( 0.000 -5.516 -7.321) 9.167 51.063 ( 0.000 -29.571 -9.239) 30.981 51.379 ( 0.000 -9.555 0.212) 9.557 51.710 ( 0.000 -20.713 -13.005) 24.457 91.348 ( 0.000 -0.541 0.637) 0.835 91.365 ( 0.000 -1.282 1.659) 2.097 91.396 ( 0.000 -0.832 -0.911) 1.234 91.447 ( 0.000 -1.702 0.441) 1.759 91.496 ( 0.000 -1.734 -1.895) 2.569 91.542 ( 0.000 -3.614 -5.864) 6.889 91.560 ( 0.000 -0.258 0.643) 0.693 91.589 ( 0.000 -1.768 -0.761) 1.925 93.034 ( 0.000 7.114 7.771) 10.536 93.411 ( 0.000 1.337 -9.930) 10.020 93.888 ( 0.000 0.466 6.287) 6.304 94.125 ( 0.000 -0.895 -4.102) 4.199 94.214 ( 0.000 0.337 2.488) 2.511 94.344 ( 0.000 -2.099 -3.468) 4.053 94.874 ( 0.000 -8.575 10.693) 13.706 95.149 ( 0.000 -9.994 -1.770) 10.150 ======================= Grid point 246 (86/128) ======================= q-point: ( 0.17 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 2.376 6.873 3.611) 8.119 2.278 ( 4.064 7.385 4.607) 9.606 2.407 ( -1.349 5.508 1.778) 5.943 2.540 ( 7.514 2.413 -1.171) 7.979 2.575 ( 1.095 2.947 -2.671) 4.125 2.715 ( -1.202 1.862 -3.357) 4.022 2.792 ( -0.117 5.805 -2.108) 6.177 2.960 ( -2.416 7.225 -4.590) 8.894 3.011 ( 3.271 -0.532 -1.095) 3.491 3.116 ( 2.228 3.328 -2.616) 4.784 3.167 ( 3.509 0.069 6.170) 7.099 3.262 ( 1.232 1.715 0.653) 2.210 3.285 ( 1.798 0.859 -0.061) 1.994 3.443 ( 8.001 -1.178 -2.971) 8.616 3.752 ( 0.210 3.612 4.366) 5.670 3.890 ( -1.693 7.504 -0.939) 7.750 4.651 ( 0.819 -8.989 19.295) 21.302 5.346 ( -8.314 -4.162 4.179) 10.193 5.401 ( -1.707 -2.065 -10.130) 10.478 5.825 ( -1.346 -2.365 -10.899) 11.234 6.572 ( -2.474 0.661 8.707) 9.076 6.814 ( 1.735 -2.486 4.835) 5.707 6.869 ( -0.277 1.157 -2.135) 2.444 7.050 ( 3.232 -3.132 -2.002) 4.926 7.167 ( 0.291 -0.755 -0.983) 1.274 7.252 ( 1.670 -2.037 -2.623) 3.717 7.578 ( -0.958 -3.137 8.579) 9.185 7.803 ( 0.437 4.097 -0.789) 4.195 8.097 ( 0.565 2.586 1.964) 3.296 8.174 ( -0.735 3.504 -1.155) 3.762 8.256 ( 0.432 -1.533 2.745) 3.174 8.750 ( -7.761 -14.166 -18.064) 24.232 15.193 ( 1.568 -5.815 2.505) 6.523 15.313 ( 2.099 -6.276 -2.596) 7.109 15.363 ( -0.832 -5.799 3.313) 6.730 15.527 ( -1.222 -6.079 -3.731) 7.237 15.599 ( 2.107 -4.866 1.447) 5.497 15.677 ( 0.822 -4.089 -1.774) 4.533 15.733 ( -0.181 2.618 3.031) 4.010 15.852 ( -0.542 1.555 -1.499) 2.226 15.903 ( 1.312 2.943 1.502) 3.556 16.004 ( -0.050 2.052 -2.566) 3.286 16.139 ( -2.394 -4.277 1.568) 5.147 16.197 ( -2.726 -4.976 -0.859) 5.739 18.892 ( -0.041 0.271 0.951) 0.989 18.964 ( 0.605 0.830 -1.945) 2.200 19.039 ( -1.171 -1.275 3.100) 3.551 19.161 ( -1.816 1.174 -2.537) 3.334 33.933 ( 0.048 2.742 3.658) 4.572 33.963 ( -0.353 3.173 2.271) 3.917 34.781 ( -0.083 4.107 0.043) 4.108 34.827 ( -0.490 2.586 -1.498) 3.029 35.756 ( 2.848 -0.408 1.887) 3.440 35.847 ( 1.273 0.604 -2.061) 2.497 37.088 ( 0.362 3.687 2.478) 4.457 37.198 ( -1.368 3.462 -2.390) 4.424 42.617 ( 8.165 -1.092 8.198) 11.621 43.001 ( 3.711 4.911 -8.713) 10.668 43.421 ( -1.446 11.241 1.901) 11.492 43.503 ( -1.838 10.799 -1.113) 11.011 43.585 ( 1.929 6.977 -0.423) 7.251 43.611 ( 3.989 11.609 -1.115) 12.326 43.644 ( 3.093 9.363 0.797) 9.893 43.688 ( 1.832 7.639 -0.790) 7.895 44.004 ( -2.251 6.881 5.803) 9.278 44.126 ( -4.117 6.453 -0.725) 7.689 44.267 ( -3.451 2.606 3.873) 5.806 44.422 ( -6.515 5.453 -2.674) 8.907 48.821 ( -10.882 -15.166 3.993) 19.088 48.984 ( -13.759 -25.334 -1.693) 28.879 49.909 ( 3.306 -19.273 5.321) 20.266 50.033 ( 7.743 -14.178 -0.482) 16.162 50.155 ( 7.882 -5.798 0.751) 9.814 50.284 ( 1.414 -13.794 0.928) 13.897 50.351 ( 6.542 -12.446 7.132) 15.766 50.661 ( 0.011 -11.613 4.487) 12.450 50.956 ( -0.033 -10.694 -2.013) 10.882 51.137 ( 6.042 -28.590 -7.796) 30.243 51.352 ( -2.375 -10.823 -0.502) 11.092 51.658 ( -4.724 -24.183 -12.364) 27.568 91.343 ( -0.489 -0.755 0.671) 1.122 91.362 ( -0.259 -1.018 1.324) 1.690 91.400 ( 0.420 -0.859 -0.979) 1.368 91.467 ( 1.802 -1.817 0.544) 2.616 91.488 ( -2.213 -1.853 -3.114) 4.246 91.514 ( 1.265 -1.503 -1.438) 2.434 91.596 ( 1.497 -1.519 -0.365) 2.164 91.640 ( 4.009 -2.999 -2.786) 5.729 93.065 ( 3.206 6.546 7.755) 10.643 93.443 ( 3.203 0.783 -10.005) 10.535 93.788 ( -8.581 0.779 6.418) 10.744 94.052 ( -6.168 -1.357 -5.549) 8.407 94.290 ( 5.515 0.310 2.161) 5.932 94.384 ( 3.416 -1.400 -1.932) 4.167 94.858 ( -1.485 -8.290 10.292) 13.299 95.112 ( -3.559 -9.459 -1.210) 10.179 ======================= Grid point 247 (87/128) ======================= q-point: ( 0.33 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.518 4.729 -0.921) 5.436 2.326 ( 0.351 2.838 -2.033) 3.509 2.379 ( 0.462 1.911 7.718) 7.965 2.567 ( -3.932 3.817 0.079) 5.480 2.644 ( 4.957 3.228 -1.000) 5.999 2.786 ( 5.113 5.219 -1.521) 7.463 2.844 ( 4.816 8.915 -6.324) 11.944 2.890 ( -3.954 7.740 -4.072) 9.598 3.053 ( 0.941 0.126 -1.509) 1.783 3.148 ( 0.712 2.191 -2.778) 3.608 3.259 ( 4.293 1.840 3.416) 5.787 3.293 ( 2.543 4.504 0.666) 5.215 3.386 ( 7.907 -1.084 4.702) 9.263 3.608 ( 6.954 1.468 -1.044) 7.184 3.733 ( -2.960 0.798 3.181) 4.418 3.845 ( -2.056 7.011 -0.616) 7.332 4.695 ( 4.076 -7.826 17.578) 19.669 5.119 ( -12.924 -7.515 12.753) 19.650 5.380 ( -0.478 -2.291 -13.719) 13.917 5.787 ( -2.126 0.246 -13.017) 13.192 6.550 ( 0.380 0.919 8.289) 8.349 6.775 ( -3.001 0.055 0.611) 3.063 6.936 ( 3.551 -0.001 1.843) 4.001 7.064 ( -2.201 -1.838 -2.849) 4.042 7.125 ( -0.648 0.037 2.676) 2.753 7.367 ( 5.492 -3.462 -2.858) 7.093 7.582 ( 2.844 -3.939 4.285) 6.477 7.793 ( -2.106 0.695 -2.133) 3.077 8.111 ( 0.812 2.696 1.414) 3.151 8.154 ( -1.145 3.044 -0.158) 3.256 8.278 ( 1.951 -1.978 -0.516) 2.826 8.560 ( -9.998 -11.252 -12.690) 19.688 15.233 ( 2.249 -5.832 2.757) 6.832 15.331 ( -1.386 -6.319 2.811) 7.054 15.375 ( 2.829 -5.614 -2.589) 6.799 15.494 ( -1.950 -5.976 -3.538) 7.213 15.652 ( 2.670 -2.923 0.781) 4.035 15.690 ( 0.260 -1.767 -0.696) 1.917 15.742 ( 1.550 1.213 2.861) 3.473 15.847 ( -0.376 -0.915 -1.432) 1.740 15.921 ( 0.578 0.550 1.345) 1.564 15.993 ( -1.207 0.954 -2.044) 2.558 16.086 ( -2.373 -3.020 0.898) 3.944 16.135 ( -2.888 -3.224 -0.839) 4.409 18.891 ( -0.003 0.400 1.198) 1.263 18.980 ( 0.824 1.421 -2.421) 2.926 19.014 ( -0.980 -1.369 2.743) 3.219 19.118 ( -2.220 0.902 -1.989) 3.114 33.936 ( 0.183 2.942 3.302) 4.426 33.954 ( -0.473 3.131 2.500) 4.034 34.779 ( -0.054 4.162 -0.133) 4.164 34.816 ( -0.477 3.100 -1.233) 3.370 35.821 ( 3.176 -0.416 0.949) 3.341 35.871 ( 0.812 0.250 -1.220) 1.487 37.101 ( 0.939 3.658 1.483) 4.057 37.164 ( -1.925 3.517 -1.289) 4.212 42.824 ( 11.382 0.351 5.325) 12.571 43.072 ( 2.098 5.200 -5.260) 7.688 43.381 ( -2.206 11.921 1.060) 12.169 43.486 ( 0.363 6.827 -3.426) 7.647 43.636 ( 0.508 8.132 3.892) 9.029 43.659 ( 1.001 9.933 0.914) 10.025 43.721 ( 5.114 9.847 -1.515) 11.199 43.765 ( 6.830 6.070 -0.521) 9.152 43.953 ( -3.197 8.535 2.083) 9.349 44.017 ( -5.888 4.732 -0.384) 7.563 44.187 ( -4.176 3.105 2.325) 5.700 44.258 ( -8.566 5.068 -1.111) 10.014 48.614 ( -8.262 -9.710 2.484) 12.989 48.720 ( -10.736 -14.247 -0.963) 17.865 49.969 ( 2.633 -18.568 6.636) 19.893 50.111 ( 0.335 -17.476 5.653) 18.371 50.323 ( 3.375 -16.365 -4.028) 17.188 50.346 ( 8.834 -7.791 -0.788) 11.805 50.569 ( 12.943 -8.508 0.290) 15.492 50.650 ( -0.494 -8.306 0.284) 8.326 50.927 ( -3.081 -13.028 5.380) 14.428 51.204 ( -3.654 -13.152 -6.217) 14.999 51.329 ( 2.573 -28.942 -0.964) 29.072 51.563 ( -3.518 -36.321 -9.707) 37.760 91.333 ( -0.371 -0.815 0.586) 1.070 91.357 ( -0.221 -0.963 0.994) 1.401 91.412 ( 0.696 -0.956 -1.251) 1.722 91.452 ( -1.432 -1.396 -2.236) 3.000 91.509 ( 2.066 -1.676 0.447) 2.697 91.543 ( 1.152 -1.489 -1.113) 2.187 91.628 ( 1.426 -1.960 -0.313) 2.444 91.709 ( 2.488 -4.070 -3.354) 5.832 93.166 ( 6.881 4.737 7.448) 11.192 93.537 ( 5.316 -1.464 -9.606) 11.076 93.591 ( -9.723 2.745 6.579) 12.056 93.903 ( -8.314 -1.211 -7.618) 11.341 94.389 ( 3.856 -0.219 2.385) 4.539 94.460 ( 3.618 -0.368 -0.685) 3.700 94.828 ( -1.099 -7.534 8.881) 11.698 95.023 ( -4.775 -8.491 0.397) 9.750 ======================= Grid point 248 (88/128) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.000 3.140 -0.715) 3.221 2.324 ( 0.000 1.627 -3.216) 3.604 2.443 ( 0.000 6.479 2.630) 6.993 2.469 ( 0.000 -0.706 4.756) 4.808 2.731 ( -0.000 4.770 -0.864) 4.847 2.804 ( 0.000 5.105 -3.773) 6.348 2.876 ( -0.000 10.320 -4.351) 11.199 2.884 ( 0.000 4.352 -2.641) 5.091 3.059 ( 0.000 0.578 -1.635) 1.734 3.153 ( 0.000 2.057 -2.922) 3.574 3.293 ( 0.000 1.783 1.181) 2.139 3.336 ( 0.000 5.716 -0.769) 5.768 3.561 ( -0.000 3.230 5.505) 6.383 3.596 ( 0.000 3.157 5.035) 5.943 3.707 ( -0.000 1.823 1.811) 2.570 3.828 ( 0.000 2.133 -3.136) 3.793 4.792 ( 0.000 -5.228 11.574) 12.700 4.922 ( -0.000 -10.413 20.940) 23.387 5.378 ( 0.000 -3.496 -13.908) 14.341 5.761 ( 0.000 1.590 -13.827) 13.918 6.564 ( -0.000 0.247 6.799) 6.804 6.735 ( 0.000 0.428 2.762) 2.795 6.981 ( 0.000 1.381 -1.276) 1.881 7.016 ( 0.000 0.153 -2.866) 2.870 7.136 ( 0.000 -2.247 5.670) 6.099 7.408 ( 0.000 -1.318 1.473) 1.977 7.701 ( -2.746 -9.425 -3.887) 10.558 7.701 ( 2.746 1.871 -1.896) 3.826 8.126 ( -0.000 2.678 0.716) 2.772 8.136 ( 0.000 2.986 0.504) 3.028 8.321 ( -0.000 -4.010 -4.401) 5.954 8.425 ( 0.000 -7.668 -6.592) 10.112 15.267 ( 0.000 -5.786 2.793) 6.425 15.306 ( -0.000 -6.185 3.337) 7.028 15.419 ( 0.000 -5.547 -3.618) 6.623 15.461 ( -0.000 -6.176 -3.139) 6.928 15.683 ( 0.000 -0.510 0.349) 0.619 15.688 ( 0.000 0.623 0.234) 0.665 15.783 ( 0.000 -1.471 1.832) 2.350 15.823 ( -0.000 -2.880 1.064) 3.070 15.940 ( 0.000 -2.987 -0.619) 3.050 15.963 ( -0.000 1.411 -1.662) 2.180 16.060 ( 0.000 -2.714 0.543) 2.768 16.105 ( 0.000 -0.581 -0.811) 0.998 18.891 ( 0.000 0.493 1.348) 1.435 18.987 ( 0.000 1.057 -0.889) 1.382 19.008 ( 0.000 -0.555 0.442) 0.710 19.090 ( 0.000 0.521 -1.387) 1.481 33.939 ( 0.000 3.138 2.966) 4.318 33.948 ( -0.000 3.009 2.772) 4.091 34.779 ( 0.000 4.173 -0.237) 4.180 34.811 ( 0.000 3.348 -1.089) 3.521 35.866 ( -0.000 -0.157 -0.113) 0.193 35.869 ( 0.000 -0.149 -0.193) 0.244 37.124 ( 0.000 3.802 0.220) 3.808 37.130 ( -0.000 3.381 0.021) 3.381 42.995 ( 0.000 3.068 1.486) 3.409 43.056 ( 0.000 3.824 -0.545) 3.862 43.354 ( 0.000 11.454 0.910) 11.490 43.498 ( 0.000 5.093 -5.477) 7.479 43.609 ( 0.000 8.649 6.480) 10.807 43.693 ( 0.000 9.464 1.394) 9.566 43.818 ( 0.000 10.741 -1.180) 10.805 43.859 ( 0.000 7.580 0.029) 7.580 43.901 ( 0.000 4.668 -2.458) 5.276 43.930 ( -0.000 5.018 -1.300) 5.184 44.113 ( 0.000 4.694 2.568) 5.351 44.169 ( -0.000 3.893 0.675) 3.951 48.528 ( 0.000 -8.106 1.751) 8.293 48.606 ( 0.000 -9.672 -0.562) 9.688 50.001 ( 0.000 -18.124 6.856) 19.377 50.103 ( 0.000 -17.548 7.796) 19.201 50.353 ( 0.000 -16.398 -5.974) 17.453 50.474 ( 0.000 -12.468 -5.061) 13.456 50.613 ( -0.000 -4.020 3.285) 5.191 50.766 ( 0.000 -6.346 -1.541) 6.531 50.893 ( 0.000 -11.793 3.450) 12.287 51.088 ( 0.000 -8.467 -2.359) 8.789 51.378 ( 0.000 -34.936 -2.625) 35.035 51.531 ( 0.000 -44.735 -6.801) 45.249 91.329 ( 0.000 -0.797 0.521) 0.953 91.354 ( 0.000 -0.992 0.886) 1.330 91.427 ( -0.000 -1.166 -2.097) 2.399 91.430 ( 0.000 -1.089 -1.250) 1.658 91.534 ( 0.000 -1.190 0.224) 1.211 91.552 ( 0.000 -1.909 -0.488) 1.971 91.644 ( -0.000 -2.045 -0.655) 2.147 91.733 ( 0.000 -4.541 -3.379) 5.660 93.292 ( 0.000 1.749 6.332) 6.569 93.423 ( -0.000 4.001 7.969) 8.917 93.648 ( 0.000 -2.377 -9.902) 10.184 93.773 ( -0.000 0.509 -8.271) 8.286 94.430 ( 0.000 -0.400 2.658) 2.688 94.501 ( 0.000 -0.227 -0.180) 0.290 94.821 ( 0.000 -6.715 7.097) 9.771 94.962 ( 0.000 -8.293 1.956) 8.521 ======================= Grid point 252 (89/128) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 0.000 1.901 13.448) 13.582 2.396 ( 0.000 4.422 3.834) 5.853 2.501 ( 0.000 -0.025 -0.269) 0.271 2.507 ( 0.000 9.882 1.131) 9.947 2.570 ( 0.000 -1.994 -3.359) 3.906 2.764 ( 0.000 -0.355 -4.431) 4.445 2.803 ( 0.000 0.279 0.382) 0.473 3.023 ( 0.000 -5.444 0.737) 5.493 3.031 ( 0.000 8.280 4.675) 9.509 3.127 ( 0.000 4.538 -3.581) 5.780 3.224 ( 0.000 4.474 -3.298) 5.558 3.272 ( 0.000 1.299 0.291) 1.332 3.296 ( 0.000 -2.998 -3.684) 4.749 3.340 ( 0.000 1.888 -2.619) 3.228 3.817 ( 0.000 2.777 4.576) 5.353 4.037 ( 0.000 5.322 -3.790) 6.534 4.425 ( 0.000 -10.523 22.639) 24.965 5.280 ( 0.000 -6.857 12.157) 13.958 5.433 ( 0.000 -1.340 -23.945) 23.983 5.791 ( 0.000 -1.299 -10.156) 10.239 6.604 ( 0.000 -0.225 7.972) 7.975 6.770 ( 0.000 1.847 5.554) 5.853 6.873 ( 0.000 -2.656 0.342) 2.678 6.970 ( 0.000 1.041 -7.807) 7.876 7.161 ( 0.000 0.606 1.062) 1.222 7.227 ( 0.000 -1.833 -1.405) 2.309 7.529 ( 0.000 -1.589 11.577) 11.685 7.956 ( 0.000 9.227 -4.273) 10.168 8.136 ( 0.000 1.789 2.792) 3.316 8.225 ( 0.000 -1.029 2.039) 2.284 8.246 ( 0.000 2.484 -2.246) 3.348 8.544 ( 0.000 -13.642 -13.995) 19.543 15.085 ( 0.000 -3.242 2.351) 4.005 15.193 ( 0.000 -3.491 -2.279) 4.169 15.280 ( 0.000 -3.260 3.331) 4.660 15.441 ( 0.000 -3.518 -3.686) 5.096 15.495 ( 0.000 -2.928 1.564) 3.319 15.581 ( 0.000 -3.373 -2.253) 4.056 15.787 ( 0.000 2.131 3.048) 3.719 15.913 ( 0.000 1.617 -2.449) 2.935 15.927 ( 0.000 1.406 2.051) 2.486 16.026 ( 0.000 0.006 -2.398) 2.398 16.095 ( 0.000 -2.361 1.871) 3.013 16.160 ( 0.000 -1.443 -0.598) 1.562 18.901 ( 0.000 0.522 1.297) 1.398 18.967 ( 0.000 0.204 -1.082) 1.101 19.031 ( 0.000 -0.699 3.127) 3.204 19.199 ( 0.000 0.592 -3.912) 3.957 33.973 ( 0.000 1.381 3.913) 4.149 34.015 ( 0.000 1.702 1.959) 2.595 34.841 ( 0.000 2.023 -0.285) 2.043 34.862 ( 0.000 0.817 -0.965) 1.265 35.720 ( 0.000 -0.170 2.680) 2.686 35.844 ( 0.000 0.430 -2.733) 2.766 37.144 ( 0.000 2.168 2.797) 3.539 37.267 ( 0.000 1.931 -2.552) 3.200 42.506 ( 0.000 -1.075 10.628) 10.682 43.026 ( 0.000 2.011 -12.369) 12.531 43.586 ( 0.000 5.221 1.603) 5.461 43.645 ( 0.000 2.625 -1.005) 2.810 43.734 ( 0.000 5.596 1.926) 5.918 43.775 ( 0.000 5.878 0.768) 5.928 43.794 ( 0.000 9.620 -1.091) 9.682 43.820 ( 0.000 7.982 -0.874) 8.030 44.127 ( 0.000 3.513 5.580) 6.594 44.278 ( 0.000 4.006 -1.292) 4.209 44.341 ( 0.000 1.036 3.994) 4.126 44.572 ( 0.000 2.565 -4.669) 5.327 48.515 ( 0.000 -20.854 2.986) 21.067 48.730 ( 0.000 -10.278 -6.256) 12.033 49.545 ( 0.000 -12.444 5.356) 13.548 49.727 ( 0.000 -8.392 -2.318) 8.706 49.949 ( 0.000 -9.008 1.868) 9.200 50.093 ( 0.000 -0.710 -4.618) 4.673 50.117 ( 0.000 -6.342 17.948) 19.036 50.437 ( 0.000 -9.435 5.648) 10.997 50.687 ( 0.000 -9.820 -5.291) 11.155 50.890 ( 0.000 -1.098 -11.232) 11.286 51.178 ( 0.000 -10.005 0.413) 10.013 51.445 ( 0.000 -6.979 -7.580) 10.304 91.337 ( 0.000 -0.504 0.396) 0.641 91.351 ( 0.000 -0.310 0.521) 0.607 91.382 ( 0.000 -0.494 -0.694) 0.851 91.422 ( 0.000 -0.760 0.237) 0.796 91.463 ( 0.000 -1.375 -2.261) 2.646 91.489 ( 0.000 -1.728 -5.550) 5.813 91.558 ( 0.000 -0.018 0.478) 0.478 91.570 ( 0.000 -0.455 -0.058) 0.458 93.155 ( 0.000 4.862 5.935) 7.672 93.424 ( 0.000 -0.027 -6.506) 6.506 93.892 ( 0.000 -0.002 5.766) 5.766 94.110 ( 0.000 -0.632 -3.759) 3.812 94.235 ( 0.000 1.587 2.100) 2.632 94.312 ( 0.000 -1.378 -1.228) 1.846 94.730 ( 0.000 -5.442 8.675) 10.240 94.980 ( 0.000 -6.571 -2.883) 7.175 ======================= Grid point 253 (90/128) ======================= q-point: ( 0.17 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 1.024 2.148 9.505) 9.799 2.414 ( -2.068 2.459 -1.377) 3.496 2.440 ( -3.255 0.310 3.141) 4.534 2.609 ( 5.831 5.793 0.946) 8.274 2.651 ( 8.878 2.731 -0.544) 9.305 2.723 ( -0.373 0.548 2.054) 2.159 2.902 ( 5.440 2.733 -4.447) 7.539 3.024 ( 0.427 3.657 3.296) 4.942 3.075 ( 4.018 -2.927 -0.784) 5.033 3.105 ( -2.112 3.943 -2.488) 5.119 3.223 ( 1.121 2.728 -1.584) 3.348 3.275 ( 1.183 0.081 0.568) 1.315 3.315 ( 1.907 1.195 -2.154) 3.115 3.434 ( 8.023 0.557 -3.332) 8.706 3.819 ( -0.167 3.037 4.441) 5.383 4.023 ( -1.561 5.143 -3.228) 6.270 4.441 ( 1.819 -9.997 22.089) 24.313 5.181 ( -9.232 -7.446 12.500) 17.231 5.425 ( -0.964 0.485 -22.235) 22.261 5.771 ( -1.973 -2.831 -12.720) 13.180 6.593 ( -0.649 1.016 8.669) 8.752 6.789 ( 0.561 0.106 5.465) 5.495 6.875 ( 1.195 -0.326 -0.907) 1.535 7.009 ( 2.613 -1.078 -5.349) 6.050 7.170 ( 0.432 0.726 0.555) 1.010 7.229 ( 1.659 -0.550 -1.922) 2.598 7.510 ( -1.749 -2.543 10.276) 10.730 7.937 ( -2.214 7.905 -5.249) 9.744 8.143 ( 0.635 1.823 2.607) 3.244 8.217 ( -0.699 0.255 1.298) 1.496 8.251 ( 0.351 1.369 -1.554) 2.100 8.481 ( -5.683 -12.603 -11.832) 18.197 15.102 ( 1.556 -3.247 2.469) 4.366 15.214 ( 1.841 -3.566 -2.217) 4.585 15.274 ( -0.502 -3.162 3.074) 4.438 15.430 ( -1.076 -3.460 -3.607) 5.112 15.519 ( 2.441 -2.867 1.395) 4.016 15.596 ( 1.493 -3.219 -2.001) 4.074 15.784 ( -0.355 1.926 2.724) 3.354 15.876 ( -2.321 0.523 -0.974) 2.571 15.952 ( 0.864 1.936 1.180) 2.426 16.024 ( -0.162 0.054 -2.089) 2.096 16.076 ( -1.747 -2.160 1.354) 3.090 16.137 ( -1.971 -1.173 -0.754) 2.415 18.901 ( 0.088 0.597 1.453) 1.574 18.976 ( 0.871 0.215 -1.093) 1.414 19.018 ( -1.189 -0.644 2.802) 3.111 19.178 ( -1.965 0.527 -3.722) 4.242 33.975 ( 0.171 1.427 3.749) 4.014 34.011 ( -0.367 1.696 2.056) 2.691 34.841 ( -0.042 2.037 -0.311) 2.061 34.860 ( -0.159 0.929 -0.930) 1.324 35.750 ( 2.801 -0.183 2.270) 3.610 35.856 ( 1.080 0.366 -2.360) 2.621 37.147 ( 0.329 2.152 2.443) 3.272 37.253 ( -1.315 1.955 -2.166) 3.200 42.595 ( 8.616 -0.966 9.410) 12.795 43.067 ( 3.688 1.932 -11.527) 12.255 43.593 ( -0.065 5.879 0.885) 5.945 43.641 ( -0.764 3.031 -1.616) 3.519 43.721 ( -1.775 6.562 1.580) 6.979 43.762 ( 3.386 5.258 0.638) 6.286 43.836 ( 1.185 6.422 0.545) 6.553 43.852 ( 2.625 8.561 -0.763) 8.987 44.109 ( -1.502 3.820 4.970) 6.446 44.235 ( -4.547 4.275 0.180) 6.244 44.301 ( -3.405 0.710 2.478) 4.271 44.500 ( -6.750 2.477 -3.953) 8.205 48.486 ( -2.539 -16.779 2.375) 17.136 48.662 ( -5.911 -7.431 -5.069) 10.764 49.578 ( 2.920 -13.045 5.696) 14.531 49.788 ( 4.016 -9.628 -2.315) 10.686 50.000 ( 4.163 -7.900 2.690) 9.326 50.110 ( 4.347 -5.875 1.157) 7.399 50.172 ( 4.797 -4.228 9.309) 11.293 50.454 ( 1.598 -9.209 5.933) 11.070 50.709 ( 1.956 -9.289 -6.280) 11.382 50.870 ( -1.793 -3.677 -8.523) 9.454 51.132 ( -4.461 -11.280 -1.172) 12.187 51.365 ( -7.836 -6.801 -6.700) 12.351 91.332 ( -0.454 -0.303 0.209) 0.585 91.346 ( -0.382 -0.613 0.317) 0.789 91.387 ( 0.433 -0.447 -0.587) 0.855 91.440 ( 1.570 -0.914 0.321) 1.845 91.461 ( -1.382 -0.822 -3.528) 3.877 91.486 ( 1.640 -1.228 -2.099) 2.933 91.579 ( 0.983 -0.458 0.076) 1.087 91.599 ( 2.792 -1.204 -1.602) 3.437 93.178 ( 2.326 4.580 5.812) 7.757 93.445 ( 2.130 -0.490 -6.646) 6.996 93.804 ( -7.367 0.828 5.779) 9.400 94.031 ( -6.440 -0.813 -4.499) 7.898 94.301 ( 4.774 0.840 2.147) 5.302 94.363 ( 4.341 -0.820 -0.516) 4.448 94.719 ( -1.045 -5.270 8.349) 9.928 94.951 ( -2.806 -6.275 -2.447) 7.296 ======================= Grid point 254 (91/128) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 1.235 1.512 0.538) 2.025 2.369 ( -2.303 -0.513 4.324) 4.926 2.402 ( 1.883 2.197 1.377) 3.205 2.621 ( -4.933 1.224 2.447) 5.641 2.732 ( 5.824 5.408 2.207) 8.248 2.868 ( 4.717 2.477 0.891) 5.402 2.997 ( 3.529 5.297 -4.369) 7.720 3.011 ( -1.833 4.927 0.158) 5.259 3.062 ( -0.356 1.334 -4.526) 4.732 3.162 ( 2.256 -1.436 -1.988) 3.333 3.275 ( 3.628 0.585 2.146) 4.256 3.345 ( 4.808 -2.131 -0.876) 5.332 3.402 ( 8.647 4.536 2.637) 10.114 3.622 ( 9.962 1.066 -3.105) 10.489 3.786 ( -3.858 3.464 4.265) 6.714 3.968 ( -4.090 4.307 -2.864) 6.595 4.509 ( 5.442 -8.997 21.087) 23.563 4.942 ( -13.825 -7.942 15.672) 22.356 5.404 ( -0.752 3.099 -20.071) 20.323 5.721 ( -2.637 -5.896 -17.956) 19.082 6.594 ( 0.850 2.693 9.256) 9.677 6.762 ( -2.599 -0.824 4.686) 5.421 6.931 ( 3.440 -0.230 0.093) 3.449 7.027 ( -0.912 -1.607 -2.824) 3.375 7.171 ( 0.362 3.570 1.436) 3.865 7.332 ( 6.707 -0.388 -3.372) 7.517 7.481 ( 0.359 -4.834 5.069) 7.014 7.847 ( -7.219 3.053 -7.486) 10.839 8.158 ( 0.733 1.833 2.063) 2.855 8.202 ( -0.638 1.804 0.976) 2.148 8.257 ( 0.163 -0.353 -1.263) 1.322 8.361 ( -4.997 -8.335 -6.125) 11.488 15.142 ( 2.286 -3.230 2.686) 4.782 15.229 ( -1.036 -3.729 1.749) 4.247 15.289 ( 2.570 -2.957 -1.389) 4.157 15.400 ( -1.959 -3.401 -3.380) 5.180 15.588 ( 4.233 -2.569 0.885) 5.030 15.637 ( 2.453 -2.535 -1.307) 3.762 15.771 ( -0.984 0.814 1.963) 2.342 15.820 ( -3.408 -1.457 -0.277) 3.717 15.947 ( -1.061 1.855 1.691) 2.725 16.025 ( -0.290 1.902 -1.999) 2.774 16.033 ( -1.770 -2.281 1.158) 3.111 16.103 ( -0.975 -0.748 -1.228) 1.738 18.905 ( 0.251 0.879 1.851) 2.065 18.985 ( -1.058 -1.414 3.090) 3.559 19.007 ( 1.371 1.157 -2.331) 2.941 19.128 ( -2.737 0.217 -3.149) 4.178 33.980 ( 0.368 1.540 3.324) 3.682 34.002 ( -0.557 1.659 2.347) 2.928 34.840 ( -0.034 2.056 -0.367) 2.089 34.857 ( -0.160 1.147 -0.855) 1.439 35.816 ( 3.296 -0.144 1.228) 3.520 35.876 ( 0.515 0.202 -1.383) 1.490 37.159 ( 0.896 2.110 1.487) 2.732 37.219 ( -1.871 2.005 -1.149) 2.973 42.822 ( 13.013 -0.358 5.855) 14.274 43.136 ( 1.679 1.649 -8.129) 8.463 43.570 ( -2.132 6.396 -1.232) 6.854 43.598 ( -2.072 4.370 -2.602) 5.492 43.748 ( 2.752 4.088 4.749) 6.844 43.829 ( -0.036 6.649 2.071) 6.964 43.862 ( 4.452 3.592 -0.186) 5.724 43.913 ( 4.164 7.555 -1.911) 8.835 44.079 ( -2.855 3.326 2.367) 4.981 44.111 ( -5.732 5.313 1.840) 8.029 44.228 ( -3.576 0.911 1.058) 3.839 44.333 ( -8.831 2.431 -1.786) 9.332 48.437 ( -1.690 -8.581 0.951) 8.797 48.537 ( -5.672 -4.011 -3.062) 7.592 49.647 ( 3.639 -12.855 6.226) 14.740 49.810 ( -1.554 -11.637 3.050) 12.130 50.091 ( 4.031 -6.073 0.497) 7.306 50.227 ( 5.757 -3.440 -2.136) 7.039 50.364 ( 13.629 -13.327 4.885) 19.678 50.499 ( 3.281 -6.483 5.837) 9.320 50.727 ( -1.939 -5.621 -3.917) 7.120 50.852 ( 1.900 -11.172 -5.437) 12.569 51.007 ( -8.097 -16.541 -4.639) 18.992 51.154 ( -12.157 -4.924 -4.803) 13.968 91.323 ( -0.343 -0.182 -0.018) 0.389 91.339 ( -0.301 -0.817 0.039) 0.871 91.398 ( 0.646 -0.415 -0.702) 1.041 91.433 ( -1.118 -0.609 -1.895) 2.282 91.483 ( 2.242 -0.821 0.124) 2.391 91.520 ( 1.218 -0.814 -1.575) 2.151 91.601 ( 1.216 -0.755 -0.261) 1.454 91.646 ( 1.547 -2.213 -2.486) 3.670 93.252 ( 5.008 3.671 5.308) 8.169 93.496 ( 1.523 -2.202 -5.213) 5.860 93.655 ( -5.532 3.073 4.294) 7.647 93.883 ( -7.826 -0.930 -5.405) 9.556 94.387 ( 3.522 0.148 3.001) 4.630 94.453 ( 3.673 -0.448 0.176) 3.704 94.702 ( -0.034 -4.578 6.626) 8.054 94.876 ( -4.333 -5.843 -1.092) 7.356 ======================= Grid point 255 (92/128) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 1.126 -0.116) 1.132 2.339 ( -0.000 0.205 -3.069) 3.076 2.486 ( 0.000 1.813 8.893) 9.076 2.518 ( -0.000 1.474 3.588) 3.880 2.826 ( -0.000 4.530 0.716) 4.586 2.871 ( 0.000 2.109 0.830) 2.267 2.975 ( -0.000 4.236 -2.717) 5.032 3.045 ( 0.000 6.564 -3.203) 7.304 3.063 ( 0.000 -0.191 -2.088) 2.097 3.177 ( 0.000 -0.047 -2.498) 2.499 3.316 ( 0.000 0.756 1.156) 1.381 3.397 ( 0.000 -1.055 -2.786) 2.979 3.620 ( 0.000 4.448 5.004) 6.695 3.646 ( -0.000 3.191 2.816) 4.256 3.772 ( 0.000 3.560 1.289) 3.786 3.889 ( 0.000 1.833 -5.568) 5.862 4.676 ( 0.002 -10.767 24.258) 26.541 4.678 ( -0.002 -5.897 14.277) 15.447 5.398 ( 0.000 4.280 -18.514) 19.003 5.689 ( 0.000 -7.583 -20.842) 22.179 6.612 ( -0.000 3.808 8.830) 9.616 6.724 ( 0.000 -1.390 5.816) 5.979 6.990 ( -0.000 -1.456 -1.494) 2.086 6.991 ( 0.000 -0.307 -1.023) 1.068 7.180 ( 0.000 5.041 2.530) 5.641 7.384 ( 0.000 -2.185 2.743) 3.507 7.568 ( 0.000 -2.389 -7.340) 7.719 7.703 ( -0.000 -2.599 -6.070) 6.603 8.167 ( -0.000 1.680 1.571) 2.300 8.195 ( 0.000 2.743 1.090) 2.952 8.257 ( -0.000 -2.522 -1.455) 2.912 8.311 ( 0.000 -3.871 -2.696) 4.718 15.179 ( 0.000 -2.901 2.667) 3.941 15.203 ( -0.000 -3.971 2.846) 4.886 15.337 ( 0.000 -2.639 -3.041) 4.027 15.362 ( -0.000 -3.758 -2.864) 4.725 15.657 ( 0.000 -1.454 -0.101) 1.457 15.667 ( -0.000 -1.810 -0.494) 1.876 15.753 ( -0.000 -1.541 1.395) 2.078 15.765 ( -0.000 -2.411 0.841) 2.553 15.933 ( 0.000 1.734 1.000) 2.002 15.999 ( 0.000 0.645 0.853) 1.070 16.033 ( 0.000 0.551 -1.215) 1.334 16.095 ( 0.000 -0.742 -1.336) 1.528 18.908 ( 0.000 1.209 2.144) 2.461 18.970 ( 0.000 -1.625 2.928) 3.349 19.033 ( 0.000 1.919 -3.270) 3.792 19.090 ( -0.000 -0.595 -2.329) 2.404 33.988 ( 0.000 1.730 2.860) 3.343 33.993 ( -0.000 1.506 2.745) 3.131 34.840 ( 0.000 2.060 -0.401) 2.099 34.855 ( 0.000 1.255 -0.813) 1.495 35.866 ( -0.000 0.045 -0.062) 0.077 35.868 ( 0.000 -0.036 -0.121) 0.126 37.183 ( 0.000 2.131 0.201) 2.141 37.185 ( -0.000 1.986 0.166) 1.993 43.038 ( -0.000 1.683 0.326) 1.715 43.087 ( 0.000 -0.188 -1.265) 1.279 43.539 ( 0.000 6.623 -1.944) 6.902 43.583 ( 0.000 3.270 -3.838) 5.042 43.763 ( 0.000 6.705 4.592) 8.126 43.859 ( -0.000 7.253 4.221) 8.392 43.911 ( 0.000 -0.323 -1.455) 1.491 43.978 ( 0.000 2.809 1.440) 3.156 44.034 ( -0.000 6.786 -2.792) 7.338 44.040 ( 0.000 6.613 -0.907) 6.675 44.185 ( 0.000 2.430 2.448) 3.449 44.222 ( -0.000 1.238 0.902) 1.532 48.427 ( -0.000 -2.718 -0.380) 2.744 48.469 ( 0.000 -4.757 -1.570) 5.009 49.698 ( 0.000 -11.105 6.066) 12.654 49.776 ( 0.000 -14.187 5.649) 15.270 50.131 ( 0.000 -4.701 -0.877) 4.782 50.299 ( -0.000 -5.120 -2.455) 5.678 50.533 ( 0.000 -14.627 1.671) 14.722 50.577 ( -0.000 0.125 4.262) 4.263 50.729 ( 0.000 -6.922 1.914) 7.181 50.816 ( 0.000 -25.824 -4.041) 26.138 50.941 ( -0.000 -8.619 -6.452) 10.767 50.967 ( 0.000 -5.958 -6.166) 8.574 91.320 ( 0.000 -0.170 -0.095) 0.195 91.336 ( 0.000 -0.848 -0.077) 0.852 91.411 ( -0.000 -0.422 -1.252) 1.322 91.416 ( 0.000 -0.484 -1.020) 1.129 91.517 ( 0.000 -0.554 -0.067) 0.558 91.524 ( -0.000 -0.963 -0.618) 1.144 91.618 ( -0.000 -0.607 -1.044) 1.208 91.659 ( 0.000 -2.864 -2.515) 3.811 93.340 ( 0.000 2.941 4.083) 5.032 93.453 ( -0.000 -1.217 3.607) 3.807 93.652 ( 0.000 2.818 -4.313) 5.152 93.769 ( -0.000 -1.216 -4.975) 5.122 94.428 ( 0.000 0.419 3.267) 3.294 94.487 ( 0.000 -1.323 1.704) 2.157 94.718 ( 0.000 -2.961 3.472) 4.563 94.814 ( 0.000 -6.446 0.684) 6.482 ======================= Grid point 259 (93/128) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 0.000 0.000 16.890) 16.890 2.428 ( 0.000 0.000 3.479) 3.479 2.500 ( 0.000 0.000 -1.461) 1.461 2.542 ( 0.000 -0.000 -2.349) 2.349 2.640 ( 0.000 0.000 -4.077) 4.077 2.756 ( 0.000 0.000 -3.280) 3.280 2.832 ( 0.000 -0.000 5.635) 5.635 2.909 ( 0.000 0.000 3.468) 3.468 3.147 ( 0.000 -0.000 2.218) 2.218 3.217 ( 0.000 0.000 -4.738) 4.738 3.227 ( 0.000 -0.000 -5.184) 5.184 3.270 ( 0.000 0.000 -2.552) 2.552 3.297 ( 0.000 -0.000 -0.579) 0.579 3.334 ( 0.000 0.000 -0.425) 0.425 3.847 ( 0.000 0.000 4.210) 4.210 4.094 ( 0.000 0.000 -5.702) 5.702 4.309 ( 0.000 0.000 23.175) 23.175 5.208 ( 0.000 0.000 15.136) 15.136 5.408 ( 0.000 0.000 -26.880) 26.880 5.779 ( 0.000 0.000 -10.262) 10.262 6.602 ( 0.000 0.000 7.616) 7.616 6.803 ( 0.000 0.000 4.353) 4.353 6.839 ( 0.000 0.000 0.863) 0.863 6.981 ( 0.000 0.000 -8.707) 8.707 7.169 ( 0.000 0.000 0.919) 0.919 7.205 ( 0.000 0.000 -0.910) 0.910 7.518 ( 0.000 0.000 12.320) 12.320 8.090 ( 0.000 0.000 -8.169) 8.169 8.155 ( 0.000 0.000 3.058) 3.058 8.216 ( 0.000 -0.000 1.412) 1.412 8.272 ( 0.000 0.000 -2.341) 2.341 8.362 ( 0.000 -0.000 -8.905) 8.905 15.053 ( 0.000 0.000 2.335) 2.335 15.158 ( 0.000 0.000 -2.191) 2.191 15.248 ( 0.000 0.000 3.282) 3.282 15.406 ( 0.000 0.000 -3.607) 3.607 15.465 ( 0.000 0.000 1.452) 1.452 15.546 ( 0.000 0.000 -2.133) 2.133 15.809 ( 0.000 0.000 2.873) 2.873 15.929 ( 0.000 0.000 -2.364) 2.364 15.938 ( 0.000 0.000 1.577) 1.577 16.022 ( 0.000 0.000 -2.291) 2.291 16.072 ( 0.000 0.000 2.452) 2.452 16.150 ( 0.000 0.000 -0.759) 0.759 18.907 ( 0.000 0.000 1.439) 1.439 18.968 ( 0.000 0.000 -0.271) 0.271 19.025 ( 0.000 0.000 2.565) 2.565 19.204 ( 0.000 0.000 -4.388) 4.388 33.987 ( 0.000 0.000 3.967) 3.967 34.032 ( 0.000 0.000 1.874) 1.874 34.864 ( 0.000 0.000 -0.501) 0.501 34.867 ( 0.000 -0.000 -0.700) 0.700 35.718 ( 0.000 0.000 2.823) 2.823 35.848 ( 0.000 0.000 -2.852) 2.852 37.166 ( 0.000 0.000 2.779) 2.779 37.286 ( 0.000 0.000 -2.439) 2.439 42.494 ( 0.000 0.000 11.068) 11.068 43.045 ( 0.000 0.000 -13.237) 13.237 43.638 ( 0.000 0.000 0.861) 0.861 43.669 ( 0.000 0.000 -0.651) 0.651 43.790 ( 0.000 0.000 3.869) 3.869 43.836 ( 0.000 0.000 1.611) 1.611 43.893 ( 0.000 0.000 -0.875) 0.875 43.905 ( 0.000 0.000 -1.432) 1.432 44.167 ( 0.000 0.000 3.545) 3.545 44.317 ( 0.000 0.000 -2.991) 2.991 44.349 ( 0.000 0.000 5.074) 5.074 44.596 ( 0.000 0.000 -5.259) 5.259 48.298 ( 0.000 0.000 5.326) 5.326 48.632 ( 0.000 0.000 -9.578) 9.578 49.415 ( 0.000 0.000 6.099) 6.099 49.636 ( 0.000 0.000 -3.547) 3.547 49.852 ( 0.000 0.000 4.241) 4.241 50.053 ( 0.000 0.000 18.458) 18.458 50.100 ( 0.000 0.000 -6.845) 6.845 50.333 ( 0.000 0.000 6.457) 6.457 50.600 ( 0.000 0.000 -5.051) 5.051 50.892 ( 0.000 0.000 -18.432) 18.432 51.058 ( 0.000 0.000 7.474) 7.474 51.383 ( 0.000 0.000 -7.014) 7.014 91.332 ( 0.000 0.000 0.288) 0.288 91.349 ( 0.000 0.000 0.148) 0.148 91.377 ( 0.000 0.000 -0.679) 0.679 91.415 ( 0.000 0.000 0.211) 0.211 91.449 ( 0.000 0.000 -2.249) 2.249 91.472 ( 0.000 0.000 -5.377) 5.377 91.558 ( 0.000 0.000 0.451) 0.451 91.566 ( 0.000 0.000 0.091) 0.091 93.208 ( 0.000 0.000 4.901) 4.901 93.420 ( 0.000 0.000 -4.892) 4.892 93.891 ( 0.000 0.000 5.588) 5.588 94.103 ( 0.000 0.000 -3.665) 3.665 94.262 ( 0.000 -0.000 1.624) 1.624 94.289 ( 0.000 0.000 0.351) 0.351 94.675 ( 0.000 0.000 7.620) 7.620 94.911 ( 0.000 0.000 -3.479) 3.479 ======================= Grid point 261 (94/128) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 1.174 0.000 14.025) 14.074 2.418 ( -4.913 0.000 -1.705) 5.200 2.445 ( -1.394 0.000 -1.354) 1.944 2.666 ( 0.390 -0.000 -3.421) 3.443 2.674 ( 12.735 0.000 2.384) 12.957 2.776 ( 0.453 0.000 8.145) 8.157 2.920 ( 8.355 0.000 -4.802) 9.637 2.970 ( 5.583 0.000 3.408) 6.541 3.108 ( -2.871 -0.000 0.828) 2.988 3.172 ( -3.679 0.000 -4.855) 6.091 3.235 ( 2.020 -0.000 -1.618) 2.588 3.276 ( -0.070 0.000 -0.811) 0.814 3.330 ( 3.733 0.000 -1.015) 3.868 3.439 ( 8.432 0.000 -2.454) 8.782 3.855 ( 0.317 0.000 3.767) 3.780 4.073 ( -2.187 0.000 -3.747) 4.339 4.334 ( 2.524 0.000 21.633) 21.780 5.102 ( -9.668 0.000 14.638) 17.543 5.424 ( 1.122 0.000 -25.408) 25.432 5.739 ( -3.923 0.000 -12.303) 12.913 6.603 ( 0.288 0.000 8.421) 8.426 6.797 ( -1.029 0.000 4.184) 4.309 6.869 ( 2.691 0.000 0.545) 2.746 6.999 ( 1.409 0.000 -6.921) 7.063 7.181 ( 1.238 0.000 0.868) 1.512 7.224 ( 2.617 0.000 -1.684) 3.112 7.486 ( -2.983 0.000 10.861) 11.263 8.049 ( -4.680 0.000 -10.320) 11.332 8.162 ( 0.685 0.000 2.918) 2.998 8.222 ( 0.563 -0.000 1.075) 1.214 8.269 ( -0.338 0.000 -2.144) 2.171 8.313 ( -3.949 -0.000 -5.429) 6.714 15.069 ( 1.554 0.000 2.447) 2.899 15.178 ( 1.727 0.000 -2.086) 2.708 15.242 ( -0.370 0.000 2.984) 3.007 15.395 ( -1.032 0.000 -3.533) 3.681 15.491 ( 2.503 0.000 1.295) 2.818 15.563 ( 1.645 0.000 -1.914) 2.524 15.803 ( -0.693 0.000 2.444) 2.540 15.878 ( -3.130 0.000 -0.717) 3.211 15.975 ( 1.442 -0.000 0.918) 1.710 16.018 ( -0.556 0.000 -1.555) 1.652 16.057 ( -1.154 0.000 1.390) 1.807 16.130 ( -1.839 0.000 -1.040) 2.112 18.909 ( 0.205 0.000 1.617) 1.630 18.975 ( 0.594 0.000 0.403) 0.717 19.013 ( -0.880 0.000 1.552) 1.784 19.183 ( -2.048 0.000 -4.207) 4.679 33.989 ( 0.215 0.000 3.792) 3.798 34.028 ( -0.376 0.000 1.979) 2.015 34.864 ( -0.031 0.000 -0.511) 0.512 34.866 ( -0.065 -0.000 -0.687) 0.691 35.749 ( 2.801 0.000 2.405) 3.692 35.860 ( 1.020 0.000 -2.466) 2.669 37.169 ( 0.312 0.000 2.434) 2.453 37.273 ( -1.292 0.000 -2.068) 2.439 42.585 ( 8.748 0.000 9.787) 13.127 43.085 ( 3.593 0.000 -12.441) 12.950 43.655 ( -1.365 -0.000 -0.287) 1.395 43.663 ( 1.936 0.000 -0.056) 1.937 43.790 ( -3.168 0.000 1.606) 3.551 43.817 ( 3.010 0.000 1.518) 3.371 43.905 ( 0.389 0.000 0.970) 1.045 43.939 ( 2.615 0.000 -1.109) 2.841 44.151 ( -1.346 0.000 3.596) 3.839 44.290 ( -5.592 0.000 5.187) 7.628 44.294 ( -2.279 -0.000 -2.778) 3.593 44.524 ( -6.800 0.000 -4.451) 8.127 48.308 ( 1.028 0.000 4.430) 4.547 48.593 ( -3.634 0.000 -8.222) 8.989 49.441 ( 2.530 0.000 6.400) 6.882 49.687 ( 3.342 0.000 -3.460) 4.811 49.920 ( 6.361 0.000 3.803) 7.411 50.036 ( 1.557 0.000 10.926) 11.037 50.151 ( 2.966 0.000 -0.164) 2.971 50.351 ( 1.998 0.000 6.301) 6.611 50.628 ( 2.857 0.000 -5.623) 6.307 50.848 ( -4.431 0.000 -17.539) 18.090 51.000 ( -5.664 0.000 7.128) 9.104 51.306 ( -7.387 0.000 -6.429) 9.792 91.330 ( -0.207 0.000 0.121) 0.240 91.339 ( -0.696 0.000 -0.146) 0.711 91.383 ( 0.471 0.000 -0.464) 0.661 91.431 ( 1.326 0.000 0.195) 1.340 91.454 ( -1.058 0.000 -3.499) 3.656 91.472 ( 2.023 0.000 -2.278) 3.047 91.574 ( 0.797 0.000 0.170) 0.815 91.588 ( 2.233 0.000 -1.143) 2.509 93.228 ( 2.055 0.000 4.732) 5.159 93.436 ( 1.580 0.000 -5.008) 5.252 93.814 ( -6.498 0.000 5.473) 8.495 94.022 ( -6.614 0.000 -4.056) 7.759 94.315 ( 3.861 0.000 2.323) 4.506 94.352 ( 5.097 0.000 0.266) 5.104 94.665 ( -0.842 0.000 7.285) 7.334 94.885 ( -2.559 0.000 -3.107) 4.025 ======================= Grid point 263 (95/128) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -1.883 0.001 -1.257) 2.264 2.350 ( 1.225 -0.001 9.291) 9.371 2.425 ( 1.558 0.000 -1.359) 2.067 2.630 ( -4.328 0.000 2.518) 5.007 2.803 ( 3.181 0.000 5.046) 5.965 2.885 ( 5.375 0.000 3.744) 6.551 3.042 ( 0.737 0.000 -3.534) 3.610 3.088 ( -3.967 0.000 -5.888) 7.100 3.095 ( 3.272 -0.002 -0.935) 3.403 3.104 ( 5.466 0.002 -0.062) 5.466 3.297 ( 2.830 0.000 0.916) 2.975 3.301 ( 3.894 -0.000 -0.835) 3.982 3.458 ( 9.816 0.000 1.248) 9.895 3.637 ( 10.922 0.000 -3.000) 11.326 3.832 ( -3.417 0.000 2.789) 4.411 3.999 ( -5.443 0.000 -1.814) 5.737 4.415 ( 5.957 0.000 20.433) 21.284 4.857 ( -13.992 0.000 17.196) 22.170 5.453 ( 2.186 0.000 -24.386) 24.484 5.636 ( -5.939 -0.000 -16.827) 17.844 6.624 ( 2.007 0.000 8.849) 9.073 6.754 ( -3.204 0.000 5.170) 6.083 6.929 ( 2.971 -0.000 -0.184) 2.977 7.009 ( -0.689 0.000 -3.511) 3.578 7.222 ( 2.921 0.000 1.513) 3.290 7.329 ( 5.584 0.000 -1.217) 5.715 7.425 ( -0.257 0.000 3.756) 3.765 7.881 ( -11.906 0.000 -12.198) 17.046 8.180 ( 1.020 0.000 2.496) 2.696 8.236 ( -2.318 0.000 -0.036) 2.318 8.237 ( 0.901 -0.000 0.288) 0.946 8.269 ( -0.648 0.000 -1.481) 1.616 15.110 ( 2.333 0.000 2.645) 3.527 15.192 ( -1.005 0.000 1.439) 1.755 15.260 ( 2.550 0.000 -1.036) 2.752 15.365 ( -1.969 0.000 -3.302) 3.845 15.562 ( 4.462 0.000 0.841) 4.541 15.610 ( 2.937 0.000 -1.342) 3.229 15.776 ( -2.039 0.000 1.393) 2.469 15.803 ( -4.367 0.000 0.038) 4.367 15.981 ( -0.579 -0.000 2.738) 2.799 15.997 ( -1.390 0.000 0.377) 1.440 16.051 ( 0.672 0.000 -1.377) 1.532 16.093 ( -1.511 -0.000 -1.772) 2.329 18.917 ( 0.670 -0.000 2.093) 2.198 18.967 ( -1.463 0.000 3.244) 3.559 19.020 ( 1.761 0.000 -2.227) 2.839 19.130 ( -3.082 0.000 -3.704) 4.818 33.996 ( 0.438 0.000 3.340) 3.369 34.018 ( -0.593 0.000 2.293) 2.369 34.863 ( -0.011 0.000 -0.545) 0.545 34.865 ( -0.085 -0.000 -0.650) 0.655 35.814 ( 3.347 0.000 1.322) 3.599 35.878 ( 0.420 0.000 -1.441) 1.500 37.180 ( 0.870 0.000 1.497) 1.731 37.240 ( -1.843 0.000 -1.082) 2.137 42.817 ( 13.516 0.000 5.971) 14.776 43.150 ( 1.325 0.000 -9.041) 9.138 43.626 ( -1.251 0.000 -1.577) 2.013 43.649 ( -3.365 0.000 -2.674) 4.298 43.791 ( 3.708 0.000 4.655) 5.951 43.891 ( 2.496 -0.000 -0.144) 2.500 43.908 ( 0.558 0.000 1.808) 1.892 43.986 ( 2.760 0.000 -1.678) 3.230 44.112 ( -4.676 0.000 3.128) 5.626 44.175 ( -2.108 0.000 5.387) 5.784 44.229 ( -4.229 0.000 -2.259) 4.794 44.356 ( -8.860 0.000 -2.121) 9.110 48.343 ( 2.540 0.000 1.971) 3.215 48.504 ( -4.907 0.000 -5.125) 7.095 49.510 ( 4.283 0.000 6.506) 7.789 49.691 ( -3.002 0.000 1.929) 3.569 50.069 ( 7.282 -0.000 3.210) 7.958 50.171 ( 7.012 0.000 5.522) 8.925 50.204 ( 6.270 0.000 -2.199) 6.645 50.425 ( 5.783 0.000 5.697) 8.118 50.711 ( 4.588 -0.000 -5.650) 7.279 50.714 ( -8.985 0.000 -13.949) 16.592 50.848 ( -8.215 0.000 5.279) 9.765 51.112 ( -11.239 0.000 -5.714) 12.608 91.325 ( -0.224 0.000 -0.172) 0.283 91.327 ( -0.437 -0.000 -0.335) 0.551 91.394 ( 0.659 0.000 -0.525) 0.843 91.426 ( -0.976 0.000 -1.723) 1.980 91.476 ( 2.220 0.000 -0.038) 2.221 91.511 ( 1.379 0.000 -1.772) 2.245 91.595 ( 1.255 0.000 -0.276) 1.285 91.623 ( 0.952 0.000 -2.024) 2.237 93.293 ( 4.563 0.000 4.167) 6.180 93.469 ( 0.402 0.000 -3.689) 3.711 93.690 ( -3.941 0.000 3.748) 5.439 93.871 ( -8.071 0.000 -4.372) 9.179 94.391 ( 3.638 0.000 3.539) 5.075 94.445 ( 3.074 0.000 1.007) 3.235 94.658 ( 0.923 0.000 5.122) 5.205 94.814 ( -4.451 0.000 -1.934) 4.853 ======================= Grid point 265 (96/128) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -0.594 -0.110 -0.670) 0.902 2.340 ( 0.594 0.110 -0.670) 0.902 2.518 ( -5.691 -0.375 6.251) 8.462 2.518 ( 5.691 0.375 6.251) 8.462 2.885 ( -3.433 -0.453 3.032) 4.602 2.885 ( 3.434 0.453 3.032) 4.603 3.041 ( -0.039 -2.273 -3.329) 4.031 3.042 ( 0.039 2.274 -3.328) 4.031 3.142 ( -0.074 -3.438 -1.992) 3.974 3.142 ( 0.074 3.439 -1.992) 3.974 3.345 ( -0.023 -2.561 -0.561) 2.622 3.345 ( 0.023 2.561 -0.561) 2.622 3.691 ( -10.726 -0.104 2.057) 10.922 3.691 ( 10.726 0.104 2.057) 10.922 3.849 ( -6.839 -3.214 -1.929) 7.799 3.849 ( 6.839 3.214 -1.929) 7.799 4.589 ( -11.159 -0.489 19.831) 22.760 4.589 ( 11.159 0.489 19.831) 22.760 5.523 ( -1.395 -7.694 -21.409) 22.792 5.523 ( 1.395 7.694 -21.409) 22.792 6.682 ( -1.860 -2.487 7.438) 8.060 6.682 ( 1.860 2.487 7.438) 8.060 6.980 ( -1.960 -0.121 -1.550) 2.502 6.980 ( 1.960 0.121 -1.550) 2.502 7.295 ( -1.376 -5.632 3.876) 6.974 7.295 ( 1.376 5.632 3.876) 6.974 7.614 ( -10.880 -3.123 -9.039) 14.485 7.614 ( 10.880 3.123 -9.039) 14.485 8.202 ( -0.410 -1.805 1.743) 2.542 8.202 ( 0.410 1.805 1.743) 2.542 8.255 ( -0.154 -2.191 -0.622) 2.282 8.255 ( 0.154 2.191 -0.622) 2.282 15.156 ( -1.905 -0.333 2.611) 3.250 15.156 ( 1.905 0.333 2.611) 3.250 15.317 ( -2.526 -0.280 -2.771) 3.760 15.317 ( 2.526 0.280 -2.771) 3.760 15.644 ( -1.787 -0.069 -0.329) 1.818 15.644 ( 1.787 0.069 -0.329) 1.818 15.738 ( -0.001 -0.254 0.779) 0.820 15.738 ( 0.001 0.254 0.779) 0.820 15.976 ( -0.041 -2.067 1.939) 2.835 15.976 ( 0.041 2.067 1.939) 2.835 16.069 ( -0.262 -1.833 -1.908) 2.659 16.069 ( 0.262 1.833 -1.908) 2.659 18.937 ( -0.507 -1.515 2.724) 3.158 18.937 ( 0.507 1.515 2.724) 3.158 19.068 ( -2.009 -1.098 -3.011) 3.783 19.068 ( 2.009 1.098 -3.011) 3.783 34.006 ( -0.549 -0.050 2.783) 2.837 34.006 ( 0.549 0.050 2.783) 2.837 34.863 ( -0.003 -0.384 -0.596) 0.709 34.863 ( 0.003 0.384 -0.596) 0.709 35.867 ( -1.643 -0.004 -0.072) 1.645 35.867 ( 1.643 0.004 -0.072) 1.645 37.205 ( -1.548 -0.000 0.219) 1.563 37.205 ( 1.548 0.000 0.219) 1.563 43.068 ( -9.452 -0.368 -0.842) 9.497 43.068 ( 9.453 0.368 -0.842) 9.497 43.611 ( -0.001 -0.815 -3.063) 3.169 43.611 ( 0.001 0.815 -3.063) 3.169 43.868 ( -1.252 -3.547 1.595) 4.085 43.868 ( 1.252 3.547 1.595) 4.085 43.967 ( -3.556 -2.520 3.366) 5.507 43.967 ( 3.556 2.520 3.366) 5.507 44.114 ( -6.868 -0.002 -2.239) 7.224 44.114 ( 6.868 0.002 -2.239) 7.224 44.218 ( -3.986 -0.612 1.889) 4.453 44.218 ( 3.986 0.612 1.889) 4.453 48.411 ( -3.714 -0.496 -1.463) 4.022 48.411 ( 3.714 0.496 -1.463) 4.023 49.605 ( -3.711 -1.418 5.417) 6.718 49.605 ( 3.711 1.418 5.417) 6.718 50.171 ( -0.469 -7.428 3.009) 8.028 50.171 ( 0.469 7.428 3.009) 8.028 50.459 ( -6.494 -7.806 -6.491) 12.051 50.459 ( 6.495 7.806 -6.491) 12.051 50.617 ( -6.231 -2.636 4.539) 8.147 50.617 ( 6.231 2.636 4.539) 8.147 50.897 ( -8.994 -0.429 -6.292) 10.985 50.897 ( 8.994 0.429 -6.292) 10.985 91.323 ( -0.002 -0.438 -0.339) 0.554 91.323 ( 0.002 0.438 -0.339) 0.554 91.409 ( -0.726 -0.069 -0.971) 1.215 91.409 ( 0.726 0.069 -0.971) 1.215 91.513 ( -1.111 -0.064 -0.416) 1.188 91.513 ( 1.111 0.064 -0.416) 1.188 91.621 ( -0.474 -0.910 -1.652) 1.945 91.621 ( 0.474 0.910 -1.652) 1.945 93.403 ( -3.877 -2.395 2.379) 5.140 93.403 ( 3.877 2.395 2.379) 5.140 93.722 ( -3.990 -2.536 -2.722) 5.455 93.722 ( 3.990 2.536 -2.722) 5.455 94.451 ( -0.937 -1.620 3.514) 3.981 94.451 ( 0.937 1.620 3.514) 3.981 94.719 ( -2.905 -2.202 0.535) 3.684 94.719 ( 2.905 2.202 0.535) 3.684 ======================= Grid point 315 (97/128) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 0.000 -23.749) 23.749 1.429 ( 0.000 0.000 23.749) 23.749 1.820 ( 0.000 0.000 -21.477) 21.477 1.820 ( 0.000 0.000 21.477) 21.477 2.494 ( 0.000 0.000 -4.958) 4.958 2.494 ( 0.000 0.000 4.958) 4.958 2.627 ( 0.000 0.000 -4.201) 4.201 2.627 ( 0.000 0.000 4.201) 4.201 3.060 ( 0.000 0.000 -2.534) 2.534 3.060 ( 0.000 0.000 2.534) 2.534 3.093 ( 0.000 0.000 -3.755) 3.755 3.093 ( 0.000 0.000 3.755) 3.755 3.323 ( 0.000 0.000 -1.819) 1.819 3.323 ( 0.000 0.000 1.819) 1.819 3.435 ( 0.000 0.000 -10.385) 10.385 3.435 ( 0.000 0.000 10.385) 10.385 4.324 ( 0.000 0.000 -44.216) 44.216 4.324 ( 0.000 0.000 44.216) 44.216 6.023 ( 0.000 0.000 -14.243) 14.243 6.023 ( 0.000 0.000 14.243) 14.243 6.660 ( 0.000 0.000 -3.960) 3.960 6.660 ( 0.000 0.000 3.960) 3.960 7.088 ( 0.000 0.000 -6.112) 6.112 7.088 ( 0.000 0.000 6.112) 6.112 7.293 ( 0.000 0.000 -0.378) 0.378 7.293 ( 0.000 0.000 0.378) 0.378 7.623 ( 0.000 0.000 -20.752) 20.752 7.623 ( 0.000 0.000 20.752) 20.752 8.052 ( 0.000 0.000 -0.360) 0.360 8.052 ( 0.000 0.000 0.360) 0.360 9.738 ( 0.000 0.000 -20.408) 20.408 9.738 ( 0.000 0.000 20.408) 20.408 15.413 ( 0.000 0.000 -2.409) 2.409 15.413 ( 0.000 0.000 2.409) 2.409 15.610 ( 0.000 0.000 -1.845) 1.845 15.610 ( 0.000 0.000 1.845) 1.845 15.820 ( 0.000 0.000 -3.256) 3.256 15.820 ( 0.000 0.000 3.256) 3.256 16.042 ( 0.000 0.000 -5.036) 5.036 16.042 ( 0.000 0.000 5.036) 5.036 16.187 ( 0.000 0.000 -2.795) 2.795 16.187 ( 0.000 0.000 2.795) 2.795 16.677 ( 0.000 0.000 -2.453) 2.453 16.677 ( 0.000 0.000 2.453) 2.453 18.957 ( 0.000 0.000 -0.441) 0.441 18.957 ( 0.000 0.000 0.441) 0.441 19.088 ( 0.000 0.000 -2.113) 2.113 19.088 ( 0.000 0.000 2.113) 2.113 33.701 ( 0.000 0.000 -2.055) 2.055 33.701 ( 0.000 0.000 2.055) 2.055 34.163 ( 0.000 0.000 -0.957) 0.957 34.163 ( 0.000 0.000 0.957) 0.957 35.764 ( 0.000 0.000 -0.309) 0.309 35.764 ( 0.000 0.000 0.309) 0.309 36.876 ( 0.000 0.000 -0.043) 0.043 36.876 ( 0.000 0.000 0.043) 0.043 42.377 ( 0.000 0.000 -1.247) 1.247 42.377 ( 0.000 0.000 1.247) 1.247 42.704 ( 0.000 0.000 -6.156) 6.156 42.704 ( 0.000 0.000 6.156) 6.156 42.789 ( 0.000 0.000 -4.871) 4.871 42.789 ( 0.000 0.000 4.871) 4.871 43.101 ( 0.000 0.000 -3.025) 3.025 43.101 ( 0.000 0.000 3.025) 3.025 43.485 ( 0.000 0.000 -0.520) 0.520 43.485 ( 0.000 0.000 0.520) 0.520 43.962 ( 0.000 0.000 -3.276) 3.276 43.962 ( 0.000 0.000 3.276) 3.276 50.372 ( 0.000 0.000 -7.180) 7.180 50.372 ( 0.000 0.000 7.180) 7.180 50.868 ( 0.000 0.000 -20.131) 20.131 50.868 ( 0.000 0.000 20.131) 20.131 51.264 ( 0.000 0.000 -8.352) 8.352 51.264 ( 0.000 0.000 8.352) 8.352 51.913 ( 0.000 0.000 -2.753) 2.753 51.913 ( 0.000 0.000 2.753) 2.753 53.417 ( 0.000 0.000 -64.794) 64.794 53.417 ( 0.000 0.000 64.794) 64.794 54.792 ( 0.000 0.000 -16.524) 16.524 54.792 ( 0.000 0.000 16.524) 16.524 91.422 ( 0.000 0.000 -0.131) 0.131 91.422 ( 0.000 0.000 0.131) 0.131 91.570 ( 0.000 0.000 -0.120) 0.120 91.570 ( 0.000 0.000 0.120) 0.120 91.834 ( 0.000 0.000 -2.599) 2.599 91.834 ( 0.000 0.000 2.599) 2.599 92.063 ( 0.000 0.000 -4.077) 4.077 92.063 ( 0.000 0.000 4.077) 4.077 93.268 ( 0.000 0.000 -0.997) 0.997 93.268 ( 0.000 0.000 0.997) 0.997 93.888 ( 0.000 0.000 -11.766) 11.766 93.888 ( 0.000 0.000 11.766) 11.766 94.580 ( 0.000 0.000 -9.927) 9.927 94.580 ( 0.000 0.000 9.927) 9.927 94.968 ( 0.000 0.000 -0.764) 0.764 94.968 ( 0.000 0.000 0.764) 0.764 ======================= Grid point 317 (98/128) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 10.162 0.000 -17.136) 19.923 1.550 ( 10.162 0.000 17.136) 19.923 1.864 ( 3.928 0.000 -17.307) 17.747 1.864 ( 3.928 0.000 17.307) 17.747 2.456 ( -2.342 0.000 -6.052) 6.490 2.456 ( -2.342 0.000 6.052) 6.490 2.694 ( 4.878 0.000 -2.032) 5.284 2.694 ( 4.878 0.000 2.032) 5.284 2.931 ( -9.279 0.000 -3.812) 10.032 2.931 ( -9.279 0.000 3.812) 10.032 3.089 ( -0.348 0.000 -2.917) 2.938 3.089 ( -0.348 0.000 2.917) 2.938 3.338 ( -1.692 0.000 -1.961) 2.590 3.338 ( -1.692 0.000 1.961) 2.590 3.519 ( 9.028 0.000 -5.591) 10.619 3.519 ( 9.028 0.000 5.591) 10.619 4.439 ( 10.659 0.000 -40.505) 41.884 4.439 ( 10.659 0.000 40.505) 41.884 5.951 ( -8.654 0.000 -16.398) 18.541 5.951 ( -8.654 0.000 16.398) 18.541 6.574 ( -6.406 0.000 -3.461) 7.281 6.574 ( -6.406 0.000 3.461) 7.281 7.048 ( -6.653 0.000 -4.227) 7.882 7.048 ( -6.653 0.000 4.227) 7.882 7.202 ( -0.195 0.000 -5.654) 5.657 7.202 ( -0.195 0.000 5.654) 5.657 7.786 ( 7.836 0.000 -11.128) 13.611 7.786 ( 7.836 0.000 11.128) 13.611 8.145 ( 10.653 0.000 -4.311) 11.492 8.145 ( 10.653 0.000 4.311) 11.492 9.601 ( -12.841 0.000 -19.019) 22.948 9.601 ( -12.841 0.000 19.019) 22.948 15.425 ( 1.142 0.000 -2.368) 2.629 15.425 ( 1.142 0.000 2.368) 2.629 15.594 ( -1.540 0.000 -1.876) 2.427 15.594 ( -1.540 0.000 1.876) 2.427 15.832 ( 1.062 0.000 -3.128) 3.303 15.832 ( 1.062 0.000 3.128) 3.303 16.033 ( -0.804 0.000 -4.644) 4.713 16.033 ( -0.804 0.000 4.644) 4.713 16.220 ( 3.138 0.000 -2.770) 4.185 16.220 ( 3.138 0.000 2.770) 4.185 16.641 ( -3.433 0.000 -2.539) 4.270 16.641 ( -3.433 0.000 2.539) 4.270 18.952 ( -0.474 0.000 -0.309) 0.566 18.952 ( -0.474 0.000 0.309) 0.566 19.053 ( -3.006 0.000 -2.363) 3.824 19.053 ( -3.006 0.000 2.363) 3.824 33.689 ( -1.036 0.000 -1.418) 1.757 33.689 ( -1.036 0.000 1.418) 1.757 34.160 ( -0.240 0.000 -0.773) 0.810 34.160 ( -0.240 0.000 0.773) 0.810 35.812 ( 4.133 0.000 -0.463) 4.158 35.812 ( 4.133 0.000 0.463) 4.158 36.867 ( -0.809 0.000 -0.093) 0.814 36.867 ( -0.809 0.000 0.093) 0.814 42.434 ( 4.631 0.000 -1.558) 4.886 42.434 ( 4.631 0.000 1.558) 4.886 42.688 ( -0.788 0.000 -6.989) 7.034 42.688 ( -0.788 0.000 6.989) 7.034 42.817 ( 2.209 0.000 -4.541) 5.050 42.817 ( 2.209 0.000 4.541) 5.050 43.131 ( 2.934 0.000 -2.293) 3.723 43.131 ( 2.934 0.000 2.293) 3.723 43.456 ( -2.617 0.000 -1.091) 2.835 43.456 ( -2.617 0.000 1.091) 2.835 43.913 ( -4.583 0.000 -2.494) 5.218 43.913 ( -4.583 0.000 2.494) 5.218 50.498 ( 11.087 0.000 -5.522) 12.386 50.498 ( 11.087 0.000 5.522) 12.386 50.761 ( -8.487 0.000 -12.871) 15.417 50.761 ( -8.487 0.000 12.871) 15.417 51.309 ( 3.660 0.000 -4.837) 6.065 51.309 ( 3.660 0.000 4.837) 6.065 51.861 ( -4.666 0.000 -1.651) 4.950 51.861 ( -4.666 0.000 1.651) 4.950 53.385 ( -3.830 0.000 -59.918) 60.040 53.385 ( -3.830 0.000 59.918) 60.040 54.817 ( 2.547 0.000 -20.970) 21.124 54.817 ( 2.547 0.000 20.970) 21.124 91.439 ( 1.509 0.000 -0.273) 1.533 91.439 ( 1.509 0.000 0.273) 1.533 91.565 ( -0.535 0.000 -0.342) 0.635 91.565 ( -0.535 0.000 0.342) 0.635 91.850 ( 1.595 0.000 -2.665) 3.106 91.850 ( 1.595 0.000 2.665) 3.106 92.048 ( -1.476 0.000 -3.930) 4.198 92.048 ( -1.476 0.000 3.930) 4.198 93.366 ( 8.995 0.000 -2.087) 9.234 93.366 ( 8.995 0.000 2.087) 9.234 93.893 ( 0.425 0.000 -10.819) 10.827 93.893 ( 0.425 0.000 10.819) 10.827 94.574 ( -0.495 0.000 -9.400) 9.413 94.574 ( -0.495 0.000 9.400) 9.413 94.897 ( -6.608 0.000 -1.214) 6.719 94.897 ( -6.608 0.000 1.214) 6.719 ======================= Grid point 319 (99/128) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 9.430 0.000 -5.490) 10.912 1.758 ( 9.430 0.000 5.490) 10.912 1.936 ( 2.294 0.000 -8.012) 8.334 1.936 ( 2.294 0.000 8.012) 8.334 2.434 ( 0.448 0.000 -13.949) 13.956 2.434 ( 0.448 0.000 13.949) 13.956 2.662 ( -9.183 0.000 -14.715) 17.345 2.662 ( -9.183 0.000 14.715) 17.345 2.866 ( 3.607 0.000 -2.659) 4.482 2.866 ( 3.607 0.000 2.659) 4.482 3.081 ( -0.359 0.000 -1.701) 1.739 3.081 ( -0.359 0.000 1.701) 1.739 3.314 ( 0.127 0.000 -0.254) 0.283 3.314 ( 0.127 0.000 0.254) 0.283 3.699 ( 7.491 0.000 -2.935) 8.045 3.699 ( 7.491 0.000 2.935) 8.045 4.721 ( 17.156 0.000 -34.580) 38.602 4.721 ( 17.156 0.000 34.580) 38.602 5.641 ( -21.082 0.000 -20.887) 29.676 5.641 ( -21.082 0.000 20.887) 29.676 6.493 ( -1.489 0.000 -2.162) 2.625 6.493 ( -1.489 0.000 2.162) 2.625 6.918 ( -4.790 0.000 -3.820) 6.127 6.918 ( -4.790 0.000 3.820) 6.127 7.247 ( 2.673 0.000 -2.638) 3.756 7.247 ( 2.673 0.000 2.638) 3.756 7.859 ( 1.023 0.000 -3.375) 3.526 7.859 ( 1.023 0.000 3.375) 3.526 8.452 ( 17.847 0.000 -11.527) 21.246 8.452 ( 17.847 0.000 11.527) 21.246 9.277 ( -18.225 0.000 -16.526) 24.602 9.277 ( -18.225 0.000 16.526) 24.602 15.456 ( 1.847 0.000 -2.180) 2.858 15.456 ( 1.847 0.000 2.180) 2.858 15.555 ( -2.154 0.000 -1.904) 2.875 15.555 ( -2.154 0.000 1.904) 2.875 15.855 ( 1.020 0.000 -2.302) 2.518 15.855 ( 1.020 0.000 2.302) 2.518 16.016 ( -0.760 0.000 -3.190) 3.280 16.016 ( -0.760 0.000 3.190) 3.280 16.302 ( 4.821 0.000 -2.669) 5.511 16.302 ( 4.821 0.000 2.669) 5.511 16.552 ( -5.103 0.000 -2.534) 5.698 16.552 ( -5.103 0.000 2.534) 5.698 18.941 ( -0.451 0.000 -0.032) 0.452 18.941 ( -0.451 0.000 0.032) 0.452 18.993 ( -2.449 0.000 -1.943) 3.126 18.993 ( -2.449 0.000 1.943) 3.126 33.669 ( -0.788 0.000 -0.508) 0.937 33.669 ( -0.788 0.000 0.508) 0.937 34.156 ( -0.214 0.000 -0.404) 0.457 34.156 ( -0.214 0.000 0.404) 0.457 35.895 ( 3.454 0.000 -0.884) 3.565 35.895 ( 3.454 0.000 0.884) 3.565 36.850 ( -0.782 0.000 -0.192) 0.806 36.850 ( -0.782 0.000 0.192) 0.806 42.505 ( 1.684 0.000 -2.006) 2.620 42.505 ( 1.684 0.000 2.006) 2.620 42.699 ( 1.791 0.000 -5.997) 6.259 42.699 ( 1.791 0.000 5.997) 6.259 42.862 ( 2.031 0.000 -3.558) 4.097 42.862 ( 2.031 0.000 3.558) 4.097 43.209 ( 4.318 0.000 -0.799) 4.392 43.209 ( 4.318 0.000 0.799) 4.392 43.398 ( -2.678 0.000 -1.355) 3.001 43.398 ( -2.678 0.000 1.355) 3.001 43.803 ( -5.556 0.000 -1.073) 5.659 43.803 ( -5.556 0.000 1.073) 5.659 50.549 ( -6.702 0.000 -1.528) 6.874 50.549 ( -6.702 0.000 1.528) 6.874 50.798 ( 11.978 0.000 -1.097) 12.028 50.798 ( 11.978 0.000 1.097) 12.028 51.393 ( 4.755 0.000 -2.449) 5.349 51.393 ( 4.755 0.000 2.449) 5.349 51.748 ( -6.354 0.000 -1.023) 6.436 51.748 ( -6.354 0.000 1.023) 6.436 53.267 ( -6.734 0.000 -38.166) 38.755 53.267 ( -6.734 0.000 38.166) 38.755 54.882 ( 3.291 0.000 -17.527) 17.833 54.882 ( 3.291 0.000 17.527) 17.833 91.471 ( 1.455 0.000 -0.432) 1.518 91.471 ( 1.455 0.000 0.432) 1.518 91.551 ( -0.722 0.000 -0.581) 0.927 91.551 ( -0.722 0.000 0.581) 0.927 91.894 ( 2.629 0.000 -2.850) 3.877 91.894 ( 2.629 0.000 2.850) 3.877 92.007 ( -2.556 0.000 -3.562) 4.384 92.007 ( -2.556 0.000 3.562) 4.384 93.576 ( 10.400 0.000 -2.388) 10.671 93.576 ( 10.400 0.000 2.388) 10.671 93.897 ( -0.232 0.000 -7.470) 7.474 93.897 ( -0.232 0.000 7.470) 7.474 94.569 ( 0.261 0.000 -7.458) 7.463 94.569 ( 0.261 0.000 7.458) 7.463 94.737 ( -8.314 0.000 -0.615) 8.336 94.737 ( -8.314 0.000 0.615) 8.336 ======================= Grid point 321 (100/128) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 -0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.474 ( -0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 -0.000) 0.000 2.513 ( -0.000 0.000 -0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 -0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 5.032 ( -0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.278 ( -0.000 0.000 -0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 8.737 ( -0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 8.987 ( -0.000 0.000 -0.000) 0.000 8.987 ( 0.000 0.000 -0.000) 0.000 15.485 ( -0.000 0.000 -0.000) 0.000 15.485 ( 0.000 0.000 0.000) 0.000 15.522 ( 0.000 0.000 0.000) 0.000 15.522 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 16.007 ( 0.000 0.000 0.000) 0.000 16.007 ( 0.000 0.000 0.000) 0.000 16.378 ( 0.000 0.000 0.000) 0.000 16.378 ( 0.000 0.000 0.000) 0.000 16.473 ( -0.000 0.000 -0.000) 0.000 16.473 ( 0.000 0.000 0.000) 0.000 18.937 ( 0.000 0.000 0.000) 0.000 18.937 ( 0.000 0.000 0.000) 0.000 18.967 ( 0.000 0.000 0.000) 0.000 18.967 ( 0.000 0.000 0.000) 0.000 33.661 ( 0.000 0.000 0.000) 0.000 33.661 ( 0.000 0.000 0.000) 0.000 34.153 ( 0.000 0.000 0.000) 0.000 34.153 ( 0.000 0.000 0.000) 0.000 35.931 ( 0.000 0.000 0.000) 0.000 35.931 ( 0.000 0.000 0.000) 0.000 36.841 ( 0.000 0.000 0.000) 0.000 36.841 ( 0.000 0.000 0.000) 0.000 42.516 ( 0.000 0.000 0.000) 0.000 42.516 ( 0.000 0.000 0.000) 0.000 42.724 ( 0.000 0.000 0.000) 0.000 42.724 ( 0.000 0.000 0.000) 0.000 42.885 ( 0.000 0.000 0.000) 0.000 42.885 ( 0.000 0.000 0.000) 0.000 43.263 ( 0.000 0.000 0.000) 0.000 43.263 ( 0.000 0.000 0.000) 0.000 43.368 ( 0.000 0.000 0.000) 0.000 43.368 ( 0.000 0.000 0.000) 0.000 43.737 ( 0.000 0.000 0.000) 0.000 43.737 ( 0.000 0.000 0.000) 0.000 50.473 ( 0.000 0.000 0.000) 0.000 50.473 ( 0.000 0.000 0.000) 0.000 50.938 ( 0.000 0.000 0.000) 0.000 50.938 ( 0.000 0.000 0.000) 0.000 51.470 ( 0.000 0.000 0.000) 0.000 51.470 ( 0.000 0.000 0.000) 0.000 51.652 ( 0.000 0.000 0.000) 0.000 51.652 ( -0.000 0.000 0.000) 0.000 53.186 ( 0.000 0.000 0.000) 0.000 53.186 ( 0.000 0.000 0.000) 0.000 54.919 ( 0.000 0.000 0.000) 0.000 54.919 ( 0.000 0.000 0.000) 0.000 91.488 ( 0.000 0.000 0.000) 0.000 91.488 ( 0.000 0.000 0.000) 0.000 91.542 ( 0.000 0.000 0.000) 0.000 91.542 ( 0.000 0.000 0.000) 0.000 91.950 ( -1.148 0.000 -3.156) 3.359 91.950 ( 1.148 0.000 -3.156) 3.359 91.951 ( -1.148 0.000 3.156) 3.359 91.951 ( 1.148 0.000 3.156) 3.359 93.702 ( 0.000 0.000 0.000) 0.000 93.702 ( 0.000 0.000 0.000) 0.000 93.887 ( -0.000 0.000 0.000) 0.000 93.887 ( 0.000 0.000 0.000) 0.000 94.599 ( 0.000 0.000 0.000) 0.000 94.599 ( 0.000 0.000 0.000) 0.000 94.613 ( -0.000 0.000 -0.000) 0.000 94.613 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 329 (101/128) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.000 5.396 -21.900) 22.555 1.483 ( 0.000 5.396 21.900) 22.555 1.820 ( 0.000 0.239 -21.452) 21.454 1.820 ( 0.000 0.239 21.452) 21.454 2.521 ( 0.000 2.607 -4.454) 5.160 2.521 ( 0.000 2.607 4.454) 5.160 2.643 ( 0.000 1.383 -2.824) 3.145 2.643 ( 0.000 1.383 2.824) 3.145 3.082 ( 0.000 2.139 -3.102) 3.768 3.082 ( 0.000 2.139 3.102) 3.768 3.086 ( 0.000 -0.634 -4.112) 4.161 3.086 ( 0.000 -0.634 4.112) 4.161 3.288 ( 0.000 -2.965 -4.960) 5.779 3.288 ( 0.000 -2.965 4.960) 5.779 3.459 ( 0.000 2.371 -9.845) 10.127 3.459 ( 0.000 2.371 9.845) 10.127 4.425 ( 0.000 9.407 -40.361) 41.443 4.425 ( 0.000 9.407 40.361) 41.443 6.019 ( 0.000 -0.541 -13.750) 13.761 6.019 ( 0.000 -0.541 13.750) 13.761 6.667 ( 0.000 0.778 -3.845) 3.923 6.667 ( 0.000 0.778 3.845) 3.923 7.106 ( 0.000 1.245 -2.179) 2.510 7.106 ( 0.000 1.245 2.179) 2.510 7.279 ( 0.000 -1.321 -1.481) 1.985 7.279 ( 0.000 -1.321 1.481) 1.985 7.627 ( 0.000 0.593 -15.153) 15.164 7.627 ( 0.000 0.593 15.153) 15.164 8.048 ( 0.000 -0.369 -0.517) 0.635 8.048 ( 0.000 -0.369 0.517) 0.635 9.615 ( 0.000 -11.859 -20.257) 23.472 9.615 ( 0.000 -11.859 20.257) 23.472 15.432 ( 0.000 1.849 -2.673) 3.250 15.432 ( 0.000 1.849 2.673) 3.250 15.631 ( 0.000 2.009 -2.206) 2.984 15.631 ( 0.000 2.009 2.206) 2.984 15.788 ( 0.000 -3.156 -3.236) 4.520 15.788 ( 0.000 -3.156 3.236) 4.520 16.006 ( 0.000 -3.612 -4.989) 6.160 16.006 ( 0.000 -3.612 4.989) 6.160 16.153 ( 0.000 -3.321 -2.835) 4.366 16.153 ( 0.000 -3.321 2.835) 4.366 16.648 ( 0.000 -2.863 -2.450) 3.768 16.648 ( 0.000 -2.863 2.450) 3.768 18.948 ( 0.000 -0.797 -0.438) 0.910 18.948 ( 0.000 -0.797 0.438) 0.910 19.093 ( 0.000 0.449 -1.733) 1.790 19.093 ( 0.000 0.449 1.733) 1.790 33.717 ( 0.000 1.620 -1.430) 2.161 33.717 ( 0.000 1.620 1.430) 2.161 34.235 ( 0.000 6.758 -1.622) 6.950 34.235 ( 0.000 6.758 1.622) 6.950 35.764 ( 0.000 0.045 -0.450) 0.452 35.764 ( 0.000 0.045 0.450) 0.452 36.889 ( 0.000 1.254 -1.284) 1.795 36.889 ( 0.000 1.254 1.284) 1.795 42.411 ( 0.000 3.400 -2.136) 4.015 42.411 ( 0.000 3.400 2.136) 4.015 42.746 ( 0.000 4.194 -6.404) 7.655 42.746 ( 0.000 4.194 6.404) 7.655 42.817 ( 0.000 2.784 -5.168) 5.870 42.817 ( 0.000 2.784 5.168) 5.870 43.131 ( 0.000 2.929 -2.815) 4.063 43.131 ( 0.000 2.929 2.815) 4.063 43.519 ( 0.000 3.486 -1.402) 3.757 43.519 ( 0.000 3.486 1.402) 3.757 43.993 ( 0.000 3.089 -3.025) 4.324 43.993 ( 0.000 3.089 3.025) 4.324 50.353 ( 0.000 -1.986 -6.883) 7.164 50.353 ( 0.000 -1.986 6.883) 7.164 50.826 ( 0.000 -4.355 -19.153) 19.642 50.826 ( 0.000 -4.355 19.153) 19.642 51.204 ( 0.000 -5.957 -8.308) 10.223 51.204 ( 0.000 -5.957 8.308) 10.223 51.840 ( 0.000 -7.492 -2.956) 8.054 51.840 ( 0.000 -7.492 2.956) 8.054 53.233 ( 0.000 -18.147 -61.132) 63.769 53.233 ( 0.000 -18.147 61.132) 63.769 54.330 ( 0.000 -43.030 -36.037) 56.127 54.330 ( 0.000 -43.030 36.037) 56.127 91.418 ( 0.000 -0.370 -0.670) 0.765 91.418 ( 0.000 -0.370 0.670) 0.765 91.565 ( 0.000 -0.528 -0.362) 0.640 91.565 ( 0.000 -0.528 0.362) 0.640 91.809 ( 0.000 -2.425 -2.860) 3.750 91.809 ( 0.000 -2.425 2.860) 3.750 92.005 ( 0.000 -6.013 -4.157) 7.310 92.005 ( 0.000 -6.013 4.157) 7.310 93.131 ( 0.000 -10.061 -14.249) 17.443 93.131 ( 0.000 -10.061 14.249) 17.443 93.908 ( 0.000 1.924 -11.173) 11.337 93.908 ( 0.000 1.924 11.173) 11.337 94.501 ( 0.000 -4.863 -3.758) 6.146 94.501 ( 0.000 -4.863 3.758) 6.146 95.177 ( 0.000 14.512 -7.358) 16.271 95.177 ( 0.000 14.512 7.358) 16.271 ======================= Grid point 331 (102/128) ======================= q-point: ( 0.17 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 9.743 5.015 -15.107) 18.663 1.600 ( 9.743 5.015 15.107) 18.663 1.873 ( 4.947 1.036 -16.809) 17.553 1.873 ( 4.947 1.036 16.809) 17.553 2.480 ( -2.746 2.269 -5.798) 6.805 2.480 ( -2.746 2.269 5.798) 6.805 2.676 ( 1.470 -1.427 -3.366) 3.941 2.676 ( 1.470 -1.427 3.366) 3.941 2.967 ( -6.974 3.151 -5.449) 9.395 2.967 ( -6.974 3.151 5.449) 9.395 3.082 ( -0.231 -0.435 -3.850) 3.881 3.082 ( -0.231 -0.435 3.850) 3.881 3.340 ( 0.472 0.205 -4.272) 4.303 3.340 ( 0.472 0.205 4.272) 4.303 3.529 ( 8.178 1.241 -5.650) 10.018 3.529 ( 8.178 1.241 5.650) 10.018 4.525 ( 9.489 8.117 -37.555) 39.576 4.525 ( 9.489 8.117 37.555) 39.576 5.941 ( -9.125 -1.207 -15.723) 18.220 5.941 ( -9.125 -1.207 15.723) 18.220 6.571 ( -6.832 0.131 -3.096) 7.502 6.571 ( -6.832 0.131 3.096) 7.502 7.058 ( -6.288 0.522 -5.718) 8.515 7.058 ( -6.288 0.522 5.718) 8.515 7.242 ( 1.540 3.850 -4.892) 6.413 7.242 ( 1.540 3.850 4.892) 6.413 7.767 ( 7.624 -1.829 -9.709) 12.479 7.767 ( 7.624 -1.829 9.709) 12.479 8.128 ( 9.091 -1.616 -4.007) 10.065 8.128 ( 9.091 -1.616 4.007) 10.065 9.488 ( -11.902 -10.901 -19.049) 24.967 9.488 ( -11.902 -10.901 19.049) 24.967 15.442 ( 0.934 1.678 -2.580) 3.216 15.442 ( 0.934 1.678 2.580) 3.216 15.615 ( -1.370 2.091 -2.158) 3.302 15.615 ( -1.370 2.091 2.158) 3.302 15.801 ( 1.132 -3.048 -3.115) 4.503 15.801 ( 1.132 -3.048 3.115) 4.503 15.996 ( -0.814 -3.611 -4.637) 5.933 15.996 ( -0.814 -3.611 4.637) 5.933 16.187 ( 3.170 -3.292 -2.807) 5.364 16.187 ( 3.170 -3.292 2.807) 5.364 16.612 ( -3.454 -2.868 -2.527) 5.152 16.612 ( -3.454 -2.868 2.527) 5.152 18.943 ( -0.433 -0.744 -0.310) 0.915 18.943 ( -0.433 -0.744 0.310) 0.915 19.061 ( -2.759 0.725 -1.917) 3.437 19.061 ( -2.759 0.725 1.917) 3.437 33.706 ( -0.887 1.779 -0.997) 2.224 33.706 ( -0.887 1.779 0.997) 2.224 34.229 ( -0.556 6.461 -1.276) 6.610 34.229 ( -0.556 6.461 1.276) 6.610 35.810 ( 3.905 -0.222 -0.253) 3.920 35.810 ( 3.905 -0.222 0.253) 3.920 36.880 ( -0.741 1.323 -1.154) 1.906 36.880 ( -0.741 1.323 1.154) 1.906 42.463 ( 4.125 2.979 -2.402) 5.627 42.463 ( 4.125 2.979 2.402) 5.627 42.736 ( -0.120 4.749 -6.612) 8.142 42.736 ( -0.120 4.749 6.612) 8.142 42.846 ( 2.310 2.909 -4.885) 6.137 42.846 ( 2.310 2.909 4.885) 6.137 43.161 ( 2.999 2.981 -2.111) 4.727 43.161 ( 2.999 2.981 2.111) 4.727 43.493 ( -2.360 3.752 -1.882) 4.815 43.493 ( -2.360 3.752 1.882) 4.815 43.944 ( -4.660 3.009 -2.330) 6.016 43.944 ( -4.660 3.009 2.330) 6.016 50.452 ( 7.871 -4.829 -5.941) 10.981 50.452 ( 7.871 -4.829 5.941) 10.981 50.721 ( -7.320 -3.968 -11.712) 14.370 50.721 ( -7.320 -3.968 11.712) 14.370 51.247 ( 3.365 -6.155 -5.069) 8.655 51.247 ( 3.365 -6.155 5.069) 8.655 51.784 ( -4.910 -7.886 -1.538) 9.416 51.784 ( -4.910 -7.886 1.538) 9.416 53.116 ( -10.162 -25.669 -46.417) 54.006 53.116 ( -10.162 -25.669 46.417) 54.006 54.483 ( 12.649 -31.460 -23.657) 41.344 54.483 ( 12.649 -31.460 23.657) 41.344 91.433 ( 1.303 -0.580 -0.783) 1.627 91.433 ( 1.303 -0.580 0.783) 1.627 91.560 ( -0.444 -0.455 -0.730) 0.968 91.560 ( -0.444 -0.455 0.730) 0.968 91.817 ( 0.823 -3.244 -2.767) 4.343 91.817 ( 0.823 -3.244 2.767) 4.343 92.002 ( -0.332 -4.640 -4.230) 6.288 92.002 ( -0.332 -4.640 4.230) 6.288 93.231 ( 9.245 -10.083 -13.064) 18.916 93.231 ( 9.245 -10.083 13.064) 18.916 93.923 ( 1.531 1.934 -10.679) 10.960 93.923 ( 1.531 1.934 10.679) 10.960 94.458 ( -4.335 -5.905 -3.106) 7.956 94.458 ( -4.335 -5.905 3.106) 7.956 95.125 ( -4.639 14.840 -6.895) 17.009 95.125 ( -4.639 14.840 6.895) 17.009 ======================= Grid point 333 (103/128) ======================= q-point: ( 0.33 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 8.602 3.684 -5.551) 10.880 1.795 ( 8.602 3.684 5.551) 10.880 1.972 ( 3.628 3.550 -8.268) 9.702 1.972 ( 3.628 3.550 8.268) 9.702 2.442 ( -0.972 0.875 -14.308) 14.368 2.442 ( -0.972 0.875 14.308) 14.368 2.629 ( -5.564 -2.438 -11.382) 12.902 2.629 ( -5.564 -2.438 11.382) 12.902 2.908 ( 0.886 3.530 -3.797) 5.259 2.908 ( 0.886 3.530 3.797) 5.259 3.083 ( 0.364 0.307 -2.743) 2.784 3.083 ( 0.364 0.307 2.743) 2.784 3.327 ( -0.546 1.315 -3.478) 3.758 3.327 ( -0.546 1.315 3.478) 3.758 3.708 ( 7.734 0.877 -3.120) 8.385 3.708 ( 7.734 0.877 3.120) 8.385 4.783 ( 16.049 5.866 -32.370) 36.603 4.783 ( 16.049 5.866 32.370) 36.603 5.633 ( -20.398 -0.830 -20.225) 28.737 5.633 ( -20.398 -0.830 20.225) 28.737 6.485 ( -1.713 -0.152 -2.077) 2.697 6.485 ( -1.713 -0.152 2.077) 2.697 6.934 ( -4.854 1.112 -4.495) 6.708 6.934 ( -4.854 1.112 4.495) 6.708 7.301 ( 2.888 5.101 -4.201) 7.212 7.301 ( 2.888 5.101 4.201) 7.212 7.846 ( 1.347 -1.314 -3.207) 3.718 7.846 ( 1.347 -1.314 3.207) 3.718 8.400 ( 16.248 -5.099 -11.846) 20.744 8.400 ( 16.248 -5.099 11.846) 20.744 9.187 ( -16.908 -8.703 -16.576) 25.227 9.187 ( -16.908 -8.703 16.576) 25.227 15.465 ( 1.220 1.032 -2.189) 2.710 15.465 ( 1.220 1.032 2.189) 2.710 15.584 ( -1.512 2.723 -2.001) 3.703 15.584 ( -1.512 2.723 2.001) 3.703 15.825 ( 1.073 -2.942 -2.353) 3.917 15.825 ( 1.073 -2.942 2.353) 3.917 15.979 ( -0.812 -3.676 -3.249) 4.973 15.979 ( -0.812 -3.676 3.249) 4.973 16.270 ( 4.940 -3.151 -2.703) 6.452 16.270 ( 4.940 -3.151 2.703) 6.452 16.522 ( -5.228 -2.987 -2.542) 6.536 16.522 ( -5.228 -2.987 2.542) 6.536 18.934 ( -0.436 -0.642 -0.062) 0.779 18.934 ( -0.436 -0.642 0.062) 0.779 19.005 ( -2.283 1.102 -1.659) 3.029 19.005 ( -2.283 1.102 1.659) 3.029 33.689 ( -0.706 1.991 -0.351) 2.142 33.689 ( -0.706 1.991 0.351) 2.142 34.218 ( -0.445 5.979 -0.811) 6.050 34.218 ( -0.445 5.979 0.811) 6.050 35.889 ( 3.302 -0.617 -0.705) 3.433 35.889 ( 3.302 -0.617 0.705) 3.433 36.864 ( -0.718 1.455 -0.846) 1.830 36.864 ( -0.718 1.455 0.846) 1.830 42.524 ( 1.406 2.222 -2.519) 3.641 42.524 ( 1.406 2.222 2.519) 3.641 42.761 ( 2.260 5.961 -5.295) 8.287 42.761 ( 2.260 5.961 5.295) 8.287 42.893 ( 2.172 3.100 -4.340) 5.759 42.893 ( 2.172 3.100 4.340) 5.759 43.242 ( 4.576 3.247 -0.627) 5.646 43.242 ( 4.576 3.247 0.627) 5.646 43.438 ( -2.702 4.005 -2.134) 5.281 43.438 ( -2.702 4.005 2.134) 5.281 43.832 ( -5.635 2.831 -1.133) 6.407 43.832 ( -5.635 2.831 1.133) 6.407 50.442 ( -6.891 -11.227 -2.243) 13.363 50.442 ( -6.891 -11.227 2.243) 13.363 50.780 ( 10.760 -1.767 -3.722) 11.522 50.780 ( 10.760 -1.767 3.722) 11.522 51.319 ( 3.819 -7.186 -2.763) 8.594 51.319 ( 3.819 -7.186 2.763) 8.594 51.670 ( -6.078 -7.915 -0.725) 10.006 51.670 ( -6.078 -7.915 0.725) 10.006 52.898 ( -9.926 -32.312 -26.187) 42.759 52.898 ( -9.926 -32.312 26.187) 42.759 54.724 ( 9.570 -17.743 -24.132) 31.445 54.724 ( 9.570 -17.743 24.132) 31.445 91.460 ( 1.175 -1.025 -1.055) 1.883 91.460 ( 1.175 -1.025 1.055) 1.883 91.550 ( -0.547 -0.278 -1.361) 1.493 91.550 ( -0.547 -0.278 1.361) 1.493 91.838 ( 1.089 -4.997 -2.660) 5.764 91.838 ( 1.089 -4.997 2.660) 5.764 91.991 ( -0.710 -1.961 -4.182) 4.674 91.991 ( -0.710 -1.961 4.182) 4.674 93.445 ( 10.340 -9.108 -10.227) 17.160 93.445 ( 10.340 -9.108 10.227) 17.160 93.976 ( 4.085 2.332 -8.353) 9.586 93.976 ( 4.085 2.332 8.353) 9.586 94.328 ( -8.483 -8.874 -1.392) 12.354 94.328 ( -8.483 -8.874 1.392) 12.354 95.027 ( -4.181 15.328 -6.643) 17.220 95.027 ( -4.181 15.328 6.643) 17.220 ======================= Grid point 335 (104/128) ======================= q-point: (-0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -0.000 2.654 -0.105) 2.656 1.896 ( 0.000 2.654 0.105) 2.656 2.004 ( 0.000 4.947 -6.409) 8.096 2.004 ( 0.000 4.947 6.409) 8.096 2.429 ( 0.000 -2.450 -18.534) 18.695 2.429 ( -0.000 -2.450 18.534) 18.695 2.559 ( -0.000 2.706 -13.468) 13.737 2.559 ( 0.000 2.706 13.468) 13.737 2.927 ( 0.000 1.609 -0.452) 1.671 2.927 ( 0.000 1.609 0.452) 1.671 3.089 ( 0.000 1.096 -1.922) 2.212 3.089 ( 0.000 1.096 1.922) 2.212 3.325 ( 0.000 0.251 -1.487) 1.508 3.325 ( 0.000 0.251 1.487) 1.508 3.791 ( 0.000 1.115 -0.761) 1.350 3.791 ( 0.000 1.115 0.761) 1.350 5.090 ( 0.000 5.249 -5.858) 7.866 5.090 ( 0.000 5.249 5.858) 7.866 5.271 ( -0.000 -0.431 -13.249) 13.256 5.271 ( -0.000 -0.431 13.249) 13.256 6.473 ( 0.000 -0.378 -1.526) 1.572 6.473 ( 0.000 -0.378 1.526) 1.572 6.883 ( 0.000 0.979 -0.145) 0.989 6.883 ( 0.000 0.979 0.145) 0.989 7.333 ( 0.000 5.251 -3.801) 6.482 7.333 ( 0.000 5.251 3.801) 6.482 7.856 ( 0.000 -0.995 -0.242) 1.024 7.856 ( 0.000 -0.995 0.242) 1.024 8.655 ( 0.000 -8.149 -13.060) 15.394 8.655 ( 0.000 -8.149 13.060) 15.394 8.925 ( 0.000 -5.939 -8.854) 10.662 8.925 ( -0.000 -5.939 8.854) 10.662 15.480 ( 0.000 0.259 -1.389) 1.413 15.480 ( 0.000 0.259 1.389) 1.413 15.566 ( 0.000 3.529 -1.516) 3.841 15.566 ( 0.000 3.529 1.516) 3.841 15.837 ( 0.000 -2.890 -0.214) 2.897 15.837 ( 0.000 -2.890 0.214) 2.897 15.969 ( 0.000 -3.749 -0.271) 3.759 15.969 ( 0.000 -3.749 0.271) 3.759 16.350 ( 0.000 -2.830 -0.000) 2.830 16.350 ( 0.000 -2.830 0.000) 2.830 16.439 ( -0.000 -3.312 -0.041) 3.313 16.439 ( 0.000 -3.312 0.041) 3.313 18.929 ( 0.000 -0.605 -0.359) 0.703 18.929 ( 0.000 -0.605 0.359) 0.703 18.981 ( 0.000 1.235 -1.084) 1.643 18.981 ( 0.000 1.235 1.084) 1.643 33.682 ( 0.000 2.061 -0.019) 2.061 33.682 ( 0.000 2.061 0.019) 2.061 34.213 ( 0.000 5.781 -0.647) 5.817 34.213 ( 0.000 5.781 0.647) 5.817 35.923 ( 0.000 -0.763 -0.163) 0.780 35.923 ( 0.000 -0.763 0.163) 0.780 36.857 ( 0.000 1.518 -0.610) 1.636 36.857 ( 0.000 1.518 0.610) 1.636 42.533 ( 0.000 2.146 -2.163) 3.046 42.533 ( 0.000 2.146 2.163) 3.046 42.790 ( -0.000 6.227 -1.353) 6.372 42.790 ( 0.000 6.227 1.353) 6.372 42.918 ( 0.000 3.294 -2.089) 3.900 42.918 ( 0.000 3.294 2.089) 3.900 43.302 ( 0.000 3.795 -0.616) 3.845 43.302 ( 0.000 3.795 0.616) 3.845 43.406 ( 0.000 3.644 -0.089) 3.645 43.406 ( 0.000 3.644 0.089) 3.645 43.764 ( 0.000 2.751 -1.017) 2.933 43.764 ( 0.000 2.751 1.017) 2.933 50.361 ( 0.000 -11.969 -1.153) 12.024 50.361 ( 0.000 -11.969 1.153) 12.024 50.913 ( 0.000 -2.441 -2.219) 3.299 50.913 ( 0.000 -2.441 2.219) 3.299 51.377 ( 0.000 -8.975 -0.957) 9.026 51.377 ( 0.000 -8.975 0.957) 9.026 51.585 ( -0.000 -6.937 -0.058) 6.938 51.585 ( 0.000 -6.937 0.058) 6.938 52.786 ( 0.000 -33.968 -8.346) 34.978 52.786 ( 0.000 -33.968 8.346) 34.978 54.824 ( 0.000 -13.034 -26.355) 29.402 54.824 ( 0.000 -13.034 26.355) 29.402 91.473 ( 0.000 -1.312 -1.216) 1.789 91.473 ( 0.000 -1.312 1.216) 1.789 91.543 ( 0.000 -0.121 -1.617) 1.622 91.543 ( 0.000 -0.121 1.617) 1.622 91.851 ( 0.000 -6.181 -2.564) 6.692 91.851 ( 0.000 -6.181 2.564) 6.692 91.982 ( 0.000 -0.379 -4.058) 4.075 91.982 ( 0.000 -0.379 4.058) 4.075 93.563 ( 0.000 -7.658 -6.752) 10.210 93.563 ( 0.000 -7.658 6.752) 10.210 94.067 ( 0.000 10.053 -3.019) 10.496 94.067 ( 0.000 10.053 3.019) 10.496 94.182 ( 0.000 -18.558 -0.622) 18.569 94.182 ( 0.000 -18.558 0.622) 18.569 94.983 ( 0.000 15.418 -6.810) 16.855 94.983 ( 0.000 15.418 6.810) 16.855 ======================= Grid point 343 (105/128) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 9.693 -17.713) 20.192 1.635 ( 0.000 9.693 17.713) 20.192 1.846 ( 0.000 2.995 -19.100) 19.333 1.846 ( 0.000 2.995 19.100) 19.333 2.592 ( 0.000 4.405 -3.288) 5.497 2.592 ( 0.000 4.405 3.288) 5.497 2.668 ( 0.000 0.847 -0.390) 0.932 2.668 ( 0.000 0.847 0.390) 0.932 3.071 ( 0.000 -0.783 -5.851) 5.903 3.071 ( 0.000 -0.783 5.851) 5.903 3.140 ( 0.000 3.588 -4.569) 5.809 3.140 ( 0.000 3.588 4.569) 5.809 3.233 ( 0.000 -2.099 -3.661) 4.221 3.233 ( 0.000 -2.099 3.661) 4.221 3.523 ( 0.000 4.004 -8.309) 9.223 3.523 ( 0.000 4.004 8.309) 9.223 4.655 ( 0.000 12.825 -31.761) 34.253 4.655 ( 0.000 12.825 31.761) 34.253 5.988 ( 0.000 -2.976 -12.169) 12.527 5.988 ( 0.000 -2.976 12.169) 12.527 6.694 ( 0.000 1.965 -3.694) 4.184 6.694 ( 0.000 1.965 3.694) 4.184 7.111 ( 0.000 -1.276 -6.702) 6.822 7.111 ( 0.000 -1.276 6.702) 6.822 7.248 ( 0.000 -1.605 -2.714) 3.153 7.248 ( 0.000 -1.605 2.714) 3.153 7.652 ( 0.000 1.949 -9.967) 10.155 7.652 ( 0.000 1.949 9.967) 10.155 8.041 ( 0.000 -0.211 -0.825) 0.851 8.041 ( 0.000 -0.211 0.825) 0.851 9.310 ( 0.000 -17.746 -21.003) 27.497 9.310 ( 0.000 -17.746 21.003) 27.497 15.478 ( 0.000 2.437 -3.196) 4.019 15.478 ( 0.000 2.437 3.196) 4.019 15.685 ( 0.000 3.322 -2.810) 4.351 15.685 ( 0.000 3.322 2.810) 4.351 15.705 ( 0.000 -4.852 -3.127) 5.773 15.705 ( 0.000 -4.852 3.127) 5.773 15.906 ( 0.000 -6.137 -4.795) 7.789 15.906 ( 0.000 -6.137 4.795) 7.789 16.060 ( 0.000 -5.923 -2.916) 6.601 16.060 ( 0.000 -5.923 2.916) 6.601 16.567 ( 0.000 -5.207 -2.389) 5.729 16.567 ( 0.000 -5.207 2.389) 5.729 18.930 ( 0.000 -0.903 -0.628) 1.100 18.930 ( 0.000 -0.903 0.628) 1.100 19.103 ( 0.000 0.590 -0.887) 1.065 19.103 ( 0.000 0.590 0.887) 1.065 33.766 ( 0.000 3.240 -0.519) 3.282 33.766 ( 0.000 3.240 0.519) 3.282 34.400 ( 0.000 9.127 -3.062) 9.627 34.400 ( 0.000 9.127 3.062) 9.627 35.766 ( 0.000 0.108 -0.847) 0.854 35.766 ( 0.000 0.108 0.847) 0.854 36.927 ( 0.000 2.601 -2.344) 3.501 36.927 ( 0.000 2.601 2.344) 3.501 42.503 ( 0.000 5.587 -2.437) 6.096 42.503 ( 0.000 5.587 2.437) 6.096 42.868 ( 0.000 8.084 -6.639) 10.461 42.868 ( 0.000 8.084 6.639) 10.461 42.901 ( 0.000 5.863 -5.252) 7.872 42.901 ( 0.000 5.863 5.252) 7.872 43.214 ( 0.000 5.337 -2.292) 5.808 43.214 ( 0.000 5.337 2.292) 5.808 43.622 ( 0.000 6.865 -3.039) 7.508 43.622 ( 0.000 6.865 3.039) 7.508 44.079 ( 0.000 5.427 -2.310) 5.898 44.079 ( 0.000 5.427 2.310) 5.898 50.296 ( 0.000 -3.736 -5.957) 7.032 50.296 ( 0.000 -3.736 5.957) 7.032 50.685 ( 0.000 -10.510 -15.601) 18.811 50.685 ( 0.000 -10.510 15.601) 18.811 51.033 ( 0.000 -11.239 -8.217) 13.923 51.033 ( 0.000 -11.239 8.217) 13.923 51.611 ( 0.000 -15.845 -3.087) 16.142 51.611 ( 0.000 -15.845 3.087) 16.142 52.734 ( 0.000 -31.196 -51.156) 59.917 52.734 ( 0.000 -31.196 51.156) 59.917 53.313 ( 0.000 -53.915 -48.328) 72.405 53.313 ( 0.000 -53.915 48.328) 72.405 91.408 ( 0.000 -0.597 -1.192) 1.334 91.408 ( 0.000 -0.597 1.192) 1.334 91.551 ( 0.000 -0.871 -0.501) 1.005 91.551 ( 0.000 -0.871 0.501) 1.005 91.745 ( 0.000 -3.788 -3.138) 4.919 91.745 ( 0.000 -3.788 3.138) 4.919 91.837 ( 0.000 -10.071 -5.420) 11.436 91.837 ( 0.000 -10.071 5.420) 11.436 92.997 ( 0.000 -2.512 -16.969) 17.154 92.997 ( 0.000 -2.512 16.969) 17.154 93.954 ( 0.000 2.466 -9.747) 10.054 93.954 ( 0.000 2.466 9.747) 10.054 94.417 ( 0.000 -3.806 -4.929) 6.227 94.417 ( 0.000 -3.806 4.929) 6.227 95.390 ( 0.000 5.750 -10.265) 11.766 95.390 ( 0.000 5.750 10.265) 11.766 ======================= Grid point 345 (106/128) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 8.404 8.984 -9.254) 15.394 1.742 ( 8.404 8.984 9.254) 15.394 1.915 ( 6.998 3.571 -12.263) 14.564 1.915 ( 6.998 3.571 12.263) 14.564 2.540 ( -3.724 3.602 -4.779) 7.048 2.540 ( -3.724 3.602 4.779) 7.048 2.651 ( -2.569 -0.834 -3.585) 4.489 2.651 ( -2.569 -0.834 3.585) 4.489 3.020 ( -3.728 1.374 -5.214) 6.555 3.020 ( -3.728 1.374 5.214) 6.555 3.096 ( -0.368 2.494 -3.410) 4.241 3.096 ( -0.368 2.494 3.410) 4.241 3.347 ( 4.475 0.655 -4.190) 6.166 3.347 ( 4.475 0.655 4.190) 6.166 3.570 ( 5.857 2.804 -5.789) 8.699 3.570 ( 5.857 2.804 5.789) 8.699 4.725 ( 6.915 11.220 -30.128) 32.885 4.725 ( 6.915 11.220 30.128) 32.885 5.897 ( -9.631 -3.346 -13.684) 17.065 5.897 ( -9.631 -3.346 13.684) 17.065 6.595 ( -6.594 2.322 -2.874) 7.559 6.595 ( -6.594 2.322 2.874) 7.559 7.059 ( -5.130 -0.277 -6.861) 8.571 7.059 ( -5.130 -0.277 6.861) 8.571 7.319 ( 5.713 2.628 -2.237) 6.675 7.319 ( 5.713 2.628 2.237) 6.675 7.727 ( 5.610 -1.652 -7.905) 9.833 7.727 ( 5.610 -1.652 7.905) 9.833 8.089 ( 5.333 -1.989 -3.328) 6.593 8.089 ( 5.333 -1.989 3.328) 6.593 9.207 ( -9.748 -16.468 -19.849) 27.572 9.207 ( -9.748 -16.468 19.849) 27.572 15.486 ( 0.617 2.436 -3.000) 3.914 15.486 ( 0.617 2.436 3.000) 3.914 15.665 ( -1.180 1.779 -1.807) 2.797 15.665 ( -1.180 1.779 1.807) 2.797 15.725 ( 1.248 -3.413 -2.276) 4.288 15.725 ( 1.248 -3.413 2.276) 4.288 15.897 ( -0.829 -6.116 -4.538) 7.661 15.897 ( -0.829 -6.116 4.538) 7.661 16.095 ( 3.308 -5.791 -2.862) 7.257 16.095 ( 3.308 -5.791 2.862) 7.257 16.531 ( -3.477 -5.191 -2.450) 6.711 16.531 ( -3.477 -5.191 2.450) 6.711 18.927 ( -0.296 -0.815 -0.568) 1.037 18.927 ( -0.296 -0.815 0.568) 1.037 19.078 ( -2.259 0.911 -1.010) 2.637 19.078 ( -2.259 0.911 1.010) 2.637 33.758 ( -0.634 3.384 -0.332) 3.459 33.758 ( -0.634 3.384 0.332) 3.459 34.389 ( -0.932 9.036 -2.488) 9.418 34.389 ( -0.932 9.036 2.488) 9.418 35.804 ( 3.351 -0.277 -0.302) 3.376 35.804 ( 3.351 -0.277 0.302) 3.376 36.920 ( -0.606 2.674 -2.066) 3.433 36.920 ( -0.606 2.674 2.066) 3.433 42.548 ( 3.538 5.460 -2.605) 7.008 42.548 ( 3.538 5.460 2.605) 7.008 42.869 ( 1.047 8.371 -4.767) 9.690 42.869 ( 1.047 8.371 4.767) 9.690 42.933 ( 2.383 6.052 -4.278) 7.785 42.933 ( 2.383 6.052 4.278) 7.785 43.245 ( 3.136 5.399 -1.619) 6.450 43.245 ( 3.136 5.399 1.619) 6.450 43.601 ( -2.047 6.948 -3.344) 7.978 43.601 ( -2.047 6.948 3.344) 7.978 44.027 ( -4.880 5.286 -1.802) 7.416 44.027 ( -4.880 5.286 1.802) 7.416 50.288 ( -4.592 -12.483 -6.228) 14.687 50.288 ( -4.592 -12.483 6.228) 14.687 50.613 ( -1.308 -6.584 -8.227) 10.618 50.613 ( -1.308 -6.584 8.227) 10.618 51.073 ( 2.941 -11.305 -6.080) 13.169 51.073 ( 2.941 -11.305 6.080) 13.169 51.544 ( -5.517 -16.511 -0.913) 17.433 51.544 ( -5.517 -16.511 0.913) 17.433 52.490 ( -15.390 -33.733 -19.311) 41.805 52.490 ( -15.390 -33.733 19.311) 41.805 53.693 ( 26.374 -45.824 -18.709) 56.084 53.693 ( 26.374 -45.824 18.709) 56.084 91.418 ( 0.863 -0.860 -1.319) 1.795 91.418 ( 0.863 -0.860 1.319) 1.795 91.547 ( -0.436 -0.951 -1.186) 1.582 91.547 ( -0.436 -0.951 1.186) 1.582 91.728 ( -0.817 -5.541 -2.024) 5.955 91.728 ( -0.817 -5.541 2.024) 5.955 91.877 ( 2.867 -7.257 -4.573) 9.044 91.877 ( 2.867 -7.257 4.573) 9.044 93.085 ( 8.434 -3.622 -16.139) 18.566 93.085 ( 8.434 -3.622 16.139) 18.566 93.946 ( -1.028 0.384 -10.031) 10.090 93.946 ( -1.028 0.384 10.031) 10.090 94.386 ( -2.866 -1.923 -4.335) 5.541 94.386 ( -2.866 -1.923 4.335) 5.541 95.340 ( -4.525 5.887 -9.373) 11.958 95.340 ( -4.525 5.887 9.373) 11.958 ======================= Grid point 347 (107/128) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 6.702 6.304 -9.913) 13.525 1.897 ( 6.702 6.304 9.913) 13.525 2.073 ( 6.146 6.606 -7.468) 11.713 2.073 ( 6.146 6.606 7.468) 11.713 2.469 ( -4.139 1.799 -12.582) 13.367 2.469 ( -4.139 1.799 12.582) 13.367 2.594 ( -0.866 -0.793 -6.006) 6.120 2.594 ( -0.866 -0.793 6.006) 6.120 2.977 ( -0.852 3.017 -2.547) 4.040 2.977 ( -0.852 3.017 2.547) 4.040 3.105 ( 1.022 2.245 -2.820) 3.747 3.105 ( 1.022 2.245 2.820) 3.747 3.364 ( -1.356 2.341 -4.347) 5.120 3.364 ( -1.356 2.341 4.347) 5.120 3.730 ( 7.796 1.229 -3.570) 8.662 3.730 ( 7.796 1.229 3.570) 8.662 4.923 ( 12.687 7.390 -26.154) 29.994 4.923 ( 12.687 7.390 26.154) 29.994 5.611 ( -17.642 -1.143 -17.887) 25.149 5.611 ( -17.642 -1.143 17.887) 25.149 6.510 ( -1.936 2.812 -1.854) 3.885 6.510 ( -1.936 2.812 1.854) 3.885 6.949 ( -4.842 0.485 -4.885) 6.895 6.949 ( -4.842 0.485 4.885) 6.895 7.419 ( 3.720 5.801 -3.105) 7.559 7.419 ( 3.720 5.801 3.105) 7.559 7.810 ( 2.234 -2.288 -3.969) 5.097 7.810 ( 2.234 -2.288 3.969) 5.097 8.263 ( 11.189 -8.166 -11.789) 18.189 8.263 ( 11.189 -8.166 11.789) 18.189 8.962 ( -13.442 -13.140 -16.770) 25.191 8.962 ( -13.442 -13.140 16.770) 25.191 15.498 ( 0.465 2.151 -2.235) 3.137 15.498 ( 0.465 2.151 2.235) 3.137 15.648 ( -0.476 2.970 -1.803) 3.507 15.648 ( -0.476 2.970 1.803) 3.507 15.747 ( 0.906 -4.378 -2.142) 4.957 15.747 ( 0.906 -4.378 2.142) 4.957 15.878 ( -0.931 -6.155 -3.318) 7.054 15.878 ( -0.931 -6.155 3.318) 7.054 16.183 ( 5.213 -5.526 -2.724) 8.070 16.183 ( 5.213 -5.526 2.724) 8.070 16.438 ( -5.452 -5.264 -2.500) 7.981 16.438 ( -5.452 -5.264 2.500) 7.981 18.920 ( -0.302 -0.636 -0.393) 0.806 18.920 ( -0.302 -0.636 0.393) 0.806 19.031 ( -1.982 1.378 -0.998) 2.612 19.031 ( -1.982 1.378 0.998) 2.612 33.746 ( -0.544 3.606 -0.055) 3.647 33.746 ( -0.544 3.606 0.055) 3.647 34.370 ( -0.761 8.840 -1.609) 9.018 34.370 ( -0.761 8.840 1.609) 9.018 35.873 ( 2.927 -0.860 -0.256) 3.061 35.873 ( 2.927 -0.860 0.256) 3.061 36.907 ( -0.589 2.816 -1.393) 3.196 36.907 ( -0.589 2.816 1.393) 3.196 42.601 ( 1.358 5.632 -2.574) 6.339 42.601 ( 1.358 5.632 2.574) 6.339 42.917 ( 3.009 9.243 -4.224) 10.599 42.917 ( 3.009 9.243 4.224) 10.599 42.982 ( 2.376 6.017 -5.466) 8.470 42.982 ( 2.376 6.017 5.466) 8.470 43.332 ( 5.148 5.723 -0.159) 7.700 43.332 ( 5.148 5.723 0.159) 7.700 43.548 ( -2.998 6.772 -3.532) 8.205 43.548 ( -2.998 6.772 3.532) 8.205 43.911 ( -5.866 4.961 -1.117) 7.764 43.911 ( -5.866 4.961 1.117) 7.764 50.091 ( -10.702 -24.142 -1.554) 26.453 50.091 ( -10.702 -24.142 1.554) 26.453 50.729 ( 9.250 -3.398 -5.386) 11.230 50.729 ( 9.250 -3.398 5.386) 11.230 51.126 ( 2.102 -11.893 -5.068) 13.098 51.126 ( 2.102 -11.893 5.068) 13.098 51.434 ( -4.811 -15.678 -1.548) 16.472 51.434 ( -4.811 -15.678 1.548) 16.472 52.224 ( -10.591 -31.485 -9.295) 34.494 52.224 ( -10.591 -31.485 9.295) 34.494 54.148 ( 16.929 -39.815 -23.383) 49.179 54.148 ( 16.929 -39.815 23.383) 49.179 91.436 ( 0.740 -1.319 -1.540) 2.158 91.436 ( 0.740 -1.319 1.540) 2.158 91.535 ( -0.573 -1.297 -2.165) 2.588 91.535 ( -0.573 -1.297 2.165) 2.588 91.723 ( 0.159 -5.977 -2.246) 6.387 91.723 ( 0.159 -5.977 2.246) 6.387 91.924 ( 1.577 -4.657 -4.759) 6.843 91.924 ( 1.577 -4.657 4.759) 6.843 93.302 ( 11.976 -4.654 -13.547) 18.671 93.302 ( 11.976 -4.654 13.547) 18.671 93.897 ( -4.203 -6.913 -10.341) 13.130 93.897 ( -4.203 -6.913 10.341) 13.130 94.321 ( -2.923 4.338 -2.400) 5.755 94.321 ( -2.923 4.338 2.400) 5.755 95.241 ( -4.457 5.842 -7.894) 10.785 95.241 ( -4.457 5.842 7.894) 10.785 ======================= Grid point 349 (108/128) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -0.000 5.162 -7.478) 9.087 1.977 ( 0.000 5.162 7.478) 9.087 2.128 ( 0.000 7.481 -5.761) 9.442 2.128 ( 0.000 7.481 5.761) 9.442 2.404 ( 0.000 0.164 -11.993) 11.994 2.404 ( 0.000 0.164 11.993) 11.994 2.608 ( -0.000 2.341 -9.053) 9.351 2.608 ( 0.000 2.341 9.053) 9.351 2.971 ( 0.000 2.621 -0.672) 2.706 2.971 ( 0.000 2.621 0.672) 2.706 3.121 ( 0.000 2.299 -2.173) 3.163 3.121 ( 0.000 2.299 2.173) 3.163 3.342 ( 0.000 1.571 -2.037) 2.573 3.342 ( 0.000 1.571 2.037) 2.573 3.816 ( 0.000 1.162 -1.832) 2.169 3.816 ( 0.000 1.162 1.832) 2.169 5.176 ( 0.000 1.096 -16.516) 16.553 5.176 ( 0.000 1.096 16.516) 16.553 5.301 ( 0.000 5.107 -27.183) 27.658 5.301 ( -0.000 5.107 27.183) 27.658 6.495 ( 0.000 2.763 -1.635) 3.211 6.495 ( 0.000 2.763 1.635) 3.211 6.897 ( 0.000 0.367 -0.180) 0.409 6.897 ( 0.000 0.367 0.180) 0.409 7.457 ( 0.000 6.499 -3.530) 7.396 7.457 ( 0.000 6.499 3.530) 7.396 7.829 ( 0.000 -1.686 -2.150) 2.732 7.829 ( 0.000 -1.686 2.150) 2.732 8.431 ( 0.000 -13.741 -18.697) 23.203 8.431 ( 0.000 -13.741 18.697) 23.203 8.773 ( 0.000 -8.894 -12.205) 15.102 8.773 ( -0.000 -8.894 12.205) 15.102 15.502 ( 0.000 1.842 -1.468) 2.355 15.502 ( 0.000 1.842 1.468) 2.355 15.644 ( 0.000 3.891 -1.661) 4.231 15.644 ( 0.000 3.891 1.661) 4.231 15.758 ( 0.000 -4.962 -0.237) 4.967 15.758 ( 0.000 -4.962 0.237) 4.967 15.867 ( 0.000 -6.201 -0.479) 6.220 15.867 ( 0.000 -6.201 0.479) 6.220 16.269 ( 0.000 -5.197 -0.353) 5.209 16.269 ( 0.000 -5.197 0.353) 5.209 16.349 ( 0.000 -5.545 -0.227) 5.549 16.349 ( -0.000 -5.545 0.227) 5.549 18.917 ( 0.000 -0.545 -0.245) 0.598 18.917 ( 0.000 -0.545 0.245) 0.598 19.010 ( 0.000 1.538 -0.842) 1.753 19.010 ( 0.000 1.538 0.842) 1.753 33.740 ( 0.000 3.690 -0.094) 3.691 33.740 ( 0.000 3.690 0.094) 3.691 34.362 ( 0.000 8.742 -1.262) 8.833 34.362 ( 0.000 8.742 1.262) 8.833 35.904 ( 0.000 -1.080 -0.173) 1.093 35.904 ( 0.000 -1.080 0.173) 1.093 36.900 ( 0.000 2.884 -0.901) 3.022 36.900 ( 0.000 2.884 0.901) 3.022 42.612 ( 0.000 5.877 -2.497) 6.386 42.612 ( 0.000 5.877 2.497) 6.386 42.951 ( -0.000 9.468 -0.490) 9.481 42.951 ( 0.000 9.468 0.490) 9.481 43.012 ( 0.000 6.225 -3.158) 6.980 43.012 ( 0.000 6.225 3.158) 6.980 43.406 ( 0.000 6.542 -0.230) 6.546 43.406 ( 0.000 6.542 0.230) 6.546 43.503 ( -0.000 5.906 -0.238) 5.911 43.503 ( 0.000 5.906 0.238) 5.911 43.841 ( 0.000 4.806 -1.731) 5.108 43.841 ( 0.000 4.806 1.731) 5.108 49.973 ( 0.000 -27.023 -1.359) 27.057 49.973 ( 0.000 -27.023 1.359) 27.057 50.847 ( 0.000 -4.099 -4.335) 5.966 50.847 ( 0.000 -4.099 4.335) 5.966 51.147 ( 0.000 -13.244 -4.671) 14.043 51.147 ( 0.000 -13.244 4.671) 14.043 51.378 ( -0.000 -13.783 -1.151) 13.831 51.378 ( 0.000 -13.783 1.151) 13.831 52.108 ( 0.000 -30.650 -3.057) 30.802 52.108 ( 0.000 -30.650 3.057) 30.802 54.321 ( 0.000 -37.592 -27.434) 46.538 54.321 ( 0.000 -37.592 27.434) 46.538 91.444 ( 0.000 -1.521 -1.590) 2.201 91.444 ( 0.000 -1.521 1.590) 2.201 91.529 ( 0.000 -1.498 -2.358) 2.794 91.529 ( 0.000 -1.498 2.358) 2.794 91.726 ( 0.000 -5.895 -2.479) 6.395 91.726 ( 0.000 -5.895 2.479) 6.395 91.939 ( 0.000 -3.721 -4.805) 6.077 91.939 ( 0.000 -3.721 4.805) 6.077 93.461 ( 0.000 -2.554 -7.776) 8.184 93.461 ( 0.000 -2.554 7.776) 8.184 93.823 ( 0.000 -14.226 -6.516) 15.647 93.823 ( -0.000 -14.226 6.516) 15.647 94.290 ( 0.000 8.838 -0.543) 8.855 94.290 ( 0.000 8.838 0.543) 8.855 95.192 ( 0.000 5.627 -7.315) 9.229 95.192 ( 0.000 5.627 7.315) 9.229 ======================= Grid point 357 (109/128) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 12.027 -13.394) 18.002 1.853 ( 0.000 12.027 13.394) 18.002 1.953 ( 0.000 7.941 -12.680) 14.962 1.953 ( 0.000 7.941 12.681) 14.962 2.672 ( 0.000 -0.325 -0.726) 0.796 2.672 ( 0.000 -0.325 0.726) 0.796 2.686 ( 0.000 4.847 -2.251) 5.345 2.686 ( 0.000 4.847 2.251) 5.345 3.050 ( 0.000 -1.478 -6.051) 6.229 3.050 ( 0.000 -1.478 6.051) 6.229 3.212 ( 0.000 3.251 -5.840) 6.684 3.212 ( 0.000 3.251 5.840) 6.684 3.214 ( 0.000 0.172 -1.350) 1.361 3.214 ( 0.000 0.172 1.350) 1.361 3.615 ( 0.000 5.236 -5.899) 7.888 3.615 ( 0.000 5.236 5.899) 7.888 4.897 ( 0.000 10.842 -21.648) 24.211 4.897 ( 0.000 10.842 21.648) 24.211 5.897 ( 0.000 -6.036 -9.813) 11.521 5.897 ( 0.000 -6.036 9.813) 11.521 6.739 ( 0.000 2.239 -4.496) 5.023 6.739 ( 0.000 2.239 4.496) 5.023 7.053 ( 0.000 -4.275 -10.088) 10.956 7.053 ( 0.000 -4.275 10.088) 10.956 7.223 ( 0.000 -0.858 -3.703) 3.801 7.223 ( 0.000 -0.858 3.703) 3.801 7.693 ( 0.000 1.840 -13.691) 13.814 7.693 ( 0.000 1.840 13.691) 13.814 8.046 ( 0.000 0.855 -1.148) 1.431 8.046 ( 0.000 0.855 1.148) 1.431 8.957 ( 0.000 -17.078 -22.396) 28.165 8.957 ( 0.000 -17.078 22.396) 28.165 15.482 ( 0.000 -3.653 -3.339) 4.949 15.482 ( 0.000 -3.653 3.339) 4.949 15.645 ( 0.000 0.384 -3.007) 3.031 15.645 ( 0.000 0.384 3.007) 3.031 15.722 ( 0.000 -3.297 -2.900) 4.391 15.722 ( 0.000 -3.297 2.900) 4.391 15.807 ( 0.000 -0.123 -2.632) 2.635 15.807 ( 0.000 -0.123 2.632) 2.635 15.928 ( 0.000 -7.132 -2.941) 7.715 15.928 ( 0.000 -7.132 2.941) 7.715 16.449 ( 0.000 -6.566 -2.197) 6.924 16.449 ( 0.000 -6.566 2.197) 6.924 18.916 ( 0.000 -0.495 -1.003) 1.118 18.916 ( 0.000 -0.495 1.003) 1.118 19.114 ( 0.000 0.467 -0.344) 0.580 19.114 ( 0.000 0.467 0.344) 0.580 33.839 ( 0.000 4.009 -0.177) 4.013 33.839 ( 0.000 4.009 0.177) 4.013 34.573 ( 0.000 8.047 -3.195) 8.658 34.573 ( 0.000 8.047 3.195) 8.658 35.769 ( 0.000 0.183 -1.432) 1.444 35.769 ( 0.000 0.183 1.432) 1.444 36.990 ( 0.000 3.746 -2.993) 4.795 36.990 ( 0.000 3.746 2.993) 4.795 42.615 ( 0.000 5.303 -2.932) 6.060 42.615 ( 0.000 5.303 2.932) 6.060 43.053 ( 0.000 9.536 -3.913) 10.308 43.053 ( 0.000 9.536 3.913) 10.308 43.061 ( 0.000 11.234 -5.995) 12.733 43.061 ( 0.000 11.234 5.995) 12.733 43.336 ( 0.000 6.818 -1.722) 7.032 43.336 ( 0.000 6.818 1.722) 7.032 43.783 ( 0.000 9.083 -3.921) 9.893 43.783 ( 0.000 9.083 3.921) 9.893 44.199 ( 0.000 6.349 -1.479) 6.519 44.199 ( 0.000 6.349 1.479) 6.519 50.207 ( 0.000 -5.176 -4.266) 6.708 50.207 ( 0.000 -5.176 4.266) 6.708 50.362 ( 0.000 -23.850 -9.040) 25.505 50.362 ( 0.000 -23.850 9.040) 25.505 50.769 ( 0.000 -15.238 -8.253) 17.329 50.769 ( 0.000 -15.238 8.253) 17.329 51.234 ( 0.000 -20.441 -3.518) 20.742 51.234 ( 0.000 -20.441 3.518) 20.742 52.056 ( 0.000 -35.921 -37.304) 51.787 52.056 ( 0.000 -35.921 37.304) 51.787 52.385 ( 0.000 -37.584 -36.161) 52.156 52.385 ( 0.000 -37.584 36.161) 52.156 91.396 ( 0.000 -0.649 -1.452) 1.590 91.396 ( 0.000 -0.649 1.452) 1.590 91.531 ( 0.000 -1.139 -0.585) 1.281 91.531 ( 0.000 -1.139 0.585) 1.281 91.646 ( 0.000 -8.561 -6.441) 10.714 91.646 ( 0.000 -8.561 6.441) 10.714 91.668 ( 0.000 -3.802 -2.845) 4.748 91.668 ( 0.000 -3.802 2.845) 4.748 93.016 ( 0.000 3.545 -14.575) 15.000 93.016 ( 0.000 3.545 14.575) 15.000 93.997 ( 0.000 1.681 -8.152) 8.324 93.997 ( 0.000 1.681 8.152) 8.324 94.348 ( 0.000 -3.113 -5.047) 5.929 94.348 ( 0.000 -3.113 5.047) 5.929 95.401 ( 0.000 -4.047 -9.182) 10.034 95.401 ( 0.000 -4.047 9.182) 10.034 ======================= Grid point 359 (110/128) ======================= q-point: ( 0.17 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 5.262 9.939 -3.253) 11.707 1.936 ( 5.262 9.939 3.253) 11.707 2.033 ( 9.236 8.867 -2.706) 13.087 2.033 ( 9.236 8.867 2.706) 13.087 2.600 ( -4.610 1.402 -2.285) 5.333 2.600 ( -4.610 1.402 2.285) 5.333 2.659 ( -3.827 2.416 -4.420) 6.326 2.659 ( -3.827 2.416 4.420) 6.326 3.033 ( -0.755 0.399 -3.775) 3.870 3.033 ( -0.755 0.399 3.775) 3.870 3.160 ( -0.556 3.233 -2.645) 4.214 3.160 ( -0.556 3.233 2.645) 4.214 3.364 ( 7.245 0.879 -4.041) 8.342 3.364 ( 7.245 0.879 4.041) 8.342 3.638 ( 2.958 4.054 -4.646) 6.839 3.638 ( 2.958 4.054 4.646) 6.839 4.934 ( 3.756 9.117 -20.771) 22.993 4.934 ( 3.756 9.117 20.771) 22.993 5.812 ( -8.381 -5.101 -10.712) 14.526 5.812 ( -8.381 -5.101 10.712) 14.526 6.653 ( -5.357 3.104 -4.052) 7.400 6.653 ( -5.357 3.104 4.052) 7.400 7.050 ( -3.045 -0.728 -7.556) 8.179 7.050 ( -3.045 -0.728 7.556) 8.179 7.313 ( 8.665 -3.077 -5.525) 10.728 7.313 ( 8.665 -3.077 5.525) 10.728 7.717 ( 2.128 0.495 -12.845) 13.029 7.717 ( 2.128 0.495 12.845) 13.029 8.063 ( 1.716 -0.376 -2.044) 2.695 8.063 ( 1.716 -0.376 2.044) 2.695 8.879 ( -7.338 -15.870 -20.774) 27.153 8.879 ( -7.338 -15.870 20.774) 27.153 15.498 ( 1.385 -3.091 -3.389) 4.792 15.498 ( 1.385 -3.091 3.389) 4.792 15.636 ( -0.666 -0.361 -2.140) 2.270 15.636 ( -0.666 -0.361 2.140) 2.270 15.717 ( -0.492 -3.309 -3.012) 4.501 15.717 ( -0.492 -3.309 3.012) 4.501 15.797 ( -0.757 -0.696 -2.446) 2.653 15.797 ( -0.757 -0.696 2.446) 2.653 15.970 ( 3.745 -6.372 -2.681) 7.862 15.970 ( 3.745 -6.372 2.681) 7.862 16.414 ( -3.418 -6.495 -2.240) 7.674 16.414 ( -3.418 -6.495 2.240) 7.674 18.914 ( -0.137 -0.410 -1.014) 1.103 18.914 ( -0.137 -0.410 1.014) 1.103 19.094 ( -1.794 0.702 -0.312) 1.951 19.094 ( -1.794 0.702 0.312) 1.951 33.834 ( -0.428 4.113 -0.175) 4.138 33.834 ( -0.428 4.113 0.175) 4.138 34.563 ( -0.873 8.198 -2.726) 8.683 34.563 ( -0.873 8.198 2.726) 8.683 35.800 ( 2.742 -0.153 -0.999) 2.922 35.800 ( 2.742 -0.153 0.999) 2.922 36.985 ( -0.508 3.781 -2.599) 4.616 36.985 ( -0.508 3.781 2.599) 4.616 42.665 ( 4.130 5.803 -2.495) 7.547 42.665 ( 4.130 5.803 2.495) 7.547 43.045 ( 0.573 9.232 -3.875) 10.028 43.045 ( 0.573 9.232 3.875) 10.028 43.102 ( 2.841 11.142 -2.060) 11.682 43.102 ( 2.841 11.142 2.060) 11.682 43.368 ( 3.256 6.880 -1.086) 7.689 43.368 ( 3.256 6.880 1.086) 7.689 43.759 ( -2.302 8.803 -4.067) 9.966 43.759 ( -2.302 8.803 4.067) 9.966 44.143 ( -5.149 6.225 -1.058) 8.148 44.143 ( -5.149 6.225 1.058) 8.148 49.937 ( -20.671 -22.928 -5.168) 31.300 49.937 ( -20.671 -22.928 5.168) 31.300 50.471 ( 7.910 -7.822 -4.325) 11.935 50.471 ( 7.910 -7.822 4.325) 11.935 50.804 ( 2.773 -15.895 -7.364) 17.736 50.804 ( 2.773 -15.895 7.364) 17.736 51.166 ( -4.847 -19.671 -3.688) 20.593 51.166 ( -4.847 -19.671 3.688) 20.593 51.897 ( -9.569 -25.700 -5.884) 28.047 51.897 ( -9.569 -25.700 5.884) 28.047 52.758 ( 26.196 -46.818 -12.660) 55.122 52.758 ( 26.196 -46.818 12.660) 55.122 91.401 ( 0.479 -0.830 -1.579) 1.847 91.401 ( 0.479 -0.830 1.579) 1.847 91.520 ( -1.171 -1.855 -1.965) 2.945 91.520 ( -1.171 -1.855 1.965) 2.945 91.613 ( -0.452 -5.547 -0.713) 5.611 91.613 ( -0.452 -5.547 0.713) 5.611 91.745 ( 4.492 -5.753 -3.340) 8.027 91.745 ( 4.492 -5.753 3.340) 8.027 93.080 ( 6.406 2.446 -14.335) 15.890 93.080 ( 6.406 2.446 14.335) 15.890 93.943 ( -5.364 -0.522 -8.899) 10.403 93.943 ( -5.364 -0.522 8.899) 10.403 94.363 ( 1.419 -0.796 -4.152) 4.459 94.363 ( 1.419 -0.796 4.152) 4.459 95.356 ( -4.077 -3.635 -8.392) 10.013 95.356 ( -4.077 -3.635 8.392) 10.013 ======================= Grid point 361 (111/128) ======================= q-point: ( 0.33 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 4.438 7.067 -11.486) 14.197 2.031 ( 4.438 7.067 11.486) 14.197 2.234 ( 7.219 9.502 -8.042) 14.390 2.234 ( 7.219 9.502 8.042) 14.390 2.511 ( -5.219 2.361 -6.126) 8.387 2.511 ( -5.219 2.361 6.126) 8.387 2.605 ( 1.494 1.955 -0.835) 2.598 2.605 ( 1.494 1.955 0.835) 2.598 3.025 ( -0.275 1.969 -0.689) 2.105 3.025 ( -0.275 1.969 0.689) 2.105 3.167 ( 0.985 3.600 -1.442) 4.001 3.167 ( 0.985 3.600 1.442) 4.001 3.422 ( -1.062 3.580 -3.829) 5.348 3.422 ( -1.062 3.580 3.829) 5.348 3.749 ( 6.699 0.548 -3.490) 7.573 3.749 ( 6.699 0.548 3.490) 7.573 5.044 ( 6.955 4.246 -17.461) 19.269 5.044 ( 6.955 4.246 17.461) 19.269 5.594 ( -12.056 -0.646 -12.560) 17.421 5.594 ( -12.056 -0.646 12.560) 17.421 6.583 ( -1.661 4.028 -2.811) 5.185 6.583 ( -1.661 4.028 2.811) 5.185 6.959 ( -4.715 0.628 -4.890) 6.822 6.959 ( -4.715 0.628 4.890) 6.822 7.482 ( 6.652 -0.766 -4.234) 7.922 7.482 ( 6.652 -0.766 4.234) 7.922 7.763 ( 2.032 -2.118 -12.052) 12.405 7.763 ( 2.032 -2.118 12.052) 12.405 8.117 ( 3.636 -5.201 -6.948) 9.410 8.117 ( 3.636 -5.201 6.948) 9.410 8.702 ( -9.027 -12.479 -15.905) 22.140 8.702 ( -9.027 -12.479 15.905) 22.140 15.525 ( 1.056 -1.122 -2.871) 3.258 15.525 ( 1.056 -1.122 2.871) 3.258 15.632 ( 0.626 -2.659 -1.742) 3.240 15.632 ( 0.626 -2.659 1.742) 3.240 15.700 ( -1.338 -3.659 -3.287) 5.098 15.700 ( -1.338 -3.659 3.287) 5.098 15.784 ( -0.440 -0.298 -1.630) 1.715 15.784 ( -0.440 -0.298 1.631) 1.715 16.063 ( 5.342 -6.166 -2.520) 8.539 16.063 ( 5.342 -6.166 2.520) 8.539 16.322 ( -5.442 -6.310 -2.287) 8.641 16.322 ( -5.442 -6.310 2.287) 8.641 18.911 ( -0.132 -0.224 -1.018) 1.051 18.911 ( -0.132 -0.224 1.018) 1.051 19.056 ( -1.674 1.063 -0.255) 1.999 19.056 ( -1.674 1.063 0.255) 1.999 33.825 ( -0.388 4.290 -0.216) 4.313 33.825 ( -0.388 4.290 0.216) 4.313 34.545 ( -0.752 8.428 -1.914) 8.675 34.545 ( -0.752 8.428 1.914) 8.675 35.857 ( 2.500 -0.679 -0.349) 2.614 35.857 ( 2.500 -0.679 0.349) 2.614 36.974 ( -0.495 3.849 -1.615) 4.204 36.974 ( -0.495 3.849 1.615) 4.204 42.738 ( 2.450 7.663 -1.859) 8.257 42.738 ( 2.450 7.663 1.859) 8.257 43.081 ( 2.599 7.301 -6.137) 9.886 43.081 ( 2.599 7.301 6.137) 9.886 43.162 ( 2.816 11.942 -2.962) 12.622 43.162 ( 2.816 11.942 2.962) 12.622 43.461 ( 5.641 7.035 -0.869) 9.059 43.461 ( 5.641 7.035 0.869) 9.059 43.695 ( -3.950 7.868 -4.312) 9.803 43.695 ( -3.950 7.868 4.312) 9.803 44.020 ( -6.179 5.937 -0.735) 8.600 44.020 ( -6.179 5.937 0.735) 8.600 49.545 ( -15.800 -28.818 -2.423) 32.954 49.545 ( -15.800 -28.818 2.423) 32.954 50.647 ( 8.668 -4.942 -5.731) 11.506 50.647 ( 8.668 -4.942 5.731) 11.506 50.858 ( 2.216 -15.432 -7.273) 17.203 50.858 ( 2.216 -15.432 7.273) 17.203 51.087 ( -2.658 -18.047 -4.150) 18.708 51.087 ( -2.658 -18.047 4.150) 18.708 51.711 ( -8.577 -21.224 -2.466) 23.024 51.711 ( -8.577 -21.224 2.466) 23.024 53.222 ( 17.669 -51.551 -16.402) 56.910 53.222 ( 17.669 -51.551 16.402) 56.910 91.411 ( 0.449 -1.116 -1.838) 2.196 91.411 ( 0.449 -1.116 1.838) 2.196 91.494 ( -1.159 -2.873 -2.715) 4.119 91.494 ( -1.159 -2.873 2.715) 4.119 91.622 ( 0.876 -3.964 -1.754) 4.422 91.622 ( 0.876 -3.964 1.754) 4.422 91.820 ( 2.704 -5.455 -4.496) 7.568 91.820 ( 2.704 -5.455 4.496) 7.568 93.262 ( 11.280 0.232 -13.180) 17.349 93.262 ( 11.280 0.232 13.180) 17.349 93.787 ( -9.981 -3.890 -10.218) 14.804 93.787 ( -9.981 -3.890 10.218) 14.804 94.398 ( 1.845 2.817 -2.424) 4.150 94.398 ( 1.845 2.817 2.424) 4.150 95.264 ( -4.353 -2.987 -6.834) 8.636 95.264 ( -4.353 -2.987 6.834) 8.636 ======================= Grid point 363 (112/128) ======================= q-point: (-0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 5.576 -10.773) 12.130 2.085 ( 0.000 5.576 10.773) 12.130 2.297 ( 0.000 9.165 -5.642) 10.763 2.297 ( 0.000 9.165 5.642) 10.763 2.436 ( 0.000 3.172 -1.491) 3.505 2.436 ( 0.000 3.172 1.491) 3.505 2.657 ( 0.000 2.793 -5.970) 6.591 2.657 ( 0.000 2.793 5.970) 6.591 3.021 ( 0.000 2.256 -1.472) 2.694 3.021 ( 0.000 2.256 1.472) 2.694 3.183 ( 0.000 3.689 -0.193) 3.694 3.183 ( 0.000 3.689 0.193) 3.694 3.394 ( 0.000 4.054 -1.558) 4.343 3.394 ( 0.000 4.054 1.558) 4.343 3.827 ( 0.000 -0.324 -2.573) 2.593 3.827 ( 0.000 -0.324 2.573) 2.593 5.153 ( 0.000 -2.199 -0.937) 2.390 5.153 ( 0.000 -2.199 0.937) 2.390 5.428 ( 0.000 5.935 -9.205) 10.953 5.428 ( -0.000 5.935 9.205) 10.953 6.570 ( 0.000 4.227 -1.815) 4.600 6.570 ( -0.000 4.227 1.815) 4.600 6.905 ( 0.000 0.710 -0.705) 1.000 6.905 ( 0.000 0.710 0.705) 1.000 7.550 ( 0.000 1.711 -2.166) 2.760 7.550 ( 0.000 1.711 2.166) 2.760 7.785 ( 0.000 -3.151 -11.776) 12.190 7.785 ( 0.000 -3.151 11.776) 12.190 8.170 ( 0.000 -10.316 -12.461) 16.177 8.170 ( 0.000 -10.316 12.461) 16.177 8.591 ( 0.000 -9.121 -10.331) 13.781 8.591 ( -0.000 -9.121 10.331) 13.781 15.535 ( 0.000 0.203 -1.859) 1.870 15.535 ( 0.000 0.203 1.859) 1.870 15.654 ( 0.000 -5.060 -2.824) 5.794 15.654 ( 0.000 -5.060 2.824) 5.794 15.673 ( 0.000 -2.947 -0.989) 3.109 15.673 ( -0.000 -2.947 0.989) 3.109 15.780 ( 0.000 0.137 -0.449) 0.470 15.780 ( 0.000 0.137 0.449) 0.470 16.150 ( 0.000 -6.633 -0.992) 6.707 16.150 ( 0.000 -6.633 0.992) 6.707 16.233 ( -0.000 -5.869 -0.596) 5.899 16.233 ( -0.000 -5.869 0.596) 5.899 18.910 ( 0.000 -0.120 -1.001) 1.009 18.910 ( 0.000 -0.120 1.001) 1.009 19.038 ( 0.000 1.191 -0.017) 1.191 19.038 ( 0.000 1.191 0.017) 1.191 33.821 ( 0.000 4.366 -0.240) 4.373 33.821 ( 0.000 4.366 0.240) 4.373 34.537 ( 0.000 8.516 -1.545) 8.655 34.537 ( 0.000 8.516 1.545) 8.655 35.884 ( 0.000 -0.882 -0.063) 0.884 35.884 ( 0.000 -0.882 0.063) 0.884 36.968 ( 0.000 3.882 -0.808) 3.965 36.968 ( 0.000 3.882 0.808) 3.965 42.760 ( 0.000 8.710 -1.705) 8.875 42.760 ( 0.000 8.710 1.705) 8.875 43.113 ( -0.000 6.834 -6.113) 9.169 43.113 ( 0.000 6.834 6.113) 9.169 43.195 ( 0.000 12.066 -1.288) 12.134 43.195 ( 0.000 12.066 1.288) 12.134 43.551 ( 0.000 7.808 -1.482) 7.947 43.551 ( 0.000 7.808 1.482) 7.947 43.627 ( -0.000 6.453 -0.956) 6.524 43.627 ( -0.000 6.453 0.956) 6.524 43.947 ( 0.000 5.772 -2.015) 6.114 43.947 ( 0.000 5.772 2.015) 6.114 49.378 ( 0.000 -30.094 -1.068) 30.113 49.378 ( 0.000 -30.094 1.068) 30.113 50.752 ( 0.000 -5.820 -5.105) 7.742 50.752 ( 0.000 -5.820 5.105) 7.742 50.876 ( 0.000 -14.339 -6.910) 15.917 50.876 ( 0.000 -14.339 6.910) 15.917 51.065 ( 0.000 -16.740 -2.807) 16.974 51.065 ( 0.000 -16.740 2.807) 16.974 51.608 ( 0.000 -20.845 -0.628) 20.854 51.608 ( 0.000 -20.845 0.628) 20.854 53.405 ( 0.000 -52.739 -19.039) 56.071 53.405 ( 0.000 -52.739 19.039) 56.071 91.416 ( 0.000 -1.214 -1.930) 2.280 91.416 ( 0.000 -1.214 1.930) 2.280 91.481 ( 0.000 -3.105 -2.302) 3.865 91.481 ( 0.000 -3.105 2.302) 3.865 91.633 ( 0.000 -3.517 -2.078) 4.085 91.633 ( 0.000 -3.517 2.078) 4.085 91.847 ( 0.000 -5.193 -4.807) 7.077 91.847 ( 0.000 -5.193 4.807) 7.077 93.453 ( 0.000 1.316 -5.888) 6.033 93.453 ( 0.000 1.316 5.888) 6.033 93.611 ( -0.000 -7.401 -6.158) 9.628 93.611 ( -0.000 -7.401 6.158) 9.628 94.420 ( 0.000 4.323 -1.207) 4.489 94.420 ( 0.000 4.323 1.207) 4.489 95.215 ( 0.000 -2.785 -6.068) 6.676 95.215 ( 0.000 -2.785 6.068) 6.676 ======================= Grid point 371 (113/128) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.000 12.198 -9.465) 15.440 2.096 ( 0.000 12.198 9.465) 15.440 2.150 ( 0.000 11.305 -6.492) 13.036 2.150 ( 0.000 11.305 6.492) 13.036 2.659 ( 0.000 -0.976 -0.981) 1.384 2.659 ( 0.000 -0.976 0.981) 1.384 2.774 ( 0.000 3.860 -2.663) 4.690 2.774 ( 0.000 3.860 2.663) 4.690 3.020 ( 0.000 -1.059 -3.104) 3.280 3.020 ( 0.000 -1.059 3.104) 3.280 3.233 ( 0.000 1.480 -0.149) 1.488 3.233 ( 0.000 1.480 0.149) 1.488 3.256 ( 0.000 1.030 -5.892) 5.982 3.256 ( 0.000 1.030 5.892) 5.982 3.728 ( 0.000 6.122 -3.568) 7.086 3.728 ( 0.000 6.122 3.568) 7.086 5.052 ( 0.000 4.215 -14.993) 15.574 5.052 ( 0.000 4.215 14.993) 15.574 5.763 ( 0.000 -7.167 -8.327) 10.986 5.763 ( 0.000 -7.167 8.327) 10.986 6.774 ( 0.000 1.204 -6.457) 6.569 6.774 ( 0.000 1.204 6.457) 6.569 6.959 ( 0.000 -4.782 -7.337) 8.758 6.959 ( 0.000 -4.782 7.338) 8.758 7.213 ( 0.000 -0.346 -3.899) 3.914 7.213 ( 0.000 -0.346 3.899) 3.914 7.720 ( 0.000 1.026 -9.354) 9.410 7.720 ( 0.000 1.026 9.354) 9.410 8.079 ( 0.000 2.457 -1.605) 2.935 8.079 ( 0.000 2.457 1.605) 2.935 8.660 ( 0.000 -12.770 -20.948) 24.534 8.660 ( 0.000 -12.770 20.948) 24.534 15.364 ( 0.000 -6.979 -3.115) 7.643 15.364 ( 0.000 -6.979 3.115) 7.643 15.590 ( 0.000 -7.488 -4.320) 8.645 15.590 ( 0.000 -7.488 4.320) 8.645 15.682 ( 0.000 1.005 -2.585) 2.773 15.682 ( 0.000 1.005 2.585) 2.773 15.800 ( 0.000 -4.438 -2.754) 5.223 15.800 ( 0.000 -4.438 2.754) 5.223 15.870 ( 0.000 4.022 -3.310) 5.209 15.870 ( 0.000 4.022 3.310) 5.209 16.317 ( 0.000 -6.556 -1.873) 6.818 16.317 ( 0.000 -6.556 1.873) 6.818 18.912 ( 0.000 0.132 -1.414) 1.420 18.912 ( 0.000 0.132 1.414) 1.420 19.120 ( 0.000 0.121 -1.763) 1.767 19.120 ( 0.000 0.121 1.763) 1.767 33.918 ( 0.000 3.795 -0.517) 3.830 33.918 ( 0.000 3.795 0.517) 3.830 34.710 ( 0.000 5.683 -2.381) 6.162 34.710 ( 0.000 5.683 2.381) 6.162 35.773 ( 0.000 0.238 -2.094) 2.108 35.773 ( 0.000 0.238 2.094) 2.108 37.070 ( 0.000 4.192 -3.230) 5.292 37.070 ( 0.000 4.192 3.230) 5.292 42.701 ( 0.000 3.221 -6.975) 7.683 42.701 ( 0.000 3.221 6.975) 7.683 43.270 ( 0.000 11.982 -2.834) 12.313 43.270 ( 0.000 11.982 2.834) 12.313 43.302 ( 0.000 12.948 -4.167) 13.601 43.302 ( 0.000 12.948 4.167) 13.601 43.477 ( 0.000 7.413 -1.473) 7.558 43.477 ( 0.000 7.413 1.473) 7.558 43.967 ( 0.000 9.156 -3.578) 9.830 43.967 ( 0.000 9.156 3.578) 9.830 44.319 ( 0.000 5.531 -2.521) 6.078 44.319 ( 0.000 5.531 2.521) 6.078 49.746 ( 0.000 -35.817 -10.763) 37.399 49.746 ( 0.000 -35.817 10.763) 37.399 50.089 ( 0.000 -6.990 -1.703) 7.195 50.089 ( 0.000 -6.990 1.703) 7.195 50.445 ( 0.000 -16.879 -8.524) 18.909 50.445 ( 0.000 -16.879 8.524) 18.909 50.890 ( 0.000 -13.784 -12.945) 18.909 50.890 ( 0.000 -13.784 12.945) 18.909 51.375 ( 0.000 -31.507 -22.407) 38.662 51.375 ( 0.000 -31.507 22.407) 38.662 51.818 ( 0.000 -21.612 -17.954) 28.096 51.818 ( 0.000 -21.612 17.954) 28.096 91.383 ( 0.000 -0.635 -1.438) 1.572 91.383 ( 0.000 -0.635 1.438) 1.572 91.503 ( 0.000 -1.783 -0.973) 2.032 91.503 ( 0.000 -1.783 0.973) 2.032 91.509 ( 0.000 -5.374 -5.745) 7.866 91.509 ( 0.000 -5.374 5.745) 7.866 91.604 ( 0.000 -2.412 -1.790) 3.003 91.604 ( 0.000 -2.412 1.790) 3.003 93.109 ( 0.000 5.366 -11.878) 13.034 93.109 ( 0.000 5.366 11.878) 13.034 94.018 ( 0.000 0.506 -6.843) 6.861 94.018 ( 0.000 0.506 6.843) 6.861 94.297 ( 0.000 -1.946 -4.242) 4.667 94.297 ( 0.000 -1.946 4.242) 4.667 95.260 ( 0.000 -9.365 -7.779) 12.174 95.260 ( 0.000 -9.365 7.779) 12.174 ======================= Grid point 373 (114/128) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 2.122 9.050 -6.434) 11.305 2.122 ( 2.122 9.050 6.434) 11.305 2.256 ( 9.688 12.742 -9.426) 18.576 2.256 ( 9.688 12.742 9.426) 18.576 2.600 ( -4.133 -0.649 -1.890) 4.590 2.600 ( -4.133 -0.649 1.890) 4.590 2.735 ( -3.591 4.578 -3.103) 6.594 2.735 ( -3.591 4.578 3.103) 6.594 3.042 ( 1.475 0.527 -2.279) 2.766 3.042 ( 1.475 0.527 2.279) 2.766 3.215 ( 0.185 2.333 -1.450) 2.753 3.215 ( 0.185 2.333 1.450) 2.753 3.371 ( 8.078 -0.433 -5.019) 9.519 3.371 ( 8.078 -0.433 5.019) 9.519 3.732 ( 0.357 5.393 -2.545) 5.974 3.732 ( 0.357 5.393 2.545) 5.974 5.058 ( 0.651 2.889 -14.700) 14.995 5.058 ( 0.651 2.889 14.700) 14.995 5.702 ( -5.633 -5.874 -8.878) 12.044 5.702 ( -5.633 -5.874 8.878) 12.044 6.705 ( -4.014 2.074 -5.940) 7.463 6.705 ( -4.014 2.074 5.940) 7.463 7.022 ( 1.402 -2.366 -7.259) 7.762 7.022 ( 1.402 -2.366 7.259) 7.762 7.235 ( 4.336 -3.605 -4.429) 7.171 7.235 ( 4.336 -3.605 4.429) 7.171 7.730 ( 0.678 0.508 -9.418) 9.456 7.730 ( 0.678 0.508 9.418) 9.456 8.082 ( 0.226 2.223 -1.475) 2.678 8.082 ( 0.226 2.223 1.475) 2.678 8.603 ( -5.212 -11.789 -18.728) 22.735 8.603 ( -5.212 -11.789 18.728) 22.735 15.383 ( 1.843 -6.935 -3.275) 7.888 15.383 ( 1.843 -6.935 3.275) 7.888 15.576 ( -1.300 -7.091 -4.043) 8.266 15.576 ( -1.300 -7.091 4.043) 8.266 15.682 ( -0.112 1.277 -2.246) 2.586 15.682 ( -0.112 1.277 2.246) 2.586 15.795 ( -0.034 -2.440 -2.769) 3.691 15.795 ( -0.034 -2.440 2.769) 3.691 15.902 ( 2.683 1.198 -2.338) 3.755 15.902 ( 2.683 1.198 2.338) 3.755 16.284 ( -3.184 -6.391 -1.882) 7.384 16.284 ( -3.184 -6.391 1.882) 7.384 18.912 ( 0.026 0.224 -1.498) 1.515 18.912 ( 0.026 0.224 1.498) 1.515 19.104 ( -1.511 0.229 -1.638) 2.240 19.104 ( -1.511 0.229 1.638) 2.240 33.914 ( -0.280 3.865 -0.477) 3.904 33.914 ( -0.280 3.865 0.477) 3.904 34.703 ( -0.554 5.882 -2.119) 6.276 34.703 ( -0.554 5.882 2.119) 6.276 35.799 ( 2.285 0.027 -1.696) 2.845 35.799 ( 2.285 0.027 1.696) 2.845 37.065 ( -0.475 4.198 -2.784) 5.059 37.065 ( -0.475 4.198 2.784) 5.059 42.760 ( 5.369 3.616 -6.034) 8.849 42.760 ( 5.369 3.616 6.034) 8.849 43.247 ( -1.237 11.199 -3.468) 11.789 43.247 ( -1.237 11.199 3.468) 11.789 43.346 ( 3.396 12.991 -1.633) 13.526 43.346 ( 3.396 12.991 1.633) 13.526 43.511 ( 3.273 7.472 -1.103) 8.232 43.511 ( 3.273 7.472 1.103) 8.232 43.936 ( -3.040 8.759 -3.551) 9.929 43.936 ( -3.040 8.759 3.551) 9.929 44.262 ( -5.290 5.508 -1.962) 7.885 44.262 ( -5.290 5.508 1.962) 7.885 49.424 ( -22.222 -27.391 -7.536) 36.068 49.424 ( -22.222 -27.391 7.536) 36.068 50.292 ( 12.678 -11.087 -0.653) 16.855 50.292 ( 12.678 -11.087 0.653) 16.855 50.465 ( 1.785 -16.932 -8.698) 19.119 50.465 ( 1.785 -16.932 8.698) 19.119 50.832 ( -3.892 -13.785 -9.360) 17.111 50.832 ( -3.892 -13.785 9.360) 17.111 51.432 ( 0.508 -23.026 -10.991) 25.519 51.432 ( 0.508 -23.026 10.991) 25.519 51.929 ( 12.029 -34.699 -12.557) 38.812 51.929 ( 12.029 -34.699 12.557) 38.812 91.386 ( 0.226 -0.775 -1.633) 1.822 91.386 ( 0.226 -0.775 1.633) 1.822 91.467 ( -2.028 -3.252 -3.664) 5.302 91.467 ( -2.028 -3.252 3.664) 5.302 91.531 ( 1.452 -2.777 -0.752) 3.222 91.531 ( 1.452 -2.777 0.752) 3.222 91.653 ( 3.699 -3.581 -2.022) 5.531 91.653 ( 3.699 -3.581 2.022) 5.531 93.154 ( 4.588 4.529 -11.845) 13.486 93.154 ( 4.588 4.529 11.845) 13.486 93.932 ( -7.658 -0.517 -7.675) 10.854 93.932 ( -7.658 -0.517 7.675) 10.854 94.348 ( 4.108 -0.678 -3.257) 5.286 94.348 ( 4.108 -0.678 3.257) 5.286 95.225 ( -3.266 -8.877 -7.138) 11.850 95.225 ( -3.266 -8.877 7.138) 11.850 ======================= Grid point 375 (115/128) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 2.099 6.547 -5.545) 8.833 2.168 ( 2.099 6.547 5.545) 8.833 2.426 ( 3.686 8.890 -8.857) 13.080 2.426 ( 3.686 8.890 8.857) 13.080 2.566 ( 0.946 3.726 -2.606) 4.644 2.566 ( 0.947 3.725 2.606) 4.644 2.673 ( -0.097 4.987 -0.654) 5.030 2.673 ( -0.097 4.987 0.654) 5.030 3.060 ( 0.245 1.589 -1.850) 2.451 3.060 ( 0.245 1.589 1.850) 2.451 3.235 ( 1.450 3.145 -0.855) 3.567 3.235 ( 1.450 3.145 0.855) 3.567 3.497 ( 2.917 3.322 -4.400) 6.238 3.497 ( 2.917 3.322 4.400) 6.238 3.757 ( 2.597 0.789 -1.342) 3.027 3.757 ( 2.597 0.789 1.342) 3.027 5.082 ( 1.674 -0.275 -12.421) 12.536 5.082 ( 1.674 -0.275 12.421) 12.536 5.569 ( -6.636 -2.676 -8.974) 11.477 5.569 ( -6.636 -2.676 8.974) 11.477 6.652 ( -1.296 2.908 -4.863) 5.812 6.652 ( -1.296 2.908 4.863) 5.812 6.978 ( -3.748 1.203 -4.104) 5.687 6.978 ( -3.748 1.203 4.104) 5.687 7.382 ( 8.065 -7.792 -7.142) 13.296 7.382 ( 8.065 -7.792 7.142) 13.296 7.733 ( -0.637 -1.171 -10.525) 10.609 7.733 ( -0.637 -1.171 10.525) 10.609 8.086 ( 0.146 1.500 -1.450) 2.092 8.086 ( 0.146 1.500 1.450) 2.092 8.486 ( -5.437 -9.213 -12.426) 16.397 8.486 ( -5.437 -9.213 12.426) 16.397 15.429 ( 2.474 -6.733 -3.571) 8.013 15.429 ( 2.474 -6.733 3.571) 8.013 15.544 ( -1.741 -6.917 -3.885) 8.122 15.544 ( -1.741 -6.917 3.885) 8.122 15.676 ( -0.450 1.718 -1.348) 2.229 15.676 ( -0.450 1.718 1.348) 2.229 15.804 ( 0.774 0.126 -1.673) 1.848 15.804 ( 0.774 0.126 1.673) 1.848 15.966 ( 3.577 -2.818 -1.768) 4.885 15.966 ( 3.577 -2.818 1.768) 4.885 16.200 ( -4.742 -5.660 -1.804) 7.601 16.200 ( -4.742 -5.660 1.804) 7.601 18.913 ( 0.067 0.446 -1.692) 1.751 18.913 ( 0.067 0.446 1.692) 1.751 19.071 ( -1.499 0.370 -1.328) 2.036 19.071 ( -1.499 0.370 1.328) 2.036 33.908 ( -0.262 3.991 -0.374) 4.017 33.908 ( -0.262 3.991 0.374) 4.017 34.692 ( -0.500 6.230 -1.624) 6.458 34.692 ( -0.500 6.230 1.624) 6.458 35.848 ( 2.166 -0.314 -0.859) 2.352 35.848 ( 2.166 -0.314 0.859) 2.352 37.055 ( -0.465 4.207 -1.632) 4.536 37.055 ( -0.465 4.207 1.632) 4.536 42.876 ( 5.070 5.635 -3.402) 8.309 42.876 ( 5.070 5.635 3.402) 8.309 43.238 ( 0.389 8.815 -5.424) 10.358 43.238 ( 0.389 8.815 5.424) 10.358 43.416 ( 3.064 13.352 -1.249) 13.756 43.416 ( 3.064 13.352 1.249) 13.756 43.602 ( 5.644 7.105 -1.840) 9.259 43.602 ( 5.644 7.105 1.840) 9.259 43.850 ( -5.271 7.714 -3.730) 10.060 43.850 ( -5.271 7.714 3.730) 10.060 44.136 ( -6.311 5.526 -0.562) 8.407 44.136 ( -6.311 5.526 0.562) 8.407 49.029 ( -15.207 -22.274 -4.299) 27.311 49.029 ( -15.207 -22.274 4.299) 27.311 50.503 ( 3.235 -18.289 -7.040) 19.862 50.503 ( 3.235 -18.289 7.040) 19.862 50.524 ( 8.002 -10.027 -4.207) 13.501 50.524 ( 8.002 -10.027 4.207) 13.501 50.778 ( -0.877 -12.205 -4.872) 13.171 50.778 ( -0.877 -12.205 4.872) 13.171 51.351 ( -6.797 -15.806 -4.439) 17.769 51.351 ( -6.797 -15.806 4.439) 17.769 52.207 ( 12.340 -48.901 -10.022) 51.420 52.207 ( 12.340 -48.901 10.022) 51.420 91.390 ( 0.217 -1.141 -2.252) 2.534 91.390 ( 0.217 -1.141 2.252) 2.534 91.435 ( -1.131 -2.607 -2.867) 4.037 91.435 ( -1.131 -2.607 2.867) 4.037 91.563 ( 1.434 -2.373 -0.961) 2.935 91.563 ( 1.434 -2.373 0.961) 2.935 91.720 ( 2.604 -4.452 -3.483) 6.223 91.720 ( 2.604 -4.452 3.483) 6.223 93.292 ( 9.038 2.303 -11.454) 14.771 93.292 ( 9.038 2.303 11.454) 14.771 93.741 ( -10.942 -0.864 -9.099) 14.257 93.741 ( -10.942 -0.864 9.099) 14.257 94.430 ( 3.571 0.606 -2.011) 4.143 94.430 ( 3.571 0.606 2.011) 4.143 95.149 ( -3.690 -7.943 -5.648) 10.422 95.149 ( -3.690 -7.943 5.648) 10.422 ======================= Grid point 377 (116/128) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 4.869 -5.019) 6.993 2.191 ( 0.000 4.869 5.019) 6.993 2.447 ( 0.000 5.585 -7.682) 9.498 2.447 ( 0.000 5.585 7.682) 9.498 2.552 ( 0.000 8.433 -4.336) 9.482 2.552 ( 0.000 8.433 4.336) 9.482 2.724 ( 0.000 4.120 -4.347) 5.989 2.724 ( 0.000 4.120 4.347) 5.989 3.059 ( 0.000 1.729 -2.084) 2.708 3.059 ( 0.000 1.729 2.084) 2.708 3.254 ( 0.000 3.373 -0.306) 3.387 3.254 ( 0.000 3.373 0.306) 3.387 3.509 ( 0.000 7.360 -1.197) 7.457 3.509 ( 0.000 7.360 1.197) 7.457 3.797 ( 0.000 -2.630 -2.840) 3.871 3.797 ( 0.000 -2.630 2.840) 3.871 5.105 ( 0.000 -2.493 -7.091) 7.517 5.105 ( 0.000 -2.493 7.091) 7.517 5.490 ( -0.000 -0.450 -6.297) 6.313 5.490 ( 0.000 -0.450 6.297) 6.313 6.642 ( 0.000 2.984 -3.633) 4.702 6.642 ( -0.000 2.984 3.633) 4.702 6.932 ( 0.000 2.062 -0.940) 2.266 6.932 ( 0.000 2.062 0.940) 2.266 7.480 ( 0.000 -8.286 -2.599) 8.684 7.480 ( 0.000 -8.286 2.599) 8.684 7.716 ( 0.000 -2.699 -11.245) 11.564 7.716 ( 0.000 -2.699 11.245) 11.564 8.087 ( 0.000 0.929 -1.777) 2.005 8.087 ( 0.000 0.929 1.777) 2.005 8.425 ( 0.000 -7.361 -6.809) 10.027 8.425 ( 0.000 -7.361 6.809) 10.027 15.463 ( 0.000 -6.235 -3.483) 7.142 15.463 ( 0.000 -6.235 3.483) 7.142 15.519 ( -0.000 -7.430 -3.869) 8.377 15.519 ( -0.000 -7.430 3.869) 8.377 15.670 ( 0.000 1.962 -0.784) 2.113 15.670 ( 0.000 1.962 0.784) 2.113 15.814 ( 0.000 1.584 -0.889) 1.816 15.814 ( 0.000 1.584 0.889) 1.816 16.020 ( 0.000 -6.156 -1.098) 6.253 16.020 ( 0.000 -6.156 1.098) 6.253 16.132 ( -0.000 -3.960 -0.043) 3.961 16.132 ( 0.000 -3.960 0.043) 3.961 18.914 ( 0.000 0.585 -1.805) 1.898 18.914 ( 0.000 0.585 1.805) 1.898 19.054 ( 0.000 0.394 -1.096) 1.164 19.054 ( 0.000 0.394 1.096) 1.164 33.906 ( 0.000 4.049 -0.304) 4.060 33.906 ( 0.000 4.049 0.304) 4.060 34.686 ( 0.000 6.384 -1.380) 6.532 34.686 ( 0.000 6.384 1.380) 6.532 35.871 ( 0.000 -0.449 -0.044) 0.451 35.871 ( 0.000 -0.449 0.044) 0.451 37.049 ( 0.000 4.210 -0.497) 4.240 37.049 ( 0.000 4.210 0.497) 4.240 42.929 ( 0.000 7.542 -1.085) 7.619 42.929 ( 0.000 7.542 1.085) 7.619 43.248 ( -0.000 7.161 -6.521) 9.685 43.248 ( 0.000 7.161 6.521) 9.685 43.450 ( 0.000 13.264 -1.100) 13.310 43.450 ( 0.000 13.264 1.100) 13.310 43.702 ( 0.000 7.131 -4.410) 8.384 43.702 ( 0.000 7.131 4.410) 8.384 43.757 ( -0.000 6.767 -2.745) 7.302 43.757 ( -0.000 6.767 2.745) 7.302 44.061 ( 0.000 5.588 -1.907) 5.904 44.061 ( 0.000 5.588 1.907) 5.904 48.871 ( 0.000 -20.366 -2.597) 20.531 48.871 ( 0.000 -20.366 2.597) 20.531 50.533 ( 0.000 -18.073 -8.265) 19.873 50.533 ( 0.000 -18.073 8.265) 19.873 50.606 ( 0.000 -12.799 -8.128) 15.162 50.606 ( 0.000 -12.799 8.128) 15.162 50.795 ( 0.000 -8.568 -2.876) 9.037 50.795 ( 0.000 -8.568 2.876) 9.037 51.256 ( 0.000 -15.135 -2.916) 15.413 51.256 ( 0.000 -15.135 2.916) 15.413 52.339 ( 0.000 -52.811 -10.687) 53.882 52.339 ( 0.000 -52.811 10.687) 53.882 91.393 ( 0.000 -1.439 -2.807) 3.154 91.393 ( 0.000 -1.439 2.807) 3.154 91.423 ( 0.000 -2.216 -2.320) 3.208 91.423 ( 0.000 -2.216 2.320) 3.208 91.579 ( 0.000 -2.228 -1.112) 2.490 91.579 ( 0.000 -2.228 1.112) 2.490 91.747 ( 0.000 -4.701 -3.925) 6.124 91.747 ( 0.000 -4.701 3.925) 6.124 93.475 ( 0.000 -0.934 -8.596) 8.647 93.475 ( 0.000 -0.934 8.596) 8.647 93.539 ( -0.000 1.235 -8.065) 8.159 93.539 ( -0.000 1.235 8.065) 8.159 94.470 ( 0.000 1.068 -1.557) 1.888 94.470 ( 0.000 1.068 1.557) 1.888 95.107 ( 0.000 -7.517 -4.699) 8.865 95.107 ( 0.000 -7.517 4.699) 8.865 ======================= Grid point 385 (117/128) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 10.043 -4.856) 11.155 2.320 ( 0.000 10.043 4.856) 11.155 2.362 ( 0.000 8.994 -6.045) 10.837 2.362 ( 0.000 8.994 6.045) 10.837 2.637 ( 0.000 -1.149 -4.053) 4.213 2.637 ( 0.000 -1.149 4.053) 4.213 2.838 ( 0.000 2.842 -5.101) 5.839 2.838 ( 0.000 2.842 5.101) 5.839 3.033 ( 0.000 2.989 -3.320) 4.467 3.033 ( 0.000 2.989 3.320) 4.467 3.249 ( 0.000 -1.703 -5.473) 5.732 3.249 ( 0.000 -1.703 5.473) 5.732 3.265 ( 0.000 1.651 -1.110) 1.989 3.265 ( 0.000 1.651 1.110) 1.989 3.846 ( 0.000 5.472 -4.184) 6.889 3.846 ( 0.000 5.472 4.184) 6.889 5.050 ( 0.000 -4.245 -18.664) 19.140 5.050 ( 0.000 -4.245 18.664) 19.140 5.632 ( 0.000 -5.682 -9.827) 11.352 5.632 ( 0.000 -5.682 9.827) 11.352 6.787 ( 0.000 0.238 -8.198) 8.201 6.787 ( 0.000 0.238 8.198) 8.201 6.882 ( 0.000 -2.698 -4.683) 5.405 6.882 ( 0.000 -2.698 4.683) 5.405 7.204 ( 0.000 -0.540 -3.034) 3.081 7.204 ( 0.000 -0.540 3.034) 3.081 7.745 ( 0.000 1.771 -5.015) 5.319 7.745 ( 0.000 1.771 5.015) 5.319 8.138 ( 0.000 3.213 -2.236) 3.914 8.138 ( 0.000 3.213 2.236) 3.914 8.451 ( 0.000 -8.660 -15.009) 17.328 8.451 ( 0.000 -8.660 15.009) 17.328 15.233 ( 0.000 -5.919 -2.897) 6.590 15.233 ( 0.000 -5.919 2.897) 6.590 15.454 ( 0.000 -6.076 -4.213) 7.394 15.454 ( 0.000 -6.076 4.213) 7.394 15.619 ( 0.000 -5.138 -2.303) 5.630 15.619 ( 0.000 -5.138 2.303) 5.630 15.805 ( 0.000 2.694 -3.377) 4.320 15.805 ( 0.000 2.694 3.377) 4.320 15.940 ( 0.000 2.837 -3.104) 4.205 15.940 ( 0.000 2.837 3.104) 4.205 16.201 ( 0.000 -4.866 -1.558) 5.109 16.201 ( 0.000 -4.866 1.558) 5.109 18.920 ( 0.000 0.633 -1.728) 1.840 18.920 ( 0.000 0.633 1.728) 1.840 19.119 ( 0.000 -0.263 -3.181) 3.192 19.119 ( 0.000 -0.263 3.181) 3.192 33.984 ( 0.000 2.867 -0.808) 2.979 33.984 ( 0.000 2.867 0.808) 2.979 34.798 ( 0.000 3.326 -1.388) 3.605 34.798 ( 0.000 3.326 1.388) 3.605 35.778 ( 0.000 0.231 -2.701) 2.711 35.778 ( 0.000 0.231 2.701) 2.711 37.149 ( 0.000 3.625 -3.200) 4.836 37.149 ( 0.000 3.625 3.200) 4.836 42.744 ( 0.000 1.244 -10.728) 10.800 42.744 ( 0.000 1.244 10.728) 10.800 43.492 ( 0.000 9.264 -2.967) 9.728 43.492 ( 0.000 9.264 2.967) 9.728 43.557 ( 0.000 12.363 -1.554) 12.460 43.557 ( 0.000 12.363 1.554) 12.460 43.632 ( 0.000 8.541 -1.369) 8.650 43.632 ( 0.000 8.541 1.369) 8.650 44.128 ( 0.000 6.815 -3.040) 7.462 44.128 ( 0.000 6.815 3.040) 7.462 44.408 ( 0.000 3.445 -4.729) 5.851 44.408 ( 0.000 3.445 4.729) 5.851 49.071 ( 0.000 -30.232 -5.478) 30.725 49.071 ( 0.000 -30.232 5.478) 30.725 49.905 ( 0.000 -12.338 -1.292) 12.405 49.905 ( 0.000 -12.338 1.292) 12.405 50.152 ( 0.000 -11.195 -5.533) 12.487 50.152 ( 0.000 -11.195 5.533) 12.487 50.668 ( 0.000 -9.154 -17.984) 20.180 50.668 ( 0.000 -9.154 17.984) 20.180 50.855 ( 0.000 -20.568 -10.295) 23.000 50.855 ( 0.000 -20.568 10.295) 23.000 51.480 ( 0.000 -13.193 -8.604) 15.751 51.480 ( 0.000 -13.193 8.604) 15.751 91.370 ( 0.000 -0.655 -1.358) 1.508 91.370 ( 0.000 -0.655 1.358) 1.508 91.429 ( 0.000 -2.817 -4.487) 5.298 91.429 ( 0.000 -2.817 4.487) 5.298 91.463 ( 0.000 -2.016 -1.194) 2.343 91.463 ( 0.000 -2.016 1.194) 2.343 91.574 ( 0.000 -0.797 -0.708) 1.065 91.574 ( 0.000 -0.797 0.708) 1.065 93.212 ( 0.000 4.739 -9.194) 10.344 93.212 ( 0.000 4.739 9.194) 10.344 94.019 ( 0.000 -0.263 -5.961) 5.966 94.019 ( 0.000 -0.263 5.961) 5.966 94.274 ( 0.000 -0.412 -3.188) 3.214 94.274 ( 0.000 -0.412 3.188) 3.214 95.061 ( 0.000 -10.096 -6.824) 12.186 95.061 ( 0.000 -10.096 6.824) 12.186 ======================= Grid point 387 (118/128) ======================= q-point: ( 0.17 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -0.754 6.774 -2.851) 7.388 2.283 ( -0.754 6.774 2.851) 7.388 2.501 ( 9.450 10.988 -3.772) 14.976 2.501 ( 9.450 10.988 3.772) 14.976 2.586 ( -3.125 -0.295 -5.234) 6.103 2.586 ( -3.125 -0.295 5.234) 6.103 2.834 ( -1.358 5.299 -5.039) 7.438 2.834 ( -1.358 5.299 5.039) 7.438 3.057 ( 2.089 1.323 -3.015) 3.900 3.057 ( 2.089 1.323 3.015) 3.900 3.250 ( 1.126 1.011 -1.778) 2.334 3.250 ( 1.126 1.011 1.778) 2.334 3.349 ( 7.150 -1.343 -5.361) 9.037 3.349 ( 7.150 -1.343 5.361) 9.037 3.841 ( -0.733 5.355 -3.661) 6.528 3.841 ( -0.733 5.355 3.661) 6.528 5.043 ( -0.430 -4.068 -17.959) 18.419 5.043 ( -0.430 -4.068 17.959) 18.419 5.582 ( -4.685 -6.032 -11.837) 14.088 5.582 ( -4.685 -6.032 11.837) 14.088 6.739 ( -2.582 1.539 -7.039) 7.654 6.739 ( -2.582 1.539 7.039) 7.654 6.960 ( 4.603 -3.388 -5.791) 8.136 6.960 ( 4.603 -3.388 5.791) 8.136 7.194 ( -0.064 -0.688 -2.666) 2.754 7.194 ( -0.064 -0.688 2.666) 2.754 7.739 ( -0.796 0.620 -5.773) 5.860 7.739 ( -0.796 0.620 5.773) 5.860 8.139 ( 0.117 3.237 -1.979) 3.796 8.139 ( 0.117 3.237 1.979) 3.796 8.412 ( -3.413 -7.703 -12.726) 15.262 8.412 ( -3.413 -7.703 12.726) 15.262 15.252 ( 1.857 -5.936 -3.065) 6.934 15.252 ( 1.857 -5.936 3.065) 6.934 15.443 ( -1.037 -5.978 -4.125) 7.337 15.443 ( -1.037 -5.978 4.125) 7.337 15.635 ( 1.517 -4.700 -1.980) 5.320 15.635 ( 1.517 -4.700 1.980) 5.320 15.800 ( -0.344 2.369 -3.133) 3.943 15.800 ( -0.344 2.369 3.133) 3.943 15.949 ( 0.666 2.415 -2.580) 3.596 15.949 ( 0.666 2.415 2.580) 3.597 16.172 ( -2.682 -4.600 -1.499) 5.532 16.172 ( -2.682 -4.600 1.499) 5.532 18.922 ( 0.226 0.749 -1.888) 2.044 18.922 ( 0.226 0.749 1.888) 2.044 19.103 ( -1.446 -0.271 -3.012) 3.352 19.103 ( -1.446 -0.271 3.012) 3.352 33.982 ( -0.184 2.909 -0.715) 3.001 33.982 ( -0.184 2.909 0.715) 3.001 34.795 ( -0.259 3.460 -1.279) 3.697 34.795 ( -0.259 3.460 1.279) 3.697 35.800 ( 2.029 0.131 -2.283) 3.057 35.800 ( 2.029 0.131 2.283) 3.057 37.144 ( -0.475 3.624 -2.755) 4.577 37.144 ( -0.475 3.624 2.755) 4.577 42.807 ( 5.941 1.304 -9.639) 11.398 42.807 ( 5.941 1.304 9.639) 11.398 43.465 ( -2.346 9.946 -2.250) 10.463 43.465 ( -2.346 9.946 2.250) 10.463 43.589 ( 3.517 10.664 -0.845) 11.261 43.589 ( 3.517 10.664 0.845) 11.261 43.668 ( 2.760 8.778 -1.209) 9.280 43.668 ( 2.760 8.778 1.209) 9.280 44.092 ( -3.517 6.803 -2.723) 8.128 44.092 ( -3.517 6.803 2.723) 8.128 44.352 ( -5.227 3.473 -3.946) 7.413 44.352 ( -5.227 3.473 3.946) 7.413 48.916 ( -12.563 -22.777 -4.508) 26.400 48.916 ( -12.563 -22.777 4.508) 26.400 50.000 ( 6.801 -17.157 -2.877) 18.679 50.000 ( 6.801 -17.157 2.877) 18.679 50.202 ( 5.070 -9.828 -3.982) 11.754 50.202 ( 5.070 -9.828 3.982) 11.754 50.614 ( -2.849 -8.460 -11.163) 14.294 50.614 ( -2.849 -8.460 11.163) 14.294 50.968 ( 7.847 -22.257 -6.389) 24.449 50.968 ( 7.847 -22.257 6.389) 24.449 51.438 ( -3.652 -16.201 -8.085) 18.471 51.438 ( -3.652 -16.201 8.085) 18.471 91.368 ( -0.253 -1.029 -1.514) 1.848 91.368 ( -0.253 -1.029 1.514) 1.848 91.414 ( -0.876 -1.812 -3.272) 3.841 91.414 ( -0.876 -1.812 3.272) 3.841 91.485 ( 1.724 -2.057 -1.234) 2.954 91.485 ( 1.724 -2.057 1.234) 2.954 91.602 ( 2.381 -1.627 -0.922) 3.027 91.602 ( 2.381 -1.627 0.922) 3.027 93.243 ( 3.145 4.099 -9.209) 10.559 93.243 ( 3.145 4.099 9.209) 10.559 93.925 ( -7.885 -0.129 -6.553) 10.253 93.925 ( -7.885 -0.129 6.553) 10.253 94.338 ( 4.934 -0.240 -2.385) 5.486 94.338 ( 4.934 -0.240 2.385) 5.486 95.035 ( -2.445 -9.688 -6.309) 11.817 95.035 ( -2.445 -9.688 6.309) 11.817 ======================= Grid point 389 (119/128) ======================= q-point: ( 0.33 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -0.479 4.100 -1.765) 4.489 2.275 ( -0.479 4.100 1.765) 4.489 2.538 ( -0.315 2.764 -6.203) 6.799 2.538 ( -0.315 2.764 6.203) 6.799 2.688 ( 5.790 8.124 -6.275) 11.785 2.688 ( 5.790 8.124 6.275) 11.785 2.799 ( -0.381 7.312 -2.936) 7.888 2.799 ( -0.381 7.312 2.937) 7.889 3.088 ( 0.734 1.332 -2.907) 3.281 3.088 ( 0.734 1.332 2.907) 3.281 3.289 ( 2.233 2.190 -0.770) 3.221 3.289 ( 2.233 2.190 0.770) 3.221 3.523 ( 9.285 -0.606 -6.370) 11.277 3.523 ( 9.285 -0.606 6.370) 11.277 3.805 ( -3.086 4.040 -3.047) 5.927 3.805 ( -3.086 4.040 3.047) 5.927 5.044 ( 0.623 -3.351 -15.692) 16.058 5.044 ( 0.623 -3.351 15.692) 16.058 5.468 ( -5.863 -7.257 -16.588) 19.032 5.468 ( -5.863 -7.257 16.588) 19.032 6.705 ( -0.878 2.594 -6.144) 6.726 6.705 ( -0.878 2.594 6.144) 6.726 6.993 ( -1.024 -0.138 -3.232) 3.393 6.993 ( -1.024 -0.138 3.232) 3.393 7.250 ( 5.157 -4.122 -7.261) 9.814 7.250 ( 5.157 -4.122 7.261) 9.814 7.705 ( -2.643 -1.921 -6.061) 6.886 7.705 ( -2.643 -1.921 6.061) 6.886 8.140 ( -0.063 3.240 -1.187) 3.451 8.140 ( -0.063 3.240 1.187) 3.451 8.342 ( -2.939 -5.385 -7.168) 9.435 8.342 ( -2.939 -5.385 7.168) 9.435 15.299 ( 2.523 -6.015 -3.394) 7.353 15.299 ( 2.523 -6.015 3.394) 7.353 15.415 ( -1.680 -5.778 -3.912) 7.177 15.415 ( -1.680 -5.778 3.912) 7.177 15.671 ( 1.677 -2.680 -1.015) 3.321 15.671 ( 1.677 -2.680 1.015) 3.321 15.802 ( 0.813 0.533 -2.728) 2.896 15.802 ( 0.813 0.533 2.728) 2.896 15.954 ( -0.542 0.783 -1.747) 1.990 15.954 ( -0.542 0.783 1.747) 1.990 16.111 ( -2.819 -3.194 -1.316) 4.459 16.111 ( -2.819 -3.194 1.316) 4.459 18.929 ( 0.357 1.070 -2.294) 2.556 18.929 ( 0.357 1.070 2.294) 2.556 19.070 ( -1.554 -0.394 -2.555) 3.016 19.070 ( -1.554 -0.394 2.555) 3.016 33.978 ( -0.176 2.986 -0.469) 3.027 33.978 ( -0.176 2.986 0.469) 3.027 34.790 ( -0.243 3.706 -1.060) 3.862 34.790 ( -0.243 3.706 1.060) 3.862 35.844 ( 1.974 -0.035 -1.258) 2.341 35.844 ( 1.974 -0.035 1.258) 2.341 37.133 ( -0.468 3.618 -1.579) 3.975 37.133 ( -0.468 3.618 1.579) 3.975 42.949 ( 7.077 1.933 -6.324) 9.686 42.949 ( 7.077 1.933 6.324) 9.686 43.419 ( -1.860 8.909 -2.639) 9.476 43.419 ( -1.860 8.909 2.639) 9.476 43.672 ( 3.330 11.979 -0.748) 12.455 43.672 ( 3.330 11.979 0.748) 12.455 43.734 ( 4.556 6.096 -2.276) 7.944 43.734 ( 4.556 6.096 2.276) 7.944 43.995 ( -5.895 6.855 -1.762) 9.211 43.995 ( -5.895 6.855 1.762) 9.211 44.230 ( -5.989 3.764 -1.699) 7.275 44.230 ( -5.989 3.764 1.699) 7.275 48.676 ( -9.687 -13.667 -2.981) 17.015 48.676 ( -9.687 -13.667 2.982) 17.015 50.106 ( 3.657 -19.688 -5.589) 20.790 50.106 ( 3.657 -19.688 5.589) 20.790 50.313 ( 3.948 -10.974 -2.340) 11.895 50.313 ( 3.948 -10.974 2.340) 11.895 50.614 ( 3.766 -5.203 -3.233) 7.191 50.614 ( 3.766 -5.203 3.233) 7.191 51.057 ( -0.833 -15.862 -7.212) 17.445 51.057 ( -0.833 -15.862 7.212) 17.445 51.384 ( -0.300 -31.235 -6.311) 31.868 51.384 ( -0.300 -31.235 6.311) 31.868 91.361 ( -0.389 -1.646 -1.601) 2.328 91.361 ( -0.389 -1.646 1.601) 2.328 91.404 ( -0.249 -0.724 -1.723) 1.885 91.404 ( -0.249 -0.724 1.723) 1.885 91.522 ( 1.673 -1.800 -0.816) 2.589 91.522 ( 1.673 -1.800 0.816) 2.589 91.649 ( 1.857 -2.764 -2.109) 3.941 91.649 ( 1.857 -2.764 2.109) 3.941 93.339 ( 6.315 2.152 -9.030) 11.227 93.339 ( 6.315 2.152 9.030) 11.227 93.744 ( -9.576 0.936 -7.614) 12.270 93.744 ( -9.576 0.936 7.614) 12.270 94.433 ( 3.993 -0.082 -1.797) 4.379 94.433 ( 3.993 -0.082 1.797) 4.379 94.977 ( -2.904 -8.880 -4.921) 10.560 94.977 ( -2.904 -8.880 4.921) 10.560 ======================= Grid point 391 (120/128) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.000 2.876 -0.610) 2.940 2.268 ( 0.000 2.876 0.610) 2.940 2.544 ( -0.000 4.122 -2.693) 4.923 2.544 ( 0.000 4.122 2.693) 4.923 2.712 ( 0.000 7.167 -2.588) 7.620 2.712 ( 0.000 7.167 2.588) 7.620 2.830 ( 0.000 6.503 -1.459) 6.664 2.830 ( 0.000 6.503 1.459) 6.664 3.093 ( 0.000 1.757 -2.839) 3.338 3.093 ( 0.000 1.757 2.839) 3.338 3.315 ( 0.000 2.699 -1.072) 2.904 3.315 ( 0.000 2.699 1.072) 2.904 3.660 ( -0.000 6.805 -2.212) 7.155 3.660 ( 0.000 6.805 2.212) 7.155 3.737 ( 0.000 -2.500 -4.197) 4.885 3.737 ( 0.000 -2.500 4.197) 4.885 5.056 ( 0.000 -2.488 -13.024) 13.259 5.056 ( 0.000 -2.488 13.024) 13.259 5.397 ( 0.000 -8.476 -19.810) 21.547 5.397 ( 0.000 -8.476 19.810) 21.547 6.698 ( 0.000 2.802 -5.208) 5.914 6.698 ( -0.000 2.802 5.208) 5.914 6.974 ( 0.000 1.659 -0.837) 1.858 6.974 ( 0.000 1.659 0.837) 1.858 7.321 ( 0.000 -5.723 -9.381) 10.989 7.321 ( 0.000 -5.723 9.381) 10.989 7.665 ( 0.000 -3.290 -1.065) 3.459 7.665 ( 0.000 -3.290 1.065) 3.459 8.139 ( 0.000 3.220 -0.369) 3.241 8.139 ( 0.000 3.220 0.369) 3.241 8.311 ( 0.000 -4.035 -3.326) 5.229 8.311 ( 0.000 -4.035 3.326) 5.229 15.334 ( 0.000 -6.220 -3.251) 7.018 15.334 ( 0.000 -6.220 3.251) 7.018 15.389 ( -0.000 -5.532 -3.337) 6.461 15.389 ( -0.000 -5.532 3.337) 6.461 15.689 ( 0.000 -0.621 -0.169) 0.644 15.689 ( 0.000 -0.621 0.169) 0.644 15.820 ( 0.000 -1.486 -1.316) 1.985 15.820 ( 0.000 -1.486 1.316) 1.985 15.938 ( 0.000 -1.020 -0.506) 1.139 15.938 ( -0.000 -1.020 0.506) 1.139 16.081 ( 0.000 -1.433 -1.292) 1.930 16.081 ( 0.000 -1.433 1.292) 1.930 18.933 ( 0.000 1.320 -2.572) 2.891 18.933 ( 0.000 1.320 2.572) 2.891 19.052 ( 0.000 -0.551 -2.189) 2.257 19.052 ( 0.000 -0.551 2.189) 2.257 33.976 ( 0.000 3.022 -0.264) 3.033 33.976 ( 0.000 3.022 0.264) 3.033 34.787 ( 0.000 3.820 -0.949) 3.936 34.787 ( 0.000 3.820 0.949) 3.936 35.866 ( 0.000 -0.102 -0.083) 0.132 35.866 ( 0.000 -0.102 0.083) 0.132 37.128 ( 0.000 3.614 -0.197) 3.619 37.128 ( 0.000 3.614 0.197) 3.619 43.032 ( 0.000 2.825 -1.705) 3.299 43.032 ( 0.000 2.825 1.705) 3.299 43.399 ( 0.000 7.730 -3.583) 8.521 43.399 ( 0.000 7.730 3.583) 8.521 43.699 ( 0.000 11.109 -1.547) 11.216 43.699 ( 0.000 11.109 1.547) 11.216 43.829 ( 0.000 6.143 -2.350) 6.577 43.829 ( 0.000 6.143 2.350) 6.577 43.893 ( -0.000 6.751 -1.715) 6.965 43.893 ( -0.000 6.751 1.715) 6.965 44.160 ( 0.000 4.248 -1.522) 4.512 44.160 ( 0.000 4.248 1.522) 4.512 48.574 ( 0.000 -10.231 -2.276) 10.481 48.574 ( 0.000 -10.231 2.276) 10.481 50.144 ( 0.000 -19.797 -5.665) 20.591 50.144 ( 0.000 -19.797 5.665) 20.591 50.342 ( 0.000 -12.015 -6.328) 13.579 50.342 ( 0.000 -12.015 6.328) 13.579 50.695 ( 0.000 -2.972 -4.208) 5.152 50.695 ( 0.000 -2.972 4.208) 5.152 51.003 ( 0.000 -10.739 -5.507) 12.069 51.003 ( 0.000 -10.739 5.507) 12.069 51.398 ( 0.000 -40.823 -4.560) 41.077 51.398 ( 0.000 -40.823 4.560) 41.077 91.356 ( 0.000 -1.801 -1.587) 2.400 91.356 ( 0.000 -1.801 1.587) 2.400 91.402 ( 0.000 -0.431 -0.936) 1.030 91.402 ( 0.000 -0.431 0.936) 1.030 91.541 ( 0.000 -1.634 -0.431) 1.690 91.541 ( 0.000 -1.634 0.431) 1.690 91.668 ( 0.000 -3.235 -2.502) 4.090 91.668 ( 0.000 -3.235 2.502) 4.090 93.446 ( 0.000 -1.127 -8.162) 8.240 93.446 ( 0.000 -1.127 8.162) 8.240 93.603 ( -0.000 3.778 -7.968) 8.818 93.603 ( -0.000 3.778 7.968) 8.818 94.477 ( 0.000 -0.015 -1.805) 1.805 94.477 ( 0.000 -0.015 1.805) 1.805 94.943 ( 0.000 -8.502 -3.789) 9.308 94.943 ( 0.000 -8.502 3.789) 9.308 ======================= Grid point 399 (121/128) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 0.000 5.173 -3.449) 6.217 2.474 ( 0.000 5.173 3.449) 6.217 2.477 ( 0.000 2.816 -3.784) 4.717 2.477 ( 0.000 2.816 3.784) 4.717 2.617 ( 0.000 -0.693 -8.518) 8.546 2.617 ( 0.000 -0.693 8.518) 8.546 2.899 ( 0.000 3.551 -7.625) 8.411 2.899 ( 0.000 3.551 7.625) 8.411 3.136 ( 0.000 6.189 -4.930) 7.912 3.136 ( 0.000 6.189 4.931) 7.913 3.194 ( 0.000 -3.558 -5.580) 6.618 3.194 ( 0.000 -3.558 5.580) 6.618 3.295 ( 0.000 1.337 -1.781) 2.227 3.295 ( 0.000 1.337 1.781) 2.227 3.933 ( 0.000 3.093 -5.832) 6.602 3.933 ( 0.000 3.093 5.832) 6.602 4.922 ( 0.000 -7.132 -24.739) 25.746 4.922 ( 0.000 -7.132 24.739) 25.746 5.547 ( 0.000 -2.809 -12.869) 13.172 5.547 ( 0.000 -2.809 12.869) 13.172 6.787 ( 0.000 -0.111 -9.247) 9.248 6.787 ( 0.000 -0.111 9.247) 9.248 6.851 ( 0.000 -0.653 -2.461) 2.546 6.851 ( 0.000 -0.653 2.461) 2.546 7.193 ( 0.000 -0.517 -1.741) 1.816 7.193 ( 0.000 -0.517 1.741) 1.816 7.791 ( 0.000 2.522 -11.700) 11.969 7.791 ( 0.000 2.522 11.700) 11.969 8.194 ( 0.000 2.218 -2.705) 3.498 8.194 ( 0.000 2.218 2.705) 3.498 8.312 ( 0.000 -5.332 -7.240) 8.991 8.312 ( 0.000 -5.332 7.240) 8.991 15.140 ( 0.000 -3.324 -2.726) 4.299 15.140 ( 0.000 -3.324 2.726) 4.299 15.359 ( 0.000 -3.370 -4.060) 5.277 15.359 ( 0.000 -3.370 4.060) 5.277 15.534 ( 0.000 -3.147 -2.149) 3.811 15.534 ( 0.000 -3.147 2.149) 3.811 15.853 ( 0.000 1.824 -3.171) 3.658 15.853 ( 0.000 1.824 3.171) 3.658 15.974 ( 0.000 0.603 -2.459) 2.532 15.974 ( 0.000 0.603 2.459) 2.532 16.135 ( 0.000 -1.769 -1.720) 2.467 16.135 ( 0.000 -1.769 1.720) 2.467 18.934 ( 0.000 0.627 -1.778) 1.885 18.934 ( 0.000 0.627 1.778) 1.885 19.112 ( 0.000 -0.361 -4.257) 4.272 19.112 ( 0.000 -0.361 4.257) 4.272 34.028 ( 0.000 1.525 -1.026) 1.838 34.028 ( 0.000 1.525 1.026) 1.838 34.844 ( 0.000 1.456 -0.590) 1.571 34.844 ( 0.000 1.456 0.590) 1.571 35.782 ( 0.000 0.143 -3.126) 3.129 35.782 ( 0.000 0.143 3.126) 3.129 37.207 ( 0.000 2.099 -3.084) 3.731 37.207 ( 0.000 2.099 3.084) 3.731 42.756 ( 0.000 0.207 -13.034) 13.035 42.756 ( 0.000 0.207 13.034) 13.035 43.618 ( 0.000 3.846 -1.492) 4.125 43.618 ( 0.000 3.846 1.492) 4.125 43.769 ( 0.000 8.416 -1.395) 8.531 43.769 ( 0.000 8.416 1.395) 8.531 43.798 ( 0.000 6.997 -1.228) 7.104 43.798 ( 0.000 6.997 1.228) 7.104 44.223 ( 0.000 2.705 -3.619) 4.518 44.223 ( 0.000 2.705 3.619) 4.518 44.456 ( 0.000 1.525 -6.117) 6.304 44.456 ( 0.000 1.525 6.117) 6.304 48.604 ( 0.000 -16.293 -5.466) 17.185 48.604 ( 0.000 -16.293 5.466) 17.185 49.653 ( 0.000 -10.739 -4.663) 11.707 49.653 ( 0.000 -10.739 4.663) 11.707 50.005 ( 0.000 -4.520 -3.570) 5.760 50.005 ( 0.000 -4.520 3.570) 5.760 50.525 ( 0.000 -5.207 -20.331) 20.988 50.525 ( 0.000 -5.207 20.331) 20.988 50.564 ( 0.000 -9.270 -6.310) 11.214 50.564 ( 0.000 -9.270 6.310) 11.214 51.287 ( 0.000 -6.436 -7.389) 9.799 51.287 ( 0.000 -6.436 7.389) 9.799 91.358 ( 0.000 -0.546 -1.418) 1.520 91.358 ( 0.000 -0.546 1.418) 1.520 91.392 ( 0.000 -1.142 -3.467) 3.650 91.392 ( 0.000 -1.142 3.467) 3.650 91.432 ( 0.000 -1.090 -0.805) 1.355 91.432 ( 0.000 -1.090 0.805) 1.355 91.566 ( 0.000 -0.163 -0.287) 0.330 91.566 ( 0.000 -0.163 0.287) 0.330 93.287 ( 0.000 2.707 -6.570) 7.106 93.287 ( 0.000 2.707 6.570) 7.106 94.012 ( 0.000 -0.361 -5.476) 5.487 94.012 ( 0.000 -0.361 5.476) 5.488 94.278 ( 0.000 0.637 -1.955) 2.056 94.278 ( 0.000 0.637 1.955) 2.056 94.888 ( 0.000 -6.803 -6.107) 9.142 94.888 ( 0.000 -6.803 6.107) 9.142 ======================= Grid point 401 (122/128) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -2.913 2.915 -2.077) 4.615 2.379 ( -2.913 2.915 2.077) 4.615 2.562 ( -0.736 -0.474 -5.301) 5.373 2.562 ( -0.736 -0.474 5.301) 5.373 2.696 ( 9.932 6.529 -4.562) 12.731 2.696 ( 9.932 6.529 4.562) 12.731 2.925 ( 1.103 3.660 -7.018) 7.991 2.925 ( 1.103 3.660 7.018) 7.991 3.098 ( -1.335 1.901 -3.068) 3.848 3.098 ( -1.335 1.901 3.069) 3.848 3.246 ( 3.089 -0.914 -2.904) 4.337 3.246 ( 3.089 -0.914 2.904) 4.337 3.346 ( 5.625 1.201 -4.259) 7.157 3.346 ( 5.625 1.201 4.259) 7.157 3.929 ( -0.685 3.262 -5.429) 6.371 3.929 ( -0.685 3.262 5.429) 6.371 4.926 ( 0.596 -6.564 -23.931) 24.822 4.926 ( 0.596 -6.564 23.931) 24.822 5.483 ( -6.167 -3.608 -14.512) 16.175 5.483 ( -6.167 -3.608 14.512) 16.175 6.766 ( -1.131 1.141 -7.039) 7.220 6.766 ( -1.131 1.141 7.040) 7.221 6.905 ( 3.920 -1.980 -3.943) 5.902 6.905 ( 3.920 -1.980 3.943) 5.902 7.194 ( 0.479 0.338 -1.482) 1.594 7.194 ( 0.479 0.338 1.482) 1.594 7.755 ( -3.559 0.896 -11.768) 12.327 7.755 ( -3.559 0.896 11.768) 12.327 8.196 ( 0.141 2.243 -2.392) 3.282 8.196 ( 0.141 2.243 2.392) 3.282 8.294 ( -1.466 -4.277 -5.581) 7.183 8.294 ( -1.466 -4.277 5.581) 7.183 15.159 ( 1.806 -3.347 -2.870) 4.765 15.159 ( 1.806 -3.347 2.870) 4.765 15.349 ( -0.900 -3.317 -3.973) 5.253 15.349 ( -0.900 -3.317 3.973) 5.253 15.554 ( 2.014 -3.052 -1.908) 4.124 15.554 ( 2.014 -3.052 1.908) 4.124 15.839 ( -1.266 1.292 -2.428) 3.028 15.839 ( -1.266 1.292 2.428) 3.028 15.983 ( 0.569 0.931 -1.774) 2.082 15.983 ( 0.569 0.931 1.774) 2.082 16.110 ( -2.191 -1.670 -1.689) 3.231 16.110 ( -2.191 -1.670 1.689) 3.231 18.938 ( 0.470 0.742 -1.993) 2.178 18.938 ( 0.470 0.742 1.993) 2.178 19.095 ( -1.562 -0.432 -4.073) 4.383 19.095 ( -1.562 -0.432 4.073) 4.383 34.027 ( -0.132 1.543 -0.894) 1.788 34.027 ( -0.132 1.543 0.894) 1.788 34.843 ( -0.095 1.513 -0.559) 1.616 34.843 ( -0.095 1.513 0.559) 1.616 35.803 ( 1.922 0.109 -2.676) 3.296 35.803 ( 1.922 0.109 2.676) 3.296 37.202 ( -0.477 2.099 -2.658) 3.421 37.202 ( -0.477 2.099 2.658) 3.421 42.820 ( 5.989 0.172 -11.790) 13.225 42.820 ( 5.989 0.172 11.790) 13.225 43.611 ( -1.391 4.673 -1.130) 5.005 43.611 ( -1.391 4.673 1.130) 5.005 43.755 ( 1.376 6.313 -1.252) 6.581 43.755 ( 1.376 6.313 1.252) 6.581 43.842 ( 2.272 7.434 -0.239) 7.777 43.842 ( 2.272 7.434 0.239) 7.777 44.195 ( -2.779 3.404 -3.190) 5.429 44.195 ( -2.779 3.404 3.190) 5.429 44.399 ( -5.314 1.348 -5.495) 7.762 44.399 ( -5.314 1.348 5.495) 7.762 48.558 ( -4.011 -12.801 -4.512) 14.153 48.558 ( -4.011 -12.801 4.512) 14.153 49.699 ( 3.832 -11.692 -5.530) 13.489 49.699 ( 3.832 -11.692 5.530) 13.489 50.056 ( 4.794 -4.864 -2.945) 7.437 50.056 ( 4.794 -4.864 2.945) 7.437 50.492 ( -1.007 -4.046 -14.227) 14.825 50.492 ( -1.007 -4.046 14.227) 14.825 50.618 ( 3.475 -12.358 -8.142) 15.202 50.618 ( 3.475 -12.358 8.142) 15.202 51.222 ( -6.363 -6.674 -6.740) 11.422 51.222 ( -6.363 -6.674 6.740) 11.422 91.349 ( -0.737 -0.783 -0.937) 1.426 91.349 ( -0.737 -0.783 0.937) 1.426 91.393 ( 0.117 -0.600 -2.241) 2.323 91.393 ( 0.117 -0.600 2.241) 2.323 91.452 ( 1.816 -1.178 -1.004) 2.386 91.452 ( 1.816 -1.178 1.004) 2.386 91.583 ( 1.424 -0.534 -0.340) 1.558 91.583 ( 1.424 -0.534 0.340) 1.558 93.308 ( 2.103 2.321 -6.527) 7.239 93.308 ( 2.103 2.321 6.527) 7.239 93.925 ( -7.200 0.095 -5.593) 9.117 93.925 ( -7.200 0.095 5.593) 9.117 94.341 ( 4.869 0.434 -1.576) 5.136 94.341 ( 4.869 0.434 1.576) 5.136 94.868 ( -1.879 -6.591 -5.682) 8.903 94.868 ( -1.879 -6.591 5.682) 8.903 ======================= Grid point 403 (123/128) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -1.990 1.745 -1.694) 3.143 2.332 ( -1.990 1.745 1.694) 3.143 2.570 ( 1.814 0.807 -6.908) 7.188 2.570 ( 1.814 0.807 6.908) 7.188 2.846 ( 2.368 7.232 -5.640) 9.472 2.846 ( 2.368 7.232 5.640) 9.472 2.924 ( 0.737 4.513 -1.926) 4.962 2.924 ( 0.737 4.513 1.926) 4.962 3.107 ( 1.362 0.253 -3.290) 3.570 3.107 ( 1.362 0.253 3.290) 3.570 3.309 ( 3.129 -0.397 -1.670) 3.569 3.309 ( 3.129 -0.397 1.670) 3.569 3.517 ( 10.806 0.936 -6.269) 12.528 3.517 ( 10.806 0.936 6.269) 12.528 3.887 ( -4.021 3.426 -4.711) 7.078 3.887 ( -4.021 3.426 4.711) 7.078 4.957 ( 2.747 -4.904 -21.270) 22.000 4.957 ( 2.747 -4.904 21.270) 22.000 5.326 ( -8.605 -5.792 -19.059) 21.699 5.326 ( -8.605 -5.792 19.059) 21.699 6.751 ( -0.430 1.865 -5.095) 5.443 6.751 ( -0.430 1.865 5.095) 5.443 6.966 ( 1.630 -2.007 -2.798) 3.810 6.966 ( 1.630 -2.007 2.798) 3.810 7.235 ( 3.852 1.767 -4.473) 6.162 7.235 ( 3.852 1.767 4.473) 6.162 7.655 ( -6.003 -2.861 -10.032) 12.036 7.655 ( -6.003 -2.861 10.032) 12.036 8.197 ( -0.076 2.310 -1.520) 2.766 8.197 ( -0.076 2.310 1.520) 2.766 8.269 ( -0.818 -2.269 -2.714) 3.631 8.269 ( -0.818 -2.269 2.714) 3.631 15.203 ( 2.348 -3.445 -2.964) 5.115 15.203 ( 2.348 -3.445 2.964) 5.115 15.325 ( -1.443 -3.168 -3.522) 4.952 15.325 ( -1.443 -3.168 3.522) 4.952 15.610 ( 3.381 -2.603 -1.222) 4.438 15.610 ( 3.381 -2.603 1.222) 4.438 15.805 ( -2.142 -0.432 -1.211) 2.498 15.805 ( -2.142 -0.431 1.211) 2.498 15.983 ( -0.774 1.993 -1.869) 2.839 15.983 ( -0.774 1.993 1.869) 2.839 16.069 ( -1.342 -1.464 -1.952) 2.785 16.069 ( -1.342 -1.464 1.952) 2.785 18.952 ( 0.862 1.167 -2.585) 2.964 18.952 ( 0.862 1.167 2.585) 2.964 19.057 ( -1.942 -0.774 -3.538) 4.109 19.057 ( -1.942 -0.774 3.538) 4.109 34.024 ( -0.128 1.579 -0.533) 1.671 34.024 ( -0.128 1.579 0.533) 1.671 34.841 ( -0.092 1.622 -0.496) 1.699 34.841 ( -0.092 1.622 0.496) 1.699 35.845 ( 1.890 0.051 -1.510) 2.420 35.845 ( 1.890 0.051 1.510) 2.420 37.191 ( -0.473 2.097 -1.521) 2.633 37.191 ( -0.473 2.097 1.521) 2.633 42.967 ( 7.568 0.203 -7.861) 10.914 42.967 ( 7.568 0.203 7.861) 10.914 43.563 ( -2.765 5.164 -0.670) 5.896 43.563 ( -2.765 5.164 0.670) 5.896 43.829 ( 4.308 3.757 -2.723) 6.331 43.829 ( 4.308 3.757 2.723) 6.331 43.873 ( 1.667 7.205 -1.777) 7.606 43.873 ( 1.667 7.205 1.777) 7.606 44.116 ( -5.117 5.145 -1.111) 7.341 44.116 ( -5.117 5.145 1.112) 7.341 44.279 ( -5.437 1.158 -3.164) 6.396 44.279 ( -5.437 1.158 3.164) 6.396 48.475 ( -3.587 -6.899 -2.606) 8.201 48.475 ( -3.587 -6.899 2.606) 8.201 49.773 ( 2.981 -12.745 -5.204) 14.085 49.773 ( 2.981 -12.745 5.204) 14.085 50.157 ( 3.850 -3.887 -4.220) 6.910 50.157 ( 3.850 -3.887 4.220) 6.910 50.526 ( 4.876 -5.735 -8.437) 11.307 50.526 ( 4.876 -5.735 8.437) 11.307 50.684 ( 3.166 -15.775 -6.977) 17.537 50.684 ( 3.166 -15.775 6.977) 17.537 51.046 ( -10.633 -7.321 -5.068) 13.869 51.046 ( -10.633 -7.321 5.068) 13.869 91.335 ( -0.512 -0.860 -0.764) 1.259 91.335 ( -0.512 -0.860 0.764) 1.259 91.395 ( 0.102 -0.259 -1.027) 1.064 91.395 ( 0.102 -0.259 1.027) 1.064 91.493 ( 1.935 -1.048 -0.872) 2.367 91.493 ( 1.935 -1.048 0.872) 2.367 91.610 ( 1.065 -1.211 -1.002) 1.899 91.610 ( 1.065 -1.211 1.002) 1.899 93.371 ( 4.106 1.130 -6.107) 7.445 93.371 ( 4.106 1.130 6.107) 7.445 93.768 ( -7.816 1.121 -5.718) 9.748 93.768 ( -7.816 1.121 5.718) 9.748 94.435 ( 4.036 0.371 -1.656) 4.378 94.435 ( 4.036 0.371 1.656) 4.378 94.821 ( -2.404 -6.228 -4.324) 7.954 94.821 ( -2.404 -6.228 4.324) 7.954 ======================= Grid point 405 (124/128) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 1.414 -0.234) 1.433 2.309 ( 0.000 1.414 0.234) 1.433 2.599 ( 0.000 1.472 -0.549) 1.571 2.599 ( 0.000 1.472 0.549) 1.571 2.839 ( 0.000 5.566 -1.892) 5.878 2.839 ( 0.000 5.566 1.892) 5.878 2.949 ( 0.000 4.750 -1.171) 4.892 2.949 ( 0.000 4.750 1.172) 4.892 3.123 ( 0.000 0.915 -3.010) 3.146 3.123 ( 0.000 0.915 3.010) 3.146 3.345 ( 0.000 0.043 -1.914) 1.914 3.345 ( 0.000 0.043 1.914) 1.914 3.698 ( 0.000 0.977 -0.585) 1.138 3.698 ( 0.000 0.977 0.585) 1.138 3.787 ( -0.000 3.653 -2.702) 4.544 3.787 ( 0.000 3.653 2.703) 4.544 5.008 ( 0.000 -2.401 -16.132) 16.309 5.008 ( 0.000 -2.401 16.132) 16.309 5.210 ( 0.000 -8.600 -23.652) 25.167 5.210 ( -0.000 -8.600 23.652) 25.167 6.747 ( 0.000 1.978 -3.518) 4.036 6.747 ( 0.000 1.978 3.518) 4.036 6.978 ( 0.000 -1.159 -0.198) 1.175 6.978 ( 0.000 -1.159 0.198) 1.175 7.298 ( 0.000 3.276 -8.123) 8.759 7.298 ( 0.000 3.276 8.123) 8.759 7.572 ( 0.000 -6.033 -5.702) 8.302 7.572 ( -0.000 -6.033 5.702) 8.301 8.195 ( 0.000 2.384 -1.017) 2.592 8.195 ( 0.000 2.384 1.017) 2.592 8.261 ( 0.000 -1.424 -1.741) 2.249 8.261 ( 0.000 -1.424 1.741) 2.249 15.234 ( 0.000 -3.622 -1.599) 3.960 15.234 ( 0.000 -3.622 1.599) 3.960 15.304 ( 0.000 -2.969 -1.614) 3.380 15.304 ( -0.000 -2.969 1.614) 3.380 15.659 ( 0.000 -1.699 -0.237) 1.715 15.659 ( 0.000 -1.699 0.237) 1.715 15.771 ( -0.000 -2.401 -0.288) 2.418 15.771 ( -0.000 -2.401 0.288) 2.418 15.969 ( 0.000 2.853 -2.213) 3.611 15.969 ( -0.000 2.853 2.213) 3.611 16.058 ( 0.000 -1.257 -2.067) 2.419 16.058 ( 0.000 -1.257 2.067) 2.419 18.965 ( 0.000 1.792 -3.131) 3.607 18.965 ( 0.000 1.792 3.131) 3.607 19.033 ( 0.000 -1.359 -2.981) 3.276 19.033 ( 0.000 -1.359 2.981) 3.276 34.022 ( 0.000 1.595 -0.151) 1.603 34.022 ( 0.000 1.595 0.151) 1.603 34.840 ( 0.000 1.674 -0.463) 1.737 34.840 ( 0.000 1.674 0.463) 1.737 35.866 ( 0.000 0.027 -0.059) 0.065 35.866 ( 0.000 0.027 0.059) 0.065 37.186 ( 0.000 2.095 -0.038) 2.095 37.186 ( 0.000 2.095 0.038) 2.095 43.058 ( 0.000 0.316 -1.358) 1.394 43.058 ( 0.000 0.316 1.358) 1.394 43.528 ( 0.000 4.791 -1.098) 4.915 43.528 ( 0.000 4.791 1.098) 4.915 43.848 ( 0.000 3.999 -3.351) 5.218 43.848 ( 0.000 3.999 3.351) 5.218 43.960 ( -0.000 6.212 -4.094) 7.439 43.960 ( 0.000 6.212 4.094) 7.439 44.012 ( 0.000 5.051 -1.657) 5.315 44.012 ( -0.000 5.051 1.657) 5.315 44.222 ( 0.000 1.902 -0.939) 2.121 44.222 ( 0.000 1.902 0.939) 2.121 48.437 ( 0.000 -4.312 -1.226) 4.483 48.437 ( 0.000 -4.312 1.226) 4.483 49.804 ( 0.000 -13.171 -3.040) 13.517 49.804 ( 0.000 -13.171 3.040) 13.517 50.191 ( 0.000 -2.227 -6.067) 6.463 50.191 ( 0.000 -2.227 6.067) 6.463 50.612 ( 0.000 -12.115 -3.527) 12.618 50.612 ( 0.000 -12.115 3.527) 12.618 50.753 ( -0.000 -11.959 -0.436) 11.967 50.753 ( 0.000 -11.959 0.436) 11.967 50.871 ( 0.000 -8.534 -1.853) 8.733 50.871 ( -0.000 -8.534 1.853) 8.733 91.330 ( 0.000 -0.857 -0.729) 1.125 91.330 ( 0.000 -0.857 0.729) 1.125 91.396 ( 0.000 -0.184 -0.380) 0.422 91.396 ( 0.000 -0.184 0.380) 0.422 91.515 ( 0.000 -0.898 -0.101) 0.904 91.515 ( 0.000 -0.898 0.101) 0.904 91.621 ( 0.000 -1.568 -1.098) 1.914 91.621 ( 0.000 -1.568 1.098) 1.914 93.433 ( 0.000 -0.344 -4.316) 4.329 93.433 ( 0.000 -0.344 4.316) 4.329 93.667 ( -0.000 2.470 -4.389) 5.036 93.667 ( -0.000 2.470 4.389) 5.036 94.480 ( 0.000 0.464 -1.690) 1.753 94.480 ( 0.000 0.464 1.690) 1.753 94.792 ( 0.000 -6.140 -2.744) 6.725 94.792 ( 0.000 -6.140 2.744) 6.725 ======================= Grid point 413 (125/128) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.000 0.000 -1.224) 1.224 2.499 ( 0.000 0.000 1.224) 1.224 2.523 ( 0.000 0.000 -5.555) 5.555 2.523 ( 0.000 0.000 5.555) 5.555 2.611 ( 0.000 -0.000 -10.771) 10.771 2.611 ( 0.000 0.000 10.771) 10.771 2.950 ( 0.000 0.000 -2.098) 2.098 2.950 ( 0.000 0.000 2.098) 2.098 3.144 ( 0.000 0.000 -0.272) 0.272 3.144 ( 0.000 0.000 0.272) 0.272 3.208 ( 0.000 -0.000 -3.262) 3.262 3.208 ( 0.000 0.001 3.262) 3.262 3.312 ( 0.000 0.001 -1.401) 1.401 3.312 ( 0.000 -0.000 1.401) 1.401 3.964 ( 0.000 0.000 -6.404) 6.404 3.964 ( 0.000 0.000 6.404) 6.404 4.838 ( 0.000 0.000 -27.183) 27.183 4.838 ( 0.000 0.000 27.183) 27.183 5.520 ( 0.000 0.000 -14.280) 14.280 5.520 ( 0.000 0.000 14.280) 14.280 6.786 ( 0.000 0.000 -9.587) 9.587 6.786 ( 0.000 0.000 9.587) 9.587 6.846 ( 0.000 0.000 -0.401) 0.401 6.846 ( 0.000 0.000 0.401) 0.401 7.187 ( 0.000 0.000 -0.846) 0.846 7.187 ( 0.000 0.000 0.846) 0.846 7.822 ( 0.000 0.000 -15.639) 15.639 7.822 ( 0.000 0.000 15.639) 15.639 8.217 ( 0.000 0.000 -2.859) 2.859 8.217 ( 0.000 0.000 2.859) 2.859 8.254 ( 0.000 -0.000 -2.596) 2.596 8.254 ( 0.000 0.000 2.596) 2.596 15.106 ( 0.000 0.000 -2.659) 2.659 15.106 ( 0.000 0.000 2.659) 2.659 15.325 ( 0.000 0.000 -3.994) 3.994 15.325 ( 0.000 0.000 3.994) 3.994 15.502 ( 0.000 0.000 -2.022) 2.022 15.502 ( 0.000 0.000 2.022) 2.022 15.872 ( 0.000 0.000 -3.025) 3.025 15.872 ( 0.000 0.000 3.025) 3.025 15.977 ( 0.000 0.000 -2.065) 2.065 15.977 ( 0.000 0.000 2.065) 2.065 16.121 ( 0.000 0.000 -2.020) 2.020 16.121 ( 0.000 0.000 2.020) 2.020 18.941 ( 0.000 0.000 -1.682) 1.682 18.941 ( 0.000 0.000 1.682) 1.682 19.108 ( 0.000 0.000 -4.674) 4.674 19.108 ( 0.000 0.000 4.674) 4.674 34.043 ( 0.000 0.000 -1.110) 1.110 34.043 ( 0.000 0.000 1.110) 1.110 34.858 ( 0.000 0.000 -0.060) 0.060 34.858 ( 0.000 0.000 0.060) 0.060 35.783 ( 0.000 0.000 -3.278) 3.278 35.783 ( 0.000 0.000 3.278) 3.278 37.228 ( 0.000 0.000 -3.026) 3.026 37.228 ( 0.000 0.000 3.026) 3.026 42.758 ( 0.000 0.000 -13.801) 13.801 42.758 ( 0.000 0.000 13.801) 13.801 43.655 ( 0.000 0.000 -0.732) 0.732 43.655 ( 0.000 0.000 0.732) 0.732 43.859 ( 0.000 0.000 -2.515) 2.515 43.859 ( 0.000 0.000 2.515) 2.515 43.871 ( 0.000 0.000 -1.737) 1.737 43.871 ( 0.000 0.000 1.737) 1.737 44.246 ( 0.000 0.000 -3.779) 3.779 44.246 ( 0.000 0.000 3.779) 3.779 44.471 ( 0.000 0.000 -6.340) 6.340 44.471 ( 0.000 0.000 6.340) 6.340 48.442 ( 0.000 0.000 -8.331) 8.331 48.442 ( 0.000 0.000 8.331) 8.331 49.541 ( 0.000 0.000 -5.593) 5.593 49.541 ( 0.000 0.000 5.593) 5.593 49.960 ( 0.000 0.000 -6.166) 6.166 49.960 ( 0.000 0.000 6.166) 6.166 50.472 ( 0.000 0.000 -21.066) 21.066 50.472 ( 0.000 0.000 21.066) 21.066 50.474 ( 0.000 0.000 -6.792) 6.792 50.474 ( 0.000 0.000 6.792) 6.792 51.223 ( 0.000 0.000 -8.114) 8.114 51.223 ( 0.000 -0.000 8.114) 8.114 91.352 ( 0.000 0.000 -1.479) 1.479 91.352 ( 0.000 0.000 1.479) 1.479 91.381 ( 0.000 0.000 -3.079) 3.079 91.381 ( 0.000 0.000 3.079) 3.079 91.421 ( 0.000 0.000 -0.538) 0.538 91.421 ( 0.000 0.000 0.538) 0.538 91.565 ( 0.000 0.000 -0.189) 0.189 91.565 ( 0.000 0.000 0.189) 0.189 93.314 ( 0.000 0.000 -5.209) 5.209 93.314 ( 0.000 0.000 5.209) 5.209 94.008 ( 0.000 0.000 -5.323) 5.323 94.008 ( 0.000 0.000 5.323) 5.323 94.287 ( 0.000 0.000 -0.661) 0.661 94.287 ( 0.000 0.000 0.662) 0.662 94.816 ( 0.000 0.000 -5.745) 5.745 94.816 ( 0.000 0.000 5.745) 5.745 ======================= Grid point 417 (126/128) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -3.499 0.000 -0.379) 3.520 2.406 ( -3.499 0.000 0.379) 3.520 2.557 ( -0.517 -0.000 -7.733) 7.750 2.557 ( -0.517 0.000 7.733) 7.750 2.760 ( 12.165 0.000 -5.764) 13.461 2.760 ( 12.165 0.000 5.764) 13.461 2.973 ( 0.971 0.000 -5.151) 5.241 2.973 ( 0.971 0.000 5.151) 5.241 3.102 ( -2.426 0.000 -0.042) 2.426 3.102 ( -2.426 -0.000 0.042) 2.426 3.242 ( 2.399 -0.000 -1.901) 3.061 3.242 ( 2.399 0.000 1.901) 3.061 3.368 ( 5.686 0.000 -3.648) 6.756 3.368 ( 5.686 -0.000 3.648) 6.756 3.963 ( -0.498 0.000 -5.869) 5.890 3.963 ( -0.498 0.000 5.869) 5.890 4.848 ( 1.173 0.000 -26.508) 26.534 4.848 ( 1.173 0.000 26.508) 26.534 5.447 ( -6.973 0.000 -15.247) 16.766 5.447 ( -6.973 0.000 15.247) 16.766 6.779 ( -0.461 0.000 -7.047) 7.062 6.779 ( -0.461 0.000 7.047) 7.062 6.885 ( 3.174 0.000 -1.749) 3.624 6.885 ( 3.174 0.000 1.749) 3.624 7.199 ( 1.439 0.000 -0.915) 1.705 7.199 ( 1.439 0.000 0.915) 1.705 7.766 ( -5.409 0.000 -15.015) 15.959 7.766 ( -5.409 0.000 15.015) 15.959 8.220 ( 0.270 0.000 -2.601) 2.615 8.220 ( 0.270 0.000 2.601) 2.615 8.249 ( -0.416 -0.000 -1.696) 1.746 8.249 ( -0.416 0.000 1.696) 1.746 15.125 ( 1.778 0.000 -2.788) 3.307 15.125 ( 1.778 0.000 2.788) 3.307 15.316 ( -0.847 0.000 -3.899) 3.990 15.316 ( -0.847 0.000 3.899) 3.990 15.523 ( 2.109 0.000 -1.797) 2.771 15.523 ( 2.109 0.000 1.797) 2.771 15.851 ( -1.930 0.000 -1.972) 2.760 15.851 ( -1.930 0.000 1.972) 2.760 15.991 ( 1.153 0.000 -0.956) 1.498 15.991 ( 1.153 0.000 0.956) 1.498 16.096 ( -2.211 0.000 -2.015) 2.992 16.096 ( -2.211 0.000 2.015) 2.992 18.947 ( 0.614 0.000 -1.904) 2.001 18.947 ( 0.614 0.000 1.904) 2.001 19.090 ( -1.668 0.000 -4.497) 4.797 19.090 ( -1.668 0.000 4.497) 4.797 34.042 ( -0.116 0.000 -0.963) 0.970 34.042 ( -0.116 0.000 0.963) 0.970 34.858 ( -0.046 0.000 -0.055) 0.072 34.858 ( -0.046 0.000 0.055) 0.072 35.804 ( 1.895 0.000 -2.814) 3.393 35.804 ( 1.895 0.000 2.814) 3.393 37.223 ( -0.477 0.000 -2.610) 2.653 37.223 ( -0.477 0.000 2.610) 2.653 42.820 ( 5.958 0.000 -12.488) 13.837 42.820 ( 5.958 0.000 12.488) 13.837 43.656 ( -0.650 0.000 -0.339) 0.734 43.656 ( -0.650 0.000 0.339) 0.734 43.822 ( -0.110 0.000 -0.982) 0.988 43.822 ( -0.110 0.000 0.982) 0.988 43.921 ( 1.990 0.000 -0.647) 2.093 43.921 ( 1.990 0.000 0.647) 2.093 44.227 ( -1.722 0.000 -3.529) 3.926 44.227 ( -1.722 0.000 3.529) 3.926 44.411 ( -5.618 0.000 -6.052) 8.258 44.411 ( -5.618 0.000 6.052) 8.258 48.429 ( -1.113 0.000 -7.126) 7.213 48.429 ( -1.113 0.000 7.127) 7.213 49.578 ( 3.244 0.000 -6.390) 7.166 49.578 ( 3.244 0.000 6.390) 7.166 50.010 ( 4.891 0.000 -4.677) 6.768 50.010 ( 4.891 0.000 4.677) 6.768 50.449 ( -1.929 0.000 -17.731) 17.836 50.449 ( -1.929 0.000 17.731) 17.836 50.497 ( 2.106 -0.000 -5.255) 5.661 50.497 ( 2.106 0.000 5.255) 5.661 51.157 ( -6.457 0.000 -7.671) 10.027 51.157 ( -6.457 -0.000 7.671) 10.027 91.341 ( -0.805 0.000 -0.491) 0.943 91.341 ( -0.805 0.000 0.491) 0.943 91.387 ( 0.376 0.000 -1.897) 1.934 91.387 ( 0.376 0.000 1.897) 1.934 91.441 ( 1.800 0.000 -0.777) 1.960 91.441 ( 1.800 0.000 0.777) 1.960 91.578 ( 1.111 0.000 -0.183) 1.126 91.578 ( 1.111 0.000 0.183) 1.126 93.331 ( 1.702 0.000 -5.086) 5.363 93.331 ( 1.702 0.000 5.086) 5.363 93.927 ( -6.787 0.000 -5.126) 8.506 93.927 ( -6.787 0.000 5.126) 8.506 94.347 ( 4.758 0.000 -0.835) 4.831 94.347 ( 4.758 0.000 0.835) 4.831 94.798 ( -1.707 0.000 -5.340) 5.606 94.798 ( -1.707 0.000 5.340) 5.606 ======================= Grid point 421 (127/128) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -2.304 0.000 -1.350) 2.670 2.349 ( -2.304 0.000 1.350) 2.670 2.577 ( 2.372 0.000 -7.077) 7.464 2.577 ( 2.372 0.000 7.077) 7.464 2.936 ( -0.290 0.000 -3.764) 3.776 2.936 ( -0.290 0.000 3.764) 3.775 2.964 ( 2.642 -0.000 -0.133) 2.645 2.964 ( 2.642 0.000 0.133) 2.645 3.100 ( 2.068 0.000 -0.360) 2.100 3.100 ( 2.069 0.000 0.360) 2.100 3.298 ( 3.124 0.000 -0.387) 3.148 3.298 ( 3.124 0.000 0.387) 3.148 3.538 ( 10.916 0.000 -5.386) 12.173 3.538 ( 10.916 0.000 5.386) 12.173 3.922 ( -4.076 0.000 -4.712) 6.230 3.922 ( -4.076 0.000 4.712) 6.230 4.896 ( 3.957 0.000 -23.847) 24.173 4.896 ( 3.957 0.000 23.847) 24.173 5.267 ( -10.075 0.000 -17.245) 19.972 5.267 ( -10.075 0.000 17.245) 19.972 6.771 ( -0.276 0.000 -3.927) 3.937 6.771 ( -0.276 0.000 3.927) 3.937 6.942 ( 1.952 0.000 -1.993) 2.790 6.942 ( 1.952 0.000 1.993) 2.790 7.264 ( 5.472 0.000 -2.808) 6.150 7.264 ( 5.472 0.000 2.808) 6.150 7.618 ( -8.846 0.000 -12.176) 15.050 7.619 ( -8.846 0.000 12.176) 15.050 8.225 ( 0.171 0.000 -1.626) 1.635 8.225 ( 0.171 -0.000 1.626) 1.635 8.243 ( -0.124 0.000 -0.492) 0.508 8.243 ( -0.124 0.000 0.492) 0.508 15.168 ( 2.262 0.000 -2.746) 3.558 15.168 ( 2.262 0.000 2.746) 3.558 15.293 ( -1.337 0.000 -3.325) 3.584 15.293 ( -1.337 0.000 3.325) 3.584 15.583 ( 3.718 0.000 -1.191) 3.904 15.583 ( 3.718 0.000 1.191) 3.904 15.798 ( -3.290 0.000 -0.627) 3.349 15.798 ( -3.290 0.000 0.627) 3.349 16.013 ( 0.860 0.000 -0.804) 1.177 16.013 ( 0.860 0.000 0.804) 1.177 16.048 ( -2.164 0.000 -2.211) 3.093 16.048 ( -2.164 0.000 2.211) 3.093 18.966 ( 1.356 0.000 -2.496) 2.841 18.966 ( 1.356 0.000 2.496) 2.841 19.047 ( -2.402 0.000 -3.996) 4.662 19.047 ( -2.402 0.000 3.996) 4.662 34.040 ( -0.113 0.000 -0.558) 0.569 34.040 ( -0.113 0.000 0.558) 0.569 34.857 ( -0.046 0.000 -0.035) 0.058 34.857 ( -0.046 0.000 0.035) 0.058 35.845 ( 1.869 0.000 -1.597) 2.459 35.845 ( 1.869 0.000 1.597) 2.459 37.212 ( -0.474 0.000 -1.495) 1.568 37.212 ( -0.474 0.000 1.495) 1.568 42.967 ( 7.597 0.000 -8.283) 11.239 42.967 ( 7.597 0.000 8.283) 11.239 43.615 ( -2.874 0.000 -0.542) 2.925 43.615 ( -2.874 0.000 0.542) 2.925 43.867 ( 3.012 0.000 -2.393) 3.847 43.867 ( 3.012 0.000 2.393) 3.847 43.946 ( 1.652 0.000 -1.923) 2.535 43.946 ( 1.652 0.000 1.923) 2.535 44.175 ( -4.115 0.000 -2.862) 5.013 44.175 ( -4.115 0.000 2.862) 5.013 44.285 ( -5.356 0.000 -4.654) 7.096 44.285 ( -5.356 0.000 4.654) 7.096 48.406 ( -1.064 0.000 -4.033) 4.171 48.406 ( -1.064 0.000 4.033) 4.171 49.642 ( 2.553 0.000 -5.436) 6.006 49.642 ( 2.553 0.000 5.436) 6.006 50.141 ( 7.327 0.000 -3.446) 8.097 50.141 ( 7.327 0.000 3.446) 8.097 50.396 ( -3.244 0.000 -13.934) 14.307 50.396 ( -3.244 0.000 13.934) 14.307 50.572 ( 5.833 0.000 -6.646) 8.843 50.572 ( 5.833 0.000 6.646) 8.843 50.980 ( -10.722 0.000 -6.710) 12.649 50.980 ( -10.722 -0.000 6.710) 12.649 91.327 ( -0.505 0.000 -0.069) 0.510 91.327 ( -0.505 0.000 0.069) 0.510 91.392 ( 0.178 0.000 -0.858) 0.876 91.392 ( 0.178 0.000 0.858) 0.876 91.482 ( 2.042 0.000 -0.823) 2.202 91.482 ( 2.042 0.000 0.823) 2.202 91.599 ( 0.749 0.000 -0.570) 0.941 91.599 ( 0.749 0.000 0.570) 0.941 93.383 ( 3.288 0.000 -4.326) 5.434 93.383 ( 3.288 0.000 4.326) 5.434 93.780 ( -7.085 0.000 -4.457) 8.370 93.780 ( -7.085 0.000 4.457) 8.370 94.441 ( 4.116 0.000 -1.273) 4.308 94.441 ( 4.116 0.000 1.273) 4.308 94.755 ( -2.335 0.000 -3.820) 4.477 94.755 ( -2.335 0.000 3.820) 4.477 ======================= Grid point 425 (128/128) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.000 0.000 0.000) 0.000 2.323 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.001 0.000) 0.001 3.337 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 -0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.818 ( -0.000 0.000 -0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 4.976 ( -0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.119 ( -0.000 0.000 -0.000) 0.000 5.119 ( 0.000 0.000 -0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 -0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.381 ( -0.000 -0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 -0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 8.227 ( 0.000 -0.000 0.000) 0.000 8.227 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 -0.000 -0.000) 0.000 8.242 ( 0.000 0.000 -0.000) 0.000 15.197 ( 0.000 0.000 -0.000) 0.000 15.197 ( 0.000 0.000 0.000) 0.000 15.275 ( 0.000 0.000 0.000) 0.000 15.275 ( -0.000 0.000 0.000) 0.000 15.640 ( 0.000 0.000 0.000) 0.000 15.640 ( 0.000 0.000 0.000) 0.000 15.746 ( -0.000 0.000 0.000) 0.000 15.746 ( -0.000 0.000 0.000) 0.000 16.020 ( -0.000 -0.000 -0.000) 0.000 16.020 ( 0.000 0.000 -0.000) 0.000 16.026 ( -0.000 -0.000 0.000) 0.000 16.026 ( 0.000 0.000 0.000) 0.000 18.999 ( 0.000 -0.000 -0.000) 0.000 18.999 ( 0.000 0.000 0.000) 0.001 19.003 ( -0.000 -0.000 -0.000) 0.001 19.003 ( -0.000 0.000 0.000) 0.000 34.038 ( 0.000 0.000 -0.000) 0.000 34.038 ( 0.000 0.000 0.000) 0.000 34.856 ( 0.000 0.000 0.000) 0.000 34.856 ( 0.000 0.000 0.000) 0.000 35.866 ( 0.000 0.000 0.000) 0.000 35.866 ( 0.000 0.000 0.000) 0.000 37.207 ( 0.000 0.000 0.000) 0.000 37.207 ( 0.000 0.000 0.000) 0.000 43.059 ( 0.000 0.000 0.000) 0.000 43.059 ( 0.000 0.000 0.000) 0.000 43.577 ( 0.000 0.000 -0.000) 0.000 43.577 ( 0.000 0.000 0.000) 0.000 43.885 ( 0.000 0.000 0.000) 0.000 43.885 ( 0.000 0.000 0.000) 0.000 44.023 ( -0.000 0.000 0.000) 0.000 44.023 ( 0.000 0.000 0.000) 0.000 44.072 ( -0.000 0.000 -0.000) 0.000 44.072 ( 0.000 0.000 -0.000) 0.000 44.238 ( -0.000 0.000 0.000) 0.000 44.238 ( 0.000 0.000 0.000) 0.000 48.394 ( 0.000 0.000 0.000) 0.000 48.394 ( 0.000 0.000 0.000) 0.000 49.669 ( 0.000 0.000 0.000) 0.000 49.669 ( 0.000 0.000 0.000) 0.000 50.241 ( 0.000 -0.000 -0.000) 0.000 50.241 ( 0.000 -0.000 0.000) 0.000 50.343 ( 0.000 0.000 -0.000) 0.000 50.343 ( 0.000 0.000 0.000) 0.000 50.706 ( 0.000 -0.000 -0.000) 0.000 50.706 ( -0.000 0.000 0.000) 0.000 50.792 ( 0.000 0.000 0.000) 0.000 50.792 ( 0.000 0.000 0.000) 0.000 91.322 ( 0.000 0.000 -0.000) 0.000 91.322 ( 0.000 0.000 0.000) 0.000 91.394 ( 0.000 0.000 -0.000) 0.000 91.394 ( 0.000 0.000 0.000) 0.000 91.506 ( 0.000 0.000 0.000) 0.000 91.506 ( 0.000 0.000 0.000) 0.000 91.605 ( 0.000 0.000 0.000) 0.000 91.605 ( 0.000 0.000 0.000) 0.000 93.430 ( 0.000 0.000 -0.000) 0.000 93.430 ( 0.000 0.000 0.000) 0.000 93.693 ( -0.000 0.000 0.000) 0.000 93.693 ( -0.000 0.000 0.000) 0.000 94.488 ( 0.000 0.000 0.000) 0.000 94.488 ( 0.000 0.000 0.000) 0.000 94.726 ( 0.000 0.000 0.000) 0.000 94.726 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/48384 10.0 74.501 103.467 101.186 0.000 0.000 0.000 3/48384 20.0 11.388 16.550 18.338 0.000 0.000 -0.000 3/48384 30.0 6.080 8.431 9.135 0.000 0.000 -0.000 3/48384 40.0 4.213 5.577 6.030 0.000 0.000 -0.000 3/48384 50.0 3.202 4.086 4.484 0.000 0.000 -0.000 3/48384 60.0 2.572 3.193 3.574 0.000 0.000 -0.000 3/48384 70.0 2.149 2.614 2.984 0.000 0.000 -0.000 3/48384 80.0 1.850 2.216 2.574 0.000 0.000 -0.000 3/48384 90.0 1.629 1.929 2.274 0.000 0.000 -0.000 3/48384 100.0 1.460 1.715 2.043 0.000 0.000 -0.000 3/48384 110.0 1.325 1.550 1.860 0.000 0.000 -0.000 3/48384 120.0 1.217 1.420 1.711 0.000 0.000 -0.000 3/48384 130.0 1.126 1.315 1.587 0.000 0.000 -0.000 3/48384 140.0 1.050 1.228 1.481 0.000 0.000 -0.000 3/48384 150.0 0.985 1.155 1.390 0.000 0.000 -0.000 3/48384 160.0 0.928 1.094 1.310 0.000 0.000 -0.000 3/48384 170.0 0.879 1.040 1.240 0.000 0.000 -0.000 3/48384 180.0 0.835 0.994 1.178 0.000 0.000 -0.000 3/48384 190.0 0.795 0.953 1.121 0.000 0.000 -0.000 3/48384 200.0 0.760 0.916 1.071 0.000 0.000 -0.000 3/48384 210.0 0.728 0.884 1.025 0.000 0.000 -0.000 3/48384 220.0 0.699 0.854 0.983 0.000 0.000 -0.000 3/48384 230.0 0.672 0.828 0.944 0.000 0.000 -0.000 3/48384 240.0 0.648 0.804 0.909 0.000 0.000 -0.000 3/48384 250.0 0.626 0.782 0.877 0.000 0.000 -0.000 3/48384 260.0 0.605 0.763 0.847 0.000 0.000 -0.000 3/48384 270.0 0.586 0.745 0.819 0.000 0.000 -0.000 3/48384 280.0 0.569 0.729 0.793 0.000 0.000 -0.000 3/48384 290.0 0.552 0.715 0.769 0.000 0.000 -0.000 3/48384 300.0 0.537 0.702 0.747 0.000 0.000 -0.000 3/48384 310.0 0.523 0.690 0.726 0.000 0.000 -0.000 3/48384 320.0 0.510 0.679 0.707 0.000 0.000 -0.000 3/48384 330.0 0.498 0.670 0.689 0.000 0.000 -0.000 3/48384 340.0 0.487 0.661 0.672 0.000 0.000 -0.000 3/48384 350.0 0.476 0.653 0.656 0.000 0.000 -0.000 3/48384 360.0 0.466 0.646 0.641 0.000 0.000 -0.000 3/48384 370.0 0.456 0.640 0.627 0.000 0.000 -0.000 3/48384 380.0 0.448 0.634 0.614 0.000 0.000 -0.000 3/48384 390.0 0.439 0.629 0.601 0.000 0.000 -0.000 3/48384 400.0 0.431 0.624 0.589 0.000 0.000 -0.000 3/48384 410.0 0.424 0.620 0.578 0.000 0.000 -0.000 3/48384 420.0 0.417 0.616 0.567 0.000 0.000 -0.000 3/48384 430.0 0.410 0.612 0.557 0.000 0.000 -0.000 3/48384 440.0 0.403 0.609 0.547 0.000 0.000 -0.000 3/48384 450.0 0.397 0.605 0.538 0.000 0.000 -0.000 3/48384 460.0 0.391 0.602 0.529 0.000 0.000 -0.000 3/48384 470.0 0.385 0.599 0.521 0.000 0.000 -0.000 3/48384 480.0 0.380 0.596 0.513 0.000 0.000 -0.000 3/48384 490.0 0.375 0.594 0.505 0.000 0.000 -0.000 3/48384 500.0 0.369 0.591 0.498 0.000 0.000 -0.000 3/48384 510.0 0.365 0.588 0.491 0.000 0.000 -0.000 3/48384 520.0 0.360 0.585 0.484 0.000 0.000 -0.000 3/48384 530.0 0.355 0.583 0.477 0.000 0.000 -0.000 3/48384 540.0 0.351 0.580 0.471 0.000 0.000 -0.000 3/48384 550.0 0.346 0.577 0.465 0.000 0.000 -0.000 3/48384 560.0 0.342 0.574 0.459 0.000 0.000 -0.000 3/48384 570.0 0.338 0.571 0.453 0.000 0.000 -0.000 3/48384 580.0 0.334 0.569 0.447 0.000 0.000 -0.000 3/48384 590.0 0.330 0.566 0.442 0.000 0.000 -0.000 3/48384 600.0 0.326 0.563 0.436 0.000 0.000 -0.000 3/48384 610.0 0.322 0.560 0.431 0.000 0.000 -0.000 3/48384 620.0 0.318 0.557 0.426 0.000 0.000 -0.000 3/48384 630.0 0.315 0.554 0.421 0.000 0.000 -0.000 3/48384 640.0 0.311 0.551 0.416 0.000 0.000 -0.000 3/48384 650.0 0.308 0.548 0.412 0.000 0.000 -0.000 3/48384 660.0 0.304 0.545 0.407 0.000 0.000 -0.000 3/48384 670.0 0.301 0.542 0.403 0.000 0.000 -0.000 3/48384 680.0 0.298 0.538 0.398 0.000 0.000 -0.000 3/48384 690.0 0.295 0.535 0.394 0.000 0.000 -0.000 3/48384 700.0 0.292 0.532 0.390 0.000 0.000 -0.000 3/48384 710.0 0.288 0.529 0.386 0.000 0.000 -0.000 3/48384 720.0 0.285 0.526 0.382 0.000 0.000 -0.000 3/48384 730.0 0.282 0.522 0.378 0.000 0.000 -0.000 3/48384 740.0 0.280 0.519 0.374 0.000 0.000 -0.000 3/48384 750.0 0.277 0.516 0.370 0.000 0.000 -0.000 3/48384 760.0 0.274 0.512 0.367 0.000 0.000 -0.000 3/48384 770.0 0.271 0.509 0.363 0.000 0.000 -0.000 3/48384 780.0 0.268 0.506 0.359 0.000 0.000 -0.000 3/48384 790.0 0.266 0.503 0.356 0.000 0.000 -0.000 3/48384 800.0 0.263 0.499 0.352 0.000 0.000 -0.000 3/48384 810.0 0.261 0.496 0.349 0.000 0.000 -0.000 3/48384 820.0 0.258 0.493 0.346 0.000 0.000 -0.000 3/48384 830.0 0.256 0.490 0.343 0.000 0.000 -0.000 3/48384 840.0 0.253 0.486 0.339 0.000 0.000 -0.000 3/48384 850.0 0.251 0.483 0.336 0.000 0.000 -0.000 3/48384 860.0 0.248 0.480 0.333 0.000 0.000 -0.000 3/48384 870.0 0.246 0.477 0.330 0.000 0.000 -0.000 3/48384 880.0 0.244 0.473 0.327 0.000 0.000 -0.000 3/48384 890.0 0.242 0.470 0.324 0.000 0.000 -0.000 3/48384 900.0 0.239 0.467 0.322 0.000 0.000 -0.000 3/48384 910.0 0.237 0.464 0.319 0.000 0.000 -0.000 3/48384 920.0 0.235 0.461 0.316 0.000 0.000 -0.000 3/48384 930.0 0.233 0.458 0.313 0.000 0.000 -0.000 3/48384 940.0 0.231 0.455 0.311 0.000 0.000 -0.000 3/48384 950.0 0.229 0.452 0.308 0.000 0.000 -0.000 3/48384 960.0 0.227 0.449 0.305 0.000 0.000 -0.000 3/48384 970.0 0.225 0.446 0.303 0.000 0.000 -0.000 3/48384 980.0 0.223 0.443 0.300 0.000 0.000 -0.000 3/48384 990.0 0.221 0.440 0.298 0.000 0.000 -0.000 3/48384 1000.0 0.219 0.437 0.295 0.000 0.000 -0.000 3/48384 Thermal conductivity related properties were written into "kappa-m6146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:05:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|