----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:09:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.186813099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.919341790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.950044430000000 Atomic positions (fractional): *1 B 0.73569568577074 0.91863851208568 0.91618783296669 10.811 2 B 0.23569568577074 0.91863851208568 0.58381216703331 10.811 3 B 0.76430431422926 0.41863851208568 0.41618783296669 10.811 4 B 0.73569568577074 0.58136148791432 0.91618783296669 10.811 5 B 0.26430431422926 0.08136148791432 0.08381216703331 10.811 6 B 0.26430431422926 0.41863851208568 0.08381216703331 10.811 7 B 0.23569568577074 0.58136148791432 0.58381216703331 10.811 8 B 0.76430431422926 0.08136148791432 0.41618783296669 10.811 *9 O 0.69453749048234 0.25000000000000 0.41730640398504 15.999 10 O 0.80546250951766 0.75000000000000 0.91730640398504 15.999 11 O 0.19453749048234 0.25000000000000 0.08269359601496 15.999 12 O 0.30546250951767 0.75000000000000 0.58269359601496 15.999 *13 O 0.99260724348133 0.75000000000000 0.32841259776632 15.999 14 O 0.00739275651867 0.25000000000000 0.67158740223368 15.999 15 O 0.49260724348133 0.75000000000000 0.17158740223368 15.999 16 O 0.50739275651867 0.25000000000000 0.82841259776632 15.999 *17 O 0.09229605627727 0.92606823681722 0.68109836708479 15.999 18 O 0.90770394372273 0.42606823681722 0.31890163291521 15.999 19 O 0.59229605627727 0.57393176318278 0.81890163291521 15.999 20 O 0.40770394372273 0.07393176318278 0.18109836708479 15.999 *21 O 0.80148050672235 0.01253032483760 0.56670195088347 15.999 22 O 0.19851949327766 0.51253032483760 0.43329804911653 15.999 23 O 0.30148050672234 0.48746967516240 0.93329804911653 15.999 24 O 0.69851949327765 0.98746967516240 0.06670195088347 15.999 25 O 0.19851949327766 0.98746967516240 0.43329804911653 15.999 26 O 0.80148050672235 0.48746967516240 0.56670195088347 15.999 27 O 0.69851949327765 0.51253032483760 0.06670195088347 15.999 28 O 0.30148050672234 0.01253032483760 0.93329804911653 15.999 *29 O 0.86701593695146 0.03552186544439 0.86024599821510 15.999 30 O 0.13298406304854 0.53552186544439 0.13975400178490 15.999 31 O 0.36701593695146 0.46447813455561 0.63975400178490 15.999 32 O 0.63298406304854 0.96447813455561 0.36024599821510 15.999 33 O 0.13298406304854 0.96447813455561 0.13975400178490 15.999 34 O 0.86701593695146 0.46447813455561 0.86024599821510 15.999 35 O 0.63298406304854 0.53552186544439 0.36024599821510 15.999 36 O 0.36701593695146 0.03552186544439 0.63975400178490 15.999 37 O 0.59229605627727 0.92606823681722 0.81890163291521 15.999 38 O 0.40770394372273 0.42606823681722 0.18109836708479 15.999 39 O 0.09229605627727 0.57393176318278 0.68109836708479 15.999 40 O 0.90770394372273 0.07393176318278 0.31890163291521 15.999 *41 Si 0.43998984780601 0.05742032555612 0.80891955127945 28.085 42 Si 0.56001015219399 0.55742032555612 0.19108044872055 28.085 43 Si 0.93998984780601 0.44257967444388 0.69108044872055 28.085 44 Si 0.06001015219399 0.94257967444388 0.30891955127945 28.085 45 Si 0.56001015219399 0.94257967444388 0.19108044872055 28.085 46 Si 0.43998984780601 0.44257967444388 0.80891955127945 28.085 47 Si 0.06001015219399 0.55742032555612 0.30891955127945 28.085 48 Si 0.93998984780601 0.05742032555612 0.69108044872055 28.085 *49 Sr 0.88880367310631 0.25000000000000 0.07729495055717 87.620 50 Sr 0.11119632689370 0.75000000000000 0.92270504944283 87.620 51 Sr 0.38880367310630 0.25000000000000 0.42270504944283 87.620 52 Sr 0.61119632689369 0.75000000000000 0.57729495055717 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.186813099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.919341790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.950044430000000 Atomic positions (fractional): *1 B 0.73569568577074 0.91863851208568 0.91618783296669 10.811 > 1 2 B 0.23569568577074 0.91863851208568 0.58381216703331 10.811 > 2 3 B 0.76430431422926 0.41863851208568 0.41618783296669 10.811 > 3 4 B 0.73569568577074 0.58136148791432 0.91618783296669 10.811 > 4 5 B 0.26430431422926 0.08136148791432 0.08381216703331 10.811 > 5 6 B 0.26430431422926 0.41863851208568 0.08381216703331 10.811 > 6 7 B 0.23569568577074 0.58136148791432 0.58381216703331 10.811 > 7 8 B 0.76430431422926 0.08136148791432 0.41618783296669 10.811 > 8 *9 O 0.69453749048234 0.25000000000000 0.41730640398504 15.999 > 9 10 O 0.80546250951766 0.75000000000000 0.91730640398504 15.999 > 10 11 O 0.19453749048234 0.25000000000000 0.08269359601496 15.999 > 11 12 O 0.30546250951767 0.75000000000000 0.58269359601496 15.999 > 12 *13 O 0.99260724348133 0.75000000000000 0.32841259776632 15.999 > 13 14 O 0.00739275651867 0.25000000000000 0.67158740223368 15.999 > 14 15 O 0.49260724348133 0.75000000000000 0.17158740223368 15.999 > 15 16 O 0.50739275651867 0.25000000000000 0.82841259776632 15.999 > 16 *17 O 0.09229605627727 0.92606823681722 0.68109836708479 15.999 > 17 18 O 0.90770394372273 0.42606823681722 0.31890163291521 15.999 > 18 19 O 0.59229605627727 0.57393176318278 0.81890163291521 15.999 > 19 20 O 0.40770394372273 0.07393176318278 0.18109836708479 15.999 > 20 *21 O 0.80148050672235 0.01253032483760 0.56670195088347 15.999 > 21 22 O 0.19851949327766 0.51253032483760 0.43329804911653 15.999 > 22 23 O 0.30148050672234 0.48746967516240 0.93329804911653 15.999 > 23 24 O 0.69851949327765 0.98746967516240 0.06670195088347 15.999 > 24 25 O 0.19851949327766 0.98746967516240 0.43329804911653 15.999 > 25 26 O 0.80148050672235 0.48746967516240 0.56670195088347 15.999 > 26 27 O 0.69851949327765 0.51253032483760 0.06670195088347 15.999 > 27 28 O 0.30148050672234 0.01253032483760 0.93329804911653 15.999 > 28 *29 O 0.86701593695146 0.03552186544439 0.86024599821510 15.999 > 29 30 O 0.13298406304854 0.53552186544439 0.13975400178490 15.999 > 30 31 O 0.36701593695146 0.46447813455561 0.63975400178490 15.999 > 31 32 O 0.63298406304854 0.96447813455561 0.36024599821510 15.999 > 32 33 O 0.13298406304854 0.96447813455561 0.13975400178490 15.999 > 33 34 O 0.86701593695146 0.46447813455561 0.86024599821510 15.999 > 34 35 O 0.63298406304854 0.53552186544439 0.36024599821510 15.999 > 35 36 O 0.36701593695146 0.03552186544439 0.63975400178490 15.999 > 36 37 O 0.59229605627727 0.92606823681722 0.81890163291521 15.999 > 37 38 O 0.40770394372273 0.42606823681722 0.18109836708479 15.999 > 38 39 O 0.09229605627727 0.57393176318278 0.68109836708479 15.999 > 39 40 O 0.90770394372273 0.07393176318278 0.31890163291521 15.999 > 40 *41 Si 0.43998984780601 0.05742032555612 0.80891955127945 28.085 > 41 42 Si 0.56001015219399 0.55742032555612 0.19108044872055 28.085 > 42 43 Si 0.93998984780601 0.44257967444388 0.69108044872055 28.085 > 43 44 Si 0.06001015219399 0.94257967444388 0.30891955127945 28.085 > 44 45 Si 0.56001015219399 0.94257967444388 0.19108044872055 28.085 > 45 46 Si 0.43998984780601 0.44257967444388 0.80891955127945 28.085 > 46 47 Si 0.06001015219399 0.55742032555612 0.30891955127945 28.085 > 47 48 Si 0.93998984780601 0.05742032555612 0.69108044872055 28.085 > 48 *49 Sr 0.88880367310631 0.25000000000000 0.07729495055717 87.620 > 49 50 Sr 0.11119632689370 0.75000000000000 0.92270504944283 87.620 > 50 51 Sr 0.38880367310630 0.25000000000000 0.42270504944283 87.620 > 51 52 Sr 0.61119632689369 0.75000000000000 0.57729495055717 87.620 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.186813099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 15.838683580000003 0.000000000000000 c 0.000000000000000 0.000000000000000 8.950044430000000 Atomic positions (fractional): *1 B 0.73569568577074 0.45931925604284 0.91618783296669 10.811 > 1 2 B 0.73569568577074 0.95931925604284 0.91618783296669 10.811 > 1 3 B 0.23569568577074 0.45931925604284 0.58381216703331 10.811 > 2 4 B 0.23569568577074 0.95931925604284 0.58381216703331 10.811 > 2 5 B 0.76430431422926 0.20931925604284 0.41618783296669 10.811 > 3 6 B 0.76430431422926 0.70931925604284 0.41618783296669 10.811 > 3 7 B 0.73569568577074 0.29068074395716 0.91618783296669 10.811 > 4 8 B 0.73569568577074 0.79068074395716 0.91618783296669 10.811 > 4 9 B 0.26430431422926 0.04068074395716 0.08381216703331 10.811 > 5 10 B 0.26430431422926 0.54068074395716 0.08381216703331 10.811 > 5 11 B 0.26430431422926 0.20931925604284 0.08381216703331 10.811 > 6 12 B 0.26430431422926 0.70931925604284 0.08381216703331 10.811 > 6 13 B 0.23569568577074 0.29068074395716 0.58381216703331 10.811 > 7 14 B 0.23569568577074 0.79068074395716 0.58381216703331 10.811 > 7 15 B 0.76430431422926 0.04068074395716 0.41618783296669 10.811 > 8 16 B 0.76430431422926 0.54068074395716 0.41618783296669 10.811 > 8 *17 O 0.69453749048234 0.12500000000000 0.41730640398504 15.999 > 9 18 O 0.69453749048234 0.62500000000000 0.41730640398504 15.999 > 9 19 O 0.80546250951766 0.37500000000000 0.91730640398504 15.999 > 10 20 O 0.80546250951766 0.87500000000000 0.91730640398504 15.999 > 10 21 O 0.19453749048234 0.12500000000000 0.08269359601496 15.999 > 11 22 O 0.19453749048234 0.62500000000000 0.08269359601496 15.999 > 11 23 O 0.30546250951767 0.37500000000000 0.58269359601496 15.999 > 12 24 O 0.30546250951767 0.87500000000000 0.58269359601496 15.999 > 12 *25 O 0.99260724348133 0.37500000000000 0.32841259776632 15.999 > 13 26 O 0.99260724348133 0.87500000000000 0.32841259776632 15.999 > 13 27 O 0.00739275651867 0.12500000000000 0.67158740223368 15.999 > 14 28 O 0.00739275651867 0.62500000000000 0.67158740223368 15.999 > 14 29 O 0.49260724348133 0.37500000000000 0.17158740223368 15.999 > 15 30 O 0.49260724348133 0.87500000000000 0.17158740223368 15.999 > 15 31 O 0.50739275651867 0.12500000000000 0.82841259776632 15.999 > 16 32 O 0.50739275651867 0.62500000000000 0.82841259776632 15.999 > 16 *33 O 0.09229605627727 0.46303411840861 0.68109836708479 15.999 > 17 34 O 0.09229605627727 0.96303411840861 0.68109836708479 15.999 > 17 35 O 0.90770394372273 0.21303411840861 0.31890163291521 15.999 > 18 36 O 0.90770394372273 0.71303411840861 0.31890163291521 15.999 > 18 37 O 0.59229605627727 0.28696588159139 0.81890163291521 15.999 > 19 38 O 0.59229605627727 0.78696588159139 0.81890163291521 15.999 > 19 39 O 0.40770394372273 0.03696588159139 0.18109836708479 15.999 > 20 40 O 0.40770394372273 0.53696588159139 0.18109836708479 15.999 > 20 *41 O 0.80148050672235 0.00626516241880 0.56670195088347 15.999 > 21 42 O 0.80148050672235 0.50626516241880 0.56670195088347 15.999 > 21 43 O 0.19851949327766 0.25626516241880 0.43329804911653 15.999 > 22 44 O 0.19851949327766 0.75626516241880 0.43329804911653 15.999 > 22 45 O 0.30148050672234 0.24373483758120 0.93329804911653 15.999 > 23 46 O 0.30148050672234 0.74373483758120 0.93329804911653 15.999 > 23 47 O 0.69851949327765 0.49373483758120 0.06670195088347 15.999 > 24 48 O 0.69851949327765 0.99373483758120 0.06670195088347 15.999 > 24 49 O 0.19851949327766 0.49373483758120 0.43329804911653 15.999 > 25 50 O 0.19851949327766 0.99373483758120 0.43329804911653 15.999 > 25 51 O 0.80148050672235 0.24373483758120 0.56670195088347 15.999 > 26 52 O 0.80148050672235 0.74373483758120 0.56670195088347 15.999 > 26 53 O 0.69851949327765 0.25626516241880 0.06670195088347 15.999 > 27 54 O 0.69851949327765 0.75626516241880 0.06670195088347 15.999 > 27 55 O 0.30148050672234 0.00626516241880 0.93329804911653 15.999 > 28 56 O 0.30148050672234 0.50626516241880 0.93329804911653 15.999 > 28 *57 O 0.86701593695146 0.01776093272220 0.86024599821510 15.999 > 29 58 O 0.86701593695146 0.51776093272220 0.86024599821510 15.999 > 29 59 O 0.13298406304854 0.26776093272220 0.13975400178490 15.999 > 30 60 O 0.13298406304854 0.76776093272220 0.13975400178490 15.999 > 30 61 O 0.36701593695146 0.23223906727780 0.63975400178490 15.999 > 31 62 O 0.36701593695146 0.73223906727780 0.63975400178490 15.999 > 31 63 O 0.63298406304854 0.48223906727780 0.36024599821510 15.999 > 32 64 O 0.63298406304854 0.98223906727780 0.36024599821510 15.999 > 32 65 O 0.13298406304854 0.48223906727780 0.13975400178490 15.999 > 33 66 O 0.13298406304854 0.98223906727780 0.13975400178490 15.999 > 33 67 O 0.86701593695146 0.23223906727780 0.86024599821510 15.999 > 34 68 O 0.86701593695146 0.73223906727780 0.86024599821510 15.999 > 34 69 O 0.63298406304854 0.26776093272220 0.36024599821510 15.999 > 35 70 O 0.63298406304854 0.76776093272220 0.36024599821510 15.999 > 35 71 O 0.36701593695146 0.01776093272220 0.63975400178490 15.999 > 36 72 O 0.36701593695146 0.51776093272220 0.63975400178490 15.999 > 36 73 O 0.59229605627727 0.46303411840861 0.81890163291521 15.999 > 37 74 O 0.59229605627727 0.96303411840861 0.81890163291521 15.999 > 37 75 O 0.40770394372273 0.21303411840861 0.18109836708479 15.999 > 38 76 O 0.40770394372273 0.71303411840861 0.18109836708479 15.999 > 38 77 O 0.09229605627727 0.28696588159139 0.68109836708479 15.999 > 39 78 O 0.09229605627727 0.78696588159139 0.68109836708479 15.999 > 39 79 O 0.90770394372273 0.03696588159139 0.31890163291521 15.999 > 40 80 O 0.90770394372273 0.53696588159139 0.31890163291521 15.999 > 40 *81 Si 0.43998984780601 0.02871016277806 0.80891955127945 28.085 > 41 82 Si 0.43998984780601 0.52871016277806 0.80891955127945 28.085 > 41 83 Si 0.56001015219399 0.27871016277806 0.19108044872055 28.085 > 42 84 Si 0.56001015219399 0.77871016277806 0.19108044872055 28.085 > 42 85 Si 0.93998984780601 0.22128983722194 0.69108044872055 28.085 > 43 86 Si 0.93998984780601 0.72128983722194 0.69108044872055 28.085 > 43 87 Si 0.06001015219399 0.47128983722194 0.30891955127945 28.085 > 44 88 Si 0.06001015219399 0.97128983722194 0.30891955127945 28.085 > 44 89 Si 0.56001015219399 0.47128983722194 0.19108044872055 28.085 > 45 90 Si 0.56001015219399 0.97128983722194 0.19108044872055 28.085 > 45 91 Si 0.43998984780601 0.22128983722194 0.80891955127945 28.085 > 46 92 Si 0.43998984780601 0.72128983722194 0.80891955127945 28.085 > 46 93 Si 0.06001015219399 0.27871016277806 0.30891955127945 28.085 > 47 94 Si 0.06001015219399 0.77871016277806 0.30891955127945 28.085 > 47 95 Si 0.93998984780601 0.02871016277806 0.69108044872055 28.085 > 48 96 Si 0.93998984780601 0.52871016277806 0.69108044872055 28.085 > 48 *97 Sr 0.88880367310631 0.12500000000000 0.07729495055717 87.620 > 49 98 Sr 0.88880367310631 0.62500000000000 0.07729495055717 87.620 > 49 99 Sr 0.11119632689370 0.37500000000000 0.92270504944283 87.620 > 50 100 Sr 0.11119632689370 0.87500000000000 0.92270504944283 87.620 > 50 101 Sr 0.38880367310630 0.12500000000000 0.42270504944283 87.620 > 51 102 Sr 0.38880367310630 0.62500000000000 0.42270504944283 87.620 > 51 103 Sr 0.61119632689369 0.37500000000000 0.57729495055717 87.620 > 52 104 Sr 0.61119632689369 0.87500000000000 0.57729495055717 87.620 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8036025 0.0000000 0.0000000 0.0000000 2.8216121 0.0000000 0.0000000 0.0000000 2.8206921 -------------------------- Born effective charges -------------------------- 1 B 2.5837003 -0.0168789 -0.0099525 -0.1897659 2.5262934 -0.0622999 -0.1746667 0.0670216 2.5249083 2 B 2.5837003 -0.0168789 0.0099525 -0.1897659 2.5262934 0.0622999 0.1746667 -0.0670216 2.5249083 3 B 2.5837003 0.0168789 0.0099525 0.1897659 2.5262934 -0.0622999 0.1746667 0.0670216 2.5249083 4 B 2.5837003 0.0168789 -0.0099525 0.1897659 2.5262934 0.0622999 -0.1746667 -0.0670216 2.5249083 5 B 2.5837003 -0.0168789 -0.0099525 -0.1897659 2.5262934 -0.0622999 -0.1746667 0.0670216 2.5249083 6 B 2.5837003 0.0168789 -0.0099525 0.1897659 2.5262934 0.0622999 -0.1746667 -0.0670216 2.5249083 7 B 2.5837003 0.0168789 0.0099525 0.1897659 2.5262934 -0.0622999 0.1746667 0.0670216 2.5249083 8 B 2.5837003 -0.0168789 0.0099525 -0.1897659 2.5262934 0.0622999 0.1746667 -0.0670216 2.5249083 9 O -1.6207050 0.0000000 0.0079127 0.0000000 -2.6433035 0.0000000 -0.0501952 0.0000000 -1.0724784 10 O -1.6207050 0.0000000 -0.0079127 0.0000000 -2.6433035 0.0000000 0.0501952 0.0000000 -1.0724784 11 O -1.6207050 0.0000000 -0.0079127 0.0000000 -2.6433035 0.0000000 0.0501952 0.0000000 -1.0724784 12 O -1.6207050 0.0000000 0.0079127 0.0000000 -2.6433035 0.0000000 -0.0501952 0.0000000 -1.0724784 13 O -1.1808861 0.0000000 0.0291723 0.0000000 -2.8380693 0.0000000 -0.0052493 0.0000000 -1.1155861 14 O -1.1808861 0.0000000 0.0291723 0.0000000 -2.8380693 0.0000000 -0.0052493 0.0000000 -1.1155861 15 O -1.1808861 0.0000000 -0.0291723 0.0000000 -2.8380693 0.0000000 0.0052493 0.0000000 -1.1155861 16 O -1.1808861 0.0000000 -0.0291723 0.0000000 -2.8380693 0.0000000 0.0052493 0.0000000 -1.1155861 17 O -2.2244619 0.5237281 0.5034251 0.4977105 -1.4132629 0.0534796 0.4101170 0.0605820 -1.6199893 18 O -2.2244619 -0.5237281 0.5034251 -0.4977105 -1.4132629 -0.0534796 0.4101170 -0.0605820 -1.6199893 19 O -2.2244619 -0.5237281 -0.5034251 -0.4977105 -1.4132629 0.0534796 -0.4101170 0.0605820 -1.6199893 20 O -2.2244619 0.5237281 -0.5034251 0.4977105 -1.4132629 -0.0534796 -0.4101170 -0.0605820 -1.6199893 21 O -1.5912977 -0.1667489 -0.4880145 -0.1532231 -1.3475045 0.1968522 -0.5824701 0.1957839 -2.3544684 22 O -1.5912977 0.1667489 -0.4880145 0.1532231 -1.3475045 -0.1968522 -0.5824701 -0.1957839 -2.3544684 23 O -1.5912977 0.1667489 0.4880145 0.1532231 -1.3475045 0.1968522 0.5824701 0.1957839 -2.3544684 24 O -1.5912977 -0.1667489 0.4880145 -0.1532231 -1.3475045 -0.1968522 0.5824701 -0.1957839 -2.3544684 25 O -1.5912977 -0.1667489 -0.4880145 -0.1532231 -1.3475045 0.1968522 -0.5824701 0.1957839 -2.3544684 26 O -1.5912977 0.1667489 -0.4880145 0.1532231 -1.3475045 -0.1968522 -0.5824701 -0.1957839 -2.3544684 27 O -1.5912977 0.1667489 0.4880145 0.1532231 -1.3475045 0.1968522 0.5824701 0.1957839 -2.3544684 28 O -1.5912977 -0.1667489 0.4880145 -0.1532231 -1.3475045 -0.1968522 0.5824701 -0.1957839 -2.3544684 29 O -1.7102487 -0.4022535 0.4989499 -0.3798378 -1.5729639 0.2377405 0.4807726 0.1695997 -2.0190207 30 O -1.7102487 0.4022535 0.4989499 0.3798378 -1.5729639 -0.2377405 0.4807726 -0.1695997 -2.0190207 31 O -1.7102487 0.4022535 -0.4989499 0.3798378 -1.5729639 0.2377405 -0.4807726 0.1695997 -2.0190207 32 O -1.7102487 -0.4022535 -0.4989499 -0.3798378 -1.5729639 -0.2377405 -0.4807726 -0.1695997 -2.0190207 33 O -1.7102487 -0.4022535 0.4989499 -0.3798378 -1.5729639 0.2377405 0.4807726 0.1695997 -2.0190207 34 O -1.7102487 0.4022535 0.4989499 0.3798378 -1.5729639 -0.2377405 0.4807726 -0.1695997 -2.0190207 35 O -1.7102487 0.4022535 -0.4989499 0.3798378 -1.5729639 0.2377405 -0.4807726 0.1695997 -2.0190207 36 O -1.7102487 -0.4022535 -0.4989499 -0.3798378 -1.5729639 -0.2377405 -0.4807726 -0.1695997 -2.0190207 37 O -2.2244619 0.5237281 -0.5034251 0.4977105 -1.4132629 -0.0534796 -0.4101170 -0.0605820 -1.6199893 38 O -2.2244619 -0.5237281 -0.5034251 -0.4977105 -1.4132629 0.0534796 -0.4101170 0.0605820 -1.6199893 39 O -2.2244619 -0.5237281 0.5034251 -0.4977105 -1.4132629 -0.0534796 0.4101170 -0.0605820 -1.6199893 40 O -2.2244619 0.5237281 0.5034251 0.4977105 -1.4132629 0.0534796 0.4101170 0.0605820 -1.6199893 41 Si 3.1293050 -0.2772256 0.1089270 0.0447217 3.2178479 0.1872575 -0.0785022 -0.0270627 3.2763663 42 Si 3.1293050 0.2772256 0.1089270 -0.0447217 3.2178479 -0.1872575 -0.0785022 0.0270627 3.2763663 43 Si 3.1293050 0.2772256 -0.1089270 -0.0447217 3.2178479 0.1872575 0.0785022 -0.0270627 3.2763663 44 Si 3.1293050 -0.2772256 -0.1089270 0.0447217 3.2178479 -0.1872575 0.0785022 0.0270627 3.2763663 45 Si 3.1293050 -0.2772256 0.1089270 0.0447217 3.2178479 0.1872575 -0.0785022 -0.0270627 3.2763663 46 Si 3.1293050 0.2772256 0.1089270 -0.0447217 3.2178479 -0.1872575 -0.0785022 0.0270627 3.2763663 47 Si 3.1293050 0.2772256 -0.1089270 -0.0447217 3.2178479 0.1872575 0.0785022 -0.0270627 3.2763663 48 Si 3.1293050 -0.2772256 -0.1089270 0.0447217 3.2178479 -0.1872575 0.0785022 0.0270627 3.2763663 49 Sr 2.4275970 0.0000000 0.1894489 0.0000000 2.6605529 0.0000000 0.1256655 0.0000000 2.5724719 50 Sr 2.4275970 0.0000000 0.1894489 0.0000000 2.6605529 0.0000000 0.1256655 0.0000000 2.5724719 51 Sr 2.4275970 0.0000000 -0.1894489 0.0000000 2.6605529 0.0000000 -0.1256655 0.0000000 2.5724719 52 Sr 2.4275970 0.0000000 -0.1894489 0.0000000 2.6605529 0.0000000 -0.1256655 0.0000000 2.5724719 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 694 / 694 (1) 180 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 150 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 150 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 386 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3108), data: False |-- (386, 378), data: True |-- (386, 378), data: True |-- (386, 378), data: True |-- (658, 648), data: False |-- (658, 8), data: (658, 18) @ (18, 8) |-- (158, 150), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (658, 648), data: False |-- (658, 8), data: (658, 18) @ (18, 8) |-- (158, 150), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (694, 678), data: False |-- (694, 14), data: (694, 30) @ (30, 14) |-- (194, 180), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 800 - Time: 1.291 Solver_block: 200 / 800 - Time: 0.873 Solver_block: 300 / 800 - Time: 0.858 Solver_block: 400 / 800 - Time: 0.831 Solver_block: 500 / 800 - Time: 1.048 Solver_block: 600 / 800 - Time: 0.688 Solver_block: 700 / 800 - Time: 1.033 Solver_block: 800 / 800 - Time: 0.688 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.705 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 694 Use submatrix version of eigh solver. (1) Block: 500 / 694 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 694 / 694 (1) 180 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 150 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 658 Use submatrix version of eigh solver. (1) Block: 500 / 658 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 658 / 658 (1) 150 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 386 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3108), data: False |-- (386, 378), data: True |-- (386, 378), data: True |-- (386, 378), data: True |-- (658, 648), data: False |-- (658, 8), data: (658, 18) @ (18, 8) |-- (158, 150), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (658, 648), data: False |-- (658, 8), data: (658, 18) @ (18, 8) |-- (158, 150), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (694, 678), data: False |-- (694, 14), data: (694, 30) @ (30, 14) |-- (194, 180), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 237), data: True |-- (250, 234), 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 2026-01-07 21:09:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:09:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.186813099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.919341790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.950044430000000 Atomic positions (fractional): 1 B 0.73569568577074 0.91863851208568 0.91618783296669 10.811 2 B 0.23569568577074 0.91863851208568 0.58381216703331 10.811 3 B 0.76430431422926 0.41863851208568 0.41618783296669 10.811 4 B 0.73569568577074 0.58136148791432 0.91618783296669 10.811 5 B 0.26430431422926 0.08136148791432 0.08381216703331 10.811 6 B 0.26430431422926 0.41863851208568 0.08381216703331 10.811 7 B 0.23569568577074 0.58136148791432 0.58381216703331 10.811 8 B 0.76430431422926 0.08136148791432 0.41618783296669 10.811 9 O 0.69453749048234 0.25000000000000 0.41730640398504 15.999 10 O 0.80546250951766 0.75000000000000 0.91730640398504 15.999 11 O 0.19453749048234 0.25000000000000 0.08269359601496 15.999 12 O 0.30546250951767 0.75000000000000 0.58269359601496 15.999 13 O 0.99260724348133 0.75000000000000 0.32841259776632 15.999 14 O 0.00739275651867 0.25000000000000 0.67158740223368 15.999 15 O 0.49260724348133 0.75000000000000 0.17158740223368 15.999 16 O 0.50739275651867 0.25000000000000 0.82841259776632 15.999 17 O 0.09229605627727 0.92606823681722 0.68109836708479 15.999 18 O 0.90770394372273 0.42606823681722 0.31890163291521 15.999 19 O 0.59229605627727 0.57393176318278 0.81890163291521 15.999 20 O 0.40770394372273 0.07393176318278 0.18109836708479 15.999 21 O 0.80148050672235 0.01253032483760 0.56670195088347 15.999 22 O 0.19851949327766 0.51253032483760 0.43329804911653 15.999 23 O 0.30148050672234 0.48746967516240 0.93329804911653 15.999 24 O 0.69851949327765 0.98746967516240 0.06670195088347 15.999 25 O 0.19851949327766 0.98746967516240 0.43329804911653 15.999 26 O 0.80148050672235 0.48746967516240 0.56670195088347 15.999 27 O 0.69851949327765 0.51253032483760 0.06670195088347 15.999 28 O 0.30148050672234 0.01253032483760 0.93329804911653 15.999 29 O 0.86701593695146 0.03552186544439 0.86024599821510 15.999 30 O 0.13298406304854 0.53552186544439 0.13975400178490 15.999 31 O 0.36701593695146 0.46447813455561 0.63975400178490 15.999 32 O 0.63298406304854 0.96447813455561 0.36024599821510 15.999 33 O 0.13298406304854 0.96447813455561 0.13975400178490 15.999 34 O 0.86701593695146 0.46447813455561 0.86024599821510 15.999 35 O 0.63298406304854 0.53552186544439 0.36024599821510 15.999 36 O 0.36701593695146 0.03552186544439 0.63975400178490 15.999 37 O 0.59229605627727 0.92606823681722 0.81890163291521 15.999 38 O 0.40770394372273 0.42606823681722 0.18109836708479 15.999 39 O 0.09229605627727 0.57393176318278 0.68109836708479 15.999 40 O 0.90770394372273 0.07393176318278 0.31890163291521 15.999 41 Si 0.43998984780601 0.05742032555612 0.80891955127945 28.085 42 Si 0.56001015219399 0.55742032555612 0.19108044872055 28.085 43 Si 0.93998984780601 0.44257967444388 0.69108044872055 28.085 44 Si 0.06001015219399 0.94257967444388 0.30891955127945 28.085 45 Si 0.56001015219399 0.94257967444388 0.19108044872055 28.085 46 Si 0.43998984780601 0.44257967444388 0.80891955127945 28.085 47 Si 0.06001015219399 0.55742032555612 0.30891955127945 28.085 48 Si 0.93998984780601 0.05742032555612 0.69108044872055 28.085 49 Sr 0.88880367310631 0.25000000000000 0.07729495055717 87.620 50 Sr 0.11119632689370 0.75000000000000 0.92270504944283 87.620 51 Sr 0.38880367310630 0.25000000000000 0.42270504944283 87.620 52 Sr 0.61119632689369 0.75000000000000 0.57729495055717 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.186813099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 15.838683580000003 0.000000000000000 c 0.000000000000000 0.000000000000000 8.950044430000000 Atomic positions (fractional): 1 B 0.73569568577074 0.45931925604284 0.91618783296669 10.811 > 1 2 B 0.73569568577074 0.95931925604284 0.91618783296669 10.811 > 1 3 B 0.23569568577074 0.45931925604284 0.58381216703331 10.811 > 3 4 B 0.23569568577074 0.95931925604284 0.58381216703331 10.811 > 3 5 B 0.76430431422926 0.20931925604284 0.41618783296669 10.811 > 5 6 B 0.76430431422926 0.70931925604284 0.41618783296669 10.811 > 5 7 B 0.73569568577074 0.29068074395716 0.91618783296669 10.811 > 7 8 B 0.73569568577074 0.79068074395716 0.91618783296669 10.811 > 7 9 B 0.26430431422926 0.04068074395716 0.08381216703331 10.811 > 9 10 B 0.26430431422926 0.54068074395716 0.08381216703331 10.811 > 9 11 B 0.26430431422926 0.20931925604284 0.08381216703331 10.811 > 11 12 B 0.26430431422926 0.70931925604284 0.08381216703331 10.811 > 11 13 B 0.23569568577074 0.29068074395716 0.58381216703331 10.811 > 13 14 B 0.23569568577074 0.79068074395716 0.58381216703331 10.811 > 13 15 B 0.76430431422926 0.04068074395716 0.41618783296669 10.811 > 15 16 B 0.76430431422926 0.54068074395716 0.41618783296669 10.811 > 15 17 O 0.69453749048234 0.12500000000000 0.41730640398504 15.999 > 17 18 O 0.69453749048234 0.62500000000000 0.41730640398504 15.999 > 17 19 O 0.80546250951766 0.37500000000000 0.91730640398504 15.999 > 19 20 O 0.80546250951766 0.87500000000000 0.91730640398504 15.999 > 19 21 O 0.19453749048234 0.12500000000000 0.08269359601496 15.999 > 21 22 O 0.19453749048234 0.62500000000000 0.08269359601496 15.999 > 21 23 O 0.30546250951767 0.37500000000000 0.58269359601496 15.999 > 23 24 O 0.30546250951767 0.87500000000000 0.58269359601496 15.999 > 23 25 O 0.99260724348133 0.37500000000000 0.32841259776632 15.999 > 25 26 O 0.99260724348133 0.87500000000000 0.32841259776632 15.999 > 25 27 O 0.00739275651867 0.12500000000000 0.67158740223368 15.999 > 27 28 O 0.00739275651867 0.62500000000000 0.67158740223368 15.999 > 27 29 O 0.49260724348133 0.37500000000000 0.17158740223368 15.999 > 29 30 O 0.49260724348133 0.87500000000000 0.17158740223368 15.999 > 29 31 O 0.50739275651867 0.12500000000000 0.82841259776632 15.999 > 31 32 O 0.50739275651867 0.62500000000000 0.82841259776632 15.999 > 31 33 O 0.09229605627727 0.46303411840861 0.68109836708479 15.999 > 33 34 O 0.09229605627727 0.96303411840861 0.68109836708479 15.999 > 33 35 O 0.90770394372273 0.21303411840861 0.31890163291521 15.999 > 35 36 O 0.90770394372273 0.71303411840861 0.31890163291521 15.999 > 35 37 O 0.59229605627727 0.28696588159139 0.81890163291521 15.999 > 37 38 O 0.59229605627727 0.78696588159139 0.81890163291521 15.999 > 37 39 O 0.40770394372273 0.03696588159139 0.18109836708479 15.999 > 39 40 O 0.40770394372273 0.53696588159139 0.18109836708479 15.999 > 39 41 O 0.80148050672235 0.00626516241880 0.56670195088347 15.999 > 41 42 O 0.80148050672235 0.50626516241880 0.56670195088347 15.999 > 41 43 O 0.19851949327766 0.25626516241880 0.43329804911653 15.999 > 43 44 O 0.19851949327766 0.75626516241880 0.43329804911653 15.999 > 43 45 O 0.30148050672234 0.24373483758120 0.93329804911653 15.999 > 45 46 O 0.30148050672234 0.74373483758120 0.93329804911653 15.999 > 45 47 O 0.69851949327765 0.49373483758120 0.06670195088347 15.999 > 47 48 O 0.69851949327765 0.99373483758120 0.06670195088347 15.999 > 47 49 O 0.19851949327766 0.49373483758120 0.43329804911653 15.999 > 49 50 O 0.19851949327766 0.99373483758120 0.43329804911653 15.999 > 49 51 O 0.80148050672235 0.24373483758120 0.56670195088347 15.999 > 51 52 O 0.80148050672235 0.74373483758120 0.56670195088347 15.999 > 51 53 O 0.69851949327765 0.25626516241880 0.06670195088347 15.999 > 53 54 O 0.69851949327765 0.75626516241880 0.06670195088347 15.999 > 53 55 O 0.30148050672234 0.00626516241880 0.93329804911653 15.999 > 55 56 O 0.30148050672234 0.50626516241880 0.93329804911653 15.999 > 55 57 O 0.86701593695146 0.01776093272220 0.86024599821510 15.999 > 57 58 O 0.86701593695146 0.51776093272220 0.86024599821510 15.999 > 57 59 O 0.13298406304854 0.26776093272220 0.13975400178490 15.999 > 59 60 O 0.13298406304854 0.76776093272220 0.13975400178490 15.999 > 59 61 O 0.36701593695146 0.23223906727780 0.63975400178490 15.999 > 61 62 O 0.36701593695146 0.73223906727780 0.63975400178490 15.999 > 61 63 O 0.63298406304854 0.48223906727780 0.36024599821510 15.999 > 63 64 O 0.63298406304854 0.98223906727780 0.36024599821510 15.999 > 63 65 O 0.13298406304854 0.48223906727780 0.13975400178490 15.999 > 65 66 O 0.13298406304854 0.98223906727780 0.13975400178490 15.999 > 65 67 O 0.86701593695146 0.23223906727780 0.86024599821510 15.999 > 67 68 O 0.86701593695146 0.73223906727780 0.86024599821510 15.999 > 67 69 O 0.63298406304854 0.26776093272220 0.36024599821510 15.999 > 69 70 O 0.63298406304854 0.76776093272220 0.36024599821510 15.999 > 69 71 O 0.36701593695146 0.01776093272220 0.63975400178490 15.999 > 71 72 O 0.36701593695146 0.51776093272220 0.63975400178490 15.999 > 71 73 O 0.59229605627727 0.46303411840861 0.81890163291521 15.999 > 73 74 O 0.59229605627727 0.96303411840861 0.81890163291521 15.999 > 73 75 O 0.40770394372273 0.21303411840861 0.18109836708479 15.999 > 75 76 O 0.40770394372273 0.71303411840861 0.18109836708479 15.999 > 75 77 O 0.09229605627727 0.28696588159139 0.68109836708479 15.999 > 77 78 O 0.09229605627727 0.78696588159139 0.68109836708479 15.999 > 77 79 O 0.90770394372273 0.03696588159139 0.31890163291521 15.999 > 79 80 O 0.90770394372273 0.53696588159139 0.31890163291521 15.999 > 79 81 Si 0.43998984780601 0.02871016277806 0.80891955127945 28.085 > 81 82 Si 0.43998984780601 0.52871016277806 0.80891955127945 28.085 > 81 83 Si 0.56001015219399 0.27871016277806 0.19108044872055 28.085 > 83 84 Si 0.56001015219399 0.77871016277806 0.19108044872055 28.085 > 83 85 Si 0.93998984780601 0.22128983722194 0.69108044872055 28.085 > 85 86 Si 0.93998984780601 0.72128983722194 0.69108044872055 28.085 > 85 87 Si 0.06001015219399 0.47128983722194 0.30891955127945 28.085 > 87 88 Si 0.06001015219399 0.97128983722194 0.30891955127945 28.085 > 87 89 Si 0.56001015219399 0.47128983722194 0.19108044872055 28.085 > 89 90 Si 0.56001015219399 0.97128983722194 0.19108044872055 28.085 > 89 91 Si 0.43998984780601 0.22128983722194 0.80891955127945 28.085 > 91 92 Si 0.43998984780601 0.72128983722194 0.80891955127945 28.085 > 91 93 Si 0.06001015219399 0.27871016277806 0.30891955127945 28.085 > 93 94 Si 0.06001015219399 0.77871016277806 0.30891955127945 28.085 > 93 95 Si 0.93998984780601 0.02871016277806 0.69108044872055 28.085 > 95 96 Si 0.93998984780601 0.52871016277806 0.69108044872055 28.085 > 95 97 Sr 0.88880367310631 0.12500000000000 0.07729495055717 87.620 > 97 98 Sr 0.88880367310631 0.62500000000000 0.07729495055717 87.620 > 97 99 Sr 0.11119632689370 0.37500000000000 0.92270504944283 87.620 > 99 100 Sr 0.11119632689370 0.87500000000000 0.92270504944283 87.620 > 99 101 Sr 0.38880367310630 0.12500000000000 0.42270504944283 87.620 > 101 102 Sr 0.38880367310630 0.62500000000000 0.42270504944283 87.620 > 101 103 Sr 0.61119632689369 0.37500000000000 0.57729495055717 87.620 > 103 104 Sr 0.61119632689369 0.87500000000000 0.57729495055717 87.620 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8036025 0.0000000 0.0000000 0.0000000 2.8216121 0.0000000 0.0000000 0.0000000 2.8206921 -------------------------- Born effective charges -------------------------- 1 B 2.5837003 -0.0168789 -0.0099525 -0.1897659 2.5262934 -0.0622999 -0.1746667 0.0670216 2.5249083 2 B 2.5837003 -0.0168789 0.0099525 -0.1897659 2.5262934 0.0622999 0.1746667 -0.0670216 2.5249083 3 B 2.5837003 0.0168789 0.0099525 0.1897659 2.5262934 -0.0622999 0.1746667 0.0670216 2.5249083 4 B 2.5837003 0.0168789 -0.0099525 0.1897659 2.5262934 0.0622999 -0.1746667 -0.0670216 2.5249083 5 B 2.5837003 -0.0168789 -0.0099525 -0.1897659 2.5262934 -0.0622999 -0.1746667 0.0670216 2.5249083 6 B 2.5837003 0.0168789 -0.0099525 0.1897659 2.5262934 0.0622999 -0.1746667 -0.0670216 2.5249083 7 B 2.5837003 0.0168789 0.0099525 0.1897659 2.5262934 -0.0622999 0.1746667 0.0670216 2.5249083 8 B 2.5837003 -0.0168789 0.0099525 -0.1897659 2.5262934 0.0622999 0.1746667 -0.0670216 2.5249083 9 O -1.6207050 0.0000000 0.0079127 0.0000000 -2.6433035 0.0000000 -0.0501952 0.0000000 -1.0724784 10 O -1.6207050 0.0000000 -0.0079127 0.0000000 -2.6433035 0.0000000 0.0501952 0.0000000 -1.0724784 11 O -1.6207050 0.0000000 -0.0079127 0.0000000 -2.6433035 0.0000000 0.0501952 0.0000000 -1.0724784 12 O -1.6207050 0.0000000 0.0079127 0.0000000 -2.6433035 0.0000000 -0.0501952 0.0000000 -1.0724784 13 O -1.1808861 0.0000000 0.0291723 0.0000000 -2.8380693 0.0000000 -0.0052493 0.0000000 -1.1155861 14 O -1.1808861 0.0000000 0.0291723 0.0000000 -2.8380693 0.0000000 -0.0052493 0.0000000 -1.1155861 15 O -1.1808861 0.0000000 -0.0291723 0.0000000 -2.8380693 0.0000000 0.0052493 0.0000000 -1.1155861 16 O -1.1808861 0.0000000 -0.0291723 0.0000000 -2.8380693 0.0000000 0.0052493 0.0000000 -1.1155861 17 O -2.2244619 0.5237281 0.5034251 0.4977105 -1.4132629 0.0534796 0.4101170 0.0605820 -1.6199893 18 O -2.2244619 -0.5237281 0.5034251 -0.4977105 -1.4132629 -0.0534796 0.4101170 -0.0605820 -1.6199893 19 O -2.2244619 -0.5237281 -0.5034251 -0.4977105 -1.4132629 0.0534796 -0.4101170 0.0605820 -1.6199893 20 O -2.2244619 0.5237281 -0.5034251 0.4977105 -1.4132629 -0.0534796 -0.4101170 -0.0605820 -1.6199893 21 O -1.5912977 -0.1667489 -0.4880145 -0.1532231 -1.3475045 0.1968522 -0.5824701 0.1957839 -2.3544684 22 O -1.5912977 0.1667489 -0.4880145 0.1532231 -1.3475045 -0.1968522 -0.5824701 -0.1957839 -2.3544684 23 O -1.5912977 0.1667489 0.4880145 0.1532231 -1.3475045 0.1968522 0.5824701 0.1957839 -2.3544684 24 O -1.5912977 -0.1667489 0.4880145 -0.1532231 -1.3475045 -0.1968522 0.5824701 -0.1957839 -2.3544684 25 O -1.5912977 -0.1667489 -0.4880145 -0.1532231 -1.3475045 0.1968522 -0.5824701 0.1957839 -2.3544684 26 O -1.5912977 0.1667489 -0.4880145 0.1532231 -1.3475045 -0.1968522 -0.5824701 -0.1957839 -2.3544684 27 O -1.5912977 0.1667489 0.4880145 0.1532231 -1.3475045 0.1968522 0.5824701 0.1957839 -2.3544684 28 O -1.5912977 -0.1667489 0.4880145 -0.1532231 -1.3475045 -0.1968522 0.5824701 -0.1957839 -2.3544684 29 O -1.7102487 -0.4022535 0.4989499 -0.3798378 -1.5729639 0.2377405 0.4807726 0.1695997 -2.0190207 30 O -1.7102487 0.4022535 0.4989499 0.3798378 -1.5729639 -0.2377405 0.4807726 -0.1695997 -2.0190207 31 O -1.7102487 0.4022535 -0.4989499 0.3798378 -1.5729639 0.2377405 -0.4807726 0.1695997 -2.0190207 32 O -1.7102487 -0.4022535 -0.4989499 -0.3798378 -1.5729639 -0.2377405 -0.4807726 -0.1695997 -2.0190207 33 O -1.7102487 -0.4022535 0.4989499 -0.3798378 -1.5729639 0.2377405 0.4807726 0.1695997 -2.0190207 34 O -1.7102487 0.4022535 0.4989499 0.3798378 -1.5729639 -0.2377405 0.4807726 -0.1695997 -2.0190207 35 O -1.7102487 0.4022535 -0.4989499 0.3798378 -1.5729639 0.2377405 -0.4807726 0.1695997 -2.0190207 36 O -1.7102487 -0.4022535 -0.4989499 -0.3798378 -1.5729639 -0.2377405 -0.4807726 -0.1695997 -2.0190207 37 O -2.2244619 0.5237281 -0.5034251 0.4977105 -1.4132629 -0.0534796 -0.4101170 -0.0605820 -1.6199893 38 O -2.2244619 -0.5237281 -0.5034251 -0.4977105 -1.4132629 0.0534796 -0.4101170 0.0605820 -1.6199893 39 O -2.2244619 -0.5237281 0.5034251 -0.4977105 -1.4132629 -0.0534796 0.4101170 -0.0605820 -1.6199893 40 O -2.2244619 0.5237281 0.5034251 0.4977105 -1.4132629 0.0534796 0.4101170 0.0605820 -1.6199893 41 Si 3.1293050 -0.2772256 0.1089270 0.0447217 3.2178479 0.1872575 -0.0785022 -0.0270627 3.2763663 42 Si 3.1293050 0.2772256 0.1089270 -0.0447217 3.2178479 -0.1872575 -0.0785022 0.0270627 3.2763663 43 Si 3.1293050 0.2772256 -0.1089270 -0.0447217 3.2178479 0.1872575 0.0785022 -0.0270627 3.2763663 44 Si 3.1293050 -0.2772256 -0.1089270 0.0447217 3.2178479 -0.1872575 0.0785022 0.0270627 3.2763663 45 Si 3.1293050 -0.2772256 0.1089270 0.0447217 3.2178479 0.1872575 -0.0785022 -0.0270627 3.2763663 46 Si 3.1293050 0.2772256 0.1089270 -0.0447217 3.2178479 -0.1872575 -0.0785022 0.0270627 3.2763663 47 Si 3.1293050 0.2772256 -0.1089270 -0.0447217 3.2178479 0.1872575 0.0785022 -0.0270627 3.2763663 48 Si 3.1293050 -0.2772256 -0.1089270 0.0447217 3.2178479 -0.1872575 0.0785022 0.0270627 3.2763663 49 Sr 2.4275970 0.0000000 0.1894489 0.0000000 2.6605529 0.0000000 0.1256655 0.0000000 2.5724719 50 Sr 2.4275970 0.0000000 0.1894489 0.0000000 2.6605529 0.0000000 0.1256655 0.0000000 2.5724719 51 Sr 2.4275970 0.0000000 -0.1894489 0.0000000 2.6605529 0.0000000 -0.1256655 0.0000000 2.5724719 52 Sr 2.4275970 0.0000000 -0.1894489 0.0000000 2.6605529 0.0000000 -0.1256655 0.0000000 2.5724719 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:10:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:10:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.186813099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.919341790000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.950044430000000 Atomic positions (fractional): 1 B 0.73569568577074 0.91863851208568 0.91618783296669 10.811 2 B 0.23569568577074 0.91863851208568 0.58381216703331 10.811 3 B 0.76430431422926 0.41863851208568 0.41618783296669 10.811 4 B 0.73569568577074 0.58136148791432 0.91618783296669 10.811 5 B 0.26430431422926 0.08136148791432 0.08381216703331 10.811 6 B 0.26430431422926 0.41863851208568 0.08381216703331 10.811 7 B 0.23569568577074 0.58136148791432 0.58381216703331 10.811 8 B 0.76430431422926 0.08136148791432 0.41618783296669 10.811 9 O 0.69453749048234 0.25000000000000 0.41730640398504 15.999 10 O 0.80546250951766 0.75000000000000 0.91730640398504 15.999 11 O 0.19453749048234 0.25000000000000 0.08269359601496 15.999 12 O 0.30546250951767 0.75000000000000 0.58269359601496 15.999 13 O 0.99260724348133 0.75000000000000 0.32841259776632 15.999 14 O 0.00739275651867 0.25000000000000 0.67158740223368 15.999 15 O 0.49260724348133 0.75000000000000 0.17158740223368 15.999 16 O 0.50739275651867 0.25000000000000 0.82841259776632 15.999 17 O 0.09229605627727 0.92606823681722 0.68109836708479 15.999 18 O 0.90770394372273 0.42606823681722 0.31890163291521 15.999 19 O 0.59229605627727 0.57393176318278 0.81890163291521 15.999 20 O 0.40770394372273 0.07393176318278 0.18109836708479 15.999 21 O 0.80148050672235 0.01253032483760 0.56670195088347 15.999 22 O 0.19851949327766 0.51253032483760 0.43329804911653 15.999 23 O 0.30148050672234 0.48746967516240 0.93329804911653 15.999 24 O 0.69851949327765 0.98746967516240 0.06670195088347 15.999 25 O 0.19851949327766 0.98746967516240 0.43329804911653 15.999 26 O 0.80148050672235 0.48746967516240 0.56670195088347 15.999 27 O 0.69851949327765 0.51253032483760 0.06670195088347 15.999 28 O 0.30148050672234 0.01253032483760 0.93329804911653 15.999 29 O 0.86701593695146 0.03552186544439 0.86024599821510 15.999 30 O 0.13298406304854 0.53552186544439 0.13975400178490 15.999 31 O 0.36701593695146 0.46447813455561 0.63975400178490 15.999 32 O 0.63298406304854 0.96447813455561 0.36024599821510 15.999 33 O 0.13298406304854 0.96447813455561 0.13975400178490 15.999 34 O 0.86701593695146 0.46447813455561 0.86024599821510 15.999 35 O 0.63298406304854 0.53552186544439 0.36024599821510 15.999 36 O 0.36701593695146 0.03552186544439 0.63975400178490 15.999 37 O 0.59229605627727 0.92606823681722 0.81890163291521 15.999 38 O 0.40770394372273 0.42606823681722 0.18109836708479 15.999 39 O 0.09229605627727 0.57393176318278 0.68109836708479 15.999 40 O 0.90770394372273 0.07393176318278 0.31890163291521 15.999 41 Si 0.43998984780601 0.05742032555612 0.80891955127945 28.085 42 Si 0.56001015219399 0.55742032555612 0.19108044872055 28.085 43 Si 0.93998984780601 0.44257967444388 0.69108044872055 28.085 44 Si 0.06001015219399 0.94257967444388 0.30891955127945 28.085 45 Si 0.56001015219399 0.94257967444388 0.19108044872055 28.085 46 Si 0.43998984780601 0.44257967444388 0.80891955127945 28.085 47 Si 0.06001015219399 0.55742032555612 0.30891955127945 28.085 48 Si 0.93998984780601 0.05742032555612 0.69108044872055 28.085 49 Sr 0.88880367310631 0.25000000000000 0.07729495055717 87.620 50 Sr 0.11119632689370 0.75000000000000 0.92270504944283 87.620 51 Sr 0.38880367310630 0.25000000000000 0.42270504944283 87.620 52 Sr 0.61119632689369 0.75000000000000 0.57729495055717 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.186813099999998 0.000000000000000 0.000000000000000 b 0.000000000000000 15.838683580000003 0.000000000000000 c 0.000000000000000 0.000000000000000 8.950044430000000 Atomic positions (fractional): 1 B 0.73569568577074 0.45931925604284 0.91618783296669 10.811 > 1 2 B 0.73569568577074 0.95931925604284 0.91618783296669 10.811 > 1 3 B 0.23569568577074 0.45931925604284 0.58381216703331 10.811 > 3 4 B 0.23569568577074 0.95931925604284 0.58381216703331 10.811 > 3 5 B 0.76430431422926 0.20931925604284 0.41618783296669 10.811 > 5 6 B 0.76430431422926 0.70931925604284 0.41618783296669 10.811 > 5 7 B 0.73569568577074 0.29068074395716 0.91618783296669 10.811 > 7 8 B 0.73569568577074 0.79068074395716 0.91618783296669 10.811 > 7 9 B 0.26430431422926 0.04068074395716 0.08381216703331 10.811 > 9 10 B 0.26430431422926 0.54068074395716 0.08381216703331 10.811 > 9 11 B 0.26430431422926 0.20931925604284 0.08381216703331 10.811 > 11 12 B 0.26430431422926 0.70931925604284 0.08381216703331 10.811 > 11 13 B 0.23569568577074 0.29068074395716 0.58381216703331 10.811 > 13 14 B 0.23569568577074 0.79068074395716 0.58381216703331 10.811 > 13 15 B 0.76430431422926 0.04068074395716 0.41618783296669 10.811 > 15 16 B 0.76430431422926 0.54068074395716 0.41618783296669 10.811 > 15 17 O 0.69453749048234 0.12500000000000 0.41730640398504 15.999 > 17 18 O 0.69453749048234 0.62500000000000 0.41730640398504 15.999 > 17 19 O 0.80546250951766 0.37500000000000 0.91730640398504 15.999 > 19 20 O 0.80546250951766 0.87500000000000 0.91730640398504 15.999 > 19 21 O 0.19453749048234 0.12500000000000 0.08269359601496 15.999 > 21 22 O 0.19453749048234 0.62500000000000 0.08269359601496 15.999 > 21 23 O 0.30546250951767 0.37500000000000 0.58269359601496 15.999 > 23 24 O 0.30546250951767 0.87500000000000 0.58269359601496 15.999 > 23 25 O 0.99260724348133 0.37500000000000 0.32841259776632 15.999 > 25 26 O 0.99260724348133 0.87500000000000 0.32841259776632 15.999 > 25 27 O 0.00739275651867 0.12500000000000 0.67158740223368 15.999 > 27 28 O 0.00739275651867 0.62500000000000 0.67158740223368 15.999 > 27 29 O 0.49260724348133 0.37500000000000 0.17158740223368 15.999 > 29 30 O 0.49260724348133 0.87500000000000 0.17158740223368 15.999 > 29 31 O 0.50739275651867 0.12500000000000 0.82841259776632 15.999 > 31 32 O 0.50739275651867 0.62500000000000 0.82841259776632 15.999 > 31 33 O 0.09229605627727 0.46303411840861 0.68109836708479 15.999 > 33 34 O 0.09229605627727 0.96303411840861 0.68109836708479 15.999 > 33 35 O 0.90770394372273 0.21303411840861 0.31890163291521 15.999 > 35 36 O 0.90770394372273 0.71303411840861 0.31890163291521 15.999 > 35 37 O 0.59229605627727 0.28696588159139 0.81890163291521 15.999 > 37 38 O 0.59229605627727 0.78696588159139 0.81890163291521 15.999 > 37 39 O 0.40770394372273 0.03696588159139 0.18109836708479 15.999 > 39 40 O 0.40770394372273 0.53696588159139 0.18109836708479 15.999 > 39 41 O 0.80148050672235 0.00626516241880 0.56670195088347 15.999 > 41 42 O 0.80148050672235 0.50626516241880 0.56670195088347 15.999 > 41 43 O 0.19851949327766 0.25626516241880 0.43329804911653 15.999 > 43 44 O 0.19851949327766 0.75626516241880 0.43329804911653 15.999 > 43 45 O 0.30148050672234 0.24373483758120 0.93329804911653 15.999 > 45 46 O 0.30148050672234 0.74373483758120 0.93329804911653 15.999 > 45 47 O 0.69851949327765 0.49373483758120 0.06670195088347 15.999 > 47 48 O 0.69851949327765 0.99373483758120 0.06670195088347 15.999 > 47 49 O 0.19851949327766 0.49373483758120 0.43329804911653 15.999 > 49 50 O 0.19851949327766 0.99373483758120 0.43329804911653 15.999 > 49 51 O 0.80148050672235 0.24373483758120 0.56670195088347 15.999 > 51 52 O 0.80148050672235 0.74373483758120 0.56670195088347 15.999 > 51 53 O 0.69851949327765 0.25626516241880 0.06670195088347 15.999 > 53 54 O 0.69851949327765 0.75626516241880 0.06670195088347 15.999 > 53 55 O 0.30148050672234 0.00626516241880 0.93329804911653 15.999 > 55 56 O 0.30148050672234 0.50626516241880 0.93329804911653 15.999 > 55 57 O 0.86701593695146 0.01776093272220 0.86024599821510 15.999 > 57 58 O 0.86701593695146 0.51776093272220 0.86024599821510 15.999 > 57 59 O 0.13298406304854 0.26776093272220 0.13975400178490 15.999 > 59 60 O 0.13298406304854 0.76776093272220 0.13975400178490 15.999 > 59 61 O 0.36701593695146 0.23223906727780 0.63975400178490 15.999 > 61 62 O 0.36701593695146 0.73223906727780 0.63975400178490 15.999 > 61 63 O 0.63298406304854 0.48223906727780 0.36024599821510 15.999 > 63 64 O 0.63298406304854 0.98223906727780 0.36024599821510 15.999 > 63 65 O 0.13298406304854 0.48223906727780 0.13975400178490 15.999 > 65 66 O 0.13298406304854 0.98223906727780 0.13975400178490 15.999 > 65 67 O 0.86701593695146 0.23223906727780 0.86024599821510 15.999 > 67 68 O 0.86701593695146 0.73223906727780 0.86024599821510 15.999 > 67 69 O 0.63298406304854 0.26776093272220 0.36024599821510 15.999 > 69 70 O 0.63298406304854 0.76776093272220 0.36024599821510 15.999 > 69 71 O 0.36701593695146 0.01776093272220 0.63975400178490 15.999 > 71 72 O 0.36701593695146 0.51776093272220 0.63975400178490 15.999 > 71 73 O 0.59229605627727 0.46303411840861 0.81890163291521 15.999 > 73 74 O 0.59229605627727 0.96303411840861 0.81890163291521 15.999 > 73 75 O 0.40770394372273 0.21303411840861 0.18109836708479 15.999 > 75 76 O 0.40770394372273 0.71303411840861 0.18109836708479 15.999 > 75 77 O 0.09229605627727 0.28696588159139 0.68109836708479 15.999 > 77 78 O 0.09229605627727 0.78696588159139 0.68109836708479 15.999 > 77 79 O 0.90770394372273 0.03696588159139 0.31890163291521 15.999 > 79 80 O 0.90770394372273 0.53696588159139 0.31890163291521 15.999 > 79 81 Si 0.43998984780601 0.02871016277806 0.80891955127945 28.085 > 81 82 Si 0.43998984780601 0.52871016277806 0.80891955127945 28.085 > 81 83 Si 0.56001015219399 0.27871016277806 0.19108044872055 28.085 > 83 84 Si 0.56001015219399 0.77871016277806 0.19108044872055 28.085 > 83 85 Si 0.93998984780601 0.22128983722194 0.69108044872055 28.085 > 85 86 Si 0.93998984780601 0.72128983722194 0.69108044872055 28.085 > 85 87 Si 0.06001015219399 0.47128983722194 0.30891955127945 28.085 > 87 88 Si 0.06001015219399 0.97128983722194 0.30891955127945 28.085 > 87 89 Si 0.56001015219399 0.47128983722194 0.19108044872055 28.085 > 89 90 Si 0.56001015219399 0.97128983722194 0.19108044872055 28.085 > 89 91 Si 0.43998984780601 0.22128983722194 0.80891955127945 28.085 > 91 92 Si 0.43998984780601 0.72128983722194 0.80891955127945 28.085 > 91 93 Si 0.06001015219399 0.27871016277806 0.30891955127945 28.085 > 93 94 Si 0.06001015219399 0.77871016277806 0.30891955127945 28.085 > 93 95 Si 0.93998984780601 0.02871016277806 0.69108044872055 28.085 > 95 96 Si 0.93998984780601 0.52871016277806 0.69108044872055 28.085 > 95 97 Sr 0.88880367310631 0.12500000000000 0.07729495055717 87.620 > 97 98 Sr 0.88880367310631 0.62500000000000 0.07729495055717 87.620 > 97 99 Sr 0.11119632689370 0.37500000000000 0.92270504944283 87.620 > 99 100 Sr 0.11119632689370 0.87500000000000 0.92270504944283 87.620 > 99 101 Sr 0.38880367310630 0.12500000000000 0.42270504944283 87.620 > 101 102 Sr 0.38880367310630 0.62500000000000 0.42270504944283 87.620 > 101 103 Sr 0.61119632689369 0.37500000000000 0.57729495055717 87.620 > 103 104 Sr 0.61119632689369 0.87500000000000 0.57729495055717 87.620 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8036025 0.0000000 0.0000000 0.0000000 2.8216121 0.0000000 0.0000000 0.0000000 2.8206921 -------------------------- Born effective charges -------------------------- 1 B 2.5837003 -0.0168789 -0.0099525 -0.1897659 2.5262934 -0.0622999 -0.1746667 0.0670216 2.5249083 2 B 2.5837003 -0.0168789 0.0099525 -0.1897659 2.5262934 0.0622999 0.1746667 -0.0670216 2.5249083 3 B 2.5837003 0.0168789 0.0099525 0.1897659 2.5262934 -0.0622999 0.1746667 0.0670216 2.5249083 4 B 2.5837003 0.0168789 -0.0099525 0.1897659 2.5262934 0.0622999 -0.1746667 -0.0670216 2.5249083 5 B 2.5837003 -0.0168789 -0.0099525 -0.1897659 2.5262934 -0.0622999 -0.1746667 0.0670216 2.5249083 6 B 2.5837003 0.0168789 -0.0099525 0.1897659 2.5262934 0.0622999 -0.1746667 -0.0670216 2.5249083 7 B 2.5837003 0.0168789 0.0099525 0.1897659 2.5262934 -0.0622999 0.1746667 0.0670216 2.5249083 8 B 2.5837003 -0.0168789 0.0099525 -0.1897659 2.5262934 0.0622999 0.1746667 -0.0670216 2.5249083 9 O -1.6207050 0.0000000 0.0079127 0.0000000 -2.6433035 0.0000000 -0.0501952 0.0000000 -1.0724784 10 O -1.6207050 0.0000000 -0.0079127 0.0000000 -2.6433035 0.0000000 0.0501952 0.0000000 -1.0724784 11 O -1.6207050 0.0000000 -0.0079127 0.0000000 -2.6433035 0.0000000 0.0501952 0.0000000 -1.0724784 12 O -1.6207050 0.0000000 0.0079127 0.0000000 -2.6433035 0.0000000 -0.0501952 0.0000000 -1.0724784 13 O -1.1808861 0.0000000 0.0291723 0.0000000 -2.8380693 0.0000000 -0.0052493 0.0000000 -1.1155861 14 O -1.1808861 0.0000000 0.0291723 0.0000000 -2.8380693 0.0000000 -0.0052493 0.0000000 -1.1155861 15 O -1.1808861 0.0000000 -0.0291723 0.0000000 -2.8380693 0.0000000 0.0052493 0.0000000 -1.1155861 16 O -1.1808861 0.0000000 -0.0291723 0.0000000 -2.8380693 0.0000000 0.0052493 0.0000000 -1.1155861 17 O -2.2244619 0.5237281 0.5034251 0.4977105 -1.4132629 0.0534796 0.4101170 0.0605820 -1.6199893 18 O -2.2244619 -0.5237281 0.5034251 -0.4977105 -1.4132629 -0.0534796 0.4101170 -0.0605820 -1.6199893 19 O -2.2244619 -0.5237281 -0.5034251 -0.4977105 -1.4132629 0.0534796 -0.4101170 0.0605820 -1.6199893 20 O -2.2244619 0.5237281 -0.5034251 0.4977105 -1.4132629 -0.0534796 -0.4101170 -0.0605820 -1.6199893 21 O -1.5912977 -0.1667489 -0.4880145 -0.1532231 -1.3475045 0.1968522 -0.5824701 0.1957839 -2.3544684 22 O -1.5912977 0.1667489 -0.4880145 0.1532231 -1.3475045 -0.1968522 -0.5824701 -0.1957839 -2.3544684 23 O -1.5912977 0.1667489 0.4880145 0.1532231 -1.3475045 0.1968522 0.5824701 0.1957839 -2.3544684 24 O -1.5912977 -0.1667489 0.4880145 -0.1532231 -1.3475045 -0.1968522 0.5824701 -0.1957839 -2.3544684 25 O -1.5912977 -0.1667489 -0.4880145 -0.1532231 -1.3475045 0.1968522 -0.5824701 0.1957839 -2.3544684 26 O -1.5912977 0.1667489 -0.4880145 0.1532231 -1.3475045 -0.1968522 -0.5824701 -0.1957839 -2.3544684 27 O -1.5912977 0.1667489 0.4880145 0.1532231 -1.3475045 0.1968522 0.5824701 0.1957839 -2.3544684 28 O -1.5912977 -0.1667489 0.4880145 -0.1532231 -1.3475045 -0.1968522 0.5824701 -0.1957839 -2.3544684 29 O -1.7102487 -0.4022535 0.4989499 -0.3798378 -1.5729639 0.2377405 0.4807726 0.1695997 -2.0190207 30 O -1.7102487 0.4022535 0.4989499 0.3798378 -1.5729639 -0.2377405 0.4807726 -0.1695997 -2.0190207 31 O -1.7102487 0.4022535 -0.4989499 0.3798378 -1.5729639 0.2377405 -0.4807726 0.1695997 -2.0190207 32 O -1.7102487 -0.4022535 -0.4989499 -0.3798378 -1.5729639 -0.2377405 -0.4807726 -0.1695997 -2.0190207 33 O -1.7102487 -0.4022535 0.4989499 -0.3798378 -1.5729639 0.2377405 0.4807726 0.1695997 -2.0190207 34 O -1.7102487 0.4022535 0.4989499 0.3798378 -1.5729639 -0.2377405 0.4807726 -0.1695997 -2.0190207 35 O -1.7102487 0.4022535 -0.4989499 0.3798378 -1.5729639 0.2377405 -0.4807726 0.1695997 -2.0190207 36 O -1.7102487 -0.4022535 -0.4989499 -0.3798378 -1.5729639 -0.2377405 -0.4807726 -0.1695997 -2.0190207 37 O -2.2244619 0.5237281 -0.5034251 0.4977105 -1.4132629 -0.0534796 -0.4101170 -0.0605820 -1.6199893 38 O -2.2244619 -0.5237281 -0.5034251 -0.4977105 -1.4132629 0.0534796 -0.4101170 0.0605820 -1.6199893 39 O -2.2244619 -0.5237281 0.5034251 -0.4977105 -1.4132629 -0.0534796 0.4101170 -0.0605820 -1.6199893 40 O -2.2244619 0.5237281 0.5034251 0.4977105 -1.4132629 0.0534796 0.4101170 0.0605820 -1.6199893 41 Si 3.1293050 -0.2772256 0.1089270 0.0447217 3.2178479 0.1872575 -0.0785022 -0.0270627 3.2763663 42 Si 3.1293050 0.2772256 0.1089270 -0.0447217 3.2178479 -0.1872575 -0.0785022 0.0270627 3.2763663 43 Si 3.1293050 0.2772256 -0.1089270 -0.0447217 3.2178479 0.1872575 0.0785022 -0.0270627 3.2763663 44 Si 3.1293050 -0.2772256 -0.1089270 0.0447217 3.2178479 -0.1872575 0.0785022 0.0270627 3.2763663 45 Si 3.1293050 -0.2772256 0.1089270 0.0447217 3.2178479 0.1872575 -0.0785022 -0.0270627 3.2763663 46 Si 3.1293050 0.2772256 0.1089270 -0.0447217 3.2178479 -0.1872575 -0.0785022 0.0270627 3.2763663 47 Si 3.1293050 0.2772256 -0.1089270 -0.0447217 3.2178479 0.1872575 0.0785022 -0.0270627 3.2763663 48 Si 3.1293050 -0.2772256 -0.1089270 0.0447217 3.2178479 -0.1872575 0.0785022 0.0270627 3.2763663 49 Sr 2.4275970 0.0000000 0.1894489 0.0000000 2.6605529 0.0000000 0.1256655 0.0000000 2.5724719 50 Sr 2.4275970 0.0000000 0.1894489 0.0000000 2.6605529 0.0000000 0.1256655 0.0000000 2.5724719 51 Sr 2.4275970 0.0000000 -0.1894489 0.0000000 2.6605529 0.0000000 -0.1256655 0.0000000 2.5724719 52 Sr 2.4275970 0.0000000 -0.1894489 0.0000000 2.6605529 0.0000000 -0.1256655 0.0000000 2.5724719 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) 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 6 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: 0.50, Number of G-points: 283, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 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 2.591 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 8.826 ( 0.000 0.000 0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 9.269 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 10.915 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 0.000) 0.000 11.346 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 11.641 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 11.978 ( 0.000 0.000 0.000) 0.000 12.151 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 12.355 ( 0.000 0.000 0.000) 0.000 12.402 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.930 ( 0.000 0.000 0.000) 0.000 13.045 ( 0.000 0.000 0.000) 0.000 13.123 ( 0.000 0.000 0.000) 0.000 13.130 ( 0.000 0.000 0.000) 0.000 13.358 ( 0.000 0.000 0.000) 0.000 13.501 ( 0.000 0.000 0.000) 0.000 13.539 ( 0.000 0.000 0.000) 0.000 13.697 ( 0.000 0.000 0.000) 0.000 14.771 ( 0.000 0.000 0.000) 0.000 14.972 ( 0.000 0.000 0.000) 0.000 15.136 ( 0.000 0.000 0.000) 0.000 15.510 ( 0.000 0.000 0.000) 0.000 15.826 ( 0.000 0.000 0.000) 0.000 15.891 ( 0.000 0.000 0.000) 0.000 16.173 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 16.556 ( 0.000 0.000 0.000) 0.000 16.682 ( 0.000 0.000 0.000) 0.000 17.165 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 17.491 ( 0.000 0.000 0.000) 0.000 17.509 ( 0.000 0.000 0.000) 0.000 17.553 ( 0.000 0.000 0.000) 0.000 17.762 ( 0.000 0.000 0.000) 0.000 17.869 ( 0.000 0.000 0.000) 0.000 17.874 ( 0.000 0.000 0.000) 0.000 17.984 ( 0.000 0.000 0.000) 0.000 18.493 ( 0.000 0.000 0.000) 0.000 18.870 ( 0.000 0.000 0.000) 0.000 19.436 ( 0.000 0.000 0.000) 0.000 20.077 ( 0.000 0.000 0.000) 0.000 20.239 ( 0.000 0.000 0.000) 0.000 20.807 ( 0.000 0.000 0.000) 0.000 21.014 ( 0.000 0.000 0.000) 0.000 21.389 ( 0.000 0.000 0.000) 0.000 21.395 ( 0.000 0.000 0.000) 0.000 22.275 ( 0.000 0.000 0.000) 0.000 22.647 ( 0.000 0.000 0.000) 0.000 23.865 ( 0.000 0.000 0.000) 0.000 25.031 ( 0.000 0.000 0.000) 0.000 25.216 ( 0.000 0.000 0.000) 0.000 25.457 ( 0.000 0.000 0.000) 0.000 25.612 ( 0.000 0.000 0.000) 0.000 25.840 ( 0.000 0.000 0.000) 0.000 25.884 ( 0.000 0.000 0.000) 0.000 26.027 ( 0.000 0.000 0.000) 0.000 26.487 ( 0.000 0.000 0.000) 0.000 26.690 ( 0.000 0.000 0.000) 0.000 27.249 ( 0.000 0.000 0.000) 0.000 27.256 ( 0.000 0.000 0.000) 0.000 27.426 ( 0.000 0.000 0.000) 0.000 27.472 ( 0.000 0.000 0.000) 0.000 27.566 ( 0.000 0.000 0.000) 0.000 27.714 ( 0.000 0.000 0.000) 0.000 27.843 ( 0.000 0.000 0.000) 0.000 27.913 ( 0.000 0.000 0.000) 0.000 28.115 ( 0.000 0.000 0.000) 0.000 28.195 ( 0.000 0.000 0.000) 0.000 28.455 ( 0.000 0.000 0.000) 0.000 28.595 ( 0.000 0.000 0.000) 0.000 28.630 ( 0.000 0.000 0.000) 0.000 29.004 ( 0.000 0.000 0.000) 0.000 29.044 ( 0.000 0.000 0.000) 0.000 29.051 ( 0.000 0.000 0.000) 0.000 29.071 ( 0.000 0.000 0.000) 0.000 29.097 ( 0.000 0.000 0.000) 0.000 29.427 ( 0.000 0.000 0.000) 0.000 29.842 ( 0.000 0.000 0.000) 0.000 29.981 ( 0.000 0.000 0.000) 0.000 29.993 ( 0.000 0.000 0.000) 0.000 30.149 ( 0.000 0.000 0.000) 0.000 30.168 ( 0.000 0.000 0.000) 0.000 30.232 ( 0.000 0.000 0.000) 0.000 30.275 ( 0.000 0.000 0.000) 0.000 30.924 ( 0.000 0.000 0.000) 0.000 31.786 ( 0.000 0.000 0.000) 0.000 32.313 ( 0.000 0.000 0.000) 0.000 32.450 ( 0.000 0.000 0.000) 0.000 32.721 ( 0.000 0.000 0.000) 0.000 32.795 ( 0.000 0.000 0.000) 0.000 32.922 ( 0.000 0.000 0.000) 0.000 33.081 ( 0.000 0.000 0.000) 0.000 33.349 ( 0.000 0.000 0.000) 0.000 33.399 ( 0.000 0.000 0.000) 0.000 33.431 ( 0.000 0.000 0.000) 0.000 33.437 ( 0.000 0.000 0.000) 0.000 33.486 ( 0.000 0.000 0.000) 0.000 34.066 ( 0.000 0.000 0.000) 0.000 34.561 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 34.592 0.000 0.000) 34.592 0.888 ( 42.361 0.000 0.000) 42.361 1.271 ( 55.949 0.000 0.000) 55.949 2.702 ( 9.812 0.000 0.000) 9.812 2.868 ( 13.278 0.000 0.000) 13.278 2.871 ( -7.107 0.000 0.000) 7.107 3.009 ( 5.738 0.000 0.000) 5.738 3.225 ( -4.956 0.000 0.000) 4.956 3.246 ( -15.371 0.000 0.000) 15.371 3.440 ( 27.232 0.000 0.000) 27.232 3.519 ( 5.367 0.000 0.000) 5.367 3.646 ( 1.339 0.000 0.000) 1.339 3.710 ( -11.734 0.000 0.000) 11.734 3.839 ( 0.180 0.000 0.000) 0.180 3.986 ( -1.121 0.000 0.000) 1.121 4.172 ( 4.008 0.000 0.000) 4.008 4.281 ( -1.711 0.000 0.000) 1.711 4.305 ( -2.941 0.000 0.000) 2.941 4.643 ( 1.240 0.000 0.000) 1.240 4.721 ( -7.782 0.000 0.000) 7.782 4.731 ( 2.832 0.000 0.000) 2.832 4.797 ( 1.339 0.000 0.000) 1.339 4.931 ( -15.853 0.000 0.000) 15.853 5.132 ( -16.102 0.000 0.000) 16.102 5.468 ( 1.050 0.000 0.000) 1.050 5.475 ( -11.594 0.000 0.000) 11.594 5.500 ( -4.909 0.000 0.000) 4.909 5.500 ( 4.604 0.000 0.000) 4.604 6.048 ( 0.438 0.000 0.000) 0.438 6.061 ( -11.214 0.000 0.000) 11.214 6.112 ( 10.518 0.000 0.000) 10.518 6.336 ( 17.099 0.000 0.000) 17.099 6.886 ( 8.141 0.000 0.000) 8.141 6.962 ( 6.243 0.000 0.000) 6.243 7.406 ( -3.718 0.000 0.000) 3.718 7.509 ( 5.588 0.000 0.000) 5.588 7.609 ( -0.146 0.000 0.000) 0.146 7.695 ( 1.623 0.000 0.000) 1.623 7.821 ( 10.547 0.000 0.000) 10.547 8.063 ( -16.672 0.000 0.000) 16.672 8.233 ( -22.209 0.000 0.000) 22.209 8.403 ( -9.105 0.000 0.000) 9.105 8.630 ( -12.478 0.000 0.000) 12.478 8.665 ( 1.175 0.000 0.000) 1.175 8.707 ( -8.822 0.000 0.000) 8.822 8.951 ( -16.631 0.000 0.000) 16.631 8.989 ( -5.864 0.000 0.000) 5.864 9.079 ( 15.448 0.000 0.000) 15.448 9.354 ( 0.590 0.000 0.000) 0.590 9.673 ( 14.544 0.000 0.000) 14.544 9.824 ( 5.009 0.000 0.000) 5.009 9.825 ( 13.081 0.000 0.000) 13.081 10.154 ( 14.928 0.000 0.000) 14.928 10.514 ( 6.160 0.000 0.000) 6.160 11.004 ( -13.444 0.000 0.000) 13.444 11.035 ( -3.544 0.000 0.000) 3.544 11.091 ( 14.905 0.000 0.000) 14.905 11.427 ( 7.806 0.000 0.000) 7.806 11.444 ( -13.497 0.000 0.000) 13.497 11.767 ( -14.288 0.000 0.000) 14.288 11.853 ( 13.876 0.000 0.000) 13.876 12.155 ( 15.985 0.000 0.000) 15.985 12.177 ( 2.444 0.000 0.000) 2.444 12.295 ( 2.819 0.000 0.000) 2.819 12.381 ( 2.084 0.000 0.000) 2.084 12.393 ( -0.002 0.000 0.000) 0.002 12.401 ( -4.689 0.000 0.000) 4.689 12.903 ( -4.402 0.000 0.000) 4.402 12.984 ( -3.492 0.000 0.000) 3.492 13.129 ( -0.099 0.000 0.000) 0.099 13.150 ( -2.865 0.000 0.000) 2.865 13.303 ( -5.198 0.000 0.000) 5.198 13.471 ( -2.596 0.000 0.000) 2.596 13.485 ( -4.801 0.000 0.000) 4.801 13.933 ( 7.768 0.000 0.000) 7.768 14.729 ( -4.251 0.000 0.000) 4.251 15.096 ( -2.684 0.000 0.000) 2.684 15.163 ( 2.494 0.000 0.000) 2.494 15.440 ( -6.201 0.000 0.000) 6.201 15.710 ( -9.524 0.000 0.000) 9.524 15.888 ( -0.312 0.000 0.000) 0.312 16.195 ( 0.799 0.000 0.000) 0.799 16.332 ( 2.830 0.000 0.000) 2.830 16.636 ( 5.551 0.000 0.000) 5.551 16.692 ( 1.180 0.000 0.000) 1.180 17.058 ( -8.720 0.000 0.000) 8.720 17.142 ( -2.848 0.000 0.000) 2.848 17.479 ( -2.872 0.000 0.000) 2.872 17.494 ( 0.406 0.000 0.000) 0.406 17.607 ( 0.259 0.000 0.000) 0.259 17.796 ( 2.816 0.000 0.000) 2.816 17.877 ( 0.695 0.000 0.000) 0.695 17.878 ( 0.364 0.000 0.000) 0.364 17.971 ( -1.030 0.000 0.000) 1.030 18.941 ( 6.197 0.000 0.000) 6.197 19.083 ( 5.136 0.000 0.000) 5.136 19.470 ( 3.726 0.000 0.000) 3.726 20.152 ( 7.048 0.000 0.000) 7.048 20.343 ( -0.274 0.000 0.000) 0.274 20.606 ( -15.696 0.000 0.000) 15.696 21.018 ( -3.282 0.000 0.000) 3.282 21.086 ( -15.287 0.000 0.000) 15.287 21.673 ( 12.876 0.000 0.000) 12.876 22.261 ( -1.549 0.000 0.000) 1.549 22.699 ( 5.867 0.000 0.000) 5.867 23.781 ( -8.183 0.000 0.000) 8.183 25.157 ( 11.299 0.000 0.000) 11.299 25.228 ( 0.938 0.000 0.000) 0.938 25.433 ( -2.201 0.000 0.000) 2.201 25.635 ( 2.218 0.000 0.000) 2.218 25.838 ( -0.356 0.000 0.000) 0.356 25.884 ( -0.281 0.000 0.000) 0.281 26.065 ( 3.633 0.000 0.000) 3.633 26.476 ( -1.392 0.000 0.000) 1.392 26.722 ( 3.275 0.000 0.000) 3.275 27.247 ( -0.314 0.000 0.000) 0.314 27.252 ( -0.191 0.000 0.000) 0.191 27.423 ( -0.372 0.000 0.000) 0.372 27.450 ( -2.065 0.000 0.000) 2.065 27.530 ( -3.711 0.000 0.000) 3.711 27.747 ( 3.100 0.000 0.000) 3.100 27.862 ( 1.862 0.000 0.000) 1.862 28.094 ( -1.846 0.000 0.000) 1.846 28.122 ( -4.972 0.000 0.000) 4.972 28.395 ( -0.232 0.000 0.000) 0.232 28.652 ( 1.737 0.000 0.000) 1.737 28.862 ( 18.574 0.000 0.000) 18.574 28.986 ( -1.072 0.000 0.000) 1.072 29.055 ( -1.340 0.000 0.000) 1.340 29.089 ( 3.975 0.000 0.000) 3.975 29.095 ( 3.504 0.000 0.000) 3.504 29.115 ( 1.611 0.000 0.000) 1.611 29.407 ( -1.727 0.000 0.000) 1.727 29.815 ( -2.275 0.000 0.000) 2.275 29.953 ( -2.488 0.000 0.000) 2.488 29.972 ( -2.012 0.000 0.000) 2.012 30.118 ( -4.584 0.000 0.000) 4.584 30.162 ( 0.766 0.000 0.000) 0.766 30.242 ( 0.807 0.000 0.000) 0.807 30.279 ( 0.230 0.000 0.000) 0.230 31.038 ( 10.830 0.000 0.000) 10.830 31.087 ( -1.396 0.000 0.000) 1.396 31.664 ( -10.052 0.000 0.000) 10.052 32.334 ( -10.050 0.000 0.000) 10.050 32.351 ( 2.517 0.000 0.000) 2.517 32.797 ( 5.900 0.000 0.000) 5.900 32.836 ( -7.702 0.000 0.000) 7.702 32.847 ( 4.799 0.000 0.000) 4.799 33.190 ( 3.232 0.000 0.000) 3.232 33.353 ( 0.279 0.000 0.000) 0.279 33.391 ( -0.918 0.000 0.000) 0.918 33.436 ( 0.890 0.000 0.000) 0.890 33.439 ( -4.420 0.000 0.000) 4.420 34.008 ( -5.469 0.000 0.000) 5.469 34.648 ( 8.128 0.000 0.000) 8.128 35.658 ( -7.809 0.000 0.000) 7.809 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 35.973 0.000 0.000) 35.973 1.697 ( 36.338 0.000 0.000) 36.338 2.125 ( 26.103 0.000 0.000) 26.103 2.739 ( -5.472 0.000 0.000) 5.472 2.795 ( -28.217 0.000 0.000) 28.217 2.813 ( -3.665 0.000 0.000) 3.665 3.134 ( -2.929 0.000 0.000) 2.929 3.225 ( 20.130 0.000 0.000) 20.130 3.243 ( 5.510 0.000 0.000) 5.510 3.505 ( 3.120 0.000 0.000) 3.120 3.583 ( 0.955 0.000 0.000) 0.955 3.669 ( 0.291 0.000 0.000) 0.291 3.885 ( 6.032 0.000 0.000) 6.032 3.926 ( 0.202 0.000 0.000) 0.202 3.973 ( 14.906 0.000 0.000) 14.906 4.190 ( -6.878 0.000 0.000) 6.878 4.309 ( 7.936 0.000 0.000) 7.936 4.323 ( 10.585 0.000 0.000) 10.585 4.445 ( -17.686 0.000 0.000) 17.686 4.658 ( -1.620 0.000 0.000) 1.620 4.691 ( -9.073 0.000 0.000) 9.073 4.811 ( -13.448 0.000 0.000) 13.448 4.831 ( 1.588 0.000 0.000) 1.588 4.910 ( 17.905 0.000 0.000) 17.905 5.123 ( -21.045 0.000 0.000) 21.045 5.496 ( 1.430 0.000 0.000) 1.430 5.501 ( 2.286 0.000 0.000) 2.286 5.548 ( 2.764 0.000 0.000) 2.764 5.853 ( -9.400 0.000 0.000) 9.400 5.949 ( -11.593 0.000 0.000) 11.593 6.374 ( 14.094 0.000 0.000) 14.094 6.685 ( 18.375 0.000 0.000) 18.375 7.048 ( 7.024 0.000 0.000) 7.024 7.084 ( 4.859 0.000 0.000) 4.859 7.114 ( -23.414 0.000 0.000) 23.414 7.632 ( 2.354 0.000 0.000) 2.354 7.658 ( 6.204 0.000 0.000) 6.204 7.696 ( -28.832 0.000 0.000) 28.832 7.766 ( 6.820 0.000 0.000) 6.820 7.961 ( 6.578 0.000 0.000) 6.578 7.998 ( 3.641 0.000 0.000) 3.641 8.228 ( -6.754 0.000 0.000) 6.754 8.413 ( -14.079 0.000 0.000) 14.079 8.418 ( -5.168 0.000 0.000) 5.168 8.568 ( -18.913 0.000 0.000) 18.913 8.617 ( -5.416 0.000 0.000) 5.416 9.021 ( 3.077 0.000 0.000) 3.077 9.153 ( -3.942 0.000 0.000) 3.942 9.594 ( 18.078 0.000 0.000) 18.078 9.948 ( 6.225 0.000 0.000) 6.225 9.952 ( 10.322 0.000 0.000) 10.322 9.979 ( 1.977 0.000 0.000) 1.977 10.497 ( 17.701 0.000 0.000) 17.701 10.679 ( 9.863 0.000 0.000) 9.863 10.805 ( -4.425 0.000 0.000) 4.425 10.941 ( -5.591 0.000 0.000) 5.591 11.168 ( -13.900 0.000 0.000) 13.900 11.220 ( -10.437 0.000 0.000) 10.437 11.646 ( 12.949 0.000 0.000) 12.949 11.685 ( 12.598 0.000 0.000) 12.598 12.067 ( 6.080 0.000 0.000) 6.080 12.229 ( 1.108 0.000 0.000) 1.108 12.256 ( -6.421 0.000 0.000) 6.421 12.265 ( -6.378 0.000 0.000) 6.378 12.422 ( 2.322 0.000 0.000) 2.322 12.461 ( 7.485 0.000 0.000) 7.485 12.477 ( 13.220 0.000 0.000) 13.220 12.728 ( -10.437 0.000 0.000) 10.437 12.976 ( 1.619 0.000 0.000) 1.619 13.047 ( -7.491 0.000 0.000) 7.491 13.078 ( -5.509 0.000 0.000) 5.509 13.166 ( -7.440 0.000 0.000) 7.440 13.402 ( -1.923 0.000 0.000) 1.923 13.422 ( -1.659 0.000 0.000) 1.659 14.135 ( 11.463 0.000 0.000) 11.463 14.594 ( -8.977 0.000 0.000) 8.977 15.077 ( 1.373 0.000 0.000) 1.373 15.232 ( 4.216 0.000 0.000) 4.216 15.293 ( -7.552 0.000 0.000) 7.552 15.505 ( -9.572 0.000 0.000) 9.572 15.898 ( 2.166 0.000 0.000) 2.166 16.148 ( -5.855 0.000 0.000) 5.855 16.423 ( 6.001 0.000 0.000) 6.001 16.680 ( -2.591 0.000 0.000) 2.591 16.732 ( 2.569 0.000 0.000) 2.569 16.889 ( -6.593 0.000 0.000) 6.593 17.140 ( 3.738 0.000 0.000) 3.738 17.393 ( -5.540 0.000 0.000) 5.540 17.513 ( 1.496 0.000 0.000) 1.496 17.593 ( -1.559 0.000 0.000) 1.559 17.852 ( 2.314 0.000 0.000) 2.314 17.886 ( 0.274 0.000 0.000) 0.274 17.896 ( 1.208 0.000 0.000) 1.208 17.948 ( -1.191 0.000 0.000) 1.191 19.083 ( 6.839 0.000 0.000) 6.839 19.182 ( 3.318 0.000 0.000) 3.318 19.606 ( 9.975 0.000 0.000) 9.975 20.244 ( -18.835 0.000 0.000) 18.835 20.344 ( 11.332 0.000 0.000) 11.332 20.372 ( 3.974 0.000 0.000) 3.974 20.781 ( -14.345 0.000 0.000) 14.345 20.857 ( -11.476 0.000 0.000) 11.476 21.911 ( 10.346 0.000 0.000) 10.346 22.205 ( -4.059 0.000 0.000) 4.059 22.900 ( 13.562 0.000 0.000) 13.562 23.544 ( -14.562 0.000 0.000) 14.562 25.258 ( 2.042 0.000 0.000) 2.042 25.375 ( -3.224 0.000 0.000) 3.224 25.430 ( 14.077 0.000 0.000) 14.077 25.697 ( 3.644 0.000 0.000) 3.644 25.812 ( -2.678 0.000 0.000) 2.678 25.852 ( -3.369 0.000 0.000) 3.369 26.167 ( 6.117 0.000 0.000) 6.117 26.417 ( -4.516 0.000 0.000) 4.516 26.841 ( 8.749 0.000 0.000) 8.749 27.221 ( -3.452 0.000 0.000) 3.452 27.264 ( 1.699 0.000 0.000) 1.699 27.393 ( -3.413 0.000 0.000) 3.413 27.406 ( -1.369 0.000 0.000) 1.369 27.424 ( -5.374 0.000 0.000) 5.374 27.832 ( 5.002 0.000 0.000) 5.002 27.919 ( 3.526 0.000 0.000) 3.526 28.033 ( -4.138 0.000 0.000) 4.138 28.049 ( -2.460 0.000 0.000) 2.460 28.450 ( 5.380 0.000 0.000) 5.380 28.667 ( -1.211 0.000 0.000) 1.211 28.973 ( -0.048 0.000 0.000) 0.048 29.021 ( -1.869 0.000 0.000) 1.869 29.157 ( 2.330 0.000 0.000) 2.330 29.167 ( 2.885 0.000 0.000) 2.885 29.174 ( 3.651 0.000 0.000) 3.651 29.209 ( 11.140 0.000 0.000) 11.140 29.391 ( 3.564 0.000 0.000) 3.564 29.764 ( -3.368 0.000 0.000) 3.368 29.899 ( -2.241 0.000 0.000) 2.241 29.920 ( -2.666 0.000 0.000) 2.666 30.015 ( -3.718 0.000 0.000) 3.718 30.144 ( -3.276 0.000 0.000) 3.276 30.259 ( 0.823 0.000 0.000) 0.823 30.280 ( -0.127 0.000 0.000) 0.127 31.099 ( 3.642 0.000 0.000) 3.642 31.337 ( 17.585 0.000 0.000) 17.585 31.444 ( -10.784 0.000 0.000) 10.784 32.070 ( -15.561 0.000 0.000) 15.561 32.395 ( 2.232 0.000 0.000) 2.232 32.647 ( -9.878 0.000 0.000) 9.878 32.927 ( 6.529 0.000 0.000) 6.529 32.969 ( 6.369 0.000 0.000) 6.369 33.265 ( 3.789 0.000 0.000) 3.789 33.324 ( -6.032 0.000 0.000) 6.032 33.340 ( -4.056 0.000 0.000) 4.056 33.355 ( -0.321 0.000 0.000) 0.321 33.502 ( 5.818 0.000 0.000) 5.818 33.856 ( -9.073 0.000 0.000) 9.073 34.868 ( 12.906 0.000 0.000) 12.906 35.440 ( -13.053 0.000 0.000) 13.053 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -34.907 0.000 0.000) 34.907 2.140 ( 34.907 0.000 0.000) 34.907 2.291 ( -15.878 0.000 0.000) 15.878 2.291 ( 15.878 0.000 0.000) 15.878 2.652 ( -0.521 0.000 0.000) 0.521 2.652 ( 0.521 0.000 0.000) 0.521 3.151 ( -4.539 0.000 0.000) 4.539 3.151 ( 4.539 0.000 0.000) 4.539 3.583 ( -11.507 0.000 0.000) 11.507 3.583 ( 11.507 0.000 0.000) 11.507 3.586 ( -0.060 0.000 0.000) 0.060 3.586 ( 0.060 0.000 0.000) 0.060 4.029 ( -7.737 0.000 0.000) 7.737 4.029 ( 7.737 0.000 0.000) 7.737 4.128 ( -9.845 0.000 0.000) 9.845 4.128 ( 9.845 0.000 0.000) 9.845 4.346 ( -29.806 0.000 0.000) 29.806 4.346 ( 29.806 0.000 0.000) 29.806 4.501 ( -9.870 0.000 0.000) 9.870 4.501 ( 9.870 0.000 0.000) 9.870 4.578 ( -10.838 0.000 0.000) 10.838 4.578 ( 10.838 0.000 0.000) 10.838 4.859 ( -2.748 0.000 0.000) 2.748 4.859 ( 2.748 0.000 0.000) 2.748 5.412 ( -18.738 0.000 0.000) 18.738 5.412 ( 18.738 0.000 0.000) 18.738 5.598 ( -12.833 0.000 0.000) 12.833 5.598 ( 12.833 0.000 0.000) 12.833 5.667 ( -8.441 0.000 0.000) 8.441 5.667 ( 8.441 0.000 0.000) 8.441 6.677 ( -16.875 0.000 0.000) 16.875 6.677 ( 16.875 0.000 0.000) 16.875 7.131 ( -25.266 0.000 0.000) 25.266 7.131 ( 25.266 0.000 0.000) 25.266 7.134 ( -0.686 0.000 0.000) 0.686 7.134 ( 0.686 0.000 0.000) 0.686 7.691 ( -2.147 0.000 0.000) 2.147 7.691 ( 2.147 0.000 0.000) 2.147 7.934 ( -7.001 0.000 0.000) 7.001 7.934 ( 7.001 0.000 0.000) 7.001 8.162 ( -11.208 0.000 0.000) 11.208 8.162 ( 11.208 0.000 0.000) 11.208 8.240 ( -10.106 0.000 0.000) 10.106 8.240 ( 10.106 0.000 0.000) 10.106 8.477 ( -7.091 0.000 0.000) 7.091 8.477 ( 7.091 0.000 0.000) 7.091 9.077 ( -2.934 0.000 0.000) 2.934 9.077 ( 2.934 0.000 0.000) 2.934 9.899 ( -10.062 0.000 0.000) 10.062 9.899 ( 10.062 0.000 0.000) 10.062 10.037 ( -1.423 0.000 0.000) 1.423 10.037 ( 1.423 0.000 0.000) 1.423 10.808 ( -8.354 0.000 0.000) 8.354 10.808 ( 8.354 0.000 0.000) 8.354 10.873 ( -13.458 0.000 0.000) 13.458 10.873 ( 13.458 0.000 0.000) 13.458 10.924 ( -14.372 0.000 0.000) 14.372 10.924 ( 14.372 0.000 0.000) 14.372 11.877 ( -4.346 0.000 0.000) 4.346 11.877 ( 4.346 0.000 0.000) 4.346 12.153 ( -4.201 0.000 0.000) 4.201 12.153 ( 4.201 0.000 0.000) 4.201 12.162 ( -3.713 0.000 0.000) 3.713 12.162 ( 3.713 0.000 0.000) 3.713 12.530 ( -8.294 0.000 0.000) 8.294 12.530 ( 8.294 0.000 0.000) 8.294 12.618 ( -3.171 0.000 0.000) 3.171 12.618 ( 3.171 0.000 0.000) 3.171 12.953 ( -2.835 0.000 0.000) 2.835 12.953 ( 2.835 0.000 0.000) 2.835 13.038 ( -4.608 0.000 0.000) 4.608 13.038 ( 4.608 0.000 0.000) 4.608 13.400 ( -0.798 0.000 0.000) 0.798 13.400 ( 0.798 0.000 0.000) 0.798 14.377 ( -11.798 0.000 0.000) 11.798 14.377 ( 11.798 0.000 0.000) 11.798 15.153 ( -5.756 0.000 0.000) 5.756 15.153 ( 5.756 0.000 0.000) 5.756 15.340 ( -6.610 0.000 0.000) 6.610 15.340 ( 6.610 0.000 0.000) 6.610 15.997 ( -7.284 0.000 0.000) 7.284 15.997 ( 7.284 0.000 0.000) 7.284 16.564 ( -7.283 0.000 0.000) 7.283 16.564 ( 7.283 0.000 0.000) 7.283 16.793 ( -3.488 0.000 0.000) 3.488 16.793 ( 3.488 0.000 0.000) 3.488 17.262 ( -6.973 0.000 0.000) 6.973 17.262 ( 6.973 0.000 0.000) 6.973 17.552 ( -2.178 0.000 0.000) 2.178 17.552 ( 2.178 0.000 0.000) 2.178 17.883 ( -0.718 0.000 0.000) 0.718 17.883 ( 0.718 0.000 0.000) 0.718 17.923 ( -1.299 0.000 0.000) 1.299 17.923 ( 1.299 0.000 0.000) 1.299 19.188 ( -2.822 0.000 0.000) 2.822 19.188 ( 2.822 0.000 0.000) 2.822 19.877 ( -16.320 0.000 0.000) 16.320 19.877 ( 16.320 0.000 0.000) 16.320 20.521 ( -10.539 0.000 0.000) 10.539 20.521 ( 10.539 0.000 0.000) 10.539 20.597 ( -13.137 0.000 0.000) 13.137 20.597 ( 13.137 0.000 0.000) 13.137 22.091 ( -7.242 0.000 0.000) 7.242 22.091 ( 7.242 0.000 0.000) 7.242 23.217 ( -16.666 0.000 0.000) 16.666 23.217 ( 16.666 0.000 0.000) 16.666 25.310 ( -2.997 0.000 0.000) 2.997 25.310 ( 2.997 0.000 0.000) 2.997 25.685 ( -10.123 0.000 0.000) 10.123 25.685 ( 10.123 0.000 0.000) 10.123 25.774 ( -3.772 0.000 0.000) 3.772 25.774 ( 3.772 0.000 0.000) 3.772 26.300 ( -6.581 0.000 0.000) 6.581 26.300 ( 6.581 0.000 0.000) 6.581 27.059 ( -11.284 0.000 0.000) 11.284 27.059 ( 11.284 0.000 0.000) 11.284 27.320 ( -3.492 0.000 0.000) 3.492 27.320 ( 3.492 0.000 0.000) 3.492 27.379 ( -0.597 0.000 0.000) 0.597 27.379 ( 0.597 0.000 0.000) 0.597 27.938 ( -5.168 0.000 0.000) 5.168 27.938 ( 5.168 0.000 0.000) 5.168 27.991 ( -3.294 0.000 0.000) 3.294 27.991 ( 3.294 0.000 0.000) 3.294 28.584 ( -6.530 0.000 0.000) 6.530 28.584 ( 6.530 0.000 0.000) 6.530 28.987 ( -1.345 0.000 0.000) 1.345 28.987 ( 1.345 0.000 0.000) 1.345 29.192 ( -0.530 0.000 0.000) 0.530 29.192 ( 0.530 0.000 0.000) 0.530 29.236 ( -2.613 0.000 0.000) 2.613 29.236 ( 2.613 0.000 0.000) 2.613 29.610 ( -11.716 0.000 0.000) 11.716 29.610 ( 11.716 0.000 0.000) 11.716 29.881 ( -0.730 0.000 0.000) 0.730 29.881 ( 0.730 0.000 0.000) 0.730 30.041 ( -5.354 0.000 0.000) 5.354 30.041 ( 5.354 0.000 0.000) 5.354 30.273 ( -0.539 0.000 0.000) 0.539 30.273 ( 0.539 0.000 0.000) 0.539 31.237 ( -9.160 0.000 0.000) 9.160 31.237 ( 9.160 0.000 0.000) 9.160 31.715 ( -18.726 0.000 0.000) 18.726 31.715 ( 18.726 0.000 0.000) 18.726 32.475 ( -6.272 0.000 0.000) 6.272 32.475 ( 6.272 0.000 0.000) 6.272 33.034 ( -2.133 0.000 0.000) 2.133 33.034 ( 2.133 0.000 0.000) 2.133 33.260 ( -1.708 0.000 0.000) 1.708 33.260 ( 1.708 0.000 0.000) 1.708 33.330 ( -2.274 0.000 0.000) 2.274 33.330 ( 2.274 0.000 0.000) 2.274 33.662 ( -9.329 0.000 0.000) 9.329 33.662 ( 9.329 0.000 0.000) 9.329 35.152 ( -14.597 0.000 0.000) 14.597 35.152 ( 14.597 0.000 0.000) 14.597 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 38.315 0.000) 38.315 0.941 ( 0.000 44.259 0.000) 44.259 1.634 ( 0.000 72.696 0.000) 72.696 2.519 ( 0.000 -5.494 0.000) 5.494 2.840 ( 0.000 2.122 0.000) 2.122 2.958 ( 0.000 -0.333 0.000) 0.333 3.096 ( 0.000 7.826 0.000) 7.826 3.185 ( 0.000 -0.139 0.000) 0.139 3.300 ( 0.000 -0.259 0.000) 0.259 3.332 ( 0.000 -6.848 0.000) 6.848 3.375 ( 0.000 -4.325 0.000) 4.325 3.670 ( 0.000 2.645 0.000) 2.645 3.710 ( 0.000 3.150 0.000) 3.150 3.779 ( 0.000 -3.219 0.000) 3.219 3.909 ( 0.000 0.317 0.000) 0.317 4.015 ( 0.000 -8.780 0.000) 8.780 4.151 ( 0.000 -14.262 0.000) 14.262 4.414 ( 0.000 7.916 0.000) 7.916 4.551 ( 0.000 -7.121 0.000) 7.121 4.559 ( 0.000 -10.746 0.000) 10.746 4.657 ( 0.000 -13.627 0.000) 13.627 4.799 ( 0.000 3.022 0.000) 3.022 5.212 ( 0.000 -5.141 0.000) 5.141 5.265 ( 0.000 -17.579 0.000) 17.579 5.448 ( 0.000 6.002 0.000) 6.002 5.461 ( 0.000 10.544 0.000) 10.544 5.717 ( 0.000 21.192 0.000) 21.192 5.838 ( 0.000 -9.142 0.000) 9.142 5.845 ( 0.000 11.142 0.000) 11.142 5.928 ( 0.000 -6.303 0.000) 6.303 6.098 ( 0.000 5.412 0.000) 5.412 6.460 ( 0.000 10.752 0.000) 10.752 6.809 ( 0.000 3.026 0.000) 3.026 6.974 ( 0.000 7.687 0.000) 7.687 7.072 ( 0.000 -24.548 0.000) 24.548 7.375 ( 0.000 -12.091 0.000) 12.091 7.527 ( 0.000 -15.569 0.000) 15.569 7.539 ( 0.000 -7.113 0.000) 7.113 7.560 ( 0.000 -8.020 0.000) 8.020 8.150 ( 0.000 -13.633 0.000) 13.633 8.488 ( 0.000 -6.616 0.000) 6.616 8.542 ( 0.000 -3.932 0.000) 3.932 8.543 ( 0.000 19.703 0.000) 19.703 8.892 ( 0.000 6.106 0.000) 6.106 9.067 ( 0.000 14.280 0.000) 14.280 9.111 ( 0.000 10.802 0.000) 10.802 9.158 ( 0.000 1.816 0.000) 1.816 9.272 ( 0.000 11.679 0.000) 11.679 9.275 ( 0.000 -23.404 0.000) 23.404 9.325 ( 0.000 0.528 0.000) 0.528 9.693 ( 0.000 -10.086 0.000) 10.086 9.754 ( 0.000 17.492 0.000) 17.492 9.794 ( 0.000 3.441 0.000) 3.441 10.723 ( 0.000 -12.333 0.000) 12.333 10.827 ( 0.000 21.240 0.000) 21.240 10.838 ( 0.000 -5.788 0.000) 5.788 11.061 ( 0.000 -8.248 0.000) 8.248 11.465 ( 0.000 -10.930 0.000) 10.930 11.478 ( 0.000 7.485 0.000) 7.485 11.623 ( 0.000 -1.336 0.000) 1.336 11.676 ( 0.000 -21.556 0.000) 21.556 12.042 ( 0.000 -8.835 0.000) 8.835 12.144 ( 0.000 -2.439 0.000) 2.439 12.342 ( 0.000 2.805 0.000) 2.805 12.366 ( 0.000 -3.071 0.000) 3.071 12.392 ( 0.000 2.769 0.000) 2.769 12.821 ( 0.000 11.060 0.000) 11.060 13.020 ( 0.000 2.637 0.000) 2.637 13.027 ( 0.000 4.545 0.000) 4.545 13.306 ( 0.000 15.156 0.000) 15.156 13.319 ( 0.000 6.473 0.000) 6.473 13.334 ( 0.000 1.765 0.000) 1.765 13.672 ( 0.000 12.531 0.000) 12.531 13.678 ( 0.000 14.590 0.000) 14.590 13.837 ( 0.000 14.565 0.000) 14.565 14.697 ( 0.000 -6.789 0.000) 6.789 14.967 ( 0.000 -0.271 0.000) 0.271 15.235 ( 0.000 2.584 0.000) 2.584 15.424 ( 0.000 -7.203 0.000) 7.203 15.757 ( 0.000 -9.431 0.000) 9.431 15.899 ( 0.000 3.703 0.000) 3.703 16.167 ( 0.000 0.053 0.000) 0.053 16.335 ( 0.000 -14.984 0.000) 14.984 16.337 ( 0.000 2.690 0.000) 2.690 16.843 ( 0.000 11.691 0.000) 11.691 17.109 ( 0.000 -4.495 0.000) 4.495 17.278 ( 0.000 -16.051 0.000) 16.051 17.339 ( 0.000 11.348 0.000) 11.348 17.461 ( 0.000 -7.583 0.000) 7.583 17.691 ( 0.000 -14.205 0.000) 14.205 17.713 ( 0.000 -9.711 0.000) 9.711 17.809 ( 0.000 -13.853 0.000) 13.853 17.838 ( 0.000 3.935 0.000) 3.935 18.131 ( 0.000 10.022 0.000) 10.022 18.640 ( 0.000 9.487 0.000) 9.487 18.700 ( 0.000 -14.711 0.000) 14.711 19.400 ( 0.000 -1.073 0.000) 1.073 20.284 ( 0.000 -6.151 0.000) 6.151 20.474 ( 0.000 20.265 0.000) 20.265 20.953 ( 0.000 9.798 0.000) 9.798 21.159 ( 0.000 11.531 0.000) 11.531 21.223 ( 0.000 -9.026 0.000) 9.026 21.299 ( 0.000 -8.207 0.000) 8.207 22.234 ( 0.000 -4.794 0.000) 4.794 22.987 ( 0.000 27.333 0.000) 27.333 23.962 ( 0.000 2.035 0.000) 2.035 25.082 ( 0.000 -12.004 0.000) 12.004 25.095 ( 0.000 -0.358 0.000) 0.358 25.404 ( 0.000 1.858 0.000) 1.858 25.672 ( 0.000 4.793 0.000) 4.793 25.893 ( 0.000 4.660 0.000) 4.660 25.997 ( 0.000 -2.743 0.000) 2.743 26.386 ( 0.000 -5.764 0.000) 5.764 26.759 ( 0.000 6.060 0.000) 6.060 26.763 ( 0.000 10.835 0.000) 10.835 27.238 ( 0.000 -1.752 0.000) 1.752 27.269 ( 0.000 1.786 0.000) 1.786 27.297 ( 0.000 -15.173 0.000) 15.173 27.450 ( 0.000 2.204 0.000) 2.204 27.529 ( 0.000 -2.672 0.000) 2.672 27.826 ( 0.000 8.829 0.000) 8.829 27.842 ( 0.000 -0.551 0.000) 0.551 27.866 ( 0.000 -4.585 0.000) 4.585 28.169 ( 0.000 4.844 0.000) 4.844 28.240 ( 0.000 2.308 0.000) 2.308 28.454 ( 0.000 1.977 0.000) 1.977 28.485 ( 0.000 -8.803 0.000) 8.803 28.613 ( 0.000 -1.643 0.000) 1.643 28.942 ( 0.000 -6.142 0.000) 6.142 29.050 ( 0.000 0.680 0.000) 0.680 29.074 ( 0.000 2.188 0.000) 2.188 29.098 ( 0.000 1.923 0.000) 1.923 29.401 ( 0.000 -2.193 0.000) 2.193 29.515 ( 0.000 2.672 0.000) 2.672 29.714 ( 0.000 -9.722 0.000) 9.722 29.871 ( 0.000 -9.966 0.000) 9.966 29.926 ( 0.000 -14.703 0.000) 14.703 29.985 ( 0.000 -4.631 0.000) 4.631 30.142 ( 0.000 -1.916 0.000) 1.916 30.271 ( 0.000 -1.898 0.000) 1.898 31.105 ( 0.000 14.566 0.000) 14.566 31.781 ( 0.000 0.894 0.000) 0.894 32.101 ( 0.000 5.248 0.000) 5.248 32.262 ( 0.000 -3.743 0.000) 3.743 32.476 ( 0.000 2.285 0.000) 2.285 32.762 ( 0.000 0.448 0.000) 0.448 32.810 ( 0.000 -8.674 0.000) 8.674 33.106 ( 0.000 2.996 0.000) 2.996 33.310 ( 0.000 3.987 0.000) 3.987 33.363 ( 0.000 -6.662 0.000) 6.662 33.496 ( 0.000 2.264 0.000) 2.264 33.511 ( 0.000 9.120 0.000) 9.120 33.599 ( 0.000 9.414 0.000) 9.414 34.234 ( 0.000 14.340 0.000) 14.340 34.474 ( 0.000 -8.041 0.000) 8.041 35.428 ( 0.000 -5.849 0.000) 5.849 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 15.453 31.886 0.000) 35.433 1.266 ( 26.896 30.203 0.000) 40.443 2.068 ( 33.656 55.216 0.000) 64.665 2.670 ( 11.763 -2.652 0.000) 12.059 2.875 ( -7.177 0.575 0.000) 7.200 2.955 ( 12.064 5.605 0.000) 13.303 2.970 ( 1.156 -0.536 0.000) 1.274 3.182 ( -9.399 -4.599 0.000) 10.464 3.209 ( -10.142 -2.319 0.000) 10.404 3.406 ( 14.746 -6.719 0.000) 16.205 3.468 ( 4.449 -4.523 0.000) 6.345 3.679 ( 0.547 1.688 0.000) 1.774 3.691 ( -9.147 -2.718 0.000) 9.542 3.846 ( -1.932 -0.007 0.000) 1.932 3.901 ( 9.646 2.183 0.000) 9.890 4.026 ( 1.924 -11.615 0.000) 11.773 4.141 ( -1.802 -13.982 0.000) 14.098 4.381 ( -2.303 5.689 0.000) 6.138 4.471 ( -4.600 -13.717 0.000) 14.468 4.570 ( 1.776 -10.178 0.000) 10.332 4.691 ( 0.604 -4.132 0.000) 4.176 4.820 ( 1.901 4.525 0.000) 4.908 5.189 ( -7.095 1.628 0.000) 7.280 5.195 ( -14.271 15.736 0.000) 21.243 5.310 ( -8.984 2.076 0.000) 9.220 5.326 ( 6.882 -6.221 0.000) 9.277 5.777 ( 0.571 19.216 0.000) 19.224 5.849 ( -1.841 17.001 0.000) 17.100 5.953 ( 0.523 -9.302 0.000) 9.317 6.025 ( 9.226 -8.052 0.000) 12.246 6.102 ( 1.004 1.070 0.000) 1.468 6.292 ( -4.939 2.436 0.000) 5.507 6.941 ( 6.665 -2.905 0.000) 7.271 6.993 ( -5.133 -16.335 0.000) 17.122 7.001 ( 2.463 1.977 0.000) 3.158 7.422 ( 4.442 -10.781 0.000) 11.660 7.541 ( 0.313 -9.454 0.000) 9.459 7.569 ( 5.343 -16.566 0.000) 17.406 7.722 ( 11.333 -9.375 0.000) 14.708 8.076 ( -6.523 -10.429 0.000) 12.301 8.297 ( -18.612 23.535 0.000) 30.005 8.378 ( -14.087 1.444 0.000) 14.161 8.557 ( 2.866 -3.528 0.000) 4.545 8.745 ( -19.762 -13.736 0.000) 24.067 8.806 ( -12.140 1.931 0.000) 12.293 8.905 ( -13.064 6.202 0.000) 14.461 9.196 ( 9.260 6.764 0.000) 11.467 9.224 ( 2.173 21.811 0.000) 21.919 9.407 ( 2.195 7.048 0.000) 7.382 9.619 ( 11.189 -12.707 0.000) 16.932 9.780 ( 7.245 -3.112 0.000) 7.885 9.880 ( 7.513 2.824 0.000) 8.026 9.920 ( 14.994 4.890 0.000) 15.772 10.781 ( 3.184 -14.195 0.000) 14.548 10.879 ( 0.249 -12.077 0.000) 12.080 10.886 ( 0.943 7.722 0.000) 7.780 10.984 ( -1.618 10.275 0.000) 10.401 11.327 ( -0.527 -11.295 0.000) 11.307 11.447 ( 3.978 1.166 0.000) 4.145 11.835 ( 11.206 -1.944 0.000) 11.373 11.858 ( 4.185 -13.092 0.000) 13.744 12.076 ( -3.658 1.980 0.000) 4.159 12.079 ( 2.989 -8.245 0.000) 8.770 12.324 ( 1.433 -1.517 0.000) 2.087 12.350 ( 1.495 4.509 0.000) 4.751 12.470 ( 3.220 3.089 0.000) 4.462 12.665 ( -7.336 16.230 0.000) 17.811 12.915 ( -10.816 1.076 0.000) 10.870 12.992 ( -0.789 4.640 0.000) 4.706 13.267 ( -3.991 7.803 0.000) 8.764 13.334 ( -0.025 9.671 0.000) 9.671 13.385 ( 3.975 9.624 0.000) 10.413 13.595 ( -7.996 13.219 0.000) 15.449 13.626 ( -4.150 11.970 0.000) 12.669 13.942 ( 7.420 6.848 0.000) 10.097 14.653 ( -4.501 -6.989 0.000) 8.313 14.993 ( 0.787 -4.232 0.000) 4.304 15.230 ( 1.246 4.211 0.000) 4.391 15.353 ( -6.096 -7.093 0.000) 9.353 15.715 ( -4.896 -5.311 0.000) 7.223 15.832 ( -4.144 0.130 0.000) 4.146 16.141 ( -2.345 -3.338 0.000) 4.079 16.376 ( 3.127 -14.409 0.000) 14.745 16.395 ( 3.993 3.703 0.000) 5.446 16.882 ( 3.358 9.369 0.000) 9.953 17.008 ( -7.687 -3.356 0.000) 8.388 17.290 ( -3.102 8.111 0.000) 8.684 17.325 ( 3.298 -9.413 0.000) 9.974 17.462 ( -0.881 -6.779 0.000) 6.836 17.667 ( -1.918 -0.740 0.000) 2.055 17.719 ( 0.390 -13.346 0.000) 13.352 17.773 ( -1.598 -9.265 0.000) 9.402 17.889 ( 2.830 -0.566 0.000) 2.886 17.980 ( -5.275 11.452 0.000) 12.608 18.756 ( 4.982 -15.543 0.000) 16.322 18.885 ( 11.518 -6.637 0.000) 13.293 19.445 ( 4.697 -0.175 0.000) 4.700 20.214 ( 0.524 2.866 0.000) 2.913 20.606 ( 5.843 16.700 0.000) 17.692 20.721 ( -17.607 5.736 0.000) 18.517 21.083 ( -6.492 5.690 0.000) 8.633 21.121 ( -7.539 4.203 0.000) 8.632 21.515 ( 13.161 -9.265 0.000) 16.095 22.198 ( -3.029 -5.417 0.000) 6.206 23.023 ( 4.189 25.945 0.000) 26.281 23.885 ( -6.875 6.677 0.000) 9.584 25.093 ( 0.965 -12.058 0.000) 12.097 25.161 ( 4.413 -7.145 0.000) 8.398 25.437 ( 4.291 7.811 0.000) 8.912 25.690 ( 1.864 4.802 0.000) 5.151 25.887 ( -0.703 4.272 0.000) 4.329 26.036 ( 3.708 -2.607 0.000) 4.533 26.238 ( -12.777 17.728 0.000) 21.853 26.460 ( -4.950 3.505 0.000) 6.065 26.781 ( 2.249 5.145 0.000) 5.615 27.233 ( -0.246 -1.632 0.000) 1.650 27.258 ( -1.075 -1.569 0.000) 1.902 27.302 ( 0.166 -9.400 0.000) 9.401 27.448 ( -0.270 2.131 0.000) 2.148 27.537 ( 0.475 -1.857 0.000) 1.917 27.812 ( -1.110 7.112 0.000) 7.198 27.870 ( 3.019 0.775 0.000) 3.117 28.075 ( -3.902 -6.601 0.000) 7.668 28.147 ( -1.772 4.863 0.000) 5.176 28.284 ( 2.037 -9.168 0.000) 9.391 28.587 ( 20.250 -17.453 0.000) 26.733 28.630 ( 1.157 -2.123 0.000) 2.418 28.928 ( 21.875 -7.375 0.000) 23.085 28.963 ( 1.326 -4.258 0.000) 4.460 29.049 ( 1.046 -1.841 0.000) 2.117 29.090 ( -0.011 1.254 0.000) 1.254 29.106 ( 2.158 0.704 0.000) 2.270 29.384 ( -1.510 -2.166 0.000) 2.640 29.613 ( 8.756 -8.675 0.000) 12.326 29.672 ( -3.513 -10.540 0.000) 11.110 29.850 ( -1.939 -9.301 0.000) 9.501 29.956 ( -0.339 -3.161 0.000) 3.179 29.982 ( 2.943 -14.072 0.000) 14.376 30.095 ( -4.172 -1.336 0.000) 4.381 30.278 ( 0.317 -1.981 0.000) 2.007 31.200 ( 9.139 13.501 0.000) 16.304 31.691 ( -7.437 3.443 0.000) 8.195 31.845 ( -19.091 23.610 0.000) 30.363 32.260 ( -1.726 -3.620 0.000) 4.010 32.443 ( -2.782 4.922 0.000) 5.654 32.752 ( -4.718 -7.452 0.000) 8.820 32.807 ( 4.517 -0.919 0.000) 4.609 33.028 ( -3.737 8.183 0.000) 8.996 33.179 ( -4.223 -0.579 0.000) 4.263 33.236 ( -4.566 -0.478 0.000) 4.591 33.474 ( -4.411 1.907 0.000) 4.806 33.522 ( -4.511 6.615 0.000) 8.007 33.623 ( 5.998 12.667 0.000) 14.015 34.176 ( -4.970 14.351 0.000) 15.188 34.568 ( 8.584 -7.215 0.000) 11.214 35.468 ( -2.189 -12.255 0.000) 12.449 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 24.498 10.616 0.000) 26.700 1.859 ( 28.182 14.311 0.000) 31.607 2.524 ( 9.371 25.694 0.000) 27.350 2.630 ( -20.104 -5.502 0.000) 20.843 2.829 ( -3.931 2.067 0.000) 4.441 2.899 ( -10.947 5.514 0.000) 12.258 3.085 ( -2.513 -3.196 0.000) 4.066 3.180 ( 19.020 3.053 0.000) 19.264 3.295 ( 6.302 0.866 0.000) 6.361 3.527 ( 1.354 -5.211 0.000) 5.384 3.544 ( 2.210 -1.183 0.000) 2.506 3.666 ( 11.153 -12.537 0.000) 16.780 3.673 ( -1.662 -1.041 0.000) 1.961 3.876 ( 11.095 0.530 0.000) 11.108 4.027 ( -4.793 -15.479 0.000) 16.204 4.104 ( 10.029 5.644 0.000) 11.508 4.150 ( 5.435 -7.802 0.000) 9.509 4.378 ( 3.223 3.257 0.000) 4.582 4.404 ( -2.951 -10.452 0.000) 10.861 4.561 ( -4.788 -8.891 0.000) 10.098 4.599 ( -9.831 6.570 0.000) 11.825 4.962 ( 9.935 12.239 0.000) 15.763 5.019 ( -7.553 9.703 0.000) 12.296 5.074 ( 7.918 11.547 0.000) 14.001 5.154 ( -11.064 4.071 0.000) 11.789 5.457 ( 6.859 -4.734 0.000) 8.334 5.635 ( -11.565 6.998 0.000) 13.518 5.740 ( -2.476 18.208 0.000) 18.376 5.885 ( -5.427 6.881 0.000) 8.764 6.028 ( -9.766 5.538 0.000) 11.227 6.240 ( 10.509 -10.950 0.000) 15.177 6.446 ( 12.417 -20.382 0.000) 23.866 6.785 ( -11.449 -16.646 0.000) 20.203 7.020 ( -2.263 -11.735 0.000) 11.951 7.117 ( 8.258 4.847 0.000) 9.575 7.492 ( -2.413 -5.209 0.000) 5.741 7.569 ( 2.742 -8.726 0.000) 9.146 7.686 ( 2.907 -18.892 0.000) 19.115 7.878 ( -9.331 -0.789 0.000) 9.365 7.930 ( 7.066 -8.872 0.000) 11.342 7.978 ( -7.230 18.360 0.000) 19.732 8.131 ( -4.269 -0.553 0.000) 4.305 8.434 ( -12.932 -9.460 0.000) 16.023 8.489 ( -16.705 -3.793 0.000) 17.130 8.587 ( -0.101 3.194 0.000) 3.195 8.667 ( -8.407 16.618 0.000) 18.623 9.248 ( 0.409 18.296 0.000) 18.301 9.325 ( -2.173 14.343 0.000) 14.507 9.489 ( 10.962 -6.717 0.000) 12.857 9.745 ( 1.746 -13.515 0.000) 13.627 9.957 ( 8.323 -5.410 0.000) 9.927 10.020 ( 5.051 1.452 0.000) 5.256 10.250 ( 15.564 0.733 0.000) 15.581 10.748 ( -10.029 -13.883 0.000) 17.126 10.788 ( -3.513 -1.307 0.000) 3.748 10.821 ( -0.164 -8.824 0.000) 8.825 11.151 ( 12.166 23.222 0.000) 26.216 11.523 ( 13.830 -14.189 0.000) 19.814 11.620 ( 11.148 -2.933 0.000) 11.527 11.721 ( -11.322 18.450 0.000) 21.647 11.956 ( 1.128 -9.364 0.000) 9.431 12.094 ( 0.497 -12.660 0.000) 12.670 12.152 ( 5.351 -6.663 0.000) 8.545 12.334 ( -3.052 5.222 0.000) 6.048 12.442 ( 0.514 1.177 0.000) 1.284 12.523 ( 8.921 4.575 0.000) 10.026 12.531 ( -11.217 0.518 0.000) 11.229 12.735 ( -0.667 5.490 0.000) 5.531 13.022 ( 3.785 5.656 0.000) 6.806 13.163 ( -5.355 8.234 0.000) 9.822 13.301 ( -4.347 12.781 0.000) 13.500 13.338 ( -11.824 20.634 0.000) 23.782 13.496 ( 2.238 7.806 0.000) 8.120 13.542 ( -2.625 10.719 0.000) 11.036 14.104 ( 8.685 -0.704 0.000) 8.714 14.511 ( -9.186 -7.445 0.000) 11.824 15.007 ( 1.720 -4.918 0.000) 5.210 15.213 ( -7.123 -6.415 0.000) 9.585 15.297 ( 4.752 5.164 0.000) 7.018 15.567 ( -8.242 3.287 0.000) 8.873 15.804 ( 1.774 -6.826 0.000) 7.052 16.055 ( -6.400 -6.786 0.000) 9.328 16.435 ( 2.291 -12.321 0.000) 12.532 16.455 ( 1.507 0.339 0.000) 1.545 16.889 ( -2.584 1.434 0.000) 2.955 16.934 ( 0.388 7.452 0.000) 7.462 17.245 ( 0.486 7.491 0.000) 7.507 17.411 ( -4.018 -3.818 0.000) 5.543 17.418 ( 5.099 -5.132 0.000) 7.234 17.611 ( -3.664 3.486 0.000) 5.058 17.728 ( 0.496 -10.955 0.000) 10.966 17.750 ( -0.757 -9.893 0.000) 9.922 17.932 ( 1.262 -0.330 0.000) 1.304 17.936 ( -0.183 2.416 0.000) 2.422 18.876 ( 6.192 -16.455 0.000) 17.581 19.014 ( 1.704 -12.080 0.000) 12.199 19.616 ( 12.350 2.585 0.000) 12.618 20.324 ( 9.351 2.323 0.000) 9.636 20.329 ( -20.061 4.879 0.000) 20.646 20.706 ( 4.917 20.026 0.000) 20.621 20.868 ( -14.116 4.902 0.000) 14.943 20.964 ( -7.245 11.049 0.000) 13.213 21.767 ( 11.278 -9.104 0.000) 14.494 22.112 ( -5.562 -7.337 0.000) 9.206 23.175 ( 10.568 22.111 0.000) 24.507 23.693 ( -11.744 12.203 0.000) 16.936 25.120 ( 1.734 -12.367 0.000) 12.488 25.197 ( -0.802 -13.725 0.000) 13.748 25.603 ( 10.530 11.797 0.000) 15.814 25.752 ( 4.338 6.099 0.000) 7.485 25.857 ( -2.437 3.726 0.000) 4.452 26.049 ( -7.604 16.403 0.000) 18.080 26.139 ( 6.143 -2.369 0.000) 6.584 26.385 ( -4.398 -2.234 0.000) 4.933 26.878 ( 7.632 3.220 0.000) 8.284 27.209 ( -4.380 -3.713 0.000) 5.742 27.242 ( 1.436 -1.703 0.000) 2.227 27.301 ( -0.119 -2.827 0.000) 2.829 27.436 ( -0.824 2.525 0.000) 2.656 27.510 ( -3.774 3.335 0.000) 5.037 27.814 ( 2.207 -0.024 0.000) 2.207 27.941 ( 2.399 -0.086 0.000) 2.400 28.007 ( -1.707 -0.219 0.000) 1.721 28.108 ( -2.146 5.399 0.000) 5.810 28.351 ( 5.894 -8.883 0.000) 10.660 28.625 ( -2.689 -4.032 0.000) 4.846 28.920 ( 11.609 -16.295 0.000) 20.008 28.979 ( 0.598 -0.016 0.000) 0.598 29.039 ( -1.418 1.005 0.000) 1.738 29.089 ( 1.422 -8.096 0.000) 8.220 29.150 ( 2.470 -1.992 0.000) 3.173 29.224 ( 4.252 -2.357 0.000) 4.862 29.380 ( 3.786 -1.167 0.000) 3.962 29.603 ( -2.962 -10.643 0.000) 11.047 29.765 ( 4.209 -18.502 0.000) 18.974 29.805 ( -1.828 -9.105 0.000) 9.286 29.914 ( -2.306 -1.514 0.000) 2.759 29.990 ( -5.588 -0.091 0.000) 5.588 30.105 ( 7.281 -11.214 0.000) 13.370 30.273 ( -0.988 -3.140 0.000) 3.292 31.445 ( 10.856 13.425 0.000) 17.265 31.538 ( -6.594 8.860 0.000) 11.044 31.557 ( -4.367 23.473 0.000) 23.875 32.124 ( -11.849 3.706 0.000) 12.415 32.416 ( 0.946 2.564 0.000) 2.733 32.630 ( -7.397 -2.049 0.000) 7.676 32.935 ( 7.437 -1.767 0.000) 7.644 33.048 ( 4.713 3.329 0.000) 5.770 33.143 ( -1.056 -6.401 0.000) 6.487 33.175 ( -1.290 -5.750 0.000) 5.893 33.350 ( -6.816 1.258 0.000) 6.931 33.391 ( -7.381 2.709 0.000) 7.863 33.760 ( 6.820 15.891 0.000) 17.292 34.048 ( -7.179 15.273 0.000) 16.876 34.791 ( 12.600 -6.909 0.000) 14.370 35.320 ( -11.033 -10.145 0.000) 14.988 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -25.192 -4.160 0.000) 25.533 1.991 ( 25.192 -4.160 0.000) 25.534 2.471 ( -15.752 7.507 0.000) 17.449 2.471 ( 15.752 7.507 0.000) 17.449 2.753 ( -4.172 9.167 0.000) 10.072 2.753 ( 4.172 9.167 0.000) 10.072 3.133 ( -6.279 -0.003 0.000) 6.279 3.133 ( 6.279 -0.003 0.000) 6.279 3.539 ( -0.204 -3.188 0.000) 3.195 3.539 ( 0.204 -3.188 0.000) 3.195 3.581 ( -8.147 -2.967 0.000) 8.671 3.581 ( 8.147 -2.967 0.000) 8.671 3.878 ( -9.630 -9.577 0.000) 13.582 3.878 ( 9.631 -9.577 0.000) 13.582 4.205 ( -6.037 1.260 0.000) 6.167 4.205 ( 6.037 1.260 0.000) 6.167 4.305 ( -7.607 -2.176 0.000) 7.912 4.305 ( 7.607 -2.176 0.000) 7.912 4.454 ( -0.695 -1.935 0.000) 2.056 4.454 ( 0.695 -1.935 0.000) 2.056 4.643 ( -25.424 8.676 0.000) 26.863 4.643 ( 25.424 8.676 0.000) 26.863 5.013 ( -1.642 9.765 0.000) 9.902 5.013 ( 1.642 9.765 0.000) 9.902 5.484 ( -11.633 1.703 0.000) 11.757 5.484 ( 11.633 1.703 0.000) 11.757 5.663 ( -19.016 4.666 0.000) 19.580 5.663 ( 19.016 4.666 0.000) 19.580 5.759 ( -6.286 14.300 0.000) 15.620 5.759 ( 6.286 14.300 0.000) 15.620 6.435 ( -9.102 -18.922 0.000) 20.998 6.435 ( 9.102 -18.922 0.000) 20.998 6.853 ( -13.369 -18.057 0.000) 22.467 6.853 ( 13.369 -18.057 0.000) 22.467 7.300 ( -10.442 6.403 0.000) 12.249 7.300 ( 10.442 6.403 0.000) 12.249 7.639 ( -4.288 -4.074 0.000) 5.915 7.639 ( 4.288 -4.074 0.000) 5.915 7.876 ( -3.954 -6.433 0.000) 7.551 7.876 ( 3.954 -6.433 0.000) 7.551 8.127 ( -5.766 -4.006 0.000) 7.021 8.127 ( 5.766 -4.006 0.000) 7.021 8.239 ( -2.665 -4.702 0.000) 5.405 8.239 ( 2.665 -4.702 0.000) 5.405 8.579 ( -0.663 13.339 0.000) 13.355 8.579 ( 0.663 13.339 0.000) 13.355 9.266 ( -2.015 16.197 0.000) 16.322 9.266 ( 2.015 16.197 0.000) 16.322 9.691 ( -6.957 -14.029 0.000) 15.659 9.691 ( 6.957 -14.029 0.000) 15.659 10.063 ( -1.432 -1.372 0.000) 1.984 10.063 ( 1.432 -1.372 0.000) 1.984 10.523 ( -11.673 -7.059 0.000) 13.642 10.523 ( 11.673 -7.059 0.000) 13.642 10.790 ( -2.352 -2.138 0.000) 3.178 10.790 ( 2.352 -2.138 0.000) 3.178 11.422 ( -13.928 20.573 0.000) 24.844 11.422 ( 13.928 20.573 0.000) 24.844 11.760 ( -2.351 -10.864 0.000) 11.116 11.760 ( 2.351 -10.864 0.000) 11.116 12.014 ( -7.146 -7.043 0.000) 10.033 12.014 ( 7.146 -7.043 0.000) 10.033 12.283 ( -5.224 0.660 0.000) 5.265 12.283 ( 5.224 0.660 0.000) 5.265 12.353 ( -1.511 -5.225 0.000) 5.439 12.353 ( 1.511 -5.225 0.000) 5.439 12.732 ( -5.289 4.216 0.000) 6.764 12.732 ( 5.289 4.216 0.000) 6.764 13.106 ( -0.135 10.521 0.000) 10.522 13.106 ( 0.135 10.521 0.000) 10.522 13.176 ( -3.905 15.356 0.000) 15.845 13.176 ( 3.905 15.356 0.000) 15.845 13.526 ( -0.249 11.573 0.000) 11.576 13.526 ( 0.249 11.573 0.000) 11.576 14.302 ( -10.578 -6.274 0.000) 12.299 14.302 ( 10.578 -6.274 0.000) 12.299 15.081 ( -5.390 -5.592 0.000) 7.766 15.081 ( 5.390 -5.592 0.000) 7.766 15.413 ( -6.616 5.452 0.000) 8.573 15.413 ( 6.616 5.452 0.000) 8.573 15.903 ( -7.330 -7.519 0.000) 10.501 15.903 ( 7.330 -7.519 0.000) 10.501 16.463 ( -0.483 -7.492 0.000) 7.508 16.463 ( 0.483 -7.492 0.000) 7.508 16.899 ( -2.467 7.073 0.000) 7.491 16.899 ( 2.467 7.073 0.000) 7.491 17.313 ( -5.028 0.854 0.000) 5.100 17.313 ( 5.028 0.854 0.000) 5.100 17.521 ( -4.907 0.710 0.000) 4.958 17.521 ( 4.907 0.710 0.000) 4.958 17.738 ( -0.498 -10.336 0.000) 10.348 17.738 ( 0.498 -10.336 0.000) 10.348 17.941 ( -0.211 -0.120 0.000) 0.243 17.941 ( 0.211 -0.120 0.000) 0.243 18.985 ( -3.942 -15.492 0.000) 15.985 18.985 ( 3.942 -15.492 0.000) 15.985 19.933 ( -18.162 4.436 0.000) 18.696 19.933 ( 18.162 4.436 0.000) 18.696 20.569 ( -14.151 3.013 0.000) 14.468 20.569 ( 14.151 3.013 0.000) 14.468 20.822 ( -6.504 17.646 0.000) 18.806 20.822 ( 6.504 17.646 0.000) 18.806 21.969 ( -8.491 -8.705 0.000) 12.160 21.969 ( 8.491 -8.705 0.000) 12.160 23.428 ( -13.555 17.346 0.000) 22.014 23.428 ( 13.555 17.346 0.000) 22.014 25.161 ( -2.160 -13.174 0.000) 13.350 25.161 ( 2.160 -13.174 0.000) 13.350 25.779 ( -5.647 4.716 0.000) 7.357 25.779 ( 5.647 4.716 0.000) 7.357 25.883 ( -8.437 12.849 0.000) 15.371 25.883 ( 8.437 12.849 0.000) 15.371 26.271 ( -6.440 -2.324 0.000) 6.846 26.271 ( 6.440 -2.324 0.000) 6.846 27.066 ( -9.346 -0.214 0.000) 9.349 27.066 ( 9.346 -0.214 0.000) 9.349 27.285 ( -1.959 -1.530 0.000) 2.485 27.285 ( 1.959 -1.530 0.000) 2.485 27.435 ( -1.741 3.980 0.000) 4.344 27.435 ( 1.741 3.980 0.000) 4.344 27.892 ( -4.558 -3.766 0.000) 5.912 27.892 ( 4.558 -3.766 0.000) 5.912 28.052 ( -3.401 5.566 0.000) 6.523 28.052 ( 3.401 5.566 0.000) 6.523 28.507 ( -8.097 -7.095 0.000) 10.765 28.507 ( 8.097 -7.095 0.000) 10.765 28.998 ( -1.253 0.944 0.000) 1.569 28.998 ( 1.253 0.944 0.000) 1.569 29.074 ( -3.100 -11.829 0.000) 12.229 29.074 ( 3.100 -11.829 0.000) 12.229 29.208 ( -2.834 -2.932 0.000) 4.078 29.208 ( 2.834 -2.932 0.000) 4.078 29.518 ( -6.412 -5.906 0.000) 8.717 29.518 ( 6.412 -5.906 0.000) 8.717 29.794 ( -0.303 -13.849 0.000) 13.852 29.794 ( 0.303 -13.849 0.000) 13.852 29.901 ( -2.090 0.055 0.000) 2.091 29.901 ( 2.090 0.055 0.000) 2.091 30.226 ( -4.001 -6.648 0.000) 7.759 30.226 ( 4.001 -6.648 0.000) 7.759 31.451 ( -1.245 16.774 0.000) 16.820 31.451 ( 1.245 16.774 0.000) 16.820 31.819 ( -16.853 8.752 0.000) 18.990 31.819 ( 16.853 8.752 0.000) 18.990 32.485 ( -5.780 1.051 0.000) 5.874 32.485 ( 5.780 1.051 0.000) 5.874 33.080 ( -5.773 -2.354 0.000) 6.234 33.080 ( 5.773 -2.354 0.000) 6.234 33.155 ( -2.944 -5.378 0.000) 6.131 33.155 ( 2.944 -5.378 0.000) 6.131 33.268 ( -1.767 0.140 0.000) 1.773 33.268 ( 1.767 0.140 0.000) 1.773 33.900 ( -7.078 16.544 0.000) 17.994 33.900 ( 7.078 16.544 0.000) 17.994 35.061 ( -13.570 -8.045 0.000) 15.775 35.061 ( 13.570 -8.045 0.000) 15.775 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 30.160 0.000) 30.160 1.851 ( 0.000 41.775 0.000) 41.775 2.364 ( 0.000 -7.168 0.000) 7.168 2.640 ( 0.000 10.736 0.000) 10.736 2.949 ( 0.000 -0.797 0.000) 0.797 3.025 ( 0.000 -11.792 0.000) 11.792 3.136 ( 0.000 -9.505 0.000) 9.505 3.204 ( 0.000 -13.455 0.000) 13.455 3.233 ( 0.000 12.339 0.000) 12.339 3.333 ( 0.000 3.539 0.000) 3.539 3.361 ( 0.000 47.961 0.000) 47.961 3.609 ( 0.000 -8.876 0.000) 8.876 3.663 ( 0.000 -3.938 0.000) 3.938 3.832 ( 0.000 -8.304 0.000) 8.304 3.836 ( 0.000 -16.210 0.000) 16.210 3.930 ( 0.000 2.911 0.000) 2.911 4.029 ( 0.000 17.094 0.000) 17.094 4.296 ( 0.000 -11.876 0.000) 11.876 4.345 ( 0.000 -6.144 0.000) 6.144 4.366 ( 0.000 -8.729 0.000) 8.729 4.544 ( 0.000 1.517 0.000) 1.517 4.859 ( 0.000 -3.890 0.000) 3.890 5.100 ( 0.000 1.909 0.000) 1.909 5.115 ( 0.000 1.006 0.000) 1.006 5.532 ( 0.000 -6.525 0.000) 6.525 5.623 ( 0.000 12.059 0.000) 12.059 5.680 ( 0.000 -15.979 0.000) 15.979 5.852 ( 0.000 9.519 0.000) 9.519 6.110 ( 0.000 12.656 0.000) 12.656 6.151 ( 0.000 -0.892 0.000) 0.892 6.266 ( 0.000 23.687 0.000) 23.687 6.467 ( 0.000 -9.666 0.000) 9.666 6.741 ( 0.000 -3.969 0.000) 3.969 6.863 ( 0.000 -26.976 0.000) 26.976 6.876 ( 0.000 -1.103 0.000) 1.103 7.145 ( 0.000 5.856 0.000) 5.856 7.168 ( 0.000 -10.917 0.000) 10.917 7.364 ( 0.000 -9.019 0.000) 9.019 7.461 ( 0.000 0.417 0.000) 0.417 8.081 ( 0.000 3.519 0.000) 3.519 8.195 ( 0.000 -27.247 0.000) 27.247 8.347 ( 0.000 -10.390 0.000) 10.390 8.849 ( 0.000 5.169 0.000) 5.169 8.873 ( 0.000 -7.882 0.000) 7.882 9.018 ( 0.000 -8.320 0.000) 8.320 9.029 ( 0.000 1.355 0.000) 1.355 9.064 ( 0.000 -3.168 0.000) 3.168 9.217 ( 0.000 0.647 0.000) 0.647 9.532 ( 0.000 21.443 0.000) 21.443 9.823 ( 0.000 29.914 0.000) 29.914 9.826 ( 0.000 13.437 0.000) 13.437 9.916 ( 0.000 7.981 0.000) 7.981 10.108 ( 0.000 15.025 0.000) 15.025 10.425 ( 0.000 -14.681 0.000) 14.681 10.755 ( 0.000 -14.975 0.000) 14.975 10.756 ( 0.000 -1.085 0.000) 1.085 11.128 ( 0.000 -28.421 0.000) 28.421 11.148 ( 0.000 -16.452 0.000) 16.452 11.302 ( 0.000 16.613 0.000) 16.613 11.594 ( 0.000 -1.501 0.000) 1.501 11.598 ( 0.000 3.790 0.000) 3.790 11.842 ( 0.000 -9.161 0.000) 9.161 12.203 ( 0.000 7.064 0.000) 7.064 12.308 ( 0.000 -1.158 0.000) 1.158 12.421 ( 0.000 -1.048 0.000) 1.048 12.424 ( 0.000 1.870 0.000) 1.870 12.970 ( 0.000 4.053 0.000) 4.053 13.068 ( 0.000 0.444 0.000) 0.444 13.103 ( 0.000 4.251 0.000) 4.251 13.338 ( 0.000 -3.207 0.000) 3.207 13.481 ( 0.000 11.417 0.000) 11.417 13.636 ( 0.000 12.786 0.000) 12.786 13.969 ( 0.000 14.997 0.000) 14.997 14.090 ( 0.000 20.381 0.000) 20.381 14.218 ( 0.000 17.121 0.000) 17.121 14.506 ( 0.000 -10.669 0.000) 10.669 14.977 ( 0.000 1.758 0.000) 1.758 15.234 ( 0.000 -4.041 0.000) 4.041 15.262 ( 0.000 -6.551 0.000) 6.551 15.488 ( 0.000 -14.375 0.000) 14.375 15.992 ( 0.000 3.496 0.000) 3.496 16.061 ( 0.000 -8.759 0.000) 8.759 16.212 ( 0.000 4.711 0.000) 4.711 16.385 ( 0.000 0.734 0.000) 0.734 16.946 ( 0.000 -12.294 0.000) 12.294 17.024 ( 0.000 -0.619 0.000) 0.619 17.030 ( 0.000 -1.443 0.000) 1.443 17.309 ( 0.000 -5.079 0.000) 5.079 17.366 ( 0.000 -15.127 0.000) 15.127 17.496 ( 0.000 -10.381 0.000) 10.381 17.540 ( 0.000 7.616 0.000) 7.616 17.647 ( 0.000 5.311 0.000) 5.311 17.875 ( 0.000 -0.740 0.000) 0.740 18.315 ( 0.000 -20.735 0.000) 20.735 18.353 ( 0.000 10.913 0.000) 10.913 18.726 ( 0.000 -2.752 0.000) 2.752 19.499 ( 0.000 11.176 0.000) 11.176 20.092 ( 0.000 -11.922 0.000) 11.922 20.935 ( 0.000 -4.831 0.000) 4.831 21.000 ( 0.000 27.939 0.000) 27.939 21.088 ( 0.000 -9.942 0.000) 9.942 21.328 ( 0.000 11.543 0.000) 11.543 21.405 ( 0.000 9.078 0.000) 9.078 22.026 ( 0.000 -15.666 0.000) 15.666 23.637 ( 0.000 32.406 0.000) 32.406 24.079 ( 0.000 9.850 0.000) 9.850 24.754 ( 0.000 -18.003 0.000) 18.003 24.830 ( 0.000 -20.996 0.000) 20.996 25.640 ( 0.000 12.043 0.000) 12.043 25.854 ( 0.000 16.124 0.000) 16.124 25.917 ( 0.000 -4.673 0.000) 4.673 26.015 ( 0.000 6.471 0.000) 6.471 26.270 ( 0.000 -5.441 0.000) 5.441 26.877 ( 0.000 -23.774 0.000) 23.774 26.915 ( 0.000 7.966 0.000) 7.966 27.024 ( 0.000 13.310 0.000) 13.310 27.183 ( 0.000 -3.072 0.000) 3.072 27.321 ( 0.000 3.024 0.000) 3.024 27.464 ( 0.000 -3.357 0.000) 3.357 27.497 ( 0.000 0.296 0.000) 0.296 27.732 ( 0.000 -6.358 0.000) 6.358 27.815 ( 0.000 -2.454 0.000) 2.454 28.065 ( 0.000 13.729 0.000) 13.729 28.219 ( 0.000 -2.760 0.000) 2.760 28.300 ( 0.000 7.183 0.000) 7.183 28.301 ( 0.000 -7.358 0.000) 7.358 28.555 ( 0.000 -4.058 0.000) 4.058 28.629 ( 0.000 13.843 0.000) 13.843 28.730 ( 0.000 -13.821 0.000) 13.821 29.088 ( 0.000 3.192 0.000) 3.192 29.126 ( 0.000 -0.269 0.000) 0.269 29.135 ( 0.000 3.130 0.000) 3.130 29.346 ( 0.000 -2.741 0.000) 2.741 29.523 ( 0.000 -7.299 0.000) 7.299 29.538 ( 0.000 -18.537 0.000) 18.537 29.598 ( 0.000 5.213 0.000) 5.213 29.617 ( 0.000 -12.302 0.000) 12.302 29.882 ( 0.000 -6.480 0.000) 6.480 30.105 ( 0.000 -1.230 0.000) 1.230 30.186 ( 0.000 -5.064 0.000) 5.064 31.466 ( 0.000 18.822 0.000) 18.822 31.862 ( 0.000 6.638 0.000) 6.638 32.139 ( 0.000 -5.689 0.000) 5.689 32.170 ( 0.000 -5.359 0.000) 5.359 32.536 ( 0.000 3.142 0.000) 3.142 32.697 ( 0.000 1.996 0.000) 1.996 32.699 ( 0.000 -4.783 0.000) 4.783 33.136 ( 0.000 -8.752 0.000) 8.752 33.254 ( 0.000 4.747 0.000) 4.747 33.504 ( 0.000 -2.089 0.000) 2.089 33.540 ( 0.000 15.473 0.000) 15.473 33.704 ( 0.000 7.717 0.000) 7.717 33.764 ( 0.000 5.698 0.000) 5.698 34.237 ( 0.000 -13.967 0.000) 13.967 34.591 ( 0.000 18.155 0.000) 18.155 35.246 ( 0.000 -11.348 0.000) 11.348 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 9.815 31.831 0.000) 33.310 1.980 ( 11.477 35.401 0.000) 37.215 2.597 ( 16.768 -5.088 0.000) 17.523 2.830 ( 19.775 3.312 0.000) 20.050 2.899 ( -7.634 1.088 0.000) 7.711 2.972 ( -3.183 -4.557 0.000) 5.559 3.048 ( -6.830 -6.863 0.000) 9.682 3.162 ( -4.372 -3.376 0.000) 5.524 3.260 ( 3.584 0.288 0.000) 3.595 3.346 ( 0.825 -5.934 0.000) 5.991 3.392 ( 4.890 45.243 0.000) 45.507 3.550 ( -6.146 -9.161 0.000) 11.031 3.599 ( -8.164 -15.894 0.000) 17.868 3.737 ( -0.504 -9.620 0.000) 9.633 3.836 ( 2.555 -10.857 0.000) 11.154 3.852 ( -3.719 3.285 0.000) 4.962 4.140 ( 5.686 9.481 0.000) 11.055 4.295 ( 2.940 -0.354 0.000) 2.961 4.328 ( 0.648 -0.013 0.000) 0.648 4.501 ( -1.753 -2.111 0.000) 2.744 4.557 ( 9.029 -8.003 0.000) 12.065 4.963 ( 8.310 1.034 0.000) 8.374 5.179 ( 6.329 1.230 0.000) 6.447 5.182 ( 4.114 -0.271 0.000) 4.123 5.440 ( -9.731 1.441 0.000) 9.837 5.532 ( -5.938 16.560 0.000) 17.592 5.764 ( 6.839 -16.185 0.000) 17.571 5.796 ( -1.357 0.251 0.000) 1.380 6.059 ( -9.378 -2.317 0.000) 9.660 6.193 ( 4.303 12.553 0.000) 13.270 6.299 ( 2.507 24.844 0.000) 24.970 6.437 ( -15.066 6.733 0.000) 16.502 6.555 ( 3.848 -12.593 0.000) 13.168 6.737 ( -10.393 -24.582 0.000) 26.689 6.952 ( 2.977 -12.932 0.000) 13.270 7.236 ( 3.985 -4.242 0.000) 5.820 7.259 ( 9.464 -0.096 0.000) 9.465 7.430 ( -1.971 -1.875 0.000) 2.720 7.493 ( 10.435 -11.057 0.000) 15.204 7.962 ( -8.679 -6.787 0.000) 11.018 8.192 ( -6.138 -23.738 0.000) 24.519 8.309 ( -4.362 -7.939 0.000) 9.058 8.686 ( -1.460 10.258 0.000) 10.361 8.734 ( -22.724 8.012 0.000) 24.096 8.779 ( -13.363 3.596 0.000) 13.838 8.953 ( -0.462 0.617 0.000) 0.770 9.282 ( 12.118 -14.169 0.000) 18.644 9.300 ( 4.751 -2.296 0.000) 5.276 9.631 ( 5.318 15.640 0.000) 16.520 9.765 ( -3.791 22.384 0.000) 22.702 9.837 ( 0.002 10.922 0.000) 10.922 10.006 ( 5.283 9.643 0.000) 10.995 10.205 ( 9.712 14.485 0.000) 17.440 10.486 ( 5.776 -13.636 0.000) 14.809 10.716 ( -5.839 -5.241 0.000) 7.846 10.753 ( -0.377 -10.443 0.000) 10.449 10.996 ( 3.355 -14.993 0.000) 15.364 11.355 ( 5.084 13.670 0.000) 14.585 11.414 ( 12.106 -23.250 0.000) 26.213 11.463 ( -1.312 0.730 0.000) 1.501 11.766 ( 3.595 -3.991 0.000) 5.371 11.886 ( 3.778 -8.536 0.000) 9.335 12.216 ( -0.226 8.586 0.000) 8.589 12.326 ( 5.334 1.604 0.000) 5.570 12.446 ( 1.239 2.257 0.000) 2.575 12.486 ( 3.631 -2.069 0.000) 4.179 12.849 ( -10.751 3.195 0.000) 11.216 12.948 ( -9.693 1.228 0.000) 9.770 13.114 ( 1.436 6.444 0.000) 6.602 13.400 ( 5.904 -4.593 0.000) 7.480 13.471 ( -1.021 13.308 0.000) 13.347 13.637 ( 0.087 13.087 0.000) 13.087 13.917 ( -4.767 14.850 0.000) 15.596 14.015 ( -7.223 21.319 0.000) 22.509 14.230 ( 0.434 14.964 0.000) 14.971 14.456 ( -4.972 -10.982 0.000) 12.055 14.958 ( -1.491 1.262 0.000) 1.953 15.196 ( -5.505 -6.245 0.000) 8.325 15.260 ( 2.914 -3.399 0.000) 4.477 15.456 ( -2.615 -15.329 0.000) 15.550 15.923 ( -4.490 5.011 0.000) 6.728 16.127 ( -6.556 3.443 0.000) 7.405 16.129 ( 4.279 -7.861 0.000) 8.950 16.419 ( 0.858 -2.705 0.000) 2.837 16.910 ( -0.621 -6.593 0.000) 6.622 16.977 ( -3.205 1.614 0.000) 3.588 17.121 ( 5.908 -8.826 0.000) 10.620 17.317 ( 0.197 -5.180 0.000) 5.184 17.391 ( 1.324 -14.956 0.000) 15.014 17.536 ( 3.966 -8.324 0.000) 9.221 17.536 ( -0.540 11.450 0.000) 11.462 17.641 ( 0.214 4.342 0.000) 4.348 17.886 ( 0.759 -1.908 0.000) 2.054 18.264 ( -7.027 13.767 0.000) 15.457 18.364 ( 4.622 -20.489 0.000) 21.004 18.763 ( 1.587 -7.984 0.000) 8.140 19.563 ( 6.423 11.507 0.000) 13.178 20.133 ( 4.396 -9.815 0.000) 10.754 20.755 ( -14.004 0.704 0.000) 14.022 21.040 ( -6.753 -10.387 0.000) 12.389 21.060 ( 4.730 25.249 0.000) 25.688 21.320 ( -0.946 12.879 0.000) 12.913 21.490 ( 7.230 4.200 0.000) 8.362 21.999 ( -2.657 -14.409 0.000) 14.652 23.643 ( 1.207 31.166 0.000) 31.189 24.068 ( -1.556 11.623 0.000) 11.727 24.764 ( 0.845 -18.017 0.000) 18.037 24.827 ( -0.458 -21.996 0.000) 22.001 25.689 ( 4.184 9.314 0.000) 10.211 25.875 ( 2.791 10.125 0.000) 10.503 25.989 ( 6.369 4.185 0.000) 7.621 26.003 ( -1.227 6.346 0.000) 6.464 26.263 ( -0.836 -5.156 0.000) 5.223 26.805 ( -14.806 18.477 0.000) 23.677 26.912 ( 0.301 6.792 0.000) 6.798 26.924 ( 3.851 -21.519 0.000) 21.861 27.192 ( 0.611 -1.676 0.000) 1.784 27.321 ( 0.107 3.017 0.000) 3.019 27.472 ( 0.856 -3.684 0.000) 3.782 27.476 ( -1.001 -1.757 0.000) 2.022 27.848 ( 5.179 -8.712 0.000) 10.135 27.884 ( 5.546 -0.651 0.000) 5.584 28.037 ( -3.257 13.772 0.000) 14.152 28.177 ( -2.438 -1.719 0.000) 2.983 28.282 ( -1.228 7.443 0.000) 7.544 28.350 ( 8.640 -8.106 0.000) 11.847 28.560 ( -0.371 -4.670 0.000) 4.685 28.743 ( 1.252 -15.384 0.000) 15.434 28.887 ( 17.580 3.857 0.000) 17.998 29.056 ( -2.200 1.938 0.000) 2.932 29.113 ( -1.232 0.462 0.000) 1.316 29.131 ( -1.128 1.199 0.000) 1.646 29.330 ( -1.132 -2.419 0.000) 2.671 29.483 ( -2.495 -6.076 0.000) 6.568 29.535 ( -0.099 -8.944 0.000) 8.944 29.622 ( -0.161 -10.645 0.000) 10.646 29.683 ( 7.474 -4.978 0.000) 8.980 29.875 ( -0.545 -5.638 0.000) 5.665 30.074 ( -2.804 -0.389 0.000) 2.830 30.186 ( -0.429 -5.556 0.000) 5.572 31.541 ( 7.239 17.895 0.000) 19.304 31.826 ( -2.814 8.905 0.000) 9.339 32.119 ( -2.891 1.527 0.000) 3.269 32.174 ( 0.280 -5.127 0.000) 5.135 32.537 ( -0.467 3.947 0.000) 3.974 32.618 ( -5.936 -0.068 0.000) 5.937 32.723 ( 2.509 -5.663 0.000) 6.194 33.056 ( -6.592 -8.697 0.000) 10.913 33.207 ( -2.774 7.193 0.000) 7.710 33.364 ( -10.556 10.246 0.000) 14.711 33.472 ( -3.752 -2.473 0.000) 4.494 33.624 ( -9.710 1.766 0.000) 9.869 33.890 ( 10.400 12.180 0.000) 16.017 34.368 ( 10.476 -11.045 0.000) 15.222 34.534 ( -5.096 18.159 0.000) 18.861 35.208 ( -4.286 -13.066 0.000) 13.751 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 4.936 25.265 0.000) 25.742 2.227 ( 8.811 18.442 0.000) 20.439 2.569 ( -18.767 0.057 0.000) 18.767 2.724 ( -5.159 -6.481 0.000) 8.284 2.955 ( -2.244 0.241 0.000) 2.257 2.960 ( 0.670 8.457 0.000) 8.484 3.099 ( 0.756 5.064 0.000) 5.120 3.244 ( 9.595 -4.744 0.000) 10.704 3.357 ( -4.364 -1.389 0.000) 4.580 3.369 ( 0.991 -9.512 0.000) 9.563 3.450 ( 11.867 -8.960 0.000) 14.870 3.518 ( -0.415 -16.119 0.000) 16.124 3.607 ( 7.762 22.500 0.000) 23.801 3.752 ( 0.835 -4.765 0.000) 4.837 3.914 ( 14.143 3.402 0.000) 14.547 3.973 ( 9.900 -8.736 0.000) 13.203 4.229 ( 7.027 -2.821 0.000) 7.572 4.329 ( -0.780 3.023 0.000) 3.122 4.375 ( -1.278 -0.567 0.000) 1.398 4.517 ( 7.077 8.706 0.000) 11.220 4.638 ( -2.330 -3.194 0.000) 3.953 5.120 ( 3.811 -4.468 0.000) 5.872 5.210 ( -9.534 7.673 0.000) 12.238 5.271 ( -1.434 5.192 0.000) 5.386 5.310 ( 11.593 11.425 0.000) 16.277 5.500 ( 5.304 14.029 0.000) 14.998 5.660 ( -15.953 -1.153 0.000) 15.995 5.905 ( 1.509 -13.972 0.000) 14.053 5.908 ( 6.606 -13.932 0.000) 15.419 6.181 ( -4.182 13.954 0.000) 14.567 6.261 ( -7.712 5.572 0.000) 9.514 6.300 ( -5.201 27.486 0.000) 27.974 6.533 ( -6.264 -28.897 0.000) 29.568 6.538 ( -4.879 -5.953 0.000) 7.697 7.088 ( 10.922 -18.351 0.000) 21.355 7.325 ( 4.758 -2.274 0.000) 5.274 7.412 ( 0.143 -3.916 0.000) 3.919 7.488 ( 12.256 -3.484 0.000) 12.742 7.686 ( 7.381 -12.822 0.000) 14.795 7.688 ( -17.030 -17.053 0.000) 24.100 8.072 ( -2.679 -5.370 0.000) 6.001 8.192 ( -6.290 -6.460 0.000) 9.017 8.271 ( -19.826 8.198 0.000) 21.454 8.420 ( -17.911 -2.212 0.000) 18.047 8.786 ( 7.394 14.884 0.000) 16.619 8.981 ( 0.131 11.864 0.000) 11.864 9.376 ( 3.090 -3.710 0.000) 4.828 9.437 ( 3.359 -12.695 0.000) 13.132 9.685 ( -3.511 18.281 0.000) 18.615 9.691 ( -0.647 15.264 0.000) 15.278 9.857 ( 4.219 1.283 0.000) 4.410 10.060 ( -0.854 1.424 0.000) 1.661 10.432 ( 10.059 11.223 0.000) 15.071 10.568 ( -0.617 -5.241 0.000) 5.277 10.672 ( 4.822 -4.633 0.000) 6.687 10.746 ( 0.143 -3.180 0.000) 3.183 11.191 ( 12.830 -12.483 0.000) 17.901 11.492 ( 7.035 6.743 0.000) 9.745 11.531 ( 5.424 -3.794 0.000) 6.619 11.615 ( 7.659 -20.368 0.000) 21.761 11.754 ( -0.035 -6.335 0.000) 6.335 11.973 ( 3.742 -9.738 0.000) 10.433 12.108 ( -11.024 9.055 0.000) 14.266 12.407 ( -8.743 -2.918 0.000) 9.217 12.467 ( 2.884 1.884 0.000) 3.445 12.570 ( -11.165 7.817 0.000) 13.630 12.579 ( 8.918 -0.118 0.000) 8.918 12.828 ( -2.259 0.655 0.000) 2.352 13.185 ( 6.077 9.323 0.000) 11.129 13.439 ( -2.237 16.158 0.000) 16.312 13.546 ( 6.692 -3.080 0.000) 7.367 13.620 ( -2.921 14.610 0.000) 14.899 13.823 ( -2.476 14.159 0.000) 14.373 13.837 ( -7.980 22.364 0.000) 23.745 14.210 ( -2.359 8.732 0.000) 9.045 14.312 ( -8.385 -10.507 0.000) 13.442 14.940 ( 0.232 0.497 0.000) 0.549 15.076 ( -5.723 -4.798 0.000) 7.468 15.344 ( 4.571 -4.322 0.000) 6.291 15.420 ( -0.327 -15.118 0.000) 15.121 15.840 ( -2.964 8.708 0.000) 9.199 15.976 ( -7.854 2.494 0.000) 8.240 16.212 ( 3.916 -8.690 0.000) 9.531 16.380 ( -4.024 -7.331 0.000) 8.362 16.931 ( 2.081 -4.664 0.000) 5.107 16.954 ( 0.687 3.606 0.000) 3.671 17.216 ( 3.318 -11.771 0.000) 12.229 17.304 ( -1.450 -5.443 0.000) 5.632 17.410 ( 0.960 -10.690 0.000) 10.733 17.499 ( -2.797 9.140 0.000) 9.558 17.638 ( 4.963 -5.988 0.000) 7.777 17.681 ( 3.134 8.332 0.000) 8.902 17.901 ( 1.123 -2.161 0.000) 2.436 18.109 ( -7.764 13.805 0.000) 15.839 18.488 ( 7.044 -19.462 0.000) 20.698 18.743 ( -3.604 -13.824 0.000) 14.286 19.763 ( 12.990 11.172 0.000) 17.134 20.282 ( 10.225 -7.544 0.000) 12.707 20.429 ( -17.337 5.905 0.000) 18.315 20.825 ( -13.389 -8.423 0.000) 15.818 21.155 ( 4.263 22.249 0.000) 22.653 21.288 ( -2.231 16.175 0.000) 16.328 21.651 ( 7.884 -2.653 0.000) 8.319 21.921 ( -4.981 -11.538 0.000) 12.567 23.711 ( 5.545 27.345 0.000) 27.902 23.998 ( -5.531 16.316 0.000) 17.228 24.781 ( 0.750 -18.714 0.000) 18.729 24.812 ( -0.865 -22.293 0.000) 22.310 25.784 ( 4.930 6.009 0.000) 7.773 25.962 ( -2.905 6.028 0.000) 6.692 25.972 ( 6.282 4.123 0.000) 7.514 26.153 ( 9.155 12.639 0.000) 15.606 26.221 ( -3.758 -3.841 0.000) 5.373 26.540 ( -11.038 18.292 0.000) 21.364 26.942 ( 2.339 1.238 0.000) 2.646 26.991 ( 1.829 -15.554 0.000) 15.661 27.225 ( 3.399 1.580 0.000) 3.749 27.325 ( 0.147 3.146 0.000) 3.149 27.477 ( 0.653 -0.452 0.000) 0.794 27.499 ( 1.451 -3.771 0.000) 4.040 27.867 ( -1.210 -3.555 0.000) 3.755 27.926 ( -6.641 10.876 0.000) 12.743 28.052 ( 9.599 -3.159 0.000) 10.105 28.167 ( 2.150 -1.154 0.000) 2.440 28.262 ( -1.125 8.908 0.000) 8.979 28.492 ( -7.030 -9.119 0.000) 11.514 28.577 ( 10.831 -14.685 0.000) 18.247 28.772 ( 0.885 -16.716 0.000) 16.739 29.017 ( -1.217 0.961 0.000) 1.550 29.070 ( -2.119 1.533 0.000) 2.615 29.103 ( -0.450 -2.302 0.000) 2.346 29.143 ( 3.559 -3.692 0.000) 5.128 29.352 ( 5.045 -0.530 0.000) 5.073 29.455 ( -0.306 -2.905 0.000) 2.921 29.538 ( 0.671 -6.585 0.000) 6.620 29.605 ( -1.395 -8.690 0.000) 8.801 29.843 ( 4.096 -5.189 0.000) 6.611 29.892 ( 5.935 -6.238 0.000) 8.611 29.996 ( -4.677 0.800 0.000) 4.745 30.153 ( -3.051 -6.706 0.000) 7.368 31.746 ( 11.994 15.280 0.000) 19.425 31.786 ( -0.309 13.522 0.000) 13.526 31.996 ( -7.892 15.377 0.000) 17.284 32.162 ( -2.565 -1.068 0.000) 2.779 32.505 ( -1.906 5.217 0.000) 5.554 32.549 ( -1.003 -4.136 0.000) 4.256 32.789 ( 3.108 -9.389 0.000) 9.890 32.906 ( -6.924 -11.089 0.000) 13.074 33.187 ( 0.930 4.790 0.000) 4.879 33.203 ( -4.052 5.781 0.000) 7.059 33.357 ( -6.816 -1.155 0.000) 6.914 33.417 ( -9.683 -1.102 0.000) 9.746 34.090 ( 8.960 14.745 0.000) 17.254 34.407 ( -6.999 17.611 0.000) 18.951 34.603 ( 12.043 -10.275 0.000) 15.831 35.066 ( -9.338 -13.391 0.000) 16.325 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -15.025 10.558 0.000) 18.364 2.063 ( 15.025 10.558 0.000) 18.364 2.546 ( -9.516 -1.682 0.000) 9.664 2.546 ( 9.516 -1.682 0.000) 9.664 2.953 ( -0.964 9.603 0.000) 9.652 2.953 ( 0.965 9.603 0.000) 9.652 3.187 ( -6.544 3.741 0.000) 7.538 3.187 ( 6.544 3.741 0.000) 7.538 3.366 ( -1.436 -8.721 0.000) 8.838 3.366 ( 1.436 -8.721 0.000) 8.838 3.535 ( -1.447 -9.140 0.000) 9.254 3.535 ( 1.447 -9.140 0.000) 9.254 3.738 ( -3.462 3.761 0.000) 5.112 3.738 ( 3.462 3.761 0.000) 5.112 4.178 ( -2.127 -3.203 0.000) 3.845 4.178 ( 2.127 -3.203 0.000) 3.845 4.248 ( -1.201 -1.691 0.000) 2.074 4.248 ( 1.201 -1.691 0.000) 2.074 4.461 ( -12.644 -0.689 0.000) 12.663 4.461 ( 12.644 -0.689 0.000) 12.663 4.900 ( -24.671 13.458 0.000) 28.103 4.900 ( 24.671 13.458 0.000) 28.103 5.160 ( -2.431 2.784 0.000) 3.696 5.160 ( 2.431 2.784 0.000) 3.696 5.461 ( -4.724 1.229 0.000) 4.881 5.461 ( 4.724 1.229 0.000) 4.881 5.871 ( -24.163 11.448 0.000) 26.738 5.871 ( 24.163 11.448 0.000) 26.738 5.991 ( -0.403 -19.616 0.000) 19.621 5.991 ( 0.403 -19.616 0.000) 19.621 6.148 ( -3.397 15.055 0.000) 15.433 6.148 ( 3.397 15.055 0.000) 15.433 6.495 ( -0.167 -9.141 0.000) 9.142 6.495 ( 0.167 -9.141 0.000) 9.142 7.355 ( -14.852 -16.110 0.000) 21.911 7.355 ( 14.852 -16.110 0.000) 21.911 7.402 ( -2.030 -3.934 0.000) 4.427 7.402 ( 2.030 -3.934 0.000) 4.427 7.714 ( -7.241 -9.227 0.000) 11.729 7.714 ( 7.241 -9.227 0.000) 11.729 8.044 ( -0.648 -0.004 0.000) 0.648 8.044 ( 0.648 -0.004 0.000) 0.648 8.158 ( -6.226 -2.530 0.000) 6.721 8.158 ( 6.226 -2.530 0.000) 6.721 8.924 ( -5.437 16.856 0.000) 17.711 8.924 ( 5.437 16.856 0.000) 17.711 9.438 ( -2.481 -9.310 0.000) 9.635 9.438 ( 2.481 -9.310 0.000) 9.635 9.655 ( -0.961 17.469 0.000) 17.495 9.655 ( 0.961 17.469 0.000) 17.495 9.979 ( -6.093 -4.145 0.000) 7.370 9.979 ( 6.093 -4.145 0.000) 7.370 10.551 ( -1.874 6.003 0.000) 6.289 10.551 ( 1.874 6.003 0.000) 6.289 10.748 ( -1.195 -2.090 0.000) 2.408 10.748 ( 1.195 -2.090 0.000) 2.408 11.435 ( -9.688 -11.375 0.000) 14.942 11.435 ( 9.688 -11.375 0.000) 14.942 11.683 ( -4.295 -6.858 0.000) 8.092 11.683 ( 4.295 -6.858 0.000) 8.092 11.871 ( -8.585 0.164 0.000) 8.587 11.871 ( 8.585 0.164 0.000) 8.587 12.103 ( -13.256 -8.017 0.000) 15.491 12.103 ( 13.256 -8.017 0.000) 15.491 12.489 ( -1.237 9.077 0.000) 9.161 12.489 ( 1.237 9.077 0.000) 9.161 12.758 ( -6.181 -1.737 0.000) 6.421 12.758 ( 6.181 -1.737 0.000) 6.421 13.344 ( -7.839 12.309 0.000) 14.593 13.344 ( 7.839 12.309 0.000) 14.593 13.575 ( -1.148 15.878 0.000) 15.920 13.575 ( 1.148 15.878 0.000) 15.920 13.801 ( -1.936 11.979 0.000) 12.135 13.801 ( 1.936 11.979 0.000) 12.135 14.185 ( -2.109 -2.776 0.000) 3.486 14.185 ( 2.109 -2.776 0.000) 3.486 14.978 ( -3.556 -1.912 0.000) 4.037 14.978 ( 3.556 -1.912 0.000) 4.037 15.413 ( -1.636 -9.777 0.000) 9.913 15.413 ( 1.636 -9.777 0.000) 9.913 15.843 ( -3.914 6.284 0.000) 7.403 15.843 ( 3.914 6.284 0.000) 7.403 16.293 ( -4.141 -8.758 0.000) 9.688 16.293 ( 4.141 -8.758 0.000) 9.688 16.964 ( -0.552 -0.951 0.000) 1.100 16.964 ( 0.552 -0.951 0.000) 1.100 17.267 ( -2.016 -8.120 0.000) 8.366 17.267 ( 2.016 -8.120 0.000) 8.366 17.443 ( -2.319 -1.106 0.000) 2.569 17.443 ( 2.319 -1.106 0.000) 2.569 17.709 ( -1.351 1.334 0.000) 1.899 17.709 ( 1.351 1.334 0.000) 1.899 17.966 ( -5.661 7.187 0.000) 9.149 17.966 ( 5.661 7.187 0.000) 9.149 18.633 ( -6.745 -17.352 0.000) 18.617 18.633 ( 6.745 -17.352 0.000) 18.617 20.074 ( -16.963 9.297 0.000) 19.344 20.074 ( 16.963 9.297 0.000) 19.344 20.536 ( -14.100 -7.143 0.000) 15.806 20.536 ( 14.100 -7.143 0.000) 15.806 21.231 ( -3.268 19.502 0.000) 19.774 21.231 ( 3.268 19.502 0.000) 19.774 21.800 ( -6.723 -7.704 0.000) 10.225 21.800 ( 6.723 -7.704 0.000) 10.225 23.854 ( -7.854 21.997 0.000) 23.357 23.854 ( 7.854 21.997 0.000) 23.357 24.796 ( -0.708 -20.620 0.000) 20.632 24.796 ( 0.708 -20.620 0.000) 20.632 25.884 ( -4.630 5.621 0.000) 7.282 25.884 ( 4.630 5.621 0.000) 7.282 26.110 ( -6.690 -0.668 0.000) 6.724 26.110 ( 6.690 -0.668 0.000) 6.724 26.340 ( -9.125 16.164 0.000) 18.561 26.340 ( 9.125 16.164 0.000) 18.561 26.989 ( -1.746 -7.981 0.000) 8.170 26.989 ( 1.746 -7.981 0.000) 8.170 27.306 ( -2.850 3.781 0.000) 4.735 27.306 ( 2.850 3.781 0.000) 4.735 27.498 ( -1.461 0.092 0.000) 1.464 27.498 ( 1.461 0.092 0.000) 1.464 27.843 ( -0.396 1.725 0.000) 1.770 27.843 ( 0.396 1.725 0.000) 1.770 28.212 ( -4.357 8.987 0.000) 9.988 28.212 ( 4.357 8.987 0.000) 9.988 28.296 ( -10.560 -12.409 0.000) 16.294 28.296 ( 10.560 -12.409 0.000) 16.294 28.739 ( -4.738 -16.720 0.000) 17.379 28.739 ( 4.738 -16.720 0.000) 17.379 29.024 ( -1.808 1.225 0.000) 2.184 29.024 ( 1.808 1.225 0.000) 2.184 29.127 ( -2.247 -4.153 0.000) 4.722 29.127 ( 2.247 -4.153 0.000) 4.722 29.442 ( -1.955 -1.283 0.000) 2.338 29.442 ( 1.955 -1.283 0.000) 2.338 29.570 ( -2.046 -7.366 0.000) 7.645 29.570 ( 2.046 -7.366 0.000) 7.645 29.901 ( -3.994 0.058 0.000) 3.994 29.901 ( 3.994 0.058 0.000) 3.994 30.052 ( -6.917 -8.014 0.000) 10.587 30.052 ( 6.917 -8.014 0.000) 10.587 31.830 ( -4.365 17.588 0.000) 18.121 31.830 ( 4.365 17.588 0.000) 18.121 32.022 ( -10.606 8.916 0.000) 13.855 32.022 ( 10.606 8.916 0.000) 13.855 32.513 ( -2.512 1.344 0.000) 2.849 32.513 ( 2.512 1.344 0.000) 2.849 32.826 ( -1.262 -14.099 0.000) 14.156 32.826 ( 1.262 -14.099 0.000) 14.156 33.211 ( -2.761 2.899 0.000) 4.004 33.211 ( 2.761 2.899 0.000) 4.004 33.266 ( -3.357 -0.507 0.000) 3.395 33.266 ( 3.357 -0.507 0.000) 3.395 34.257 ( -7.665 16.509 0.000) 18.202 34.257 ( 7.665 16.509 0.000) 18.202 34.847 ( -11.680 -11.711 0.000) 16.540 34.847 ( 11.680 -11.711 0.000) 16.540 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 -18.873 0.000) 18.873 2.095 ( 0.000 18.873 0.000) 18.873 2.660 ( 0.000 -32.792 0.000) 32.792 2.660 ( 0.000 32.792 0.000) 32.792 2.795 ( 0.000 -8.791 0.000) 8.791 2.795 ( 0.000 8.791 0.000) 8.791 3.003 ( 0.000 -1.985 0.000) 1.985 3.003 ( 0.000 1.985 0.000) 1.985 3.415 ( 0.000 -8.990 0.000) 8.990 3.415 ( 0.000 8.990 0.000) 8.990 3.473 ( 0.000 -10.377 0.000) 10.377 3.473 ( 0.000 10.377 0.000) 10.377 3.690 ( 0.000 -3.541 0.000) 3.541 3.690 ( 0.000 3.541 0.000) 3.541 4.050 ( 0.000 -7.595 0.000) 7.595 4.050 ( 0.000 7.595 0.000) 7.595 4.240 ( 0.000 -2.889 0.000) 2.889 4.240 ( 0.000 2.889 0.000) 2.889 4.310 ( 0.000 -28.733 0.000) 28.733 4.310 ( 0.000 28.733 0.000) 28.733 4.576 ( 0.000 -18.646 0.000) 18.646 4.576 ( 0.000 18.646 0.000) 18.646 5.286 ( 0.000 -13.587 0.000) 13.587 5.286 ( 0.000 13.587 0.000) 13.587 5.306 ( 0.000 -15.562 0.000) 15.562 5.306 ( 0.000 15.562 0.000) 15.562 6.026 ( 0.000 -26.294 0.000) 26.294 6.026 ( 0.000 26.294 0.000) 26.294 6.046 ( 0.000 -7.469 0.000) 7.469 6.046 ( 0.000 7.469 0.000) 7.469 6.340 ( 0.000 -6.017 0.000) 6.017 6.340 ( 0.000 6.017 0.000) 6.017 6.713 ( 0.000 -4.424 0.000) 4.424 6.713 ( 0.000 4.424 0.000) 4.424 7.038 ( 0.000 -20.314 0.000) 20.314 7.038 ( 0.000 20.314 0.000) 20.314 7.202 ( 0.000 -6.822 0.000) 6.822 7.202 ( 0.000 6.822 0.000) 6.822 7.613 ( 0.000 -17.680 0.000) 17.680 7.613 ( 0.000 17.680 0.000) 17.680 8.185 ( 0.000 -5.759 0.000) 5.759 8.185 ( 0.000 5.759 0.000) 5.759 8.866 ( 0.000 -4.738 0.000) 4.738 8.866 ( 0.000 4.738 0.000) 4.738 8.909 ( 0.000 -3.648 0.000) 3.648 8.909 ( 0.000 3.648 0.000) 3.648 9.171 ( 0.000 -4.475 0.000) 4.475 9.171 ( 0.000 4.475 0.000) 4.475 9.921 ( 0.000 -8.164 0.000) 8.164 9.921 ( 0.000 8.164 0.000) 8.164 10.127 ( 0.000 -11.814 0.000) 11.814 10.127 ( 0.000 11.814 0.000) 11.814 10.410 ( 0.000 -15.772 0.000) 15.772 10.410 ( 0.000 15.772 0.000) 15.772 10.471 ( 0.000 -29.566 0.000) 29.566 10.471 ( 0.000 29.566 0.000) 29.566 10.869 ( 0.000 -8.466 0.000) 8.466 10.869 ( 0.000 8.466 0.000) 8.466 11.534 ( 0.000 -5.479 0.000) 5.479 11.534 ( 0.000 5.479 0.000) 5.479 11.684 ( 0.000 -5.625 0.000) 5.625 11.684 ( 0.000 5.625 0.000) 5.625 12.349 ( 0.000 -4.408 0.000) 4.408 12.349 ( 0.000 4.408 0.000) 4.408 12.367 ( 0.000 -6.753 0.000) 6.753 12.367 ( 0.000 6.753 0.000) 6.753 13.037 ( 0.000 -2.791 0.000) 2.791 13.037 ( 0.000 2.791 0.000) 2.791 13.227 ( 0.000 -6.506 0.000) 6.506 13.227 ( 0.000 6.506 0.000) 6.506 13.710 ( 0.000 -6.492 0.000) 6.492 13.710 ( 0.000 6.492 0.000) 6.492 14.267 ( 0.000 -12.525 0.000) 12.525 14.267 ( 0.000 12.525 0.000) 12.525 14.380 ( 0.000 -4.177 0.000) 4.177 14.380 ( 0.000 4.177 0.000) 4.177 15.081 ( 0.000 -8.252 0.000) 8.252 15.081 ( 0.000 8.252 0.000) 8.252 15.243 ( 0.000 -6.380 0.000) 6.380 15.243 ( 0.000 6.380 0.000) 6.380 16.000 ( 0.000 -1.351 0.000) 1.351 16.000 ( 0.000 1.351 0.000) 1.351 16.334 ( 0.000 -5.314 0.000) 5.314 16.334 ( 0.000 5.314 0.000) 5.314 16.878 ( 0.000 -5.855 0.000) 5.855 16.878 ( 0.000 5.855 0.000) 5.855 17.100 ( 0.000 -8.519 0.000) 8.519 17.100 ( 0.000 8.519 0.000) 8.519 17.316 ( 0.000 -5.435 0.000) 5.435 17.316 ( 0.000 5.435 0.000) 5.435 17.799 ( 0.000 -6.671 0.000) 6.671 17.799 ( 0.000 6.671 0.000) 6.671 17.870 ( 0.000 -20.147 0.000) 20.147 17.870 ( 0.000 20.147 0.000) 20.147 18.577 ( 0.000 -9.803 0.000) 9.803 18.577 ( 0.000 9.803 0.000) 9.803 19.799 ( 0.000 -15.296 0.000) 15.296 19.799 ( 0.000 15.296 0.000) 15.296 20.927 ( 0.000 -4.269 0.000) 4.269 20.927 ( 0.000 4.269 0.000) 4.269 21.485 ( 0.000 -2.073 0.000) 2.073 21.485 ( 0.000 2.073 0.000) 2.073 21.581 ( 0.000 -25.712 0.000) 25.712 21.581 ( 0.000 25.712 0.000) 25.712 24.294 ( 0.000 -29.107 0.000) 29.107 24.294 ( 0.000 29.107 0.000) 29.107 24.372 ( 0.000 -17.119 0.000) 17.119 24.372 ( 0.000 17.119 0.000) 17.119 25.806 ( 0.000 -5.908 0.000) 5.908 25.806 ( 0.000 5.908 0.000) 5.908 26.150 ( 0.000 -6.099 0.000) 6.099 26.150 ( 0.000 6.099 0.000) 6.099 26.339 ( 0.000 -26.246 0.000) 26.246 26.339 ( 0.000 26.246 0.000) 26.246 27.067 ( 0.000 -6.016 0.000) 6.016 27.067 ( 0.000 6.016 0.000) 6.016 27.337 ( 0.000 -13.313 0.000) 13.313 27.337 ( 0.000 13.313 0.000) 13.313 27.391 ( 0.000 -3.522 0.000) 3.522 27.391 ( 0.000 3.522 0.000) 3.522 27.733 ( 0.000 -4.549 0.000) 4.549 27.733 ( 0.000 4.549 0.000) 4.549 28.201 ( 0.000 -1.882 0.000) 1.882 28.201 ( 0.000 1.882 0.000) 1.882 28.387 ( 0.000 -15.714 0.000) 15.714 28.387 ( 0.000 15.714 0.000) 15.714 28.453 ( 0.000 -7.409 0.000) 7.409 28.453 ( 0.000 7.409 0.000) 7.409 28.965 ( 0.000 -15.740 0.000) 15.740 28.965 ( 0.000 15.740 0.000) 15.740 29.162 ( 0.000 -1.985 0.000) 1.985 29.162 ( 0.000 1.985 0.000) 1.985 29.313 ( 0.000 -1.293 0.000) 1.293 29.313 ( 0.000 1.293 0.000) 1.293 29.446 ( 0.000 -1.747 0.000) 1.747 29.446 ( 0.000 1.747 0.000) 1.747 29.731 ( 0.000 -7.180 0.000) 7.180 29.731 ( 0.000 7.180 0.000) 7.180 30.107 ( 0.000 -1.860 0.000) 1.860 30.107 ( 0.000 1.860 0.000) 1.860 31.862 ( 0.000 -17.768 0.000) 17.768 31.862 ( 0.000 17.768 0.000) 17.768 32.026 ( 0.000 -8.002 0.000) 8.002 32.026 ( 0.000 8.002 0.000) 8.002 32.607 ( 0.000 -3.746 0.000) 3.746 32.607 ( 0.000 3.746 0.000) 3.746 32.883 ( 0.000 -12.536 0.000) 12.536 32.883 ( 0.000 12.536 0.000) 12.536 33.406 ( 0.000 -6.905 0.000) 6.905 33.406 ( 0.000 6.905 0.000) 6.905 33.794 ( 0.000 -0.505 0.000) 0.505 33.794 ( 0.000 0.505 0.000) 0.505 33.913 ( 0.000 -15.314 0.000) 15.314 33.913 ( 0.000 15.314 0.000) 15.314 34.957 ( 0.000 -15.945 0.000) 15.945 34.957 ( 0.000 15.945 0.000) 15.945 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 13.852 -21.763 0.000) 25.797 2.321 ( 13.852 21.763 0.000) 25.797 2.672 ( -0.893 -26.909 0.000) 26.924 2.672 ( -0.893 26.909 0.000) 26.924 2.857 ( 9.077 -3.913 0.000) 9.884 2.857 ( 9.077 3.913 0.000) 9.884 3.028 ( 1.823 -5.513 0.000) 5.807 3.028 ( 1.823 5.513 0.000) 5.807 3.309 ( -10.864 -4.304 0.000) 11.685 3.309 ( -10.864 4.304 0.000) 11.685 3.361 ( -4.110 -7.926 0.000) 8.928 3.361 ( -4.110 7.926 0.000) 8.928 3.689 ( 2.702 -2.833 0.000) 3.914 3.689 ( 2.702 2.833 0.000) 3.914 3.980 ( -4.155 -6.820 0.000) 7.985 3.980 ( -4.155 6.820 0.000) 7.985 4.249 ( -3.482 -22.327 0.000) 22.597 4.249 ( -3.482 22.327 0.000) 22.597 4.387 ( 8.944 -7.240 0.000) 11.507 4.387 ( 8.944 7.240 0.000) 11.507 4.700 ( 8.260 -21.075 0.000) 22.636 4.700 ( 8.260 21.075 0.000) 22.636 5.301 ( 1.260 -9.547 0.000) 9.629 5.301 ( 1.260 9.547 0.000) 9.629 5.394 ( 7.698 -16.004 0.000) 17.760 5.394 ( 7.698 16.004 0.000) 17.760 5.946 ( -9.819 -9.011 0.000) 13.327 5.946 ( -9.819 9.011 0.000) 13.327 5.993 ( -2.856 -27.574 0.000) 27.722 5.993 ( -2.856 27.574 0.000) 27.722 6.383 ( 3.266 -4.794 0.000) 5.801 6.383 ( 3.266 4.794 0.000) 5.801 6.626 ( -5.093 -10.799 0.000) 11.940 6.626 ( -5.093 10.799 0.000) 11.940 7.045 ( -0.192 -25.962 0.000) 25.963 7.045 ( -0.192 25.962 0.000) 25.963 7.303 ( 7.337 -6.509 0.000) 9.808 7.303 ( 7.337 6.509 0.000) 9.808 7.527 ( -6.191 -14.496 0.000) 15.763 7.527 ( -6.191 14.496 0.000) 15.763 8.150 ( -2.867 -6.735 0.000) 7.320 8.150 ( -2.867 6.735 0.000) 7.320 8.770 ( -15.895 -2.796 0.000) 16.139 8.770 ( -15.895 2.796 0.000) 16.139 8.965 ( 8.030 -15.074 0.000) 17.080 8.965 ( 8.030 15.074 0.000) 17.080 9.145 ( 1.603 -10.625 0.000) 10.746 9.145 ( 1.603 10.625 0.000) 10.746 9.924 ( -0.348 -6.301 0.000) 6.310 9.924 ( -0.348 6.301 0.000) 6.310 10.117 ( -3.158 -9.946 0.000) 10.435 10.117 ( -3.158 9.946 0.000) 10.435 10.435 ( 1.028 -16.750 0.000) 16.782 10.435 ( 1.028 16.750 0.000) 16.782 10.492 ( 6.950 -13.347 0.000) 15.048 10.492 ( 6.950 13.347 0.000) 15.048 11.001 ( 10.111 -13.531 0.000) 16.891 11.001 ( 10.111 13.531 0.000) 16.891 11.483 ( -1.683 -1.104 0.000) 2.013 11.483 ( -1.683 1.104 0.000) 2.013 11.754 ( 3.277 -3.918 0.000) 5.108 11.754 ( 3.277 3.918 0.000) 5.108 12.390 ( 0.639 -6.810 0.000) 6.840 12.390 ( 0.639 6.810 0.000) 6.840 12.398 ( 4.834 -4.974 0.000) 6.936 12.398 ( 4.834 4.974 0.000) 6.936 12.919 ( -9.835 -3.471 0.000) 10.430 12.919 ( -9.835 3.471 0.000) 10.430 13.264 ( 3.885 -7.465 0.000) 8.416 13.264 ( 3.885 7.465 0.000) 8.416 13.721 ( 0.929 -6.486 0.000) 6.552 13.721 ( 0.929 6.486 0.000) 6.552 14.212 ( -5.098 -12.535 0.000) 13.532 14.212 ( -5.098 12.535 0.000) 13.532 14.340 ( -4.252 -6.747 0.000) 7.976 14.340 ( -4.252 6.747 0.000) 7.976 15.088 ( 0.887 -10.328 0.000) 10.366 15.088 ( 0.887 10.328 0.000) 10.366 15.188 ( -4.310 -7.263 0.000) 8.446 15.188 ( -4.310 7.263 0.000) 8.446 16.015 ( 1.119 -4.456 0.000) 4.595 16.015 ( 1.119 4.456 0.000) 4.595 16.279 ( -4.961 -9.117 0.000) 10.379 16.279 ( -4.961 9.117 0.000) 10.379 16.898 ( 1.953 -7.523 0.000) 7.772 16.898 ( 1.953 7.523 0.000) 7.772 17.096 ( -0.457 -9.841 0.000) 9.852 17.096 ( -0.457 9.841 0.000) 9.852 17.359 ( 3.993 -6.389 0.000) 7.535 17.359 ( 3.993 6.389 0.000) 7.535 17.769 ( -2.553 -6.354 0.000) 6.847 17.769 ( -2.553 6.354 0.000) 6.847 17.935 ( 5.685 -18.397 0.000) 19.256 17.935 ( 5.685 18.397 0.000) 19.256 18.542 ( -3.556 -12.358 0.000) 12.859 18.542 ( -3.556 12.358 0.000) 12.859 19.860 ( 6.023 -14.914 0.000) 16.085 19.860 ( 6.023 14.914 0.000) 16.085 20.836 ( -8.524 -7.366 0.000) 11.265 20.836 ( -8.524 7.366 0.000) 11.265 21.510 ( 2.077 -3.971 0.000) 4.481 21.510 ( 2.077 3.971 0.000) 4.481 21.591 ( 0.749 -23.595 0.000) 23.607 21.591 ( 0.749 23.595 0.000) 23.607 24.284 ( -0.621 -28.849 0.000) 28.855 24.284 ( -0.621 28.849 0.000) 28.855 24.380 ( 0.458 -17.462 0.000) 17.468 24.380 ( 0.458 17.462 0.000) 17.468 25.830 ( 2.459 -5.498 0.000) 6.022 25.830 ( 2.459 5.498 0.000) 6.022 26.139 ( -1.087 -6.366 0.000) 6.458 26.139 ( -1.087 6.366 0.000) 6.458 26.421 ( 7.221 -25.158 0.000) 26.173 26.421 ( 7.221 25.158 0.000) 26.173 27.012 ( -6.129 -2.326 0.000) 6.555 27.012 ( -6.129 2.326 0.000) 6.555 27.292 ( -0.302 -12.568 0.000) 12.572 27.292 ( -0.302 12.568 0.000) 12.572 27.393 ( 0.302 -3.680 0.000) 3.692 27.393 ( 0.302 3.680 0.000) 3.692 27.824 ( 5.382 -3.944 0.000) 6.672 27.824 ( 5.382 3.944 0.000) 6.672 28.210 ( 2.215 -4.789 0.000) 5.277 28.210 ( 2.215 4.789 0.000) 5.277 28.369 ( -3.754 -15.968 0.000) 16.403 28.369 ( -3.754 15.968 0.000) 16.403 28.446 ( 0.786 -6.881 0.000) 6.925 28.446 ( 0.786 6.881 0.000) 6.925 29.048 ( 5.641 -8.204 0.000) 9.956 29.048 ( 5.641 8.204 0.000) 9.956 29.116 ( -3.705 -2.860 0.000) 4.680 29.116 ( -3.705 2.860 0.000) 4.680 29.323 ( 1.709 -3.996 0.000) 4.346 29.323 ( 1.709 3.996 0.000) 4.346 29.457 ( 0.774 -4.030 0.000) 4.103 29.457 ( 0.774 4.030 0.000) 4.103 29.746 ( 1.583 -5.907 0.000) 6.115 29.746 ( 1.583 5.907 0.000) 6.115 30.094 ( -1.463 -2.616 0.000) 2.997 30.094 ( -1.463 2.616 0.000) 2.997 31.915 ( 4.971 -16.418 0.000) 17.154 31.915 ( 4.971 16.418 0.000) 17.154 32.025 ( 0.151 -8.980 0.000) 8.981 32.025 ( 0.151 8.980 0.000) 8.981 32.618 ( 0.824 -4.117 0.000) 4.198 32.618 ( 0.824 4.117 0.000) 4.198 32.804 ( -7.155 -13.282 0.000) 15.087 32.804 ( -7.155 13.282 0.000) 15.087 33.369 ( -3.265 -7.016 0.000) 7.739 33.369 ( -3.265 7.016 0.000) 7.739 33.567 ( -12.972 -7.189 0.000) 14.831 33.567 ( -12.972 7.189 0.000) 14.831 34.132 ( 12.394 -11.121 0.000) 16.652 34.132 ( 12.394 11.121 0.000) 16.652 34.901 ( -5.211 -16.201 0.000) 17.019 34.901 ( -5.211 16.201 0.000) 17.019 ======================= Grid point 25 (15/64) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -3.684 -22.579 0.000) 22.878 2.389 ( -3.684 22.579 0.000) 22.878 2.526 ( -11.612 -7.977 0.000) 14.088 2.526 ( -11.612 7.977 0.000) 14.088 3.087 ( 4.993 -14.139 0.000) 14.995 3.087 ( 4.993 14.139 0.000) 14.995 3.161 ( 12.572 -9.523 0.000) 15.772 3.161 ( 12.572 9.523 0.000) 15.772 3.237 ( 2.065 -7.483 0.000) 7.763 3.237 ( 2.065 7.483 0.000) 7.763 3.289 ( -2.927 -2.122 0.000) 3.616 3.289 ( -2.927 2.122 0.000) 3.616 3.796 ( 7.437 -6.963 0.000) 10.187 3.796 ( 7.437 6.963 0.000) 10.187 4.036 ( 11.950 -3.987 0.000) 12.597 4.036 ( 11.950 3.987 0.000) 12.597 4.156 ( -6.252 -15.670 0.000) 16.871 4.156 ( -6.252 15.670 0.000) 16.871 4.484 ( -0.402 -9.719 0.000) 9.727 4.484 ( -0.402 9.719 0.000) 9.727 4.873 ( 9.567 -17.329 0.000) 19.795 4.873 ( 9.567 17.329 0.000) 19.795 5.305 ( -2.689 -2.293 0.000) 3.534 5.305 ( -2.689 2.293 0.000) 3.534 5.571 ( 7.857 -14.193 0.000) 16.222 5.571 ( 7.857 14.193 0.000) 16.222 5.704 ( -10.768 -6.457 0.000) 12.555 5.704 ( -10.768 6.457 0.000) 12.555 5.942 ( -0.121 -24.465 0.000) 24.465 5.942 ( -0.121 24.465 0.000) 24.465 6.351 ( -8.527 -2.436 0.000) 8.868 6.351 ( -8.527 2.436 0.000) 8.868 6.639 ( 6.748 -16.675 0.000) 17.988 6.639 ( 6.748 16.675 0.000) 17.988 6.978 ( -6.786 -33.157 0.000) 33.845 6.978 ( -6.786 33.157 0.000) 33.845 7.440 ( 5.585 -9.473 0.000) 10.997 7.440 ( 5.585 9.473 0.000) 10.997 7.468 ( 1.146 -5.018 0.000) 5.147 7.468 ( 1.146 5.018 0.000) 5.147 8.088 ( -2.587 -4.312 0.000) 5.029 8.088 ( -2.587 4.313 0.000) 5.029 8.371 ( -19.272 -3.006 0.000) 19.505 8.371 ( -19.272 3.006 0.000) 19.505 9.130 ( 7.183 -16.168 0.000) 17.692 9.130 ( 7.183 16.168 0.000) 17.692 9.214 ( 3.219 -10.591 0.000) 11.069 9.214 ( 3.219 10.591 0.000) 11.069 9.903 ( -1.128 -3.398 0.000) 3.580 9.903 ( -1.128 3.398 0.000) 3.580 9.999 ( -6.358 -9.253 0.000) 11.227 9.999 ( -6.358 9.253 0.000) 11.227 10.549 ( 7.798 -5.192 0.000) 9.368 10.549 ( 7.798 5.192 0.000) 9.368 10.634 ( 5.467 -7.528 0.000) 9.304 10.634 ( 5.467 7.528 0.000) 9.304 11.216 ( 10.516 -14.110 0.000) 17.598 11.216 ( 10.516 14.110 0.000) 17.598 11.492 ( 0.715 -2.474 0.000) 2.575 11.492 ( 0.715 2.474 0.000) 2.575 11.788 ( 2.367 -6.681 0.000) 7.088 11.788 ( 2.367 6.681 0.000) 7.088 12.280 ( -12.818 -7.480 0.000) 14.840 12.280 ( -12.818 7.480 0.000) 14.840 12.531 ( 7.398 -3.598 0.000) 8.227 12.531 ( 7.398 3.598 0.000) 8.227 12.753 ( -4.867 -7.173 0.000) 8.668 12.753 ( -4.867 7.173 0.000) 8.668 13.392 ( 8.634 -9.647 0.000) 12.946 13.392 ( 8.634 9.647 0.000) 12.946 13.721 ( -2.253 -7.348 0.000) 7.686 13.721 ( -2.253 7.348 0.000) 7.686 14.093 ( -4.850 -11.260 0.000) 12.260 14.093 ( -4.850 11.260 0.000) 12.260 14.212 ( -7.468 -10.764 0.000) 13.101 14.212 ( -7.468 10.764 0.000) 13.101 15.111 ( 0.845 -14.017 0.000) 14.042 15.111 ( 0.845 14.017 0.000) 14.042 15.118 ( -1.791 -10.191 0.000) 10.347 15.118 ( -1.791 10.191 0.000) 10.347 16.036 ( 1.018 -8.943 0.000) 9.001 16.036 ( 1.018 8.943 0.000) 9.001 16.162 ( -5.692 -12.149 0.000) 13.416 16.162 ( -5.692 12.149 0.000) 13.416 16.954 ( 3.323 -8.622 0.000) 9.240 16.954 ( 3.323 8.622 0.000) 9.240 17.075 ( -1.796 -9.597 0.000) 9.764 17.075 ( -1.796 9.597 0.000) 9.764 17.465 ( 6.048 -8.588 0.000) 10.504 17.465 ( 6.048 8.588 0.000) 10.504 17.698 ( -4.439 -8.130 0.000) 9.263 17.698 ( -4.439 8.130 0.000) 9.263 18.083 ( 8.447 -18.094 0.000) 19.969 18.083 ( 8.447 18.094 0.000) 19.969 18.431 ( -7.155 -15.612 0.000) 17.174 18.431 ( -7.155 15.612 0.000) 17.174 20.041 ( 11.524 -13.838 0.000) 18.008 20.041 ( 11.524 13.838 0.000) 18.008 20.605 ( -13.568 -10.522 0.000) 17.170 20.605 ( -13.568 10.522 0.000) 17.170 21.554 ( 2.052 -8.281 0.000) 8.531 21.554 ( 2.052 8.281 0.000) 8.531 21.600 ( -0.026 -18.898 0.000) 18.898 21.600 ( -0.026 18.898 0.000) 18.898 24.288 ( 1.229 -26.825 0.000) 26.853 24.288 ( 1.229 26.825 0.000) 26.853 24.374 ( -1.304 -19.182 0.000) 19.227 24.374 ( -1.304 19.182 0.000) 19.227 25.905 ( 4.745 -5.470 0.000) 7.241 25.905 ( 4.745 5.470 0.000) 7.241 26.098 ( -3.148 -6.611 0.000) 7.322 26.098 ( -3.148 6.611 0.000) 7.322 26.586 ( 7.971 -22.003 0.000) 23.402 26.586 ( 7.971 22.003 0.000) 23.402 26.859 ( -7.398 -9.797 0.000) 12.276 26.859 ( -7.398 9.797 0.000) 12.276 27.355 ( 4.737 -9.312 0.000) 10.447 27.355 ( 4.737 9.312 0.000) 10.447 27.407 ( 1.001 -4.405 0.000) 4.517 27.407 ( 1.001 4.405 0.000) 4.517 27.895 ( 2.855 -6.182 0.000) 6.810 27.895 ( 2.855 6.182 0.000) 6.810 28.219 ( -10.030 -15.479 0.000) 18.445 28.219 ( -10.030 15.479 0.000) 18.445 28.314 ( 6.910 -10.391 0.000) 12.479 28.314 ( 6.910 10.391 0.000) 12.479 28.473 ( 0.602 -11.263 0.000) 11.279 28.473 ( 0.602 11.263 0.000) 11.279 29.053 ( -1.711 -2.322 0.000) 2.885 29.053 ( -1.711 2.322 0.000) 2.885 29.096 ( -0.977 -1.198 0.000) 1.546 29.096 ( -0.977 1.198 0.000) 1.546 29.401 ( 4.662 -5.438 0.000) 7.163 29.401 ( 4.662 5.438 0.000) 7.163 29.468 ( 0.281 -3.878 0.000) 3.888 29.468 ( 0.281 3.878 0.000) 3.888 29.809 ( 4.853 -2.075 0.000) 5.278 29.809 ( 4.853 2.075 0.000) 5.278 30.039 ( -4.033 -3.658 0.000) 5.445 30.039 ( -4.033 3.658 0.000) 5.445 32.040 ( 6.141 -10.386 0.000) 12.066 32.040 ( 6.141 10.386 0.000) 12.066 32.048 ( 2.305 -9.895 0.000) 10.160 32.048 ( 2.305 9.895 0.000) 10.160 32.620 ( -1.154 -6.231 0.000) 6.337 32.620 ( -1.154 6.231 0.000) 6.337 32.639 ( -7.297 -12.517 0.000) 14.489 32.639 ( -7.297 12.517 0.000) 14.489 33.292 ( -3.687 -4.682 0.000) 5.959 33.292 ( -3.687 4.682 0.000) 5.959 33.337 ( -8.524 -5.940 0.000) 10.390 33.337 ( -8.524 5.940 0.000) 10.390 34.370 ( 10.924 -11.992 0.000) 16.222 34.370 ( 10.924 11.992 0.000) 16.222 34.760 ( -8.186 -15.706 0.000) 17.711 34.760 ( -8.186 15.706 0.000) 17.711 ======================= Grid point 27 (16/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -3.007 -14.499 0.000) 14.808 2.356 ( 3.007 -14.499 0.000) 14.808 2.356 ( -3.007 14.500 0.000) 14.808 2.356 ( 3.007 14.499 0.000) 14.808 3.199 ( -4.992 -11.482 0.000) 12.520 3.199 ( 4.992 -11.482 0.000) 12.520 3.199 ( -4.992 11.482 0.000) 12.520 3.199 ( 4.992 11.482 0.000) 12.520 3.276 ( -0.188 -7.149 0.000) 7.151 3.276 ( 0.188 -7.149 0.000) 7.151 3.276 ( -0.188 7.149 0.000) 7.151 3.276 ( 0.188 7.149 0.000) 7.151 3.978 ( -9.711 -13.480 0.000) 16.614 3.978 ( 9.711 -13.480 0.000) 16.614 3.978 ( -9.711 13.480 0.000) 16.614 3.978 ( 9.711 13.480 0.000) 16.614 4.351 ( -12.807 -8.196 0.000) 15.205 4.351 ( 12.808 -8.196 0.000) 15.205 4.351 ( -12.807 8.196 0.000) 15.205 4.351 ( 12.808 8.196 0.000) 15.205 5.118 ( -13.652 -6.233 0.000) 15.008 5.118 ( -13.652 6.233 0.000) 15.008 5.118 ( 13.652 -6.233 0.000) 15.008 5.118 ( 13.652 6.233 0.000) 15.008 5.622 ( -0.998 -13.460 0.000) 13.497 5.622 ( 0.998 -13.460 0.000) 13.497 5.622 ( -0.998 13.460 0.000) 13.497 5.622 ( 0.998 13.460 0.000) 13.497 6.096 ( -13.779 -9.831 0.000) 16.927 6.096 ( 13.779 -9.831 0.000) 16.927 6.096 ( -13.779 9.831 0.000) 16.927 6.096 ( 13.779 9.831 0.000) 16.927 6.809 ( -8.899 -26.629 0.000) 28.077 6.809 ( 8.899 -26.629 0.000) 28.077 6.809 ( -8.899 26.629 0.000) 28.077 6.809 ( 8.899 26.629 0.000) 28.077 7.504 ( -0.071 -8.577 0.000) 8.578 7.504 ( 0.071 -8.577 0.000) 8.578 7.504 ( -0.071 8.577 0.000) 8.578 7.504 ( 0.071 8.577 0.000) 8.578 8.101 ( -5.979 -3.309 0.000) 6.834 8.101 ( 5.979 -3.309 0.000) 6.834 8.101 ( -5.979 3.309 0.000) 6.834 8.101 ( 5.979 3.309 0.000) 6.834 9.230 ( -2.148 -11.784 0.000) 11.978 9.230 ( 2.148 -11.784 0.000) 11.978 9.230 ( -2.148 11.784 0.000) 11.978 9.230 ( 2.148 11.784 0.000) 11.978 9.908 ( -2.203 -5.534 0.000) 5.957 9.908 ( 2.203 -5.534 0.000) 5.957 9.908 ( -2.203 5.534 0.000) 5.957 9.908 ( 2.203 5.534 0.000) 5.957 10.668 ( -2.537 -5.248 0.000) 5.829 10.668 ( 2.537 -5.248 0.000) 5.829 10.668 ( -2.537 5.248 0.000) 5.829 10.668 ( 2.537 5.248 0.000) 5.829 11.414 ( -8.092 -10.379 0.000) 13.161 11.414 ( 8.092 -10.379 0.000) 13.161 11.414 ( -8.092 10.379 0.000) 13.161 11.414 ( 8.092 10.379 0.000) 13.161 11.966 ( -14.666 -5.582 0.000) 15.692 11.966 ( -14.666 5.582 0.000) 15.692 11.966 ( 14.666 -5.582 0.000) 15.692 11.966 ( 14.666 5.582 0.000) 15.692 12.665 ( -5.210 -6.883 0.000) 8.633 12.665 ( 5.210 -6.883 0.000) 8.633 12.665 ( -5.210 6.883 0.000) 8.633 12.665 ( 5.210 6.883 0.000) 8.633 13.591 ( -9.668 -9.634 0.000) 13.649 13.591 ( 9.668 -9.634 0.000) 13.649 13.591 ( -9.668 9.634 0.000) 13.649 13.591 ( 9.668 9.634 0.000) 13.649 14.084 ( -3.950 -11.228 0.000) 11.903 14.084 ( 3.950 -11.228 0.000) 11.903 14.084 ( -3.950 11.228 0.000) 11.903 14.084 ( 3.950 11.228 0.000) 11.903 15.112 ( -0.504 -14.166 0.000) 14.175 15.112 ( 0.504 -14.166 0.000) 14.175 15.112 ( -0.504 14.166 0.000) 14.175 15.112 ( 0.504 14.166 0.000) 14.175 16.072 ( -2.929 -12.182 0.000) 12.529 16.072 ( 2.929 -12.182 0.000) 12.529 16.072 ( -2.929 12.182 0.000) 12.529 16.072 ( 2.929 12.182 0.000) 12.529 17.023 ( -3.190 -8.783 0.000) 9.344 17.023 ( 3.190 -8.783 0.000) 9.344 17.023 ( -3.190 8.783 0.000) 9.344 17.023 ( 3.190 8.783 0.000) 9.344 17.591 ( -5.947 -9.238 0.000) 10.987 17.591 ( 5.947 -9.238 0.000) 10.987 17.591 ( -5.947 9.238 0.000) 10.987 17.591 ( 5.947 9.238 0.000) 10.987 18.263 ( -8.912 -17.354 0.000) 19.508 18.263 ( 8.912 -17.354 0.000) 19.508 18.263 ( -8.912 17.354 0.000) 19.508 18.263 ( 8.912 17.354 0.000) 19.508 20.312 ( -14.497 -12.398 0.000) 19.075 20.312 ( 14.497 -12.398 0.000) 19.075 20.312 ( -14.497 12.398 0.000) 19.075 20.312 ( 14.497 12.398 0.000) 19.075 21.588 ( -1.158 -13.528 0.000) 13.577 21.588 ( 1.158 -13.528 0.000) 13.577 21.588 ( -1.158 13.528 0.000) 13.577 21.588 ( 1.158 13.528 0.000) 13.577 24.330 ( -2.601 -22.869 0.000) 23.016 24.330 ( 2.601 -22.869 0.000) 23.016 24.330 ( -2.601 22.869 0.000) 23.016 24.330 ( 2.601 22.869 0.000) 23.016 26.011 ( -5.191 -6.112 0.000) 8.018 26.011 ( 5.191 -6.112 0.000) 8.018 26.011 ( -5.191 6.112 0.000) 8.018 26.011 ( 5.191 6.112 0.000) 8.018 26.727 ( -6.086 -16.666 0.000) 17.743 26.727 ( 6.086 -16.666 0.000) 17.743 26.727 ( -6.086 16.666 0.000) 17.743 26.727 ( 6.086 16.666 0.000) 17.743 27.418 ( -0.738 -5.972 0.000) 6.017 27.418 ( 0.738 -5.972 0.000) 6.017 27.418 ( -0.738 5.972 0.000) 6.017 27.418 ( 0.738 5.972 0.000) 6.017 28.010 ( -8.977 -12.572 0.000) 15.448 28.010 ( 8.977 -12.572 0.000) 15.448 28.010 ( -8.977 12.572 0.000) 15.448 28.010 ( 8.977 12.572 0.000) 15.448 28.438 ( -4.319 -12.074 0.000) 12.823 28.438 ( 4.319 -12.074 0.000) 12.823 28.438 ( -4.319 12.074 0.000) 12.823 28.438 ( 4.319 12.074 0.000) 12.823 29.057 ( -1.817 -2.268 0.000) 2.906 29.057 ( 1.817 -2.268 0.000) 2.906 29.057 ( -1.817 2.268 0.000) 2.906 29.057 ( 1.817 2.268 0.000) 2.906 29.462 ( -1.283 -3.110 0.000) 3.364 29.462 ( 1.283 -3.110 0.000) 3.364 29.462 ( -1.283 3.110 0.000) 3.364 29.462 ( 1.283 3.110 0.000) 3.364 29.931 ( -6.336 -3.357 0.000) 7.171 29.931 ( 6.336 -3.357 0.000) 7.171 29.931 ( -6.336 3.357 0.000) 7.171 29.931 ( 6.336 3.357 0.000) 7.171 32.098 ( -1.114 -4.714 0.000) 4.844 32.098 ( 1.114 -4.714 0.000) 4.844 32.098 ( -1.114 4.714 0.000) 4.844 32.098 ( 1.114 4.714 0.000) 4.844 32.577 ( -1.429 -7.217 0.000) 7.357 32.577 ( 1.429 -7.217 0.000) 7.357 32.577 ( -1.429 7.217 0.000) 7.357 32.577 ( 1.429 7.217 0.000) 7.357 33.249 ( -0.313 -1.066 0.000) 1.111 33.249 ( 0.313 -1.066 0.000) 1.111 33.249 ( -0.313 1.066 0.000) 1.111 33.249 ( 0.313 1.066 0.000) 1.111 34.578 ( -9.597 -13.920 0.000) 16.907 34.578 ( 9.597 -13.920 0.000) 16.907 34.578 ( -9.597 13.920 0.000) 16.907 34.578 ( 9.597 13.920 0.000) 16.907 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.000 0.000 43.385) 43.385 0.869 ( 0.000 0.000 45.433) 45.433 1.466 ( 0.000 0.000 74.525) 74.525 2.671 ( 0.000 0.000 7.116) 7.116 2.907 ( 0.000 0.000 17.833) 17.833 2.932 ( 0.000 0.000 -2.975) 2.975 2.994 ( 0.000 0.000 1.491) 1.491 3.176 ( 0.000 0.000 2.857) 2.857 3.272 ( 0.000 0.000 -3.155) 3.155 3.360 ( 0.000 0.000 -5.997) 5.997 3.438 ( 0.000 0.000 3.508) 3.508 3.491 ( 0.000 0.000 -12.658) 12.658 3.779 ( 0.000 0.000 2.091) 2.091 3.803 ( 0.000 0.000 0.831) 0.831 3.804 ( 0.000 0.000 -8.272) 8.272 4.168 ( 0.000 0.000 -12.499) 12.499 4.215 ( 0.000 0.000 -0.981) 0.981 4.391 ( 0.000 0.000 5.183) 5.183 4.607 ( 0.000 0.000 -9.284) 9.284 4.693 ( 0.000 0.000 -1.279) 1.279 4.768 ( 0.000 0.000 -0.017) 0.017 4.931 ( 0.000 0.000 15.198) 15.198 5.156 ( 0.000 0.000 4.118) 4.118 5.359 ( 0.000 0.000 10.524) 10.524 5.383 ( 0.000 0.000 -17.843) 17.843 5.404 ( 0.000 0.000 7.487) 7.487 5.512 ( 0.000 0.000 -8.106) 8.106 5.664 ( 0.000 0.000 4.313) 4.313 5.924 ( 0.000 0.000 18.484) 18.484 6.085 ( 0.000 0.000 2.322) 2.322 6.290 ( 0.000 0.000 -8.802) 8.802 6.519 ( 0.000 0.000 28.373) 28.373 6.659 ( 0.000 0.000 -11.238) 11.238 6.976 ( 0.000 0.000 8.717) 8.717 7.178 ( 0.000 0.000 -21.861) 21.861 7.377 ( 0.000 0.000 -5.259) 5.259 7.665 ( 0.000 0.000 6.900) 6.900 7.725 ( 0.000 0.000 7.489) 7.489 7.927 ( 0.000 0.000 13.407) 13.407 8.071 ( 0.000 0.000 -18.879) 18.879 8.187 ( 0.000 0.000 -28.987) 28.987 8.451 ( 0.000 0.000 -8.444) 8.444 8.585 ( 0.000 0.000 -0.652) 0.652 8.589 ( 0.000 0.000 -10.097) 10.097 8.665 ( 0.000 0.000 -19.696) 19.696 8.786 ( 0.000 0.000 -1.088) 1.088 9.012 ( 0.000 0.000 -12.845) 12.845 9.262 ( 0.000 0.000 17.266) 17.266 9.627 ( 0.000 0.000 12.906) 12.906 9.690 ( 0.000 0.000 10.152) 10.152 9.791 ( 0.000 0.000 2.507) 2.507 9.920 ( 0.000 0.000 35.583) 35.583 10.069 ( 0.000 0.000 9.016) 9.016 10.506 ( 0.000 0.000 -6.865) 6.865 10.734 ( 0.000 0.000 -1.610) 1.610 10.791 ( 0.000 0.000 -9.842) 9.842 11.369 ( 0.000 0.000 -5.449) 5.449 11.477 ( 0.000 0.000 2.269) 2.269 11.567 ( 0.000 0.000 2.463) 2.463 11.697 ( 0.000 0.000 3.464) 3.464 11.803 ( 0.000 0.000 -8.067) 8.067 11.808 ( 0.000 0.000 -19.771) 19.771 11.972 ( 0.000 0.000 5.292) 5.292 12.248 ( 0.000 0.000 -3.404) 3.404 12.473 ( 0.000 0.000 1.966) 1.966 12.667 ( 0.000 0.000 22.984) 22.984 12.741 ( 0.000 0.000 2.759) 2.759 12.838 ( 0.000 0.000 -7.222) 7.222 13.004 ( 0.000 0.000 -3.481) 3.481 13.008 ( 0.000 0.000 -8.642) 8.642 13.138 ( 0.000 0.000 -1.945) 1.945 13.447 ( 0.000 0.000 -8.141) 8.141 13.610 ( 0.000 0.000 -9.080) 9.080 13.620 ( 0.000 0.000 19.716) 19.716 14.019 ( 0.000 0.000 7.843) 7.843 14.697 ( 0.000 0.000 -8.354) 8.354 14.996 ( 0.000 0.000 4.999) 4.999 15.096 ( 0.000 0.000 -2.933) 2.933 15.607 ( 0.000 0.000 8.859) 8.859 15.797 ( 0.000 0.000 -9.688) 9.688 15.828 ( 0.000 0.000 0.648) 0.648 16.144 ( 0.000 0.000 -14.844) 14.844 16.205 ( 0.000 0.000 1.602) 1.602 16.517 ( 0.000 0.000 -6.298) 6.298 16.689 ( 0.000 0.000 0.824) 0.824 17.082 ( 0.000 0.000 -8.257) 8.257 17.189 ( 0.000 0.000 1.411) 1.411 17.493 ( 0.000 0.000 -1.945) 1.945 17.593 ( 0.000 0.000 3.236) 3.236 17.755 ( 0.000 0.000 -0.208) 0.208 17.766 ( 0.000 0.000 -4.036) 4.036 17.881 ( 0.000 0.000 0.310) 0.310 17.920 ( 0.000 0.000 2.881) 2.881 17.972 ( 0.000 0.000 -0.798) 0.798 18.565 ( 0.000 0.000 7.515) 7.515 18.983 ( 0.000 0.000 0.558) 0.558 19.455 ( 0.000 0.000 2.025) 2.025 19.943 ( 0.000 0.000 -11.119) 11.119 20.229 ( 0.000 0.000 -0.121) 0.121 20.920 ( 0.000 0.000 8.531) 8.531 21.020 ( 0.000 0.000 0.613) 0.613 21.243 ( 0.000 0.000 -18.894) 18.894 21.528 ( 0.000 0.000 13.122) 13.122 22.328 ( 0.000 0.000 2.992) 2.992 22.765 ( 0.000 0.000 13.177) 13.177 24.000 ( 0.000 0.000 13.845) 13.845 24.787 ( 0.000 0.000 -22.975) 22.975 25.257 ( 0.000 0.000 4.496) 4.496 25.477 ( 0.000 0.000 -12.213) 12.213 25.553 ( 0.000 0.000 9.977) 9.977 25.902 ( 0.000 0.000 1.817) 1.817 25.951 ( 0.000 0.000 6.974) 6.974 26.012 ( 0.000 0.000 -9.701) 9.701 26.483 ( 0.000 0.000 -1.587) 1.587 26.804 ( 0.000 0.000 11.520) 11.520 27.251 ( 0.000 0.000 0.827) 0.827 27.278 ( 0.000 0.000 3.385) 3.385 27.451 ( 0.000 0.000 2.809) 2.809 27.545 ( 0.000 0.000 -2.274) 2.274 27.750 ( 0.000 0.000 10.954) 10.954 27.824 ( 0.000 0.000 -2.060) 2.060 27.863 ( 0.000 0.000 -5.382) 5.382 28.043 ( 0.000 0.000 -7.564) 7.564 28.268 ( 0.000 0.000 5.663) 5.663 28.484 ( 0.000 0.000 4.692) 4.692 28.505 ( 0.000 0.000 -5.472) 5.472 28.702 ( 0.000 0.000 2.962) 2.962 28.988 ( 0.000 0.000 -1.353) 1.353 29.015 ( 0.000 0.000 -3.150) 3.150 29.050 ( 0.000 0.000 -0.370) 0.370 29.085 ( 0.000 0.000 1.132) 1.132 29.086 ( 0.000 0.000 -0.766) 0.766 29.410 ( 0.000 0.000 -1.707) 1.707 29.677 ( 0.000 0.000 -13.493) 13.493 29.953 ( 0.000 0.000 1.883) 1.883 29.993 ( 0.000 0.000 1.159) 1.159 30.002 ( 0.000 0.000 0.746) 0.746 30.206 ( 0.000 0.000 2.699) 2.699 30.227 ( 0.000 0.000 -0.418) 0.418 30.271 ( 0.000 0.000 -0.444) 0.444 31.060 ( 0.000 0.000 14.017) 14.017 31.116 ( 0.000 0.000 7.237) 7.237 31.756 ( 0.000 0.000 -3.287) 3.287 32.504 ( 0.000 0.000 5.604) 5.604 32.560 ( 0.000 0.000 -13.062) 13.062 32.876 ( 0.000 0.000 4.353) 4.353 32.950 ( 0.000 0.000 2.532) 2.532 33.075 ( 0.000 0.000 -0.922) 0.922 33.184 ( 0.000 0.000 1.233) 1.233 33.296 ( 0.000 0.000 -8.515) 8.515 33.363 ( 0.000 0.000 -3.632) 3.632 33.427 ( 0.000 0.000 -0.914) 0.914 33.607 ( 0.000 0.000 7.230) 7.230 34.038 ( 0.000 0.000 -2.890) 2.890 34.550 ( 0.000 0.000 -0.898) 0.898 34.885 ( 0.000 0.000 -5.391) 5.391 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 22.047 0.000 32.784) 39.508 1.226 ( 28.537 0.000 30.342) 41.653 1.877 ( 31.018 0.000 50.281) 59.079 2.798 ( 12.354 0.000 9.671) 15.689 2.878 ( -5.296 0.000 0.490) 5.319 2.988 ( 9.145 0.000 11.285) 14.525 3.027 ( 3.886 0.000 0.657) 3.941 3.173 ( -4.465 0.000 -4.515) 6.350 3.265 ( -10.938 0.000 2.575) 11.237 3.431 ( 3.262 0.000 -7.656) 8.321 3.487 ( 8.695 0.000 -9.861) 13.147 3.552 ( 17.385 0.000 5.067) 18.109 3.682 ( -9.466 0.000 -3.474) 10.083 3.798 ( 0.317 0.000 -4.074) 4.087 3.884 ( 3.269 0.000 -0.638) 3.330 4.144 ( -1.797 0.000 -12.531) 12.659 4.182 ( -0.303 0.000 -1.094) 1.135 4.365 ( -1.639 0.000 4.609) 4.892 4.638 ( 3.758 0.000 -8.188) 9.009 4.642 ( 0.042 0.000 1.873) 1.873 4.838 ( 0.212 0.000 0.511) 0.553 4.861 ( -8.759 0.000 12.952) 15.636 5.034 ( -9.360 0.000 6.382) 11.329 5.148 ( -17.181 0.000 3.139) 17.466 5.424 ( -8.299 0.000 -4.842) 9.608 5.468 ( 6.067 0.000 -6.347) 8.780 5.477 ( 4.872 0.000 3.266) 5.865 5.702 ( -5.305 0.000 8.500) 10.020 5.837 ( 9.537 0.000 7.338) 12.034 6.160 ( -11.973 0.000 3.738) 12.543 6.204 ( -2.915 0.000 2.472) 3.822 6.629 ( 12.244 0.000 21.766) 24.974 6.753 ( 9.106 0.000 -14.493) 17.116 6.963 ( 2.743 0.000 0.329) 2.763 7.271 ( 6.839 0.000 -14.578) 16.102 7.366 ( -4.032 0.000 -4.220) 5.836 7.646 ( -0.724 0.000 2.372) 2.480 7.802 ( 4.986 0.000 10.935) 12.018 7.810 ( -18.548 0.000 -18.931) 26.503 7.992 ( 5.762 0.000 9.512) 11.121 8.117 ( -4.768 0.000 -11.766) 12.695 8.339 ( -8.045 0.000 -4.836) 9.387 8.605 ( -2.098 0.000 -1.994) 2.894 8.613 ( 7.345 0.000 -20.552) 21.825 8.653 ( -9.091 0.000 -1.183) 9.168 8.869 ( -3.037 0.000 -5.291) 6.100 8.883 ( -11.728 0.000 -7.754) 14.060 9.074 ( -1.060 0.000 9.980) 10.036 9.688 ( -2.608 0.000 24.822) 24.959 9.704 ( 6.379 0.000 5.314) 8.302 9.895 ( 9.672 0.000 5.338) 11.047 9.988 ( 4.882 0.000 14.431) 15.234 10.200 ( 11.638 0.000 4.650) 12.532 10.591 ( 7.423 0.000 -2.762) 7.920 10.824 ( 8.882 0.000 -10.614) 13.840 10.855 ( 1.608 0.000 -14.571) 14.659 11.081 ( -15.118 0.000 6.141) 16.317 11.415 ( -11.479 0.000 2.283) 11.704 11.560 ( -1.545 0.000 -12.377) 12.473 11.683 ( 1.810 0.000 14.020) 14.136 11.852 ( -0.201 0.000 -24.778) 24.779 11.873 ( 9.893 0.000 -1.370) 9.988 12.122 ( 12.243 0.000 1.313) 12.313 12.293 ( 4.055 0.000 -0.314) 4.067 12.408 ( -5.638 0.000 0.870) 5.705 12.591 ( -5.085 0.000 9.364) 10.655 12.665 ( -0.128 0.000 19.300) 19.300 12.841 ( -1.677 0.000 -3.856) 4.205 12.932 ( -4.658 0.000 -4.707) 6.622 13.014 ( -0.830 0.000 -8.932) 8.971 13.173 ( -0.079 0.000 0.609) 0.614 13.359 ( -6.077 0.000 -12.152) 13.587 13.548 ( -7.020 0.000 18.047) 19.364 13.560 ( -4.909 0.000 2.172) 5.368 13.936 ( 2.603 0.000 3.796) 4.602 14.647 ( -5.101 0.000 -8.580) 9.982 15.089 ( 2.953 0.000 2.539) 3.894 15.132 ( 3.451 0.000 -1.833) 3.908 15.529 ( -6.855 0.000 7.866) 10.434 15.730 ( -8.200 0.000 2.429) 8.552 15.808 ( 0.811 0.000 -7.741) 7.784 16.191 ( 4.343 0.000 -13.612) 14.288 16.200 ( -0.967 0.000 -0.372) 1.036 16.562 ( 2.921 0.000 -8.784) 9.257 16.704 ( 1.498 0.000 1.219) 1.931 17.005 ( -6.239 0.000 -5.302) 8.187 17.170 ( -1.103 0.000 3.218) 3.402 17.466 ( -2.628 0.000 -1.577) 3.065 17.575 ( -1.925 0.000 4.429) 4.830 17.658 ( -2.652 0.000 3.207) 4.161 17.781 ( 2.203 0.000 -1.055) 2.443 17.882 ( 0.095 0.000 -0.008) 0.095 17.900 ( 0.296 0.000 2.788) 2.804 17.968 ( -0.421 0.000 -0.056) 0.425 18.893 ( 14.622 0.000 -2.179) 14.783 19.051 ( 5.810 0.000 -0.713) 5.853 19.493 ( 4.012 0.000 2.391) 4.671 20.005 ( 5.569 0.000 -11.624) 12.889 20.286 ( 2.746 0.000 -2.945) 4.027 20.723 ( -14.226 0.000 8.555) 16.601 21.015 ( -4.594 0.000 -0.439) 4.615 21.041 ( -14.121 0.000 -8.215) 16.337 21.694 ( 11.291 0.000 4.742) 12.247 22.295 ( -2.513 0.000 2.296) 3.404 22.829 ( 6.674 0.000 14.110) 15.609 23.903 ( -8.955 0.000 12.296) 15.211 24.901 ( 9.659 0.000 -23.020) 24.964 25.273 ( 1.466 0.000 4.896) 5.110 25.445 ( -2.783 0.000 -15.389) 15.638 25.527 ( -2.561 0.000 9.613) 9.948 25.950 ( 3.836 0.000 5.847) 6.993 25.994 ( 4.421 0.000 8.923) 9.958 26.019 ( 2.297 0.000 -6.756) 7.135 26.460 ( -2.254 0.000 -2.513) 3.376 26.819 ( 1.514 0.000 10.045) 10.158 27.265 ( 1.968 0.000 3.885) 4.355 27.273 ( -0.577 0.000 2.979) 3.035 27.448 ( -0.361 0.000 2.856) 2.879 27.513 ( -3.236 0.000 -1.795) 3.700 27.691 ( -4.450 0.000 1.253) 4.623 27.759 ( -2.198 0.000 16.617) 16.762 27.843 ( 1.819 0.000 -2.139) 2.808 28.031 ( -1.054 0.000 -6.655) 6.738 28.187 ( -6.396 0.000 5.971) 8.750 28.436 ( 2.505 0.000 0.466) 2.548 28.625 ( 2.672 0.000 -0.483) 2.715 28.897 ( 15.528 0.000 1.378) 15.589 28.976 ( -0.796 0.000 -0.908) 1.208 29.049 ( -1.139 0.000 -1.015) 1.526 29.064 ( 4.573 0.000 -2.699) 5.311 29.099 ( 2.811 0.000 0.515) 2.858 29.117 ( 2.154 0.000 0.457) 2.201 29.401 ( -0.954 0.000 -1.473) 1.755 29.662 ( 0.264 0.000 -13.240) 13.243 29.960 ( -2.507 0.000 0.849) 2.647 29.970 ( -2.344 0.000 -7.799) 8.144 29.987 ( -1.835 0.000 1.299) 2.248 30.138 ( -5.589 0.000 -2.838) 6.268 30.233 ( 0.547 0.000 -0.764) 0.939 30.272 ( 0.036 0.000 -0.668) 0.669 31.090 ( -0.336 0.000 6.175) 6.184 31.162 ( 9.691 0.000 12.775) 16.035 31.706 ( -6.666 0.000 -0.837) 6.719 32.363 ( -10.164 0.000 1.839) 10.329 32.546 ( -15.493 0.000 10.484) 18.707 32.651 ( 5.611 0.000 -9.348) 10.903 32.931 ( 4.659 0.000 3.747) 5.979 32.934 ( -13.138 0.000 5.077) 14.085 33.197 ( 5.799 0.000 3.819) 6.944 33.270 ( -2.445 0.000 -8.150) 8.509 33.380 ( 1.826 0.000 -2.940) 3.460 33.411 ( 1.189 0.000 4.494) 4.649 33.573 ( -3.114 0.000 7.019) 7.678 33.982 ( -5.303 0.000 -2.710) 5.955 34.631 ( 7.582 0.000 -1.409) 7.711 35.308 ( 10.799 0.000 -24.784) 27.035 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 30.483 0.000 20.345) 36.649 1.846 ( 29.849 0.000 15.133) 33.466 2.367 ( 13.707 0.000 19.771) 24.058 2.762 ( -4.657 0.000 4.724) 6.633 2.851 ( -25.175 0.000 5.649) 25.801 2.955 ( -2.746 0.000 7.750) 8.222 3.077 ( 0.875 0.000 -2.856) 2.987 3.246 ( -3.349 0.000 0.968) 3.486 3.292 ( 15.893 0.000 6.326) 17.106 3.459 ( 9.275 0.000 -1.011) 9.330 3.536 ( -0.950 0.000 -5.006) 5.095 3.549 ( 2.055 0.000 -11.904) 12.080 3.847 ( 8.370 0.000 -2.360) 8.697 3.947 ( 4.748 0.000 3.177) 5.713 3.979 ( 7.914 0.000 -0.768) 7.951 4.200 ( 0.655 0.000 -3.099) 3.168 4.235 ( 16.737 0.000 -5.908) 17.749 4.367 ( 3.627 0.000 7.101) 7.974 4.543 ( -20.212 0.000 7.382) 21.518 4.638 ( -3.657 0.000 1.080) 3.813 4.745 ( -3.414 0.000 -5.416) 6.403 4.771 ( -3.104 0.000 4.146) 5.179 4.916 ( -3.264 0.000 5.027) 5.994 4.924 ( 8.707 0.000 2.594) 9.085 5.127 ( -20.143 0.000 3.201) 20.396 5.522 ( 1.146 0.000 9.027) 9.100 5.553 ( 4.391 0.000 2.322) 4.967 5.785 ( 3.381 0.000 14.312) 14.706 5.907 ( -11.498 0.000 4.332) 12.287 5.934 ( -3.782 0.000 1.845) 4.208 6.117 ( 4.518 0.000 -14.256) 14.955 6.869 ( -0.495 0.000 0.251) 0.555 6.959 ( 9.191 0.000 -11.648) 14.837 7.036 ( -11.818 0.000 1.610) 11.928 7.048 ( 4.160 0.000 -5.209) 6.666 7.425 ( 7.596 0.000 -10.414) 12.890 7.609 ( -10.109 0.000 -5.513) 11.515 7.626 ( -1.724 0.000 -2.842) 3.324 7.915 ( 5.985 0.000 10.887) 12.423 8.048 ( 3.170 0.000 4.515) 5.516 8.089 ( 1.049 0.000 4.434) 4.556 8.189 ( -4.992 0.000 -2.071) 5.404 8.456 ( -3.937 0.000 3.649) 5.368 8.506 ( -11.587 0.000 -3.842) 12.208 8.540 ( -15.934 0.000 11.910) 19.893 8.649 ( -8.411 0.000 0.136) 8.412 8.827 ( 10.212 0.000 -13.160) 16.657 9.180 ( -1.009 0.000 -1.145) 1.526 9.704 ( 7.532 0.000 12.759) 14.816 9.861 ( 8.493 0.000 -1.540) 8.631 10.032 ( -1.453 0.000 3.978) 4.235 10.062 ( 3.528 0.000 3.639) 5.069 10.474 ( 14.142 0.000 -3.067) 14.471 10.765 ( 9.335 0.000 4.701) 10.452 10.805 ( -2.671 0.000 -5.234) 5.876 10.928 ( -2.322 0.000 4.805) 5.337 11.050 ( 9.496 0.000 -18.241) 20.565 11.178 ( -11.403 0.000 4.560) 12.281 11.360 ( -8.587 0.000 -10.090) 13.249 11.701 ( -8.023 0.000 -23.424) 24.759 12.016 ( 16.635 0.000 6.420) 17.831 12.040 ( 6.026 0.000 -3.000) 6.732 12.269 ( -6.714 0.000 0.690) 6.749 12.379 ( 11.615 0.000 -5.161) 12.709 12.403 ( 6.398 0.000 4.693) 7.934 12.602 ( 4.957 0.000 6.673) 8.312 12.628 ( -7.044 0.000 14.590) 16.202 12.698 ( -6.272 0.000 -0.926) 6.340 12.945 ( -6.531 0.000 -9.062) 11.171 12.948 ( 4.478 0.000 -2.690) 5.224 13.053 ( -9.205 0.000 -4.933) 10.444 13.328 ( 2.248 0.000 -4.905) 5.396 13.346 ( -12.123 0.000 13.222) 17.939 13.461 ( -4.227 0.000 3.514) 5.497 14.082 ( 9.867 0.000 -4.013) 10.652 14.503 ( -8.787 0.000 -8.490) 12.218 15.132 ( 2.642 0.000 5.577) 6.171 15.229 ( 5.941 0.000 1.080) 6.038 15.368 ( -8.149 0.000 6.767) 10.592 15.545 ( -9.239 0.000 4.395) 10.231 15.840 ( 3.164 0.000 -5.564) 6.401 16.122 ( -6.959 0.000 -3.271) 7.690 16.311 ( 7.074 0.000 -11.395) 13.413 16.571 ( -2.782 0.000 -11.158) 11.500 16.750 ( 2.808 0.000 1.868) 3.372 16.885 ( -4.719 0.000 -0.461) 4.742 17.184 ( 2.965 0.000 4.190) 5.133 17.388 ( -4.859 0.000 -0.503) 4.885 17.559 ( 0.541 0.000 3.601) 3.641 17.625 ( -1.672 0.000 2.494) 3.003 17.830 ( 2.324 0.000 -1.840) 2.964 17.882 ( -0.256 0.000 -0.799) 0.839 17.916 ( 1.042 0.000 2.177) 2.414 17.956 ( -0.742 0.000 1.018) 1.260 19.097 ( 6.864 0.000 1.406) 7.007 19.169 ( 4.301 0.000 -1.093) 4.438 19.632 ( 9.862 0.000 2.676) 10.219 20.097 ( -1.171 0.000 -9.688) 9.758 20.346 ( 4.480 0.000 -1.920) 4.874 20.465 ( -5.978 0.000 7.185) 9.346 20.750 ( -13.871 0.000 -3.978) 14.430 20.831 ( -12.218 0.000 -2.655) 12.503 21.918 ( 10.232 0.000 1.788) 10.387 22.225 ( -4.610 0.000 1.170) 4.757 23.039 ( 13.381 0.000 14.401) 19.658 23.661 ( -14.311 0.000 11.859) 18.586 25.112 ( 9.852 0.000 -25.089) 26.954 25.315 ( 2.712 0.000 6.066) 6.645 25.377 ( -3.897 0.000 -21.185) 21.541 25.459 ( -3.819 0.000 8.667) 9.471 26.034 ( 4.327 0.000 13.347) 14.031 26.097 ( 3.873 0.000 14.441) 14.951 26.111 ( 6.259 0.000 -6.135) 8.764 26.384 ( -5.336 0.000 -4.259) 6.827 26.884 ( 5.715 0.000 4.841) 7.490 27.229 ( -5.051 0.000 0.665) 5.094 27.341 ( 5.349 0.000 9.382) 10.800 27.427 ( -2.295 0.000 2.247) 3.212 27.440 ( -1.946 0.000 2.205) 2.941 27.596 ( -5.565 0.000 16.410) 17.327 27.790 ( 4.755 0.000 -0.399) 4.772 27.896 ( 3.223 0.000 -2.585) 4.131 28.004 ( -1.633 0.000 -4.877) 5.144 28.058 ( -6.576 0.000 1.970) 6.865 28.508 ( 4.842 0.000 4.076) 6.329 28.666 ( 0.371 0.000 0.349) 0.510 28.966 ( 0.016 0.000 -0.553) 0.553 29.016 ( -1.904 0.000 -0.630) 2.006 29.161 ( 5.309 0.000 -1.059) 5.414 29.162 ( 2.737 0.000 0.511) 2.784 29.171 ( 2.679 0.000 0.402) 2.709 29.202 ( 9.971 0.000 -1.276) 10.053 29.397 ( 2.933 0.000 -0.228) 2.941 29.697 ( 2.865 0.000 -10.070) 10.470 29.847 ( -8.104 0.000 -11.730) 14.257 29.909 ( -1.998 0.000 1.132) 2.297 29.936 ( -2.765 0.000 1.447) 3.121 30.006 ( -7.165 0.000 -12.202) 14.150 30.247 ( 0.689 0.000 -1.242) 1.420 30.270 ( -0.319 0.000 -1.078) 1.125 31.140 ( 5.397 0.000 5.906) 8.000 31.431 ( 15.944 0.000 9.723) 18.675 31.513 ( -10.784 0.000 3.811) 11.437 32.108 ( -14.725 0.000 3.622) 15.164 32.411 ( -0.795 0.000 2.061) 2.210 32.671 ( -12.148 0.000 0.754) 12.172 32.781 ( 7.062 0.000 -10.126) 12.345 33.008 ( 0.602 0.000 -2.496) 2.568 33.230 ( 0.527 0.000 -2.295) 2.354 33.308 ( 5.073 0.000 5.492) 7.477 33.419 ( -1.046 0.000 1.412) 1.757 33.426 ( -0.179 0.000 6.016) 6.019 33.519 ( 1.208 0.000 2.869) 3.113 33.835 ( -8.783 0.000 -2.217) 9.059 34.832 ( 11.579 0.000 -3.323) 12.046 35.297 ( -7.823 0.000 -13.505) 15.607 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -31.513 0.000 12.111) 33.760 2.259 ( 31.513 0.000 12.111) 33.760 2.350 ( -16.430 0.000 6.368) 17.621 2.350 ( 16.430 0.000 6.368) 17.621 2.791 ( -8.800 0.000 10.549) 13.738 2.791 ( 8.800 0.000 10.549) 13.738 3.108 ( -3.281 0.000 -2.602) 4.187 3.108 ( 3.281 0.000 -2.602) 4.187 3.537 ( -5.379 0.000 -5.177) 7.465 3.537 ( 5.379 0.000 -5.177) 7.465 3.551 ( -1.563 0.000 -0.790) 1.751 3.551 ( 1.563 0.000 -0.790) 1.751 4.016 ( -4.682 0.000 -1.610) 4.951 4.016 ( 4.682 0.000 -1.610) 4.951 4.150 ( -14.932 0.000 1.881) 15.050 4.150 ( 14.932 0.000 1.881) 15.050 4.412 ( -16.507 0.000 -1.757) 16.600 4.412 ( 16.507 0.000 -1.757) 16.600 4.540 ( -11.647 0.000 -3.035) 12.036 4.540 ( 11.647 0.000 -3.035) 12.036 4.598 ( -18.236 0.000 15.417) 23.879 4.598 ( 18.236 0.000 15.417) 23.879 4.854 ( -1.826 0.000 0.556) 1.909 4.854 ( 1.826 0.000 0.556) 1.909 5.389 ( -21.830 0.000 -0.157) 21.830 5.389 ( 21.830 0.000 -0.157) 21.830 5.696 ( -9.214 0.000 2.975) 9.682 5.696 ( 9.214 0.000 2.975) 9.682 5.765 ( -3.142 0.000 13.947) 14.296 5.765 ( 3.142 0.000 13.947) 14.296 6.448 ( -21.800 0.000 -16.780) 27.510 6.448 ( 21.800 0.000 -16.780) 27.510 7.080 ( -2.036 0.000 -8.060) 8.313 7.080 ( 2.036 0.000 -8.060) 8.313 7.283 ( -17.929 0.000 8.256) 19.738 7.283 ( 17.929 0.000 8.256) 19.738 7.557 ( -5.119 0.000 -7.802) 9.331 7.557 ( 5.119 0.000 -7.802) 9.331 8.017 ( -4.612 0.000 5.189) 6.942 8.017 ( 4.612 0.000 5.189) 6.942 8.246 ( -13.074 0.000 9.107) 15.934 8.246 ( 13.074 0.000 9.107) 15.934 8.251 ( -10.387 0.000 1.194) 10.456 8.251 ( 10.387 0.000 1.194) 10.456 8.507 ( -6.075 0.000 2.339) 6.510 8.507 ( 6.075 0.000 2.339) 6.510 9.039 ( -9.990 0.000 -2.758) 10.364 9.039 ( 9.990 0.000 -2.758) 10.364 9.915 ( -9.671 0.000 1.845) 9.846 9.915 ( 9.671 0.000 1.845) 9.846 10.019 ( -6.200 0.000 -1.625) 6.409 10.019 ( 6.200 0.000 -1.625) 6.409 10.723 ( -8.587 0.000 -7.861) 11.642 10.723 ( 8.587 0.000 -7.861) 11.642 10.972 ( -7.529 0.000 10.243) 12.712 10.972 ( 7.529 0.000 10.243) 12.712 10.974 ( -10.938 0.000 3.771) 11.570 10.974 ( 10.938 0.000 3.771) 11.570 11.470 ( -13.062 0.000 -29.204) 31.992 11.470 ( 13.062 0.000 -29.204) 31.992 12.142 ( -5.178 0.000 -1.366) 5.355 12.142 ( 5.178 0.000 -1.366) 5.355 12.343 ( -14.102 0.000 6.956) 15.724 12.343 ( 14.102 0.000 6.956) 15.724 12.590 ( -6.481 0.000 6.948) 9.501 12.590 ( 6.481 0.000 6.948) 9.501 12.607 ( -8.779 0.000 -3.313) 9.383 12.607 ( 8.779 0.000 -3.313) 9.383 12.888 ( -5.608 0.000 -5.345) 7.747 12.888 ( 5.608 0.000 -5.345) 7.747 13.101 ( -10.578 0.000 5.110) 11.748 13.101 ( 10.578 0.000 5.110) 11.748 13.388 ( -3.214 0.000 -0.031) 3.214 13.388 ( 3.214 0.000 -0.031) 3.214 14.299 ( -10.838 0.000 -7.043) 12.925 14.299 ( 10.838 0.000 -7.043) 12.925 15.220 ( -6.020 0.000 6.188) 8.633 15.220 ( 6.020 0.000 6.188) 8.633 15.370 ( -7.811 0.000 3.856) 8.711 15.370 ( 7.811 0.000 3.856) 8.711 15.955 ( -7.897 0.000 -4.306) 8.995 15.955 ( 7.897 0.000 -4.306) 8.995 16.461 ( -7.145 0.000 -10.665) 12.837 16.461 ( 7.145 0.000 -10.665) 12.837 16.811 ( -3.093 0.000 1.727) 3.542 16.811 ( 3.093 0.000 1.727) 3.542 17.278 ( -5.568 0.000 1.647) 5.807 17.278 ( 5.568 0.000 1.647) 5.807 17.587 ( -1.874 0.000 2.792) 3.362 17.587 ( 1.874 0.000 2.792) 3.362 17.867 ( -1.248 0.000 -1.593) 2.024 17.867 ( 1.248 0.000 -1.593) 2.024 17.938 ( -1.028 0.000 1.718) 2.002 17.938 ( 1.028 0.000 1.718) 2.002 19.191 ( -2.104 0.000 0.229) 2.116 19.191 ( 2.104 0.000 0.229) 2.116 19.887 ( -14.268 0.000 0.901) 14.297 19.887 ( 14.268 0.000 0.901) 14.297 20.498 ( -10.366 0.000 -2.187) 10.594 20.498 ( 10.366 0.000 -2.187) 10.594 20.573 ( -11.779 0.000 -2.334) 12.008 20.573 ( 11.779 0.000 -2.334) 12.008 22.101 ( -7.603 0.000 0.989) 7.667 22.101 ( 7.603 0.000 0.989) 7.667 23.345 ( -15.995 0.000 13.141) 20.701 23.345 ( 15.995 0.000 13.141) 20.701 25.277 ( -6.277 0.000 -25.268) 26.036 25.277 ( 6.277 0.000 -25.268) 26.036 25.381 ( -3.648 0.000 7.414) 8.263 25.381 ( 3.648 0.000 7.414) 8.263 26.110 ( -2.379 0.000 17.523) 17.684 26.110 ( 2.379 0.000 17.523) 17.684 26.252 ( -7.150 0.000 -5.433) 8.980 26.252 ( 7.150 0.000 -5.433) 8.980 27.057 ( -10.242 0.000 -0.022) 10.242 27.057 ( 10.242 0.000 -0.022) 10.242 27.413 ( -0.856 0.000 3.663) 3.761 27.413 ( 0.856 0.000 3.663) 3.761 27.468 ( -6.690 0.000 14.963) 16.390 27.468 ( 6.690 0.000 14.963) 16.390 27.917 ( -7.058 0.000 -1.484) 7.212 27.917 ( 7.058 0.000 -1.484) 7.212 27.960 ( -2.774 0.000 -3.502) 4.468 27.960 ( 2.774 0.000 -3.502) 4.468 28.617 ( -4.851 0.000 2.976) 5.691 28.617 ( 4.851 0.000 2.976) 5.691 28.980 ( -1.356 0.000 -0.492) 1.443 28.980 ( 1.356 0.000 -0.492) 1.443 29.198 ( -0.350 0.000 0.494) 0.606 29.198 ( 0.350 0.000 0.494) 0.606 29.239 ( -2.819 0.000 0.283) 2.833 29.239 ( 2.819 0.000 0.283) 2.833 29.591 ( -11.916 0.000 -3.111) 12.315 29.591 ( 11.916 0.000 -3.111) 12.315 29.854 ( -7.229 0.000 -16.728) 18.223 29.854 ( 7.229 0.000 -16.728) 18.223 29.895 ( -0.798 0.000 1.388) 1.601 29.895 ( 0.798 0.000 1.388) 1.601 30.260 ( -0.608 0.000 -1.339) 1.471 30.260 ( 0.608 0.000 -1.339) 1.471 31.299 ( -9.698 0.000 5.316) 11.059 31.299 ( 9.698 0.000 5.316) 11.059 31.777 ( -17.311 0.000 6.338) 18.435 31.777 ( 17.311 0.000 6.338) 18.435 32.472 ( -6.697 0.000 -0.293) 6.703 32.472 ( 6.697 0.000 -0.293) 6.703 32.927 ( -6.769 0.000 -9.449) 11.624 32.927 ( 6.769 0.000 -9.449) 11.624 33.317 ( -6.313 0.000 4.377) 7.682 33.317 ( 6.313 0.000 4.377) 7.682 33.394 ( -3.031 0.000 6.185) 6.888 33.394 ( 3.031 0.000 6.185) 6.888 33.648 ( -8.877 0.000 -1.443) 8.993 33.648 ( 8.877 0.000 -1.443) 8.993 35.080 ( -12.221 0.000 -7.055) 14.112 35.080 ( 12.221 0.000 -7.055) 14.112 ======================= Grid point 56 (21/64) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.000 26.102 31.590) 40.978 1.358 ( 0.000 32.815 32.064) 45.879 2.118 ( 0.000 54.430 45.840) 71.162 2.614 ( 0.000 -4.288 9.066) 10.029 2.922 ( 0.000 -0.825 -3.495) 3.591 2.935 ( 0.000 0.126 8.448) 8.449 3.035 ( 0.000 2.759 -0.113) 2.762 3.216 ( 0.000 1.324 -0.671) 1.484 3.270 ( 0.000 1.121 -3.278) 3.464 3.306 ( 0.000 -4.927 -5.150) 7.127 3.410 ( 0.000 -1.725 6.219) 6.454 3.556 ( 0.000 -0.123 -7.831) 7.831 3.689 ( 0.000 -7.783 -6.253) 9.984 3.787 ( 0.000 -2.726 -7.274) 7.768 3.797 ( 0.000 7.293 6.122) 9.522 4.112 ( 0.000 -6.198 2.412) 6.651 4.177 ( 0.000 -1.023 -4.025) 4.153 4.433 ( 0.000 4.643 4.150) 6.228 4.518 ( 0.000 -12.521 0.122) 12.522 4.560 ( 0.000 -4.725 1.033) 4.837 4.859 ( 0.000 -12.069 17.072) 20.907 4.974 ( 0.000 -0.072 12.576) 12.576 5.008 ( 0.000 8.170 -16.640) 18.538 5.179 ( 0.000 -9.570 -7.720) 12.296 5.315 ( 0.000 -1.379 8.655) 8.764 5.677 ( 0.000 10.986 4.835) 12.003 5.681 ( 0.000 5.606 -14.605) 15.644 5.826 ( 0.000 -10.552 -1.495) 10.657 5.840 ( 0.000 11.710 0.633) 11.728 5.916 ( 0.000 8.054 16.898) 18.719 6.354 ( 0.000 -8.987 12.258) 15.200 6.455 ( 0.000 7.578 -3.529) 8.360 6.739 ( 0.000 3.910 -4.225) 5.757 6.965 ( 0.000 -13.208 1.051) 13.249 7.065 ( 0.000 -12.361 -17.645) 21.544 7.087 ( 0.000 -7.100 1.168) 7.196 7.523 ( 0.000 -10.064 -2.799) 10.446 7.640 ( 0.000 -7.266 7.736) 10.613 7.802 ( 0.000 -12.646 13.511) 18.506 8.175 ( 0.000 -0.805 4.035) 4.115 8.190 ( 0.000 -0.165 -27.669) 27.669 8.448 ( 0.000 9.958 -8.990) 13.416 8.479 ( 0.000 -8.485 -1.826) 8.679 8.684 ( 0.000 1.175 -18.967) 19.003 8.816 ( 0.000 16.201 -18.860) 24.863 9.022 ( 0.000 1.192 -11.033) 11.097 9.103 ( 0.000 19.285 0.278) 19.287 9.202 ( 0.000 -1.343 7.336) 7.458 9.369 ( 0.000 -23.646 2.710) 23.801 9.686 ( 0.000 -7.171 6.721) 9.828 9.808 ( 0.000 13.685 20.519) 24.664 10.009 ( 0.000 0.689 14.314) 14.331 10.017 ( 0.000 9.223 28.579) 30.031 10.545 ( 0.000 0.552 -19.452) 19.460 10.700 ( 0.000 -8.371 -3.992) 9.274 10.971 ( 0.000 12.780 7.576) 14.857 11.182 ( 0.000 -8.104 5.850) 9.995 11.397 ( 0.000 -13.832 -4.512) 14.550 11.468 ( 0.000 -7.898 -3.654) 8.702 11.599 ( 0.000 0.498 -2.204) 2.260 11.672 ( 0.000 -1.944 3.003) 3.577 11.817 ( 0.000 -0.685 -13.104) 13.121 12.232 ( 0.000 -2.262 -0.179) 2.269 12.408 ( 0.000 -0.020 4.786) 4.786 12.434 ( 0.000 4.082 -0.468) 4.109 12.530 ( 0.000 -5.038 12.131) 13.135 12.653 ( 0.000 4.743 -3.385) 5.827 12.877 ( 0.000 3.485 -4.961) 6.063 12.943 ( 0.000 2.091 -5.526) 5.908 13.240 ( 0.000 5.221 -7.778) 9.367 13.351 ( 0.000 17.150 3.493) 17.502 13.488 ( 0.000 7.024 -7.410) 10.210 13.756 ( 0.000 14.829 -8.096) 16.895 13.798 ( 0.000 -5.096 14.404) 15.278 13.882 ( 0.000 15.776 19.701) 25.239 14.654 ( 0.000 -3.965 -5.714) 6.955 14.967 ( 0.000 -2.110 3.309) 3.925 15.177 ( 0.000 4.613 -4.191) 6.233 15.520 ( 0.000 -7.344 8.485) 11.222 15.698 ( 0.000 -8.246 -6.416) 10.448 15.886 ( 0.000 4.398 -0.549) 4.432 16.152 ( 0.000 -3.049 -1.555) 3.423 16.185 ( 0.000 3.292 -14.386) 14.758 16.309 ( 0.000 -13.767 -3.074) 14.106 16.845 ( 0.000 10.277 -1.433) 10.376 17.029 ( 0.000 -3.936 -7.838) 8.771 17.298 ( 0.000 7.538 -2.091) 7.823 17.331 ( 0.000 -17.045 3.653) 17.432 17.499 ( 0.000 -7.997 2.719) 8.447 17.672 ( 0.000 -6.768 -4.174) 7.952 17.726 ( 0.000 -12.322 2.444) 12.562 17.824 ( 0.000 -10.771 2.042) 10.963 17.836 ( 0.000 4.837 -0.354) 4.850 17.986 ( 0.000 8.024 -7.963) 11.305 18.673 ( 0.000 6.216 3.263) 7.020 18.737 ( 0.000 -17.041 2.221) 17.185 19.422 ( 0.000 -0.245 2.600) 2.612 20.114 ( 0.000 5.238 -12.569) 13.617 20.461 ( 0.000 19.881 -0.373) 19.884 21.048 ( 0.000 6.314 7.394) 9.723 21.163 ( 0.000 10.977 0.411) 10.984 21.167 ( 0.000 -2.954 -9.054) 9.524 21.434 ( 0.000 -7.647 13.095) 15.165 22.200 ( 0.000 -8.049 -2.644) 8.472 23.131 ( 0.000 27.246 13.955) 30.612 24.043 ( 0.000 2.519 10.144) 10.452 24.886 ( 0.000 3.809 -17.698) 18.103 25.133 ( 0.000 -5.908 -1.793) 6.174 25.427 ( 0.000 -7.936 6.772) 10.433 25.563 ( 0.000 3.836 -7.434) 8.365 25.921 ( 0.000 -2.856 -7.072) 7.627 26.028 ( 0.000 6.854 8.665) 11.048 26.231 ( 0.000 11.379 -11.921) 16.479 26.486 ( 0.000 5.125 -7.117) 8.771 26.867 ( 0.000 5.657 10.872) 12.255 27.162 ( 0.000 -8.780 -1.033) 8.841 27.300 ( 0.000 1.836 3.507) 3.959 27.458 ( 0.000 -6.629 8.049) 10.427 27.471 ( 0.000 1.826 2.356) 2.980 27.786 ( 0.000 1.679 0.284) 1.702 27.829 ( 0.000 -3.135 -3.975) 5.063 27.866 ( 0.000 4.678 3.244) 5.693 28.095 ( 0.000 3.279 -5.759) 6.627 28.202 ( 0.000 -9.292 11.160) 14.522 28.418 ( 0.000 -17.847 18.070) 25.397 28.435 ( 0.000 -6.408 -3.908) 7.506 28.547 ( 0.000 -4.552 18.051) 18.616 28.648 ( 0.000 -3.907 1.818) 4.309 28.924 ( 0.000 -6.628 -1.920) 6.900 29.019 ( 0.000 0.639 -3.105) 3.170 29.078 ( 0.000 2.079 0.361) 2.110 29.108 ( 0.000 1.714 0.774) 1.881 29.389 ( 0.000 -1.754 -1.358) 2.218 29.568 ( 0.000 -3.911 6.017) 7.176 29.571 ( 0.000 -7.837 -11.059) 13.555 29.892 ( 0.000 -9.635 2.187) 9.880 29.969 ( 0.000 -4.689 0.933) 4.781 30.010 ( 0.000 -14.796 2.545) 15.013 30.158 ( 0.000 -3.164 1.795) 3.638 30.262 ( 0.000 -2.078 -0.834) 2.240 31.228 ( 0.000 13.724 12.693) 18.694 31.698 ( 0.000 20.714 -20.131) 28.885 31.747 ( 0.000 0.664 -3.636) 3.696 32.401 ( 0.000 -9.380 1.590) 9.514 32.525 ( 0.000 1.771 5.056) 5.358 32.725 ( 0.000 -1.345 -2.220) 2.595 32.964 ( 0.000 -6.887 7.216) 9.975 33.068 ( 0.000 1.310 -3.954) 4.165 33.297 ( 0.000 2.283 -0.229) 2.295 33.344 ( 0.000 -5.489 -1.987) 5.837 33.444 ( 0.000 10.304 -6.797) 12.343 33.511 ( 0.000 9.097 0.006) 9.097 33.578 ( 0.000 3.825 2.903) 4.802 34.173 ( 0.000 9.585 -5.997) 11.306 34.498 ( 0.000 -3.014 2.402) 3.854 35.180 ( 0.000 8.402 -17.188) 19.132 ======================= Grid point 57 (22/64) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 11.290 24.490 27.286) 38.363 1.579 ( 19.888 24.947 26.724) 41.618 2.404 ( 19.251 42.381 29.400) 55.056 2.769 ( 15.939 -1.180 12.140) 20.070 2.867 ( -4.892 -0.391 -0.440) 4.927 2.970 ( -1.473 -1.476 0.893) 2.268 3.070 ( 11.385 2.999 7.437) 13.926 3.149 ( -5.117 -1.149 -1.155) 5.370 3.276 ( -11.512 -1.616 4.214) 12.365 3.355 ( 3.739 -2.930 -9.767) 10.861 3.447 ( 13.918 -6.920 4.067) 16.067 3.563 ( 0.119 -2.762 -7.117) 7.636 3.668 ( -3.665 -0.314 -4.499) 5.811 3.738 ( -2.810 -4.571 -6.851) 8.703 3.880 ( 5.014 -0.056 2.000) 5.399 4.105 ( 2.394 -2.566 2.523) 4.322 4.187 ( 1.741 1.345 -5.729) 6.137 4.347 ( -7.042 -6.126 6.743) 11.515 4.487 ( -1.298 -5.295 0.298) 5.460 4.590 ( 2.504 -4.950 2.474) 6.074 4.876 ( -0.388 -5.724 14.863) 15.931 4.922 ( -5.196 1.081 4.177) 6.754 5.013 ( 0.472 11.264 -3.706) 11.867 5.193 ( -0.183 -5.542 -3.173) 6.389 5.354 ( -12.223 8.944 0.945) 15.175 5.393 ( 0.251 -3.457 6.051) 6.974 5.731 ( 1.621 3.708 -12.330) 12.977 5.764 ( -0.854 10.088 -0.724) 10.150 5.925 ( 1.222 7.812 2.372) 8.255 6.073 ( 2.179 2.779 11.730) 12.250 6.327 ( -1.988 -2.837 2.359) 4.192 6.342 ( -2.410 -10.734 10.133) 14.957 6.816 ( 3.925 -2.030 -14.211) 14.882 6.959 ( -2.851 -10.005 -1.149) 10.467 7.005 ( 4.206 -5.142 2.976) 7.279 7.264 ( 10.110 -10.312 -7.380) 16.217 7.526 ( 0.384 -10.369 -1.466) 10.479 7.668 ( 1.966 -9.775 1.969) 10.164 7.875 ( 5.086 -10.732 9.452) 15.178 8.060 ( -13.616 13.930 -11.217) 22.478 8.117 ( -4.013 -2.452 3.378) 5.790 8.307 ( -5.607 -0.868 -13.860) 14.976 8.523 ( 2.744 -4.529 -2.858) 6.018 8.633 ( -5.209 3.659 -15.974) 17.196 8.732 ( -13.445 0.792 -9.419) 16.435 8.833 ( -19.856 -8.648 5.510) 22.347 9.074 ( 5.882 12.432 -6.590) 15.250 9.180 ( 5.084 19.289 -4.365) 20.420 9.565 ( 8.700 -14.555 -0.840) 16.978 9.716 ( -2.061 1.205 19.903) 20.046 9.937 ( 10.632 -0.692 11.098) 15.385 10.003 ( 4.608 8.851 13.571) 16.845 10.083 ( 4.372 0.892 13.669) 14.379 10.622 ( 6.619 -2.153 -20.118) 21.288 10.739 ( 2.774 -8.075 -5.672) 10.251 10.985 ( -3.347 -0.941 8.900) 9.555 11.075 ( -3.910 6.739 5.212) 9.374 11.223 ( -6.676 -5.313 -4.741) 9.761 11.524 ( 6.577 -7.393 1.569) 10.019 11.736 ( 5.578 -4.397 -9.725) 12.043 11.805 ( 2.460 0.090 -7.739) 8.121 11.876 ( 9.529 0.706 -2.341) 9.838 12.245 ( 2.297 -2.414 -2.385) 4.098 12.356 ( -4.800 -4.818 -0.146) 6.803 12.377 ( -1.485 4.449 10.147) 11.179 12.545 ( -6.058 6.923 1.005) 9.254 12.638 ( 6.590 1.691 8.434) 10.836 12.853 ( -5.862 -0.454 -6.369) 8.668 12.895 ( -0.853 4.199 -3.850) 5.760 13.250 ( -1.700 12.185 -7.145) 14.227 13.360 ( 3.475 8.430 -1.479) 9.237 13.423 ( -7.404 9.766 -4.540) 13.069 13.631 ( -5.072 7.663 2.053) 9.416 13.744 ( -11.219 14.537 17.825) 25.591 13.929 ( 6.376 5.321 0.267) 8.309 14.594 ( -5.701 -4.577 -6.494) 9.778 15.011 ( 2.429 -4.956 3.703) 6.646 15.199 ( 3.095 4.932 -1.771) 6.086 15.443 ( -6.723 -7.185 7.789) 12.549 15.683 ( -1.722 -8.249 -4.249) 9.438 15.814 ( -5.548 4.221 -0.273) 6.976 16.115 ( -2.526 -4.915 -3.599) 6.595 16.260 ( 4.550 2.936 -12.469) 13.594 16.348 ( 3.063 -12.600 -3.574) 13.450 16.863 ( 1.344 8.360 -2.972) 8.974 16.958 ( -5.043 -2.606 -4.518) 7.255 17.289 ( -1.020 7.774 0.506) 7.857 17.362 ( 2.935 -11.698 2.945) 12.415 17.492 ( -1.172 -6.688 2.253) 7.154 17.644 ( -2.041 -2.103 -3.042) 4.224 17.705 ( -0.560 -10.064 0.722) 10.105 17.813 ( -0.858 -8.674 3.053) 9.235 17.877 ( 2.473 0.114 -1.226) 2.763 17.947 ( -1.929 5.298 -2.480) 6.160 18.771 ( 4.785 -14.873 1.514) 15.697 18.859 ( 10.065 -7.166 -1.675) 12.469 19.473 ( 5.342 0.880 3.242) 6.311 20.120 ( 2.101 5.868 -8.699) 10.702 20.538 ( 4.832 19.300 -3.559) 20.211 20.821 ( -15.924 4.302 7.117) 17.964 21.069 ( -6.778 7.022 -3.586) 10.397 21.138 ( -6.755 6.518 0.785) 9.420 21.582 ( 10.729 -8.030 7.218) 15.221 22.162 ( -3.037 -8.376 -2.694) 9.308 23.168 ( 4.070 25.622 14.214) 29.582 23.974 ( -6.528 5.386 9.725) 12.892 24.969 ( 6.608 -0.936 -15.220) 16.619 25.153 ( 1.927 -3.994 -4.092) 6.034 25.419 ( -0.954 -7.020 6.284) 9.469 25.547 ( -1.422 5.649 -10.191) 11.738 25.954 ( 3.068 -2.968 -6.064) 7.416 26.065 ( 3.331 6.375 9.680) 12.060 26.189 ( -1.582 13.112 -2.852) 13.511 26.438 ( -3.244 1.148 -3.379) 4.823 26.875 ( 0.667 4.975 9.704) 10.926 27.185 ( 2.210 -7.734 1.260) 8.142 27.299 ( -0.014 2.103 3.178) 3.811 27.444 ( -0.650 -5.647 5.895) 8.189 27.470 ( -0.055 1.507 2.623) 3.026 27.657 ( -6.160 -3.353 7.478) 10.252 27.795 ( -0.568 5.286 0.862) 5.386 27.895 ( 1.328 3.789 3.736) 5.484 28.087 ( -1.006 4.879 -6.396) 8.107 28.158 ( -6.531 -3.288 5.827) 9.350 28.374 ( 0.533 -6.456 4.204) 7.722 28.536 ( 8.605 -12.103 0.380) 14.855 28.705 ( 7.132 -12.930 4.886) 15.554 28.919 ( 18.012 -6.441 -0.965) 19.153 28.945 ( 1.605 -4.766 -1.740) 5.321 29.043 ( 1.936 -1.477 -1.053) 2.653 29.092 ( 1.456 0.792 -0.194) 1.669 29.101 ( 0.117 0.857 0.209) 0.890 29.375 ( -1.156 -2.069 -1.168) 2.642 29.554 ( -0.179 -6.330 -8.493) 10.594 29.634 ( 3.551 -10.368 0.491) 10.970 29.852 ( -3.511 -10.642 0.943) 11.246 29.957 ( -1.769 -2.714 -0.250) 3.250 30.003 ( -0.358 -10.218 1.037) 10.276 30.137 ( -1.166 -5.604 3.631) 6.779 30.266 ( 0.181 -2.046 -1.042) 2.303 31.311 ( 7.913 12.897 11.378) 18.931 31.562 ( -8.063 19.631 -10.547) 23.698 31.733 ( -4.768 5.949 -5.418) 9.353 32.341 ( -5.940 -4.050 3.298) 7.910 32.477 ( -3.812 1.648 3.660) 5.536 32.770 ( 3.394 1.824 -3.475) 5.189 32.879 ( -8.647 -3.804 5.165) 10.766 33.007 ( -5.132 3.046 1.246) 6.096 33.151 ( -1.315 -3.904 -3.410) 5.348 33.257 ( -3.325 0.781 2.886) 4.472 33.347 ( -5.314 3.756 -7.601) 10.006 33.598 ( -2.032 3.682 1.466) 4.454 33.647 ( 6.176 11.058 4.092) 13.311 34.143 ( -3.402 12.961 -3.678) 13.896 34.571 ( 7.204 -4.854 0.662) 8.712 35.274 ( 2.713 -3.745 -16.488) 17.124 ======================= Grid point 58 (23/64) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 20.381 9.196 20.150) 30.099 2.047 ( 23.254 14.517 17.159) 32.341 2.593 ( -1.321 12.949 5.857) 14.273 2.701 ( -11.696 -2.176 6.424) 13.520 2.843 ( -8.026 0.758 3.748) 8.890 2.964 ( -5.834 -1.458 -0.798) 6.067 3.097 ( -2.581 2.231 4.207) 5.417 3.199 ( 0.276 0.696 -0.510) 0.906 3.350 ( 10.308 2.886 4.175) 11.490 3.458 ( 7.488 -1.169 -0.292) 7.584 3.518 ( 3.485 -1.071 -0.566) 3.689 3.617 ( -0.440 3.040 -5.480) 6.283 3.745 ( 10.789 -8.114 5.121) 14.438 3.783 ( 12.383 -7.384 -3.047) 14.736 3.995 ( 6.639 -6.388 -5.561) 10.761 4.163 ( 2.208 -0.326 0.770) 2.361 4.254 ( 0.148 -9.375 8.655) 12.760 4.314 ( 10.706 4.803 0.731) 11.757 4.442 ( -3.285 -2.161 0.324) 3.945 4.617 ( -3.259 -4.541 8.448) 10.130 4.716 ( -15.510 3.908 7.783) 17.788 4.913 ( 5.893 10.799 -3.758) 12.864 5.006 ( -0.690 9.655 -0.750) 9.709 5.099 ( -5.813 6.644 -3.480) 9.489 5.209 ( 0.458 8.517 10.720) 13.699 5.484 ( 5.455 -5.312 3.078) 8.213 5.706 ( -4.186 -5.367 1.389) 6.947 5.745 ( -1.604 16.500 3.539) 16.951 5.952 ( 0.506 4.052 -5.941) 7.209 5.998 ( -4.670 6.148 8.989) 11.850 6.139 ( -5.791 2.652 -0.809) 6.421 6.478 ( -3.685 -25.014 -6.500) 26.106 6.794 ( 2.867 -13.411 3.125) 14.066 7.002 ( 2.773 -7.746 -1.987) 8.464 7.114 ( 6.688 5.167 0.455) 8.463 7.412 ( -0.527 -9.193 -5.999) 10.990 7.570 ( 4.912 -8.431 0.246) 9.760 7.672 ( -0.219 5.905 -7.031) 9.184 7.857 ( -2.163 -4.518 2.156) 5.453 7.953 ( 0.309 -5.371 2.997) 6.159 8.041 ( -5.318 -4.259 5.852) 8.981 8.177 ( -4.607 -1.932 -1.348) 5.174 8.404 ( -14.713 -7.264 -2.219) 16.558 8.458 ( -11.065 -12.273 0.720) 16.541 8.552 ( -0.870 1.324 -5.174) 5.411 8.575 ( -3.912 12.384 -5.553) 14.124 9.175 ( 3.457 20.614 -5.238) 21.548 9.292 ( 4.055 9.610 -4.450) 11.340 9.627 ( -2.379 -2.469 10.351) 10.905 9.692 ( 2.278 -12.454 0.223) 12.663 10.057 ( 4.423 -1.232 7.119) 8.471 10.134 ( 2.649 2.984 9.682) 10.472 10.282 ( 13.704 -0.319 3.113) 14.057 10.675 ( -3.643 -7.940 -9.271) 12.739 10.802 ( 1.760 -4.043 -0.811) 4.484 10.878 ( -3.153 -6.268 6.863) 9.815 11.093 ( 8.312 3.874 -8.596) 12.570 11.286 ( 9.398 11.243 -5.321) 15.590 11.571 ( -5.424 -0.228 -13.628) 14.669 11.708 ( -6.975 6.176 -8.629) 12.699 11.917 ( 10.271 -5.789 2.501) 12.052 12.057 ( 5.792 -1.306 -0.310) 5.945 12.260 ( -2.840 -0.902 -3.549) 4.634 12.310 ( 2.014 -7.949 2.857) 8.684 12.388 ( 1.479 -6.197 5.348) 8.318 12.515 ( -0.253 4.598 -1.538) 4.856 12.638 ( -6.701 2.202 5.413) 8.891 12.747 ( 3.649 2.445 3.612) 5.687 12.981 ( 7.107 5.702 -3.459) 9.746 13.181 ( -4.726 13.784 -7.401) 16.344 13.224 ( -10.284 14.281 -4.899) 18.267 13.455 ( 3.830 8.425 -3.117) 9.766 13.478 ( -13.404 14.201 13.795) 23.909 13.555 ( -2.583 9.723 1.904) 10.239 14.062 ( 7.097 -0.116 -3.561) 7.941 14.436 ( -9.410 -5.838 -7.124) 13.167 15.055 ( 2.680 -5.730 4.922) 8.015 15.283 ( -6.043 -5.452 5.580) 9.868 15.305 ( 4.434 4.281 2.548) 6.669 15.595 ( -7.003 1.408 2.967) 7.735 15.760 ( 1.817 -4.581 -3.938) 6.308 16.026 ( -6.647 -7.262 -3.454) 10.433 16.338 ( 3.144 -0.419 -11.184) 11.625 16.398 ( 1.196 -9.972 -5.449) 11.426 16.861 ( -0.565 2.718 -2.437) 3.694 16.911 ( -0.424 5.609 -1.820) 5.912 17.280 ( 0.984 6.285 3.428) 7.227 17.410 ( -1.075 -2.027 1.041) 2.520 17.467 ( 1.309 -6.156 2.885) 6.924 17.596 ( -2.782 -0.889 -1.748) 3.403 17.718 ( 1.527 -8.879 0.406) 9.019 17.789 ( -1.473 -8.778 2.895) 9.360 17.914 ( 1.107 -1.237 -1.623) 2.322 17.927 ( -0.271 0.785 -1.059) 1.346 18.877 ( 5.308 -17.416 0.129) 18.207 18.988 ( 2.175 -13.197 -2.449) 13.598 19.655 ( 12.448 3.621 4.108) 13.599 20.181 ( -0.381 5.509 -7.485) 9.301 20.484 ( -8.270 6.174 8.021) 13.071 20.667 ( 3.881 17.434 -2.630) 18.053 20.873 ( -12.725 9.647 -0.588) 15.980 20.958 ( -8.598 11.242 -0.985) 14.187 21.794 ( 9.660 -9.074 2.888) 13.564 22.086 ( -4.593 -9.689 -2.057) 10.918 23.310 ( 9.752 21.476 13.644) 27.249 23.791 ( -11.072 10.881 10.203) 18.576 25.090 ( 4.674 -10.429 -7.300) 13.561 25.195 ( 0.972 -5.292 -7.509) 9.238 25.409 ( 0.952 1.286 -2.373) 2.862 25.510 ( -2.125 7.965 -13.430) 15.758 26.038 ( 4.996 -2.823 -2.199) 6.145 26.146 ( 4.321 6.319 8.725) 11.607 26.201 ( 1.086 6.595 8.621) 10.909 26.362 ( -4.292 1.257 -1.367) 4.676 26.922 ( 5.010 3.311 4.943) 7.778 27.218 ( -1.772 -3.700 2.692) 4.907 27.308 ( 2.220 0.185 5.345) 5.790 27.410 ( -2.289 -2.475 6.434) 7.264 27.476 ( 0.357 2.096 4.215) 4.721 27.580 ( -3.137 -1.205 9.354) 9.940 27.788 ( 1.681 1.570 0.408) 2.336 27.948 ( 3.289 4.053 -0.095) 5.221 28.026 ( -6.215 -2.183 1.711) 6.806 28.064 ( -1.421 5.197 -4.506) 7.024 28.424 ( 4.658 -7.873 5.668) 10.761 28.615 ( -0.472 -4.625 -0.720) 4.705 28.902 ( 9.610 -17.352 -1.643) 19.903 28.971 ( 1.089 -0.817 -0.877) 1.619 29.037 ( -1.279 0.381 -0.424) 1.401 29.086 ( 0.767 -7.736 -0.264) 7.779 29.147 ( 3.345 -1.800 -0.502) 3.831 29.212 ( 5.562 -2.608 -1.397) 6.301 29.374 ( 3.080 -2.053 -1.154) 3.877 29.564 ( 1.467 -8.445 -5.709) 10.299 29.652 ( -2.209 -10.888 -7.321) 13.305 29.773 ( -3.900 -11.637 -4.078) 12.933 29.912 ( -1.760 -1.154 0.257) 2.120 29.971 ( -3.114 0.167 -0.266) 3.130 30.157 ( 3.186 -9.335 3.038) 10.321 30.261 ( -0.881 -2.817 -1.199) 3.185 31.429 ( -1.475 19.395 -2.947) 19.673 31.542 ( 6.374 8.274 5.416) 11.765 31.605 ( -0.992 11.150 2.451) 11.459 32.163 ( -11.794 3.818 3.591) 12.906 32.419 ( -0.523 1.405 1.178) 1.907 32.664 ( -10.778 -0.662 1.261) 10.871 32.853 ( 5.367 4.737 -8.125) 10.828 33.040 ( 4.719 -1.688 -0.353) 5.024 33.141 ( -2.455 -6.075 -2.092) 6.878 33.207 ( -0.676 -7.033 1.320) 7.188 33.267 ( -1.396 -1.303 0.102) 1.912 33.481 ( -7.655 0.751 3.994) 8.667 33.781 ( 6.375 16.119 2.345) 17.492 34.039 ( -6.215 15.929 -1.007) 17.128 34.766 ( 11.186 -5.868 -2.196) 12.821 35.211 ( -7.829 -7.398 -10.471) 15.022 ======================= Grid point 59 (24/64) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -23.485 -3.597 13.405) 27.280 2.129 ( 23.485 -3.597 13.405) 27.280 2.527 ( -13.659 8.261 5.546) 16.899 2.527 ( 13.659 8.261 5.546) 16.899 2.827 ( -6.093 3.375 4.988) 8.567 2.827 ( 6.093 3.375 4.988) 8.567 3.092 ( -3.054 -0.222 -2.285) 3.820 3.092 ( 3.054 -0.222 -2.285) 3.820 3.504 ( -4.639 -1.791 -1.051) 5.083 3.504 ( 4.639 -1.791 -1.051) 5.083 3.584 ( -3.779 0.142 -0.554) 3.822 3.584 ( 3.779 0.142 -0.554) 3.822 3.909 ( -4.036 -8.672 0.483) 9.577 3.909 ( 4.036 -8.672 0.483) 9.577 4.191 ( -9.749 0.637 1.055) 9.827 4.191 ( 9.749 0.637 1.055) 9.827 4.325 ( -7.766 -3.832 -0.437) 8.671 4.325 ( 7.766 -3.832 -0.437) 8.671 4.502 ( -1.876 0.391 3.974) 4.412 4.502 ( 1.876 0.391 3.974) 4.412 4.716 ( -23.383 9.312 8.806) 26.665 4.716 ( 23.383 9.312 8.806) 26.665 4.987 ( -1.443 9.219 -1.621) 9.471 4.987 ( 1.443 9.219 -1.621) 9.471 5.552 ( -18.509 9.400 5.235) 21.409 5.552 ( 18.509 9.400 5.235) 21.409 5.622 ( -8.966 -2.493 -1.255) 9.390 5.622 ( 8.966 -2.493 -1.255) 9.390 5.881 ( -2.065 10.697 10.003) 14.790 5.881 ( 2.065 10.697 10.003) 14.790 6.255 ( -11.970 -14.644 -12.817) 22.847 6.255 ( 11.970 -14.644 -12.817) 22.847 6.960 ( -7.249 -14.342 4.282) 16.631 6.960 ( 7.249 -14.342 4.282) 16.631 7.278 ( -8.966 2.482 -2.268) 9.575 7.278 ( 8.966 2.482 -2.268) 9.575 7.652 ( -4.439 4.373 1.276) 6.360 7.652 ( 4.439 4.373 1.276) 6.360 7.885 ( -5.495 -10.377 0.902) 11.777 7.885 ( 5.495 -10.377 0.902) 11.777 8.073 ( -8.655 -7.120 -2.266) 11.434 8.073 ( 8.655 -7.120 -2.266) 11.434 8.288 ( -5.296 -9.427 3.426) 11.342 8.288 ( 5.296 -9.427 3.426) 11.342 8.539 ( -0.786 9.151 -3.647) 9.882 8.539 ( 0.786 9.151 -3.647) 9.882 9.262 ( -4.880 17.399 -1.252) 18.114 9.262 ( 4.880 17.399 -1.252) 18.114 9.668 ( -3.985 -13.499 -0.680) 14.092 9.668 ( 3.985 -13.499 -0.680) 14.092 10.132 ( -2.436 2.558 6.158) 7.099 10.132 ( 2.436 2.558 6.158) 7.099 10.526 ( -9.947 -5.854 -0.976) 11.583 10.526 ( 9.947 -5.854 -0.976) 11.583 10.833 ( -1.960 -3.361 5.442) 6.690 10.833 ( 1.960 -3.361 5.442) 6.690 11.354 ( -13.491 5.052 -15.804) 21.384 11.354 ( 13.491 5.052 -15.804) 21.384 11.510 ( -11.067 10.217 -8.540) 17.315 11.510 ( 11.067 10.217 -8.540) 17.315 12.085 ( -2.777 -5.863 0.941) 6.555 12.085 ( 2.777 -5.863 0.941) 6.555 12.295 ( -8.359 -4.244 -3.615) 10.048 12.295 ( 8.359 -4.244 -3.615) 10.048 12.392 ( -4.880 -7.746 8.387) 12.416 12.392 ( 4.880 -7.746 8.387) 12.416 12.746 ( -5.920 4.348 0.874) 7.396 12.746 ( 5.920 4.348 0.874) 7.396 13.080 ( -2.322 14.653 -6.434) 16.171 13.080 ( 2.322 14.653 -6.434) 16.171 13.208 ( -10.896 11.242 5.795) 16.694 13.208 ( 10.896 11.242 5.795) 16.694 13.519 ( -1.699 11.869 -0.050) 11.990 13.519 ( 1.699 11.869 -0.050) 11.990 14.234 ( -9.749 -5.379 -6.247) 12.767 14.234 ( 9.749 -5.379 -6.247) 12.767 15.141 ( -5.866 -6.193 5.587) 10.197 15.141 ( 5.866 -6.193 5.587) 10.197 15.443 ( -7.393 5.269 3.683) 9.797 15.443 ( 7.393 5.269 3.683) 9.797 15.867 ( -7.717 -7.102 -3.697) 11.120 15.867 ( 7.717 -7.102 -3.697) 11.120 16.390 ( -1.762 -6.141 -8.167) 10.369 16.390 ( 1.762 -6.141 -8.167) 10.369 16.882 ( -2.024 5.708 -1.114) 6.158 16.882 ( 2.024 5.708 -1.114) 6.158 17.338 ( -4.117 2.255 2.471) 5.305 17.338 ( 4.117 2.255 2.471) 5.305 17.531 ( -3.516 -2.503 0.504) 4.345 17.531 ( 3.516 -2.503 0.504) 4.345 17.755 ( -1.855 -8.873 1.674) 9.218 17.755 ( 1.855 -8.873 1.674) 9.218 17.925 ( -0.157 -1.193 -1.515) 1.934 17.925 ( 0.157 -1.193 -1.515) 1.934 18.969 ( -3.271 -16.695 -1.458) 17.074 18.969 ( 3.271 -16.695 -1.458) 17.074 19.956 ( -16.067 5.308 2.130) 17.054 19.956 ( 16.067 5.308 2.130) 17.054 20.578 ( -12.216 5.165 0.863) 13.291 20.578 ( 12.216 5.165 0.863) 13.291 20.802 ( -6.591 18.537 -2.066) 19.782 20.802 ( 6.591 18.537 -2.066) 19.782 21.967 ( -7.183 -9.970 -0.064) 12.288 21.967 ( 7.183 -9.970 -0.064) 12.288 23.544 ( -12.550 16.384 11.915) 23.831 23.544 ( 12.550 16.384 11.915) 23.831 25.167 ( -3.038 -11.680 -4.084) 12.741 25.167 ( 3.038 -11.680 -4.084) 12.741 25.458 ( -2.970 8.248 -13.236) 15.876 25.458 ( 2.970 8.248 -13.236) 15.876 26.143 ( -4.496 -0.687 4.103) 6.125 26.143 ( 4.496 -0.687 4.103) 6.125 26.266 ( -5.089 5.154 6.451) 9.699 26.266 ( 5.089 5.154 6.451) 9.699 27.082 ( -9.325 1.727 1.114) 9.549 27.082 ( 9.325 1.727 1.114) 9.549 27.373 ( -2.294 -2.980 7.884) 8.735 27.373 ( 2.294 -2.980 7.884) 8.735 27.502 ( -3.170 2.647 8.391) 9.353 27.502 ( 3.170 2.647 8.391) 9.353 27.883 ( -6.507 -2.577 -0.357) 7.008 27.883 ( 6.507 -2.577 -0.357) 7.008 28.023 ( -2.739 5.641 -3.141) 7.014 28.023 ( 2.739 5.641 -3.141) 7.014 28.542 ( -5.856 -6.917 3.069) 9.568 28.542 ( 5.856 -6.917 3.069) 9.568 28.993 ( -1.172 1.013 -0.352) 1.588 28.993 ( 1.172 1.013 -0.352) 1.588 29.057 ( -3.779 -13.539 -2.132) 14.217 29.057 ( 3.779 -13.539 -2.132) 14.217 29.212 ( -2.727 -3.003 0.368) 4.073 29.212 ( 2.727 -3.003 0.368) 4.073 29.506 ( -7.171 -5.288 -2.118) 9.158 29.506 ( 7.171 -5.288 -2.118) 9.158 29.681 ( -5.031 -10.424 -9.912) 15.239 29.681 ( 5.031 -10.424 -9.912) 15.239 29.911 ( -1.830 0.661 1.067) 2.220 29.911 ( 1.830 0.661 1.067) 2.220 30.225 ( -2.722 -5.611 -0.386) 6.248 30.225 ( 2.722 -5.611 -0.386) 6.248 31.453 ( -4.096 13.602 0.219) 14.207 31.453 ( 4.096 13.602 0.219) 14.207 31.875 ( -15.636 8.237 5.706) 18.572 31.875 ( 15.636 8.237 5.706) 18.572 32.480 ( -6.453 0.839 -0.469) 6.524 32.480 ( 6.453 0.839 -0.469) 6.524 32.986 ( -7.056 3.925 -9.245) 12.275 32.986 ( 7.056 3.925 -9.245) 12.275 33.177 ( -3.402 -12.320 3.803) 13.335 33.177 ( 3.402 -12.320 3.803) 13.335 33.324 ( -6.613 -0.736 3.487) 7.512 33.324 ( 6.613 -0.736 3.487) 7.512 33.909 ( -6.330 17.305 0.942) 18.451 33.909 ( 6.330 17.305 0.942) 18.451 35.004 ( -11.624 -6.784 -5.687) 14.611 35.004 ( 11.624 -6.784 -5.687) 14.611 ======================= Grid point 63 (25/64) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.000 26.507 20.300) 33.387 2.050 ( 0.000 31.937 18.748) 37.033 2.519 ( 0.000 -4.958 14.629) 15.446 2.847 ( 0.000 2.789 16.070) 16.310 2.900 ( 0.000 -1.353 -4.714) 4.904 2.986 ( 0.000 -3.884 -6.777) 7.811 3.061 ( 0.000 -12.898 4.330) 13.605 3.268 ( 0.000 -7.203 4.125) 8.301 3.276 ( 0.000 0.901 -0.091) 0.905 3.348 ( 0.000 -6.458 -15.812) 17.080 3.403 ( 0.000 34.706 9.235) 35.914 3.555 ( 0.000 28.023 14.381) 31.498 3.641 ( 0.000 -2.293 -6.510) 6.902 3.653 ( 0.000 -8.112 -8.902) 12.044 3.959 ( 0.000 -2.347 12.966) 13.177 4.076 ( 0.000 2.630 6.805) 7.295 4.163 ( 0.000 -8.871 -7.927) 11.897 4.294 ( 0.000 8.872 17.110) 19.274 4.389 ( 0.000 -10.206 3.319) 10.732 4.481 ( 0.000 -14.024 9.326) 16.842 4.570 ( 0.000 1.529 2.538) 2.963 4.947 ( 0.000 -6.204 9.211) 11.105 5.058 ( 0.000 0.988 -5.229) 5.321 5.079 ( 0.000 0.906 -0.929) 1.298 5.487 ( 0.000 15.911 -3.805) 16.360 5.634 ( 0.000 -8.986 2.212) 9.254 5.672 ( 0.000 -8.198 -1.592) 8.351 5.876 ( 0.000 6.955 1.227) 7.062 6.053 ( 0.000 6.274 -6.309) 8.897 6.133 ( 0.000 0.036 0.312) 0.314 6.321 ( 0.000 9.057 2.950) 9.525 6.493 ( 0.000 -5.335 0.505) 5.359 6.607 ( 0.000 -6.321 -10.166) 11.971 6.685 ( 0.000 -8.678 -12.091) 14.882 6.868 ( 0.000 0.660 1.913) 2.023 7.159 ( 0.000 2.372 1.926) 3.055 7.302 ( 0.000 -12.721 4.478) 13.486 7.476 ( 0.000 -7.462 9.872) 12.374 7.510 ( 0.000 -4.706 8.205) 9.458 8.134 ( 0.000 -0.747 4.141) 4.208 8.137 ( 0.000 -11.081 -14.949) 18.608 8.216 ( 0.000 -14.276 -4.176) 14.874 8.566 ( 0.000 -10.147 -17.947) 20.617 8.590 ( 0.000 -0.606 -21.455) 21.463 8.956 ( 0.000 -5.335 -9.164) 10.604 8.989 ( 0.000 -3.547 -6.738) 7.615 9.139 ( 0.000 11.296 -6.202) 12.887 9.338 ( 0.000 -0.782 16.045) 16.064 9.430 ( 0.000 21.674 -0.759) 21.688 9.754 ( 0.000 11.220 -3.095) 11.639 10.081 ( 0.000 5.043 10.621) 11.758 10.161 ( 0.000 19.336 17.599) 26.146 10.256 ( 0.000 11.727 19.785) 22.999 10.475 ( 0.000 -11.132 4.363) 11.956 10.577 ( 0.000 3.587 -16.953) 17.328 10.797 ( 0.000 -15.920 4.545) 16.556 11.053 ( 0.000 -17.027 -7.125) 18.458 11.127 ( 0.000 -17.025 7.108) 18.450 11.442 ( 0.000 11.746 1.469) 11.837 11.634 ( 0.000 0.816 8.781) 8.819 11.642 ( 0.000 -0.483 3.654) 3.686 11.743 ( 0.000 -6.029 -8.301) 10.260 12.243 ( 0.000 4.605 1.929) 4.993 12.315 ( 0.000 -2.308 -2.140) 3.147 12.444 ( 0.000 -0.287 0.836) 0.884 12.487 ( 0.000 -1.991 5.215) 5.582 12.848 ( 0.000 7.363 -8.764) 11.447 12.979 ( 0.000 5.023 -3.677) 6.226 12.989 ( 0.000 0.603 -4.302) 4.344 13.218 ( 0.000 -4.598 -12.347) 13.176 13.695 ( 0.000 10.271 6.327) 12.063 13.720 ( 0.000 14.533 6.863) 16.072 13.845 ( 0.000 10.158 -2.614) 10.489 14.098 ( 0.000 11.890 -12.017) 16.905 14.260 ( 0.000 16.877 12.923) 21.257 14.551 ( 0.000 -4.193 3.658) 5.564 14.947 ( 0.000 1.119 -0.300) 1.159 15.207 ( 0.000 -3.442 -2.189) 4.079 15.350 ( 0.000 -7.232 7.135) 10.159 15.478 ( 0.000 -11.277 -1.222) 11.343 15.983 ( 0.000 3.641 -0.848) 3.738 16.060 ( 0.000 -7.828 -0.213) 7.831 16.134 ( 0.000 2.145 -8.030) 8.311 16.247 ( 0.000 1.448 -13.469) 13.546 16.953 ( 0.000 -7.909 -2.036) 8.167 16.985 ( 0.000 -1.259 -4.613) 4.782 16.988 ( 0.000 -6.111 -1.292) 6.246 17.287 ( 0.000 -11.794 -5.129) 12.861 17.342 ( 0.000 -4.268 2.003) 4.714 17.491 ( 0.000 -9.359 -0.567) 9.377 17.593 ( 0.000 6.181 5.036) 7.972 17.703 ( 0.000 1.823 4.684) 5.026 17.874 ( 0.000 -0.845 -0.127) 0.855 18.215 ( 0.000 12.109 -11.871) 16.957 18.333 ( 0.000 -20.699 1.702) 20.769 18.677 ( 0.000 -6.339 -4.844) 7.978 19.553 ( 0.000 12.420 5.740) 13.683 20.083 ( 0.000 -7.179 -1.396) 7.314 20.955 ( 0.000 22.593 -1.532) 22.645 21.003 ( 0.000 -3.472 5.276) 6.316 21.214 ( 0.000 -4.462 8.047) 9.202 21.327 ( 0.000 10.952 -0.726) 10.976 21.431 ( 0.000 7.386 4.003) 8.401 21.977 ( 0.000 -14.659 -4.474) 15.327 23.760 ( 0.000 30.460 12.526) 32.935 24.144 ( 0.000 8.683 6.797) 11.027 24.679 ( 0.000 -17.046 -3.808) 17.466 24.976 ( 0.000 -18.549 9.935) 21.042 25.498 ( 0.000 17.613 -15.395) 23.392 25.656 ( 0.000 4.936 -9.019) 10.281 25.839 ( 0.000 -4.380 -7.812) 8.956 26.198 ( 0.000 -8.826 -7.696) 11.710 26.218 ( 0.000 10.912 11.811) 16.080 26.740 ( 0.000 4.446 -11.847) 12.654 26.935 ( 0.000 -3.614 0.559) 3.657 27.017 ( 0.000 7.895 9.803) 12.587 27.320 ( 0.000 -6.329 11.591) 13.206 27.325 ( 0.000 -1.122 0.484) 1.222 27.518 ( 0.000 2.357 2.301) 3.294 27.733 ( 0.000 -6.662 10.030) 12.041 27.758 ( 0.000 -1.842 2.678) 3.251 27.924 ( 0.000 -6.885 14.645) 16.183 28.041 ( 0.000 10.669 -0.514) 10.681 28.212 ( 0.000 -0.161 -1.739) 1.746 28.273 ( 0.000 4.603 -1.088) 4.730 28.279 ( 0.000 -7.099 -1.999) 7.375 28.555 ( 0.000 -5.235 -1.073) 5.344 28.691 ( 0.000 12.319 6.145) 13.766 28.696 ( 0.000 -14.422 -3.062) 14.743 29.055 ( 0.000 2.652 -2.693) 3.780 29.134 ( 0.000 2.885 -0.028) 2.885 29.139 ( 0.000 0.901 0.747) 1.171 29.341 ( 0.000 -2.508 -0.434) 2.545 29.424 ( 0.000 -5.772 -5.275) 7.819 29.574 ( 0.000 0.240 -1.078) 1.104 29.619 ( 0.000 -17.844 3.557) 18.195 29.644 ( 0.000 -9.642 1.440) 9.749 29.860 ( 0.000 -7.349 -2.422) 7.738 30.108 ( 0.000 -1.469 0.448) 1.535 30.179 ( 0.000 -4.672 -0.546) 4.704 31.568 ( 0.000 17.609 10.522) 20.513 31.830 ( 0.000 6.925 -3.231) 7.642 31.984 ( 0.000 7.121 -12.032) 13.982 32.215 ( 0.000 -10.178 4.090) 10.969 32.565 ( 0.000 1.741 2.962) 3.435 32.649 ( 0.000 -4.579 -1.083) 4.706 32.854 ( 0.000 -1.835 7.483) 7.705 33.096 ( 0.000 -4.110 -5.101) 6.550 33.235 ( 0.000 0.566 -0.866) 1.035 33.373 ( 0.000 2.413 -7.930) 8.289 33.610 ( 0.000 9.425 2.797) 9.831 33.692 ( 0.000 6.864 -1.163) 6.962 33.717 ( 0.000 6.076 -3.668) 7.097 34.163 ( 0.000 -10.462 -7.154) 12.674 34.635 ( 0.000 14.788 4.063) 15.336 35.170 ( 0.000 -6.836 -7.232) 9.951 ======================= Grid point 64 (26/64) ======================= q-point: ( 0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 7.159 27.579 16.600) 32.976 2.153 ( 10.536 28.104 16.390) 34.197 2.683 ( 10.777 -3.354 7.160) 13.366 2.881 ( -3.079 1.737 -1.933) 4.029 2.934 ( -3.119 -1.580 -1.122) 3.672 3.008 ( 13.966 -3.601 13.060) 19.457 3.044 ( -5.736 -9.640 2.130) 11.417 3.162 ( -1.740 -2.875 -0.287) 3.373 3.296 ( -0.217 -9.772 -0.935) 9.819 3.355 ( -0.565 3.506 -9.647) 10.280 3.430 ( -1.439 2.828 5.595) 6.433 3.483 ( -0.861 15.725 -0.619) 15.760 3.617 ( 0.580 11.896 12.296) 17.118 3.655 ( 2.496 -6.456 -5.682) 8.955 3.844 ( -5.919 0.555 7.379) 9.476 4.095 ( -4.920 -7.061 3.297) 9.216 4.118 ( 1.878 -1.717 5.720) 6.260 4.300 ( 3.872 6.738 0.735) 7.806 4.467 ( 7.264 1.122 11.457) 13.612 4.544 ( -1.391 1.328 5.285) 5.624 4.664 ( 9.126 -10.842 9.382) 16.996 5.000 ( 4.815 -3.663 3.758) 7.122 5.094 ( 3.487 4.949 -3.993) 7.252 5.188 ( 6.935 0.578 -0.519) 6.978 5.467 ( -1.801 12.806 -3.760) 13.467 5.521 ( -11.197 1.801 4.941) 12.371 5.736 ( 0.137 -2.398 -3.526) 4.267 5.775 ( 3.051 -4.481 -2.886) 6.141 6.030 ( -8.745 -2.536 -4.437) 10.129 6.183 ( 6.484 7.148 2.163) 9.890 6.366 ( -0.510 7.668 1.591) 7.848 6.400 ( -7.055 5.650 -0.567) 9.056 6.579 ( -4.228 -3.647 1.367) 5.748 6.647 ( 2.058 -17.303 -3.035) 17.687 6.907 ( 4.201 -8.622 -6.265) 11.456 7.229 ( 5.139 3.268 2.147) 6.457 7.311 ( 2.145 -8.903 1.146) 9.229 7.457 ( -1.630 -6.677 4.207) 8.059 7.608 ( 7.379 -10.216 10.291) 16.270 8.041 ( -8.473 -11.753 6.736) 15.978 8.102 ( -6.963 -15.837 -9.404) 19.691 8.188 ( -2.794 -2.723 -11.198) 11.858 8.484 ( 2.982 6.824 -16.198) 17.828 8.584 ( -7.297 -2.841 -16.239) 18.028 8.715 ( -18.866 -0.604 -5.463) 19.650 8.949 ( -7.523 9.951 -2.782) 12.781 9.145 ( 8.530 -5.913 -5.623) 11.804 9.457 ( 0.172 2.099 4.497) 4.966 9.544 ( 12.580 10.822 -0.547) 16.603 9.751 ( -0.841 10.150 -0.454) 10.195 10.046 ( -3.145 9.556 14.750) 17.854 10.184 ( 0.203 7.933 14.543) 16.567 10.287 ( 6.186 12.976 8.507) 16.704 10.543 ( 5.872 -9.335 3.363) 11.530 10.643 ( 4.766 6.094 -12.709) 14.878 10.806 ( -1.788 -10.488 6.178) 12.303 10.876 ( -4.305 -16.489 -0.339) 17.045 11.301 ( 7.365 -14.059 -4.705) 16.554 11.417 ( 1.535 8.011 0.739) 8.190 11.608 ( 3.136 -4.988 8.171) 10.074 11.757 ( 2.069 -3.188 -2.100) 4.342 11.856 ( 8.401 -3.013 1.145) 8.998 12.226 ( -1.146 2.334 -4.515) 5.210 12.282 ( -1.514 -0.013 -1.878) 2.412 12.418 ( -0.271 2.831 -3.536) 4.538 12.572 ( 3.759 -3.314 5.964) 7.790 12.812 ( -4.492 5.371 1.727) 7.212 12.877 ( -8.403 1.252 -4.662) 9.691 13.007 ( 3.373 6.987 -7.047) 10.481 13.296 ( 7.187 -4.002 -9.541) 12.597 13.629 ( -4.373 12.837 -0.077) 13.562 13.671 ( -4.853 13.388 6.748) 15.758 13.841 ( -0.764 12.154 -1.321) 12.249 14.104 ( -2.791 13.087 -3.360) 13.797 14.173 ( -5.908 13.915 4.675) 15.823 14.488 ( -6.162 -3.450 2.303) 7.428 14.947 ( 0.127 -0.106 0.998) 1.012 15.239 ( 2.652 -4.109 -0.869) 4.967 15.281 ( -4.936 -6.319 6.502) 10.324 15.448 ( -2.301 -12.022 -0.798) 12.266 15.923 ( -4.159 4.696 0.056) 6.273 16.054 ( -5.083 0.978 -6.880) 8.610 16.120 ( 3.020 -6.570 -1.688) 7.425 16.293 ( 2.007 -1.888 -12.445) 12.747 16.907 ( -1.514 -3.645 -1.637) 4.273 16.941 ( -0.714 -0.082 -2.515) 2.615 17.112 ( 6.113 -9.535 -0.962) 11.367 17.304 ( 0.846 -10.856 -3.407) 11.410 17.372 ( 2.300 -5.273 1.087) 5.854 17.510 ( 1.763 -5.298 -0.936) 5.662 17.604 ( 0.858 6.709 5.112) 8.478 17.689 ( -0.577 0.996 3.894) 4.061 17.875 ( -0.050 -1.923 -1.067) 2.200 18.161 ( -4.649 12.882 -9.323) 16.567 18.373 ( 3.770 -20.557 0.995) 20.924 18.701 ( 1.176 -10.239 -5.779) 11.816 19.620 ( 6.676 12.468 5.988) 15.358 20.126 ( 4.331 -5.578 -1.183) 7.161 20.840 ( -12.986 0.907 7.343) 14.945 20.977 ( -0.067 13.511 -2.058) 13.667 21.172 ( -3.468 3.364 5.950) 7.664 21.315 ( -1.146 12.697 -0.869) 12.778 21.515 ( 6.524 1.826 3.191) 7.488 21.948 ( -2.641 -13.367 -4.600) 14.381 23.763 ( 0.939 29.136 12.299) 31.639 24.131 ( -1.511 10.618 6.657) 12.623 24.702 ( 2.059 -17.785 -2.911) 18.139 24.959 ( -1.813 -19.434 8.990) 21.489 25.544 ( 3.986 17.038 -16.639) 24.146 25.662 ( 0.548 5.445 -9.405) 10.881 25.870 ( 2.727 -4.492 -8.132) 9.682 26.187 ( -1.197 -8.548 -8.007) 11.773 26.256 ( 3.671 11.505 12.802) 17.599 26.704 ( -3.282 14.198 -7.244) 16.274 26.949 ( 1.430 -9.127 4.779) 10.401 27.012 ( -0.092 5.670 8.873) 10.530 27.299 ( 1.417 -5.066 5.976) 7.961 27.347 ( 0.532 -2.189 4.477) 5.012 27.488 ( -2.758 0.227 4.094) 4.942 27.606 ( -2.943 -0.537 8.538) 9.047 27.910 ( 4.843 1.325 1.401) 5.213 27.998 ( 3.759 -8.685 12.487) 15.668 28.018 ( -2.915 8.718 0.841) 9.231 28.189 ( -1.689 -1.749 -0.873) 2.583 28.220 ( -0.051 2.628 -3.121) 4.081 28.334 ( 5.617 -3.749 -2.303) 7.135 28.552 ( -0.771 -6.347 -1.319) 6.529 28.716 ( 2.018 -14.998 -2.669) 15.367 28.900 ( 14.785 4.252 1.469) 15.454 29.045 ( -1.110 1.730 -1.033) 2.300 29.113 ( -1.419 0.674 0.033) 1.571 29.134 ( -1.088 1.624 0.181) 1.963 29.326 ( -1.156 -2.288 -0.473) 2.606 29.433 ( 0.586 -4.195 -4.140) 5.923 29.521 ( -2.000 -8.242 -0.975) 8.537 29.621 ( -2.066 -7.355 -0.355) 7.648 29.719 ( 7.004 -10.512 2.781) 12.934 29.861 ( 0.160 -6.227 -1.425) 6.390 30.082 ( -2.350 -0.877 0.902) 2.666 30.178 ( -0.466 -5.174 -0.711) 5.244 31.632 ( 6.260 16.682 9.465) 20.176 31.797 ( -2.431 9.482 -2.811) 10.184 31.974 ( -1.383 9.233 -11.063) 14.476 32.220 ( 0.121 -7.971 3.534) 8.720 32.536 ( -2.801 2.737 1.709) 4.273 32.684 ( 2.695 -6.288 1.662) 7.040 32.801 ( -4.859 -1.899 7.505) 9.140 33.037 ( -4.838 -6.354 -2.333) 8.320 33.154 ( -5.328 7.421 -5.700) 10.768 33.293 ( -6.588 2.587 -4.519) 8.398 33.424 ( -9.090 3.183 -5.071) 10.885 33.614 ( -7.677 -1.550 -1.606) 7.995 33.908 ( 11.282 11.820 1.965) 16.457 34.300 ( 9.774 -4.268 -5.879) 12.178 34.593 ( -3.263 12.202 4.933) 13.560 35.139 ( -3.567 -9.113 -6.733) 11.879 ======================= Grid point 65 (27/64) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 4.091 20.668 13.126) 24.823 2.388 ( 7.211 16.045 14.068) 22.525 2.612 ( -16.696 -0.495 4.192) 17.221 2.750 ( -4.804 -5.129 1.920) 7.286 2.898 ( 0.251 2.493 -2.437) 3.495 2.963 ( -1.421 5.306 -0.927) 5.570 3.084 ( -0.217 -1.270 0.379) 1.343 3.243 ( -6.585 0.670 -5.389) 8.536 3.339 ( 3.189 -8.055 -1.459) 8.785 3.397 ( 4.482 -4.571 3.893) 7.492 3.431 ( 7.729 -8.823 -3.006) 12.109 3.529 ( 3.058 -12.754 0.145) 13.116 3.758 ( 0.907 9.768 10.911) 14.673 3.798 ( 7.501 13.657 11.296) 19.246 3.819 ( 13.179 -5.316 -1.441) 14.284 4.096 ( 9.248 -1.411 1.642) 9.498 4.168 ( 2.995 -0.808 2.160) 3.780 4.381 ( 1.947 -2.766 2.167) 4.016 4.497 ( -1.783 1.518 4.742) 5.289 4.632 ( 8.493 10.563 16.005) 20.973 4.735 ( -3.893 -3.255 8.331) 9.755 5.085 ( 2.664 -2.750 -2.328) 4.481 5.152 ( -0.873 9.671 -3.591) 10.353 5.255 ( -3.064 5.947 -2.133) 7.021 5.398 ( 4.792 5.218 5.069) 8.711 5.484 ( 5.802 11.319 0.940) 12.754 5.631 ( -8.889 -1.247 -3.296) 9.562 5.878 ( 3.276 -11.787 -6.603) 13.901 5.898 ( -0.702 -5.642 0.971) 5.768 6.203 ( -3.879 12.590 3.290) 13.579 6.251 ( -9.462 5.228 -1.170) 10.874 6.357 ( -8.204 10.138 5.852) 14.294 6.465 ( 5.737 -6.811 3.704) 9.645 6.691 ( -1.569 -14.867 6.755) 16.405 7.096 ( 13.071 -16.066 -0.293) 20.713 7.315 ( 2.916 4.059 -0.957) 5.088 7.390 ( 3.247 -4.505 -4.464) 7.125 7.473 ( 5.834 -13.539 1.649) 14.834 7.710 ( -5.688 -14.264 2.431) 15.548 7.773 ( -5.479 -17.547 5.017) 19.055 8.001 ( -4.105 -0.296 -3.151) 5.184 8.131 ( -3.952 -3.462 -6.536) 8.385 8.277 ( -19.520 2.200 -2.157) 19.761 8.309 ( -14.931 -3.239 -8.164) 17.323 8.640 ( 9.243 11.036 -12.875) 19.313 8.912 ( -1.022 14.765 -7.954) 16.802 9.265 ( 4.306 -6.878 -8.948) 12.079 9.433 ( -2.029 -7.318 -3.195) 8.238 9.688 ( 1.287 18.457 2.515) 18.672 9.768 ( 0.996 9.720 7.019) 12.031 9.992 ( 0.993 1.175 12.536) 12.630 10.171 ( -2.420 -0.237 10.351) 10.633 10.458 ( 8.558 9.991 2.122) 13.325 10.642 ( -2.762 3.585 0.011) 4.526 10.678 ( 5.892 -6.094 4.353) 9.529 10.780 ( 0.325 -3.852 3.526) 5.232 10.988 ( 12.477 -6.263 -12.800) 18.941 11.426 ( 2.538 -7.697 -9.070) 12.163 11.496 ( 4.754 3.786 -1.273) 6.209 11.697 ( 4.201 -13.418 3.249) 14.431 11.763 ( 3.983 -4.459 -0.298) 5.986 11.988 ( 1.979 -5.734 3.266) 6.889 12.115 ( -9.421 -3.128 -1.041) 9.981 12.254 ( -5.318 -2.042 -10.920) 12.316 12.420 ( 1.231 7.866 -4.748) 9.270 12.606 ( -4.084 2.777 6.249) 7.966 12.692 ( -0.377 0.874 6.120) 6.194 12.777 ( 0.490 0.189 -2.368) 2.425 13.150 ( 9.250 9.503 -2.937) 13.583 13.449 ( 3.840 4.860 -7.458) 9.695 13.546 ( -1.955 6.408 0.283) 6.706 13.569 ( -4.055 17.361 -1.613) 17.901 13.824 ( -0.350 13.288 1.205) 13.347 13.908 ( -10.957 21.019 6.960) 24.704 14.121 ( -1.899 1.331 -7.799) 8.136 14.318 ( -9.644 -1.986 0.120) 9.847 14.962 ( 1.609 -1.037 2.995) 3.555 15.136 ( -6.695 -5.552 4.998) 10.032 15.352 ( 5.563 -5.797 1.385) 8.153 15.423 ( 0.373 -12.447 0.469) 12.461 15.839 ( -3.519 8.146 0.167) 8.875 15.927 ( -6.744 1.785 -4.923) 8.538 16.183 ( 2.846 -8.170 -3.438) 9.309 16.289 ( -2.024 -6.201 -9.282) 11.344 16.918 ( 2.297 1.198 -1.582) 3.036 16.955 ( 1.385 0.019 0.307) 1.419 17.210 ( 3.423 -11.195 -0.551) 11.720 17.300 ( -1.238 -9.336 -1.014) 9.472 17.418 ( 2.214 -5.088 1.644) 5.787 17.520 ( -1.707 4.605 1.671) 5.188 17.639 ( 3.254 -3.179 0.815) 4.621 17.707 ( 1.694 5.485 2.129) 6.123 17.875 ( 0.562 -2.223 -2.613) 3.476 18.048 ( -6.102 11.812 -5.802) 14.506 18.474 ( 5.791 -19.908 -1.092) 20.762 18.686 ( -2.919 -15.278 -5.412) 16.469 19.823 ( 12.843 11.877 6.008) 18.496 20.248 ( 5.658 -0.649 -2.215) 6.111 20.553 ( -12.397 1.961 10.153) 16.143 20.851 ( -11.716 -4.619 1.971) 12.747 21.164 ( 2.491 20.480 0.862) 20.649 21.280 ( -2.299 16.188 -0.901) 16.375 21.651 ( 6.519 -4.031 0.431) 7.677 21.876 ( -4.339 -10.970 -4.078) 12.482 23.820 ( 4.799 25.537 11.301) 28.335 24.068 ( -4.786 15.213 7.440) 17.598 24.756 ( 3.138 -18.754 -0.684) 19.027 24.903 ( -3.504 -19.934 6.174) 21.161 25.626 ( 3.366 14.331 -18.228) 23.430 25.673 ( 0.337 7.267 -11.576) 13.672 25.942 ( 4.347 -5.494 -8.243) 10.818 26.139 ( -3.686 -8.109 -8.689) 12.443 26.364 ( 6.626 13.341 13.931) 20.395 26.625 ( -4.652 17.836 6.533) 19.556 26.972 ( 2.895 -3.446 5.866) 7.393 27.070 ( 3.486 -5.530 5.731) 8.694 27.322 ( -0.086 -3.968 8.943) 9.784 27.373 ( 0.675 3.660 3.607) 5.183 27.465 ( 2.352 -3.465 2.008) 4.644 27.572 ( -1.275 0.541 6.421) 6.569 27.917 ( -4.385 10.076 -0.018) 10.989 27.933 ( -4.018 -2.775 5.525) 7.374 28.082 ( 5.488 3.941 0.821) 6.806 28.190 ( 2.512 -3.121 0.955) 4.118 28.231 ( 0.677 2.337 -0.701) 2.533 28.480 ( -3.226 -8.104 -1.402) 8.835 28.534 ( 7.963 -15.281 -4.019) 17.694 28.752 ( 0.542 -16.544 -2.455) 16.734 29.015 ( -1.240 0.927 -0.110) 1.552 29.070 ( -2.086 1.329 0.072) 2.475 29.108 ( -0.243 -1.706 0.231) 1.739 29.134 ( 4.034 -3.323 -0.778) 5.284 29.335 ( 3.799 -0.830 -1.411) 4.137 29.448 ( 1.092 -2.410 -1.286) 2.942 29.506 ( -0.204 -6.102 -3.033) 6.817 29.565 ( -3.033 -6.761 -3.347) 8.131 29.855 ( 3.220 -4.310 1.095) 5.491 29.897 ( 5.857 -6.321 0.516) 8.633 30.019 ( -3.325 -1.044 2.157) 4.099 30.148 ( -2.731 -6.351 -0.550) 6.935 31.758 ( 0.558 13.316 -1.960) 13.471 31.812 ( 8.261 15.431 5.377) 18.310 31.920 ( -2.551 14.846 -5.726) 16.116 32.195 ( -3.135 -2.033 2.653) 4.583 32.479 ( -1.761 3.773 0.760) 4.233 32.634 ( -6.584 -1.987 4.008) 7.960 32.800 ( 3.905 -8.771 1.220) 9.678 32.925 ( -5.397 -10.339 2.400) 11.907 33.079 ( -1.203 6.103 -8.483) 10.519 33.205 ( -1.711 1.043 -2.536) 3.232 33.255 ( -6.697 0.691 -6.895) 9.637 33.443 ( -8.712 -4.695 -0.169) 9.897 34.113 ( 8.902 14.597 2.451) 17.272 34.393 ( -3.210 15.237 -1.657) 15.660 34.618 ( 8.218 -6.657 1.741) 10.718 35.017 ( -8.191 -10.744 -4.914) 14.376 ======================= Grid point 66 (28/64) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -14.241 8.174 10.858) 19.686 2.178 ( 14.241 8.174 10.858) 19.686 2.611 ( -7.000 -2.276 5.359) 9.105 2.611 ( 7.000 -2.276 5.359) 9.105 2.944 ( -2.576 8.834 -0.866) 9.243 2.944 ( 2.576 8.834 -0.866) 9.243 3.115 ( -4.546 2.582 -4.176) 6.691 3.115 ( 4.546 2.582 -4.176) 6.691 3.399 ( -1.978 -8.018 0.853) 8.302 3.399 ( 1.978 -8.018 0.853) 8.302 3.531 ( -2.937 -9.563 -0.349) 10.010 3.531 ( 2.937 -9.563 -0.349) 10.010 3.803 ( -3.075 5.001 5.600) 8.113 3.803 ( 3.075 5.001 5.600) 8.113 4.138 ( -10.544 -3.959 -0.193) 11.264 4.138 ( 10.544 -3.959 -0.193) 11.264 4.319 ( -6.013 2.521 4.998) 8.216 4.319 ( 6.013 2.521 4.998) 8.216 4.543 ( -7.645 0.016 7.476) 10.693 4.543 ( 7.645 0.016 7.476) 10.693 4.955 ( -19.368 11.435 4.246) 22.889 4.955 ( 19.368 11.435 4.246) 22.889 5.141 ( -2.127 3.816 -0.705) 4.425 5.141 ( 2.127 3.816 -0.705) 4.425 5.487 ( -4.338 -1.347 0.799) 4.612 5.487 ( 4.338 -1.347 0.799) 4.612 5.815 ( -16.196 0.620 -4.215) 16.747 5.815 ( 16.196 0.620 -4.215) 16.747 5.954 ( -7.773 -1.398 -1.844) 8.110 5.954 ( 7.773 -1.398 -1.844) 8.110 6.222 ( -4.495 13.852 8.098) 16.663 6.222 ( 4.495 13.852 8.098) 16.663 6.609 ( -6.249 -11.965 8.854) 16.143 6.609 ( 6.249 -11.965 8.854) 16.143 7.320 ( -4.969 -2.934 -2.693) 6.368 7.320 ( 4.969 -2.934 -2.693) 6.368 7.464 ( -8.170 -18.491 4.452) 20.700 7.464 ( 8.170 -18.491 4.452) 20.700 7.684 ( -10.786 -9.385 -2.631) 14.538 7.684 ( 10.786 -9.385 -2.631) 14.538 7.994 ( -6.557 1.420 -4.933) 8.327 7.994 ( 6.557 1.420 -4.933) 8.327 8.116 ( -3.200 -4.867 -2.238) 6.240 8.116 ( 3.200 -4.867 -2.238) 6.240 8.821 ( -7.552 16.046 -10.477) 20.598 8.821 ( 7.552 16.046 -10.477) 20.598 9.362 ( -4.800 -8.874 -8.123) 12.953 9.362 ( 4.800 -8.874 -8.123) 12.953 9.724 ( -2.914 16.839 7.463) 18.648 9.724 ( 2.914 16.839 7.463) 18.648 10.084 ( -5.593 -4.521 10.171) 12.457 10.084 ( 5.593 -4.521 10.171) 12.457 10.584 ( -3.714 7.082 0.703) 8.028 10.584 ( 3.714 7.082 0.703) 8.028 10.767 ( -2.254 -2.968 3.568) 5.159 10.767 ( 2.254 -2.968 3.568) 5.159 11.270 ( -13.062 -4.322 -13.982) 19.616 11.270 ( 13.062 -4.322 -13.982) 19.616 11.685 ( -8.818 -2.381 -1.884) 9.326 11.685 ( 8.818 -2.381 -1.884) 9.326 11.913 ( -5.168 -7.654 2.608) 9.596 11.913 ( 5.168 -7.654 2.608) 9.596 12.055 ( -8.040 -9.591 -4.257) 13.220 12.055 ( 8.040 -9.591 -4.257) 13.220 12.493 ( -5.014 9.659 1.867) 11.041 12.493 ( 5.014 9.659 1.867) 11.041 12.769 ( -2.810 -1.729 1.498) 3.623 12.769 ( 2.810 -1.729 1.498) 3.623 13.346 ( -9.035 11.591 -2.186) 14.858 13.346 ( 9.035 11.591 -2.186) 14.858 13.549 ( -1.962 13.849 -2.280) 14.172 13.549 ( 1.962 13.849 -2.280) 14.172 13.808 ( -1.744 13.114 1.277) 13.291 13.808 ( 1.744 13.114 1.277) 13.291 14.145 ( -5.778 -1.013 -3.446) 6.803 14.145 ( 5.778 -1.013 -3.446) 6.803 15.021 ( -4.336 -2.929 4.062) 6.624 15.021 ( 4.336 -2.929 4.062) 6.624 15.430 ( -1.268 -10.469 1.887) 10.713 15.430 ( 1.268 -10.469 1.887) 10.713 15.819 ( -2.518 6.665 -2.170) 7.448 15.819 ( 2.518 6.665 -2.170) 7.448 16.238 ( -2.655 -8.069 -5.874) 10.328 16.238 ( 2.655 -8.069 -5.874) 10.328 16.962 ( -1.142 1.014 -0.224) 1.544 16.962 ( 1.142 1.014 -0.224) 1.544 17.263 ( -2.174 -9.646 -0.297) 9.893 17.263 ( 2.174 -9.646 -0.297) 9.893 17.468 ( -2.764 -0.437 2.518) 3.764 17.468 ( 2.764 -0.437 2.518) 3.764 17.706 ( -2.253 0.382 -0.361) 2.313 17.706 ( 2.253 0.382 -0.361) 2.313 17.930 ( -4.901 6.134 -3.449) 8.576 17.930 ( 4.901 6.134 -3.449) 8.576 18.594 ( -5.609 -18.280 -3.545) 19.448 18.594 ( 5.609 -18.280 -3.545) 19.448 20.117 ( -14.880 10.333 4.024) 18.557 20.117 ( 14.880 10.333 4.024) 18.557 20.588 ( -12.107 -5.700 4.750) 14.200 20.588 ( 12.107 -5.700 4.750) 14.200 21.225 ( -3.034 19.589 -0.634) 19.833 21.225 ( 3.034 19.589 -0.634) 19.833 21.775 ( -5.555 -8.064 -2.272) 10.052 21.775 ( 5.555 -8.064 -2.272) 10.052 23.945 ( -6.798 20.593 9.402) 23.636 23.945 ( 6.798 20.593 9.402) 23.636 24.827 ( -3.728 -19.475 2.548) 19.991 24.827 ( 3.728 -19.475 2.548) 19.991 25.669 ( -0.921 10.468 -15.888) 19.049 25.669 ( 0.921 10.468 -15.888) 19.049 26.043 ( -5.307 -6.998 -8.554) 12.260 26.043 ( 5.307 -6.998 -8.554) 12.260 26.506 ( -6.823 15.448 13.313) 21.504 26.506 ( 6.823 15.448 13.313) 21.504 27.064 ( -4.178 -5.583 6.387) 9.456 27.064 ( 4.178 -5.583 6.387) 9.456 27.346 ( -2.337 2.111 4.648) 5.615 27.346 ( 2.337 2.111 4.648) 5.615 27.537 ( -2.730 -1.039 4.209) 5.123 27.537 ( 2.730 -1.039 4.209) 5.123 27.866 ( -1.021 3.090 2.517) 4.114 27.866 ( 1.021 3.090 2.517) 4.114 28.180 ( -3.425 8.444 -3.357) 9.711 28.180 ( 3.425 8.444 -3.357) 9.711 28.335 ( -8.087 -12.105 3.553) 14.985 28.335 ( 8.087 -12.105 3.553) 14.985 28.700 ( -5.886 -16.878 -4.278) 18.380 28.700 ( 5.886 -16.878 -4.278) 18.380 29.022 ( -1.893 1.352 -0.115) 2.329 29.022 ( 1.893 1.352 -0.115) 2.329 29.129 ( -1.979 -4.226 0.253) 4.673 29.129 ( 1.979 -4.226 0.253) 4.673 29.434 ( -3.681 -1.650 -0.994) 4.155 29.434 ( 3.681 -1.650 -0.994) 4.155 29.516 ( -1.734 -5.295 -4.860) 7.394 29.516 ( 1.734 -5.295 -4.860) 7.394 29.915 ( -3.537 0.109 1.342) 3.785 29.915 ( 3.537 0.109 1.342) 3.785 30.061 ( -5.691 -7.962 0.725) 9.814 30.061 ( 5.691 -7.962 0.725) 9.814 31.799 ( -3.716 17.376 -2.911) 18.005 31.799 ( 3.716 17.376 -2.911) 18.005 32.062 ( -9.884 7.767 3.958) 13.179 32.062 ( 9.884 7.767 3.958) 13.179 32.506 ( -4.781 1.678 -0.438) 5.085 32.506 ( 4.781 1.678 -0.438) 5.085 32.860 ( -1.904 -13.776 3.097) 14.248 32.860 ( 1.904 -13.776 3.097) 14.248 33.110 ( -4.190 3.867 -7.806) 9.667 33.110 ( 4.190 3.867 -7.806) 9.667 33.282 ( -6.203 -3.432 -0.568) 7.111 33.282 ( 6.203 -3.432 -0.568) 7.111 34.275 ( -7.100 16.515 1.724) 18.059 34.275 ( 7.100 16.515 1.724) 18.059 34.822 ( -10.426 -9.994 -2.435) 14.646 34.822 ( 10.426 -9.994 -2.435) 14.646 ======================= Grid point 70 (29/64) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.000 -16.378 15.115) 22.287 2.250 ( 0.000 16.378 15.115) 22.287 2.702 ( 0.000 -22.615 7.736) 23.902 2.702 ( 0.000 22.615 7.736) 23.902 2.871 ( 0.000 -0.933 -2.864) 3.012 2.871 ( 0.000 0.933 -2.864) 3.012 3.015 ( 0.000 -8.600 6.815) 10.973 3.015 ( 0.000 8.600 6.815) 10.973 3.346 ( 0.000 -3.738 -0.600) 3.786 3.346 ( 0.000 3.738 -0.600) 3.786 3.509 ( 0.000 -0.684 -5.151) 5.196 3.509 ( 0.000 0.684 -5.151) 5.196 3.764 ( 0.000 -13.288 9.098) 16.104 3.764 ( 0.000 13.288 9.098) 16.104 4.071 ( 0.000 -0.005 1.160) 1.160 4.071 ( 0.000 0.005 1.160) 1.160 4.263 ( 0.000 -2.954 2.283) 3.733 4.263 ( 0.000 2.954 2.283) 3.733 4.415 ( 0.000 -22.544 10.533) 24.883 4.415 ( 0.000 22.544 10.533) 24.883 4.660 ( 0.000 -17.148 9.244) 19.481 4.660 ( 0.000 17.148 9.244) 19.481 5.157 ( 0.000 -0.356 -4.351) 4.366 5.157 ( 0.000 0.356 -4.351) 4.366 5.449 ( 0.000 -1.689 4.750) 5.041 5.449 ( 0.000 1.689 4.750) 5.041 5.883 ( 0.000 -19.463 -8.106) 21.083 5.883 ( 0.000 19.463 -8.106) 21.083 6.029 ( 0.000 -7.945 -1.850) 8.158 6.029 ( 0.000 7.945 -1.850) 8.158 6.400 ( 0.000 -7.610 0.605) 7.634 6.400 ( 0.000 7.610 0.605) 7.634 6.624 ( 0.000 -10.159 -7.106) 12.397 6.624 ( 0.000 10.159 -7.106) 12.397 7.041 ( 0.000 -15.691 1.839) 15.799 7.041 ( 0.000 15.691 1.839) 15.799 7.292 ( 0.000 -9.692 8.276) 12.745 7.292 ( 0.000 9.692 8.276) 12.745 7.649 ( 0.000 -17.747 3.464) 18.082 7.649 ( 0.000 17.747 3.464) 18.082 8.131 ( 0.000 -0.797 -6.288) 6.338 8.131 ( 0.000 0.797 -6.288) 6.338 8.520 ( 0.000 -3.418 -23.005) 23.257 8.520 ( 0.000 3.418 -23.005) 23.257 8.934 ( 0.000 -1.146 -8.501) 8.578 8.934 ( 0.000 1.146 -8.501) 8.578 9.290 ( 0.000 -3.853 12.620) 13.195 9.290 ( 0.000 3.853 12.620) 13.195 9.820 ( 0.000 -9.297 -8.026) 12.282 9.820 ( 0.000 9.297 -8.026) 12.282 10.216 ( 0.000 -8.580 5.945) 10.439 10.216 ( 0.000 8.580 5.945) 10.439 10.477 ( 0.000 -12.749 7.805) 14.948 10.477 ( 0.000 12.749 7.805) 14.948 10.632 ( 0.000 -11.581 1.159) 11.639 10.632 ( 0.000 11.581 1.159) 11.639 10.790 ( 0.000 -0.231 7.180) 7.184 10.790 ( 0.000 0.231 7.180) 7.184 11.616 ( 0.000 -5.677 -5.408) 7.840 11.616 ( 0.000 5.677 -5.408) 7.840 11.641 ( 0.000 -0.118 8.097) 8.098 11.641 ( 0.000 0.118 8.097) 8.098 12.334 ( 0.000 -0.132 0.539) 0.555 12.334 ( 0.000 0.132 0.539) 0.555 12.426 ( 0.000 -0.536 0.465) 0.709 12.426 ( 0.000 0.536 0.465) 0.709 12.956 ( 0.000 -3.325 -3.202) 4.616 12.956 ( 0.000 3.325 -3.202) 4.616 13.097 ( 0.000 -6.289 -11.769) 13.344 13.097 ( 0.000 6.289 -11.769) 13.344 13.856 ( 0.000 -2.500 10.788) 11.074 13.856 ( 0.000 2.500 10.788) 11.074 14.090 ( 0.000 -9.820 -14.035) 17.129 14.090 ( 0.000 9.820 -14.035) 17.129 14.505 ( 0.000 -4.854 9.242) 10.439 14.505 ( 0.000 4.854 9.242) 10.439 15.049 ( 0.000 -8.577 -1.867) 8.778 15.049 ( 0.000 8.577 -1.867) 8.778 15.301 ( 0.000 -3.829 4.498) 5.907 15.301 ( 0.000 3.829 4.498) 5.907 16.003 ( 0.000 -0.770 0.118) 0.779 16.003 ( 0.000 0.770 0.118) 0.779 16.217 ( 0.000 -4.040 -11.805) 12.477 16.217 ( 0.000 4.040 -11.805) 12.477 16.861 ( 0.000 -4.111 -1.463) 4.364 16.861 ( 0.000 4.111 -1.463) 4.364 17.060 ( 0.000 -8.274 -4.010) 9.194 17.060 ( 0.000 8.274 -4.010) 9.194 17.333 ( 0.000 -4.290 1.671) 4.604 17.333 ( 0.000 4.290 1.671) 4.604 17.806 ( 0.000 -5.261 0.498) 5.285 17.806 ( 0.000 5.261 0.498) 5.285 17.898 ( 0.000 -19.523 3.035) 19.757 17.898 ( 0.000 19.523 3.035) 19.757 18.471 ( 0.000 -11.771 -9.769) 15.297 18.471 ( 0.000 11.771 -9.769) 15.297 19.852 ( 0.000 -13.905 5.100) 14.811 19.852 ( 0.000 13.905 5.100) 14.811 21.006 ( 0.000 -3.895 6.575) 7.642 21.006 ( 0.000 3.895 6.575) 7.642 21.485 ( 0.000 -1.933 0.106) 1.936 21.485 ( 0.000 1.933 0.106) 1.936 21.566 ( 0.000 -22.807 -1.244) 22.841 21.566 ( 0.000 22.807 -1.244) 22.841 24.300 ( 0.000 -19.314 2.474) 19.472 24.300 ( 0.000 19.314 2.474) 19.472 24.489 ( 0.000 -24.308 10.249) 26.381 24.489 ( 0.000 24.308 10.249) 26.381 25.743 ( 0.000 -4.884 -6.456) 8.095 25.743 ( 0.000 4.884 -6.456) 8.095 25.919 ( 0.000 -17.556 -17.455) 24.756 25.919 ( 0.000 17.556 -17.455) 24.756 26.488 ( 0.000 -14.859 10.090) 17.960 26.488 ( 0.000 14.859 10.090) 17.960 27.156 ( 0.000 -4.921 -3.244) 5.894 27.156 ( 0.000 4.921 -3.244) 5.894 27.194 ( 0.000 -0.745 5.758) 5.806 27.194 ( 0.000 0.745 5.758) 5.806 27.594 ( 0.000 -5.419 9.854) 11.245 27.594 ( 0.000 5.419 9.854) 11.245 27.805 ( 0.000 -5.185 8.373) 9.849 27.805 ( 0.000 5.185 8.373) 9.849 28.171 ( 0.000 -2.999 -2.741) 4.063 28.171 ( 0.000 2.999 -2.741) 4.063 28.366 ( 0.000 -14.807 -3.234) 15.156 28.366 ( 0.000 14.807 -3.234) 15.156 28.425 ( 0.000 -7.568 -1.598) 7.735 28.425 ( 0.000 7.568 -1.598) 7.735 28.989 ( 0.000 -12.779 2.159) 12.960 28.989 ( 0.000 12.779 2.159) 12.960 29.163 ( 0.000 -1.318 -0.048) 1.319 29.163 ( 0.000 1.318 -0.048) 1.319 29.315 ( 0.000 -1.796 0.464) 1.855 29.315 ( 0.000 1.796 0.464) 1.855 29.436 ( 0.000 -2.212 -0.915) 2.394 29.436 ( 0.000 2.212 -0.915) 2.394 29.703 ( 0.000 -6.716 -3.116) 7.403 29.703 ( 0.000 6.716 -3.116) 7.403 30.107 ( 0.000 -1.706 0.191) 1.717 30.107 ( 0.000 1.706 0.191) 1.717 31.933 ( 0.000 -16.230 7.112) 17.719 31.933 ( 0.000 16.230 7.112) 17.719 31.984 ( 0.000 -5.857 -3.716) 6.937 31.984 ( 0.000 5.857 -3.716) 6.937 32.594 ( 0.000 -1.190 -0.917) 1.502 32.594 ( 0.000 1.190 -0.917) 1.502 32.923 ( 0.000 -7.908 2.687) 8.352 32.923 ( 0.000 7.908 2.687) 8.352 33.336 ( 0.000 -5.007 -6.340) 8.079 33.336 ( 0.000 5.007 -6.340) 8.079 33.771 ( 0.000 -0.084 -2.130) 2.131 33.771 ( 0.000 0.084 -2.130) 2.131 33.886 ( 0.000 -14.001 -2.684) 14.256 33.886 ( 0.000 14.001 -2.684) 14.256 34.949 ( 0.000 -13.513 -0.816) 13.537 34.949 ( 0.000 13.513 -0.816) 13.537 ======================= Grid point 72 (30/64) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 9.214 -18.233 9.225) 22.415 2.419 ( 9.214 18.233 9.225) 22.415 2.718 ( 1.945 -19.765 5.483) 20.604 2.718 ( 1.945 19.765 5.483) 20.604 2.904 ( 3.668 -0.051 0.572) 3.712 2.904 ( 3.668 0.051 0.572) 3.712 3.062 ( 4.577 -7.400 4.163) 9.645 3.062 ( 4.577 7.400 4.163) 9.645 3.239 ( -10.100 -9.364 1.620) 13.868 3.239 ( -10.100 9.364 1.620) 13.868 3.412 ( -3.621 -5.337 -3.248) 7.221 3.412 ( -3.621 5.337 -3.248) 7.221 3.733 ( -0.960 -9.807 6.261) 11.674 3.733 ( -0.960 9.807 6.261) 11.674 4.045 ( -0.294 -4.125 3.798) 5.615 4.045 ( -0.294 4.125 3.798) 5.615 4.294 ( -2.863 -13.663 5.430) 14.979 4.294 ( -2.863 13.663 5.430) 14.979 4.454 ( 7.078 -6.022 6.599) 11.398 4.454 ( 7.078 6.022 6.599) 11.398 4.777 ( 8.054 -15.479 8.464) 19.394 4.777 ( 8.054 15.479 8.464) 19.394 5.220 ( 4.845 -3.115 -3.583) 6.784 5.220 ( 4.845 3.115 -3.583) 6.784 5.480 ( 3.292 -8.632 2.622) 9.603 5.480 ( 3.292 8.632 2.622) 9.603 5.887 ( -5.053 -13.129 -5.556) 15.125 5.887 ( -5.053 13.129 -5.556) 15.125 5.942 ( -2.996 -12.606 -0.983) 12.994 5.942 ( -2.996 12.606 -0.983) 12.994 6.402 ( -0.233 -3.245 -0.272) 3.265 6.402 ( -0.233 3.245 -0.272) 3.265 6.609 ( 0.201 -12.268 -1.366) 12.345 6.609 ( 0.201 12.268 -1.366) 12.346 7.030 ( -0.177 -21.779 -0.434) 21.784 7.030 ( -0.177 21.779 -0.434) 21.784 7.375 ( 5.497 -7.253 6.265) 11.049 7.375 ( 5.497 7.253 6.265) 11.049 7.543 ( -7.938 -12.468 1.821) 14.893 7.543 ( -7.938 12.468 1.821) 14.893 8.116 ( -1.836 -3.412 -3.337) 5.113 8.116 ( -1.836 3.412 -3.337) 5.113 8.546 ( -2.612 -0.525 -21.145) 21.312 8.546 ( -2.612 0.525 -21.145) 21.312 8.847 ( -3.710 -11.037 -8.586) 14.467 8.847 ( -3.710 11.037 -8.586) 14.467 9.285 ( -0.460 -11.816 10.025) 15.503 9.285 ( -0.460 11.816 10.025) 15.503 9.836 ( 2.248 -7.943 -7.205) 10.957 9.836 ( 2.248 7.943 -7.205) 10.957 10.222 ( -2.625 -6.763 9.097) 11.636 10.222 ( -2.625 6.763 9.097) 11.636 10.483 ( 1.568 -0.658 2.141) 2.734 10.483 ( 1.568 0.658 2.141) 2.734 10.605 ( 2.718 -1.343 7.767) 8.337 10.605 ( 2.718 1.343 7.767) 8.337 10.939 ( 9.809 -18.226 0.523) 20.704 10.939 ( 9.809 18.226 0.523) 20.704 11.511 ( -2.701 -3.911 0.522) 4.782 11.511 ( -2.701 3.911 0.522) 4.782 11.777 ( 4.765 -3.753 2.922) 6.733 11.777 ( 4.765 3.753 2.922) 6.733 12.294 ( -3.094 -1.690 -4.935) 6.065 12.294 ( -3.094 1.690 -4.935) 6.065 12.478 ( 4.346 -3.725 -0.097) 5.725 12.478 ( 4.346 3.725 -0.097) 5.725 12.868 ( -7.676 -1.768 -0.370) 7.886 12.868 ( -7.676 1.768 -0.370) 7.886 13.168 ( 6.812 -7.473 -8.294) 13.078 13.168 ( 6.812 7.473 -8.294) 13.078 13.824 ( -2.502 -2.611 5.796) 6.832 13.824 ( -2.502 2.611 5.796) 6.832 14.074 ( -2.119 -9.336 -9.858) 13.742 14.074 ( -2.119 9.336 -9.858) 13.742 14.439 ( -6.614 -6.786 7.488) 12.077 14.439 ( -6.614 6.786 7.488) 12.077 15.053 ( 0.794 -9.930 -1.533) 10.079 15.053 ( 0.794 9.930 -1.533) 10.079 15.252 ( -3.848 -5.230 4.615) 7.966 15.252 ( -3.848 5.230 4.615) 7.966 16.009 ( 0.371 -4.059 -0.958) 4.187 16.009 ( 0.371 4.059 -0.958) 4.187 16.182 ( -3.242 -7.487 -9.624) 12.617 16.182 ( -3.242 7.487 -9.624) 12.617 16.886 ( 2.509 -5.612 -0.996) 6.227 16.886 ( 2.509 5.612 -0.996) 6.227 17.073 ( 0.869 -8.680 -2.377) 9.041 17.073 ( 0.869 8.680 -2.377) 9.041 17.371 ( 3.589 -4.963 1.244) 6.250 17.371 ( 3.589 4.963 1.244) 6.250 17.778 ( -2.684 -5.624 0.533) 6.255 17.778 ( -2.684 5.624 0.533) 6.255 17.946 ( 4.422 -18.714 1.512) 19.289 17.946 ( 4.422 18.714 1.512) 19.289 18.444 ( -2.804 -13.434 -9.075) 16.453 18.444 ( -2.804 13.434 -9.075) 16.453 19.914 ( 6.109 -13.480 5.159) 15.673 19.914 ( 6.109 13.480 5.159) 15.673 20.910 ( -8.903 -6.276 6.348) 12.607 20.910 ( -8.903 6.276 6.348) 12.607 21.506 ( 1.795 -3.897 -0.245) 4.297 21.506 ( 1.795 3.897 -0.245) 4.297 21.574 ( 0.604 -21.090 -1.447) 21.148 21.574 ( 0.604 21.090 -1.447) 21.148 24.304 ( 0.609 -20.665 3.189) 20.919 24.304 ( 0.609 20.665 3.189) 20.919 24.480 ( -0.951 -22.998 9.263) 24.811 24.480 ( -0.951 22.998 9.263) 24.811 25.760 ( 1.723 -4.556 -7.122) 8.628 25.760 ( 1.723 4.556 -7.122) 8.628 25.932 ( 0.675 -15.239 -16.856) 22.734 25.932 ( 0.675 15.239 -16.856) 22.734 26.544 ( 5.352 -15.516 9.407) 18.918 26.544 ( 5.352 15.516 9.407) 18.918 27.102 ( -6.095 -5.690 4.145) 9.312 27.102 ( -6.095 5.690 4.145) 9.312 27.211 ( 3.794 -3.117 1.078) 5.027 27.211 ( 3.794 3.117 1.078) 5.027 27.555 ( -2.236 -4.814 10.063) 11.377 27.555 ( -2.236 4.814 10.063) 11.377 27.897 ( 5.394 -2.854 7.695) 9.821 27.897 ( 5.394 2.854 7.695) 9.821 28.163 ( 0.675 -4.323 -4.050) 5.962 28.163 ( 0.675 4.323 -4.050) 5.962 28.344 ( -2.585 -12.615 -4.297) 13.576 28.344 ( -2.585 12.615 -4.297) 13.576 28.435 ( 0.863 -7.877 -0.054) 7.925 28.435 ( 0.863 7.877 -0.054) 7.925 29.052 ( 4.138 -6.039 0.400) 7.332 29.052 ( 4.138 6.039 0.400) 7.332 29.122 ( -3.081 -2.439 0.630) 3.980 29.122 ( -3.081 2.439 0.630) 3.980 29.317 ( 0.884 -3.504 -0.430) 3.639 29.317 ( 0.884 3.504 -0.430) 3.639 29.452 ( 1.036 -4.882 -0.738) 5.046 29.452 ( 1.036 4.882 -0.738) 5.046 29.728 ( 2.551 -5.442 -1.874) 6.295 29.728 ( 2.551 5.442 -1.874) 6.295 30.094 ( -1.376 -2.278 0.224) 2.671 30.094 ( -1.376 2.278 0.224) 2.671 31.973 ( 3.074 -12.816 3.201) 13.563 31.973 ( 3.074 12.816 3.201) 13.563 31.991 ( 1.552 -6.580 -0.385) 6.772 31.991 ( 1.552 6.580 -0.385) 6.772 32.597 ( 0.065 -2.954 -1.392) 3.266 32.597 ( 0.065 2.954 -1.392) 3.266 32.858 ( -6.042 -7.724 4.355) 10.730 32.858 ( -6.042 7.724 4.355) 10.730 33.290 ( -4.053 -4.168 -7.489) 9.481 33.290 ( -4.053 4.168 -7.489) 9.481 33.526 ( -12.950 -6.140 -4.112) 14.910 33.526 ( -12.950 6.140 -4.112) 14.910 34.131 ( 13.327 -9.546 -0.091) 16.394 34.131 ( 13.327 9.546 -0.091) 16.394 34.895 ( -5.000 -13.787 -0.604) 14.678 34.895 ( -5.000 13.787 -0.604) 14.678 ======================= Grid point 74 (31/64) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -3.830 -18.395 4.346) 19.285 2.429 ( -3.830 18.395 4.346) 19.286 2.622 ( -12.007 -5.914 7.045) 15.125 2.622 ( -12.007 5.914 7.045) 15.125 3.050 ( 8.520 -14.361 -1.819) 16.798 3.050 ( 8.520 14.361 -1.819) 16.798 3.134 ( 3.504 -8.187 -2.311) 9.200 3.134 ( 3.504 8.187 -2.311) 9.200 3.226 ( 4.826 -10.852 2.676) 12.174 3.226 ( 4.826 10.852 2.676) 12.174 3.344 ( -3.683 -3.857 -0.299) 5.341 3.344 ( -3.683 3.857 -0.299) 5.341 3.813 ( 8.887 -2.099 5.247) 10.532 3.813 ( 8.887 2.099 5.247) 10.532 4.116 ( 3.906 -2.519 0.964) 4.747 4.116 ( 3.906 2.519 0.964) 4.747 4.217 ( 0.315 -13.089 10.268) 16.639 4.217 ( 0.315 13.089 10.268) 16.639 4.552 ( 0.470 -7.890 6.466) 10.212 4.552 ( 0.470 7.890 6.466) 10.212 4.938 ( 8.062 -11.224 6.584) 15.307 4.938 ( 8.062 11.224 6.584) 15.307 5.276 ( -1.636 -2.642 -2.782) 4.171 5.276 ( -1.636 2.642 -2.782) 4.171 5.572 ( 4.274 -10.559 -1.279) 11.463 5.572 ( 4.274 10.559 -1.279) 11.463 5.670 ( -8.967 -5.395 -2.781) 10.828 5.670 ( -8.967 5.395 -2.781) 10.828 5.986 ( 4.549 -17.043 5.555) 18.494 5.986 ( 4.549 17.043 5.555) 18.494 6.344 ( -6.323 -1.958 0.705) 6.656 6.344 ( -6.323 1.958 0.705) 6.656 6.687 ( 7.140 -15.189 3.815) 17.211 6.687 ( 7.140 15.189 3.815) 17.211 6.999 ( -4.393 -30.721 1.407) 31.066 6.999 ( -4.393 30.721 1.407) 31.066 7.412 ( 0.176 -6.537 -3.931) 7.630 7.412 ( 0.176 6.537 -3.931) 7.630 7.489 ( 2.163 -11.098 3.786) 11.924 7.489 ( 2.163 11.098 3.786) 11.924 8.057 ( -3.362 -3.808 -2.360) 5.601 8.057 ( -3.362 3.808 -2.360) 5.601 8.288 ( -16.809 -0.593 -8.813) 18.988 8.288 ( -16.809 0.593 -8.813) 18.988 8.948 ( 9.760 -13.894 -13.707) 21.822 8.948 ( 9.760 13.894 -13.707) 21.822 9.254 ( -3.220 -9.849 -0.838) 10.396 9.254 ( -3.220 9.849 -0.838) 10.396 9.905 ( 3.843 -2.478 1.137) 4.712 9.905 ( 3.843 2.478 1.137) 4.712 10.099 ( -6.975 -6.400 9.438) 13.368 10.099 ( -6.975 6.400 9.438) 13.368 10.588 ( 6.708 -2.851 1.870) 7.525 10.588 ( 6.708 2.851 1.870) 7.525 10.681 ( 3.022 -4.562 5.194) 7.545 10.681 ( 3.022 4.562 5.194) 7.545 11.155 ( 11.554 -18.294 -4.422) 22.084 11.155 ( 11.554 18.294 -4.422) 22.084 11.505 ( -0.036 -2.662 0.884) 2.805 11.505 ( -0.036 2.662 0.884) 2.805 11.799 ( -0.144 -6.557 0.576) 6.584 11.799 ( -0.144 6.557 0.576) 6.584 12.177 ( -10.138 -4.663 -9.161) 14.437 12.177 ( -10.138 4.663 -9.161) 14.437 12.580 ( 5.392 -5.612 1.094) 7.859 12.580 ( 5.392 5.612 1.094) 7.859 12.736 ( -3.703 -3.539 2.468) 5.686 12.736 ( -3.703 3.539 2.468) 5.686 13.347 ( 10.251 -8.603 -4.130) 14.006 13.347 ( 10.251 8.603 -4.130) 14.006 13.750 ( -5.896 -4.607 -1.061) 7.557 13.750 ( -5.896 4.607 -1.061) 7.557 14.024 ( -1.054 -6.564 -3.734) 7.625 14.024 ( -1.054 6.564 -3.734) 7.625 14.257 ( -10.088 -9.794 3.661) 14.529 14.257 ( -10.088 9.794 3.661) 14.529 15.084 ( 2.048 -10.529 0.095) 10.727 15.084 ( 2.048 10.529 0.095) 10.727 15.182 ( -2.676 -8.767 3.774) 9.913 15.182 ( -2.676 8.767 3.774) 9.913 16.014 ( 0.372 -7.912 -2.463) 8.295 16.014 ( 0.372 7.912 -2.463) 8.295 16.102 ( -4.055 -10.386 -5.806) 12.571 16.102 ( -4.055 10.386 -5.806) 12.571 16.956 ( 4.007 -6.459 0.302) 7.607 16.956 ( 4.007 6.459 0.302) 7.607 17.076 ( -0.927 -7.850 -0.013) 7.905 17.076 ( -0.927 7.850 -0.013) 7.905 17.469 ( 5.728 -6.914 0.437) 8.989 17.469 ( 5.728 6.914 0.437) 8.989 17.701 ( -4.723 -7.091 0.094) 8.521 17.701 ( -4.723 7.091 0.094) 8.521 18.065 ( 6.917 -18.080 -1.380) 19.407 18.065 ( 6.917 18.080 -1.380) 19.407 18.354 ( -5.919 -15.852 -7.170) 18.377 18.354 ( -5.919 15.852 -7.170) 18.377 20.098 ( 11.690 -12.345 5.333) 17.818 20.098 ( 11.690 12.345 5.333) 17.818 20.671 ( -13.917 -9.148 5.932) 17.679 20.671 ( -13.917 9.148 5.932) 17.679 21.544 ( 1.698 -7.926 -0.957) 8.162 21.544 ( 1.698 7.926 -0.957) 8.162 21.582 ( -0.031 -17.101 -1.660) 17.182 21.582 ( -0.031 17.101 -1.660) 17.182 24.332 ( 2.193 -21.835 4.794) 22.462 24.332 ( 2.193 21.835 4.794) 22.462 24.448 ( -2.294 -21.064 7.347) 22.426 24.448 ( -2.294 21.064 7.347) 22.426 25.810 ( 2.987 -5.575 -9.270) 11.222 25.810 ( 2.987 5.575 -9.270) 11.222 25.925 ( -1.559 -11.599 -15.270) 19.239 25.925 ( -1.559 11.599 -15.270) 19.239 26.685 ( 7.820 -15.642 8.834) 19.592 26.685 ( 7.820 15.642 8.834) 19.592 26.972 ( -6.238 -10.045 9.313) 15.052 26.972 ( -6.238 10.045 9.313) 15.052 27.323 ( 6.563 -4.784 0.647) 8.147 27.323 ( 6.563 4.784 0.647) 8.147 27.515 ( -2.033 -5.681 7.544) 9.660 27.515 ( -2.033 5.681 7.544) 9.660 27.957 ( 1.902 -6.345 6.381) 9.198 27.957 ( 1.902 6.345 6.381) 9.198 28.184 ( -4.093 -11.488 -3.301) 12.634 28.184 ( -4.093 11.488 -3.301) 12.634 28.301 ( 3.067 -4.659 -2.635) 6.169 28.301 ( 3.067 4.659 -2.635) 6.169 28.451 ( -0.105 -10.936 -1.735) 11.073 28.451 ( -0.105 10.936 -1.735) 11.073 29.053 ( -1.570 -2.469 0.125) 2.929 29.053 ( -1.570 2.469 0.125) 2.929 29.098 ( -1.213 -0.726 0.128) 1.420 29.098 ( -1.213 0.726 0.128) 1.420 29.373 ( 3.934 -4.648 -2.283) 6.503 29.373 ( 3.934 4.648 -2.283) 6.503 29.463 ( -0.156 -3.293 -1.152) 3.493 29.463 ( -0.156 3.293 -1.152) 3.493 29.813 ( 5.759 -1.585 0.533) 5.997 29.813 ( 5.759 1.585 0.533) 5.997 30.044 ( -3.725 -3.086 0.545) 4.867 30.044 ( -3.725 3.086 0.545) 4.867 32.019 ( 3.003 -8.585 -2.784) 9.511 32.019 ( 3.003 8.585 -2.784) 9.511 32.075 ( 4.095 -8.199 3.397) 9.774 32.075 ( 4.095 8.199 3.397) 9.774 32.582 ( -1.390 -5.186 -1.142) 5.489 32.582 ( -1.390 5.186 -1.142) 5.489 32.715 ( -6.844 -4.979 5.317) 9.995 32.715 ( -6.844 4.979 5.317) 9.995 33.205 ( -3.224 -2.233 -8.146) 9.041 33.205 ( -3.224 2.233 -8.146) 9.041 33.308 ( -8.203 -6.045 -3.651) 10.823 33.308 ( -8.203 6.045 -3.651) 10.823 34.379 ( 11.025 -10.469 0.851) 15.227 34.379 ( 11.025 10.469 0.851) 15.227 34.760 ( -7.869 -13.547 -0.069) 15.666 34.760 ( -7.869 13.547 -0.069) 15.666 ======================= Grid point 76 (32/64) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -4.486 -12.942 5.872) 14.903 2.423 ( 3.913 -12.895 5.872) 14.700 2.423 ( -3.913 12.895 5.872) 14.700 2.423 ( 4.486 12.942 5.872) 14.903 3.178 ( -2.073 -6.132 -1.438) 6.630 3.178 ( 1.374 -6.082 -1.438) 6.399 3.178 ( -1.374 6.082 -1.438) 6.399 3.178 ( 2.073 6.132 -1.438) 6.630 3.271 ( -2.769 -5.499 -1.047) 6.245 3.271 ( 2.727 -5.494 -1.047) 6.222 3.271 ( -2.727 5.494 -1.047) 6.222 3.271 ( 2.769 5.499 -1.047) 6.246 4.007 ( -8.811 -9.498 3.686) 13.470 4.007 ( 8.744 -9.483 3.686) 13.415 4.007 ( -8.744 9.483 3.686) 13.415 4.007 ( 8.811 9.498 3.686) 13.470 4.438 ( -8.565 -7.075 8.049) 13.719 4.438 ( -4.468 -6.059 8.049) 11.021 4.438 ( 4.468 6.059 8.049) 11.021 4.438 ( 8.565 7.075 8.049) 13.719 5.125 ( -9.948 -4.274 0.213) 10.830 5.125 ( -5.088 -0.028 0.213) 5.093 5.125 ( 5.088 0.028 0.213) 5.093 5.125 ( 9.948 4.274 0.213) 10.830 5.607 ( -0.680 -10.684 -1.495) 10.809 5.607 ( 0.537 -10.682 -1.495) 10.799 5.607 ( -0.537 10.682 -1.495) 10.799 5.607 ( 0.680 10.684 -1.495) 10.809 6.153 ( -10.681 -11.493 6.078) 16.826 6.153 ( 9.138 -11.156 6.078) 15.649 6.153 ( -9.138 11.156 6.078) 15.649 6.153 ( 10.681 11.493 6.078) 16.826 6.856 ( -8.513 -25.480 4.345) 27.214 6.856 ( 8.490 -25.478 4.345) 27.205 6.856 ( -8.490 25.478 4.345) 27.205 6.856 ( 8.513 25.480 4.345) 27.214 7.477 ( -3.697 -8.306 -2.705) 9.485 7.477 ( 3.609 -8.296 -2.705) 9.443 7.477 ( -3.609 8.296 -2.705) 9.443 7.477 ( 3.697 8.306 -2.705) 9.485 8.049 ( -4.860 -2.638 -4.320) 7.017 8.049 ( 0.938 -1.129 -4.320) 4.562 8.049 ( -0.938 1.129 -4.320) 4.562 8.049 ( 4.860 2.638 -4.320) 7.017 9.140 ( -7.212 -12.811 -9.533) 17.522 9.140 ( 5.543 -12.602 -9.533) 16.745 9.140 ( -5.543 12.602 -9.533) 16.745 9.140 ( 7.212 12.811 -9.533) 17.522 9.984 ( -3.342 -6.757 7.706) 10.780 9.984 ( 1.638 -6.598 7.706) 10.277 9.984 ( -1.638 6.598 7.706) 10.277 9.984 ( 3.342 6.757 7.706) 10.780 10.691 ( -1.947 -4.009 1.923) 4.854 10.691 ( 1.066 -3.925 1.923) 4.499 10.691 ( -1.066 3.925 1.923) 4.499 10.691 ( 1.947 4.009 1.923) 4.854 11.392 ( -10.181 -15.591 -2.438) 18.780 11.392 ( 9.136 -15.429 -2.438) 18.096 11.392 ( -9.136 15.429 -2.438) 18.096 11.392 ( 10.181 15.591 -2.438) 18.780 11.922 ( -11.854 -4.208 -4.236) 13.273 11.922 ( -9.489 2.256 -4.236) 10.634 11.922 ( 9.489 -2.256 -4.236) 10.634 11.922 ( 11.854 4.208 -4.236) 13.273 12.678 ( -3.193 -6.868 2.083) 7.855 12.678 ( 2.607 -6.806 2.083) 7.580 12.678 ( -2.607 6.806 2.083) 7.580 12.678 ( 3.193 6.868 2.083) 7.855 13.569 ( -10.849 -8.239 -3.457) 14.054 13.569 ( 9.711 -7.876 -3.457) 12.972 13.569 ( -9.711 7.876 -3.457) 12.972 13.569 ( 10.849 8.239 -3.457) 14.054 14.079 ( -6.246 -9.725 0.268) 11.561 14.079 ( 5.915 -9.673 0.268) 11.342 14.079 ( -5.915 9.673 0.268) 11.342 14.079 ( 6.246 9.725 0.268) 11.561 15.132 ( -2.120 -13.353 2.001) 13.668 15.132 ( 1.965 -13.347 2.001) 13.639 15.132 ( -1.965 13.347 2.001) 13.639 15.132 ( 2.120 13.353 2.001) 13.668 16.037 ( -1.993 -11.109 -3.509) 11.819 16.037 ( 1.945 -11.107 -3.509) 11.809 16.037 ( -1.945 11.107 -3.509) 11.809 16.037 ( 1.993 11.109 -3.509) 11.819 17.033 ( -2.775 -8.039 0.948) 8.557 17.033 ( 2.361 -8.006 0.948) 8.400 17.033 ( -2.361 8.006 0.948) 8.400 17.033 ( 2.775 8.039 0.948) 8.557 17.591 ( -5.775 -8.279 -0.071) 10.095 17.591 ( 5.188 -8.182 -0.071) 9.688 17.591 ( -5.188 8.182 -0.071) 9.688 17.591 ( 5.776 8.279 -0.071) 10.095 18.214 ( -7.424 -17.305 -4.472) 19.354 18.214 ( 7.419 -17.304 -4.472) 19.352 18.214 ( -7.419 17.304 -4.472) 19.352 18.214 ( 7.424 17.305 -4.472) 19.354 20.372 ( -13.833 -12.579 5.589) 19.515 20.372 ( 6.925 -11.063 5.589) 14.198 20.372 ( -6.925 11.063 5.589) 14.198 20.372 ( 13.833 12.579 5.589) 19.515 21.571 ( -0.937 -12.705 -1.495) 12.827 21.571 ( 0.934 -12.705 -1.495) 12.827 21.571 ( -0.934 12.705 -1.495) 12.827 21.571 ( 0.937 12.705 -1.495) 12.827 24.389 ( -3.130 -21.390 6.058) 22.451 24.389 ( 3.118 -21.390 6.058) 22.449 24.389 ( -3.118 21.390 6.058) 22.449 24.389 ( 3.130 21.390 6.058) 22.451 25.874 ( -2.955 -8.922 -12.545) 15.675 25.874 ( 2.793 -8.909 -12.545) 15.638 25.874 ( -2.793 8.909 -12.545) 15.638 25.874 ( 2.955 8.922 -12.545) 15.675 26.840 ( -6.865 -14.560 10.017) 18.960 26.840 ( 6.551 -14.524 10.017) 18.820 26.840 ( -6.551 14.524 10.017) 18.820 26.840 ( 6.865 14.560 10.017) 18.960 27.447 ( -4.934 -6.008 3.192) 8.404 27.447 ( 4.650 -5.951 3.192) 8.199 27.447 ( -4.650 5.951 3.192) 8.199 27.447 ( 4.934 6.008 3.192) 8.404 28.042 ( -6.754 -12.436 2.962) 14.459 28.042 ( 6.692 -12.428 2.962) 14.423 28.042 ( -6.692 12.428 2.962) 14.423 28.042 ( 6.754 12.436 2.962) 14.459 28.405 ( -4.321 -11.530 -3.382) 12.769 28.405 ( 4.153 -11.514 -3.382) 12.699 28.405 ( -4.153 11.514 -3.382) 12.699 28.405 ( 4.321 11.530 -3.382) 12.769 29.057 ( -1.778 -2.392 0.090) 2.982 29.057 ( 1.651 -2.369 0.090) 2.889 29.057 ( -1.651 2.369 0.090) 2.889 29.057 ( 1.778 2.392 0.090) 2.982 29.439 ( -2.160 -2.101 -2.226) 3.746 29.439 ( 1.440 -1.941 -2.226) 3.286 29.439 ( -1.440 1.941 -2.226) 3.286 29.439 ( 2.160 2.101 -2.226) 3.746 29.942 ( -6.001 -3.027 1.110) 6.812 29.942 ( -1.221 -0.727 1.110) 1.803 29.942 ( 1.221 0.727 1.110) 1.803 29.942 ( 6.001 3.027 1.110) 6.812 32.090 ( -2.165 -7.365 -0.902) 7.729 32.090 ( 1.647 -7.331 -0.902) 7.568 32.090 ( -1.647 7.331 -0.902) 7.568 32.090 ( 2.165 7.365 -0.902) 7.729 32.599 ( -1.573 -8.760 2.542) 9.256 32.599 ( -0.115 -8.725 2.542) 9.089 32.599 ( 0.115 8.725 2.542) 9.089 32.599 ( 1.573 8.760 2.542) 9.256 33.196 ( -2.573 -4.254 -5.323) 7.284 33.196 ( 2.311 -4.216 -5.323) 7.173 33.196 ( -2.311 4.216 -5.323) 7.173 33.196 ( 2.573 4.254 -5.323) 7.284 34.584 ( -9.044 -12.791 0.580) 15.676 34.584 ( 8.144 -12.639 0.580) 15.047 34.584 ( -8.144 12.639 0.580) 15.047 34.584 ( 9.044 12.791 0.580) 15.676 ======================= Grid point 98 (33/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.000 0.000 41.352) 41.352 1.670 ( 0.000 0.000 39.963) 39.963 2.566 ( 0.000 0.000 30.499) 30.499 2.772 ( 0.000 0.000 -7.016) 7.016 2.868 ( 0.000 0.000 -3.439) 3.439 2.952 ( 0.000 0.000 -27.077) 27.077 2.955 ( 0.000 0.000 7.524) 7.524 3.223 ( 0.000 0.000 -7.723) 7.723 3.303 ( 0.000 0.000 21.028) 21.028 3.342 ( 0.000 0.000 15.207) 15.207 3.443 ( 0.000 0.000 7.204) 7.204 3.534 ( 0.000 0.000 7.049) 7.049 3.716 ( 0.000 0.000 2.771) 2.771 3.727 ( 0.000 0.000 -3.831) 3.831 3.913 ( 0.000 0.000 -13.292) 13.292 3.927 ( 0.000 0.000 7.721) 7.721 4.179 ( 0.000 0.000 -2.823) 2.823 4.438 ( 0.000 0.000 -4.154) 4.154 4.450 ( 0.000 0.000 -5.204) 5.204 4.709 ( 0.000 0.000 5.159) 5.159 4.798 ( 0.000 0.000 2.871) 2.871 4.934 ( 0.000 0.000 -24.070) 24.070 5.156 ( 0.000 0.000 -4.838) 4.838 5.289 ( 0.000 0.000 -15.212) 15.212 5.296 ( 0.000 0.000 17.363) 17.363 5.520 ( 0.000 0.000 3.705) 3.705 5.660 ( 0.000 0.000 20.898) 20.898 5.845 ( 0.000 0.000 13.011) 13.011 6.132 ( 0.000 0.000 1.637) 1.637 6.179 ( 0.000 0.000 -0.532) 0.532 6.379 ( 0.000 0.000 26.918) 26.918 6.399 ( 0.000 0.000 -15.898) 15.898 6.735 ( 0.000 0.000 -24.851) 24.851 6.997 ( 0.000 0.000 20.985) 20.985 7.188 ( 0.000 0.000 13.716) 13.716 7.234 ( 0.000 0.000 -10.787) 10.787 7.624 ( 0.000 0.000 -28.558) 28.558 7.701 ( 0.000 0.000 -6.559) 6.559 7.778 ( 0.000 0.000 -10.076) 10.076 7.900 ( 0.000 0.000 10.718) 10.718 8.090 ( 0.000 0.000 4.879) 4.879 8.205 ( 0.000 0.000 -26.197) 26.197 8.391 ( 0.000 0.000 2.607) 2.607 8.543 ( 0.000 0.000 -4.092) 4.092 8.551 ( 0.000 0.000 10.444) 10.444 8.755 ( 0.000 0.000 -2.441) 2.441 8.756 ( 0.000 0.000 -11.276) 11.276 9.590 ( 0.000 0.000 -25.468) 25.468 9.677 ( 0.000 0.000 24.127) 24.127 9.890 ( 0.000 0.000 9.011) 9.011 9.905 ( 0.000 0.000 15.451) 15.451 10.218 ( 0.000 0.000 3.889) 3.889 10.302 ( 0.000 0.000 -5.549) 5.549 10.503 ( 0.000 0.000 -19.382) 19.382 10.563 ( 0.000 0.000 31.242) 31.242 10.881 ( 0.000 0.000 7.801) 7.801 11.297 ( 0.000 0.000 -10.396) 10.396 11.326 ( 0.000 0.000 2.864) 2.864 11.457 ( 0.000 0.000 -17.654) 17.654 11.617 ( 0.000 0.000 -1.724) 1.724 11.774 ( 0.000 0.000 7.201) 7.201 11.906 ( 0.000 0.000 10.213) 10.213 12.030 ( 0.000 0.000 -0.574) 0.574 12.156 ( 0.000 0.000 -5.928) 5.928 12.526 ( 0.000 0.000 4.314) 4.314 12.701 ( 0.000 0.000 -6.101) 6.101 12.820 ( 0.000 0.000 -7.039) 7.039 12.826 ( 0.000 0.000 -10.233) 10.233 12.843 ( 0.000 0.000 8.092) 8.092 13.083 ( 0.000 0.000 -3.143) 3.143 13.200 ( 0.000 0.000 24.652) 24.652 13.290 ( 0.000 0.000 -7.592) 7.592 13.390 ( 0.000 0.000 -13.057) 13.057 13.848 ( 0.000 0.000 0.626) 0.626 14.180 ( 0.000 0.000 9.036) 9.036 14.519 ( 0.000 0.000 -9.587) 9.587 15.127 ( 0.000 0.000 9.107) 9.107 15.151 ( 0.000 0.000 10.550) 10.550 15.589 ( 0.000 0.000 -11.992) 11.992 15.803 ( 0.000 0.000 11.786) 11.786 15.811 ( 0.000 0.000 -20.113) 20.113 15.877 ( 0.000 0.000 5.453) 5.453 16.183 ( 0.000 0.000 -4.695) 4.695 16.313 ( 0.000 0.000 -14.253) 14.253 16.713 ( 0.000 0.000 1.840) 1.840 16.903 ( 0.000 0.000 -9.457) 9.457 17.246 ( 0.000 0.000 4.329) 4.329 17.431 ( 0.000 0.000 -4.500) 4.500 17.638 ( 0.000 0.000 1.377) 1.377 17.699 ( 0.000 0.000 -2.956) 2.956 17.771 ( 0.000 0.000 2.075) 2.075 17.870 ( 0.000 0.000 -1.638) 1.638 17.960 ( 0.000 0.000 1.414) 1.414 17.968 ( 0.000 0.000 0.297) 0.297 18.744 ( 0.000 0.000 10.427) 10.427 18.979 ( 0.000 0.000 -1.505) 1.505 19.511 ( 0.000 0.000 3.971) 3.971 19.746 ( 0.000 0.000 -9.232) 9.232 20.277 ( 0.000 0.000 6.301) 6.301 20.846 ( 0.000 0.000 -21.816) 21.816 21.034 ( 0.000 0.000 3.141) 3.141 21.036 ( 0.000 0.000 1.038) 1.038 21.826 ( 0.000 0.000 17.397) 17.397 22.313 ( 0.000 0.000 -5.394) 5.394 23.137 ( 0.000 0.000 25.942) 25.942 24.273 ( 0.000 0.000 -30.661) 30.661 24.342 ( 0.000 0.000 21.704) 21.704 25.177 ( 0.000 0.000 -19.628) 19.628 25.381 ( 0.000 0.000 8.630) 8.630 25.796 ( 0.000 0.000 -12.471) 12.471 25.804 ( 0.000 0.000 16.086) 16.086 25.948 ( 0.000 0.000 2.981) 2.981 26.024 ( 0.000 0.000 0.879) 0.879 26.378 ( 0.000 0.000 -10.322) 10.322 27.076 ( 0.000 0.000 16.284) 16.284 27.330 ( 0.000 0.000 7.792) 7.792 27.378 ( 0.000 0.000 7.310) 7.310 27.477 ( 0.000 0.000 -5.172) 5.172 27.537 ( 0.000 0.000 6.347) 6.347 27.719 ( 0.000 0.000 -9.751) 9.751 27.765 ( 0.000 0.000 -4.532) 4.532 27.843 ( 0.000 0.000 -13.352) 13.352 28.012 ( 0.000 0.000 16.540) 16.540 28.336 ( 0.000 0.000 2.407) 2.407 28.410 ( 0.000 0.000 -4.742) 4.742 28.660 ( 0.000 0.000 12.177) 12.177 28.666 ( 0.000 0.000 -8.702) 8.702 28.944 ( 0.000 0.000 -3.602) 3.602 28.969 ( 0.000 0.000 -0.359) 0.359 29.022 ( 0.000 0.000 -2.377) 2.377 29.087 ( 0.000 0.000 0.712) 0.712 29.102 ( 0.000 0.000 0.488) 0.488 29.372 ( 0.000 0.000 -2.015) 2.015 29.450 ( 0.000 0.000 -9.124) 9.124 30.009 ( 0.000 0.000 4.180) 4.180 30.015 ( 0.000 0.000 0.713) 0.713 30.015 ( 0.000 0.000 0.892) 0.892 30.199 ( 0.000 0.000 -3.336) 3.336 30.223 ( 0.000 0.000 0.165) 0.165 30.258 ( 0.000 0.000 -1.025) 1.025 31.291 ( 0.000 0.000 10.917) 10.917 31.410 ( 0.000 0.000 22.375) 22.375 31.660 ( 0.000 0.000 -7.060) 7.060 32.255 ( 0.000 0.000 -19.533) 19.533 32.646 ( 0.000 0.000 9.120) 9.120 32.923 ( 0.000 0.000 -0.571) 0.571 32.992 ( 0.000 0.000 1.552) 1.552 33.045 ( 0.000 0.000 -1.972) 1.972 33.161 ( 0.000 0.000 -4.363) 4.363 33.238 ( 0.000 0.000 4.797) 4.797 33.274 ( 0.000 0.000 -5.610) 5.610 33.404 ( 0.000 0.000 -1.927) 1.927 33.736 ( 0.000 0.000 6.683) 6.683 33.962 ( 0.000 0.000 -5.058) 5.058 34.547 ( 0.000 0.000 1.299) 1.299 34.754 ( 0.000 0.000 -8.034) 8.034 ======================= Grid point 99 (34/64) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 12.617 0.000 37.566) 39.628 1.848 ( 15.388 0.000 33.888) 37.218 2.615 ( 3.132 0.000 19.706) 19.954 2.834 ( -1.895 0.000 -7.715) 7.944 2.883 ( 6.610 0.000 -9.550) 11.615 2.983 ( 3.193 0.000 -22.411) 22.637 3.088 ( 10.760 0.000 5.539) 12.101 3.203 ( -2.953 0.000 8.146) 8.665 3.336 ( 5.576 0.000 8.349) 10.040 3.348 ( 1.320 0.000 7.971) 8.080 3.380 ( -5.454 0.000 7.961) 9.650 3.646 ( -5.759 0.000 3.524) 6.752 3.738 ( 19.433 0.000 9.590) 21.670 3.746 ( 0.920 0.000 -0.293) 0.966 3.903 ( -0.338 0.000 -10.966) 10.971 3.955 ( 1.240 0.000 5.093) 5.242 4.140 ( -1.824 0.000 -2.144) 2.815 4.432 ( -1.031 0.000 0.147) 1.042 4.508 ( 6.133 0.000 -3.239) 6.936 4.693 ( 1.583 0.000 3.312) 3.670 4.855 ( 0.732 0.000 0.836) 1.111 4.950 ( -4.689 0.000 -13.183) 13.992 5.043 ( -5.713 0.000 -2.963) 6.436 5.221 ( -10.516 0.000 8.261) 13.372 5.326 ( 0.197 0.000 -6.694) 6.697 5.361 ( -1.042 0.000 -0.273) 1.077 5.666 ( -0.124 0.000 16.097) 16.098 5.822 ( -5.175 0.000 12.193) 13.245 6.117 ( 1.675 0.000 4.263) 4.580 6.192 ( -4.639 0.000 1.599) 4.907 6.387 ( -3.936 0.000 22.409) 22.753 6.428 ( 6.754 0.000 -18.036) 19.259 6.753 ( 2.329 0.000 -20.444) 20.576 6.936 ( -3.147 0.000 7.689) 8.308 7.247 ( 5.368 0.000 9.777) 11.154 7.263 ( -5.255 0.000 -5.908) 7.907 7.472 ( -6.753 0.000 -18.239) 19.449 7.666 ( -2.893 0.000 -4.125) 5.038 7.911 ( 9.433 0.000 -6.044) 11.203 7.978 ( 6.495 0.000 6.406) 9.123 8.087 ( -0.362 0.000 4.222) 4.238 8.245 ( 11.005 0.000 -17.105) 20.340 8.337 ( -4.803 0.000 3.367) 5.866 8.536 ( -1.626 0.000 -4.528) 4.811 8.640 ( -7.215 0.000 -1.561) 7.382 8.713 ( -5.748 0.000 -7.394) 9.365 8.768 ( 12.190 0.000 3.119) 12.583 9.323 ( -12.797 0.000 5.763) 14.035 9.854 ( -0.150 0.000 9.540) 9.541 9.959 ( 14.380 0.000 -1.102) 14.422 10.033 ( 7.812 0.000 10.419) 13.022 10.241 ( 2.882 0.000 -3.197) 4.304 10.253 ( -6.377 0.000 -5.319) 8.305 10.383 ( -10.598 0.000 18.210) 21.069 10.566 ( 4.469 0.000 -15.405) 16.040 10.925 ( 3.358 0.000 8.221) 8.880 11.229 ( -6.235 0.000 11.213) 12.830 11.328 ( -1.203 0.000 -9.494) 9.570 11.392 ( -5.729 0.000 -22.754) 23.464 11.540 ( -8.391 0.000 7.932) 11.547 11.817 ( 5.479 0.000 -3.315) 6.404 11.971 ( 8.527 0.000 14.387) 16.724 12.089 ( 4.005 0.000 -7.095) 8.147 12.269 ( 8.864 0.000 -1.883) 9.062 12.462 ( -5.471 0.000 5.991) 8.114 12.700 ( -0.285 0.000 -5.946) 5.953 12.723 ( -5.109 0.000 4.971) 7.128 12.793 ( -1.730 0.000 -7.956) 8.142 12.834 ( -1.202 0.000 -8.750) 8.832 13.096 ( -9.460 0.000 -14.106) 16.984 13.132 ( -6.028 0.000 23.687) 24.441 13.201 ( 4.232 0.000 3.287) 5.358 13.480 ( 3.888 0.000 -8.395) 9.251 13.746 ( -9.648 0.000 -0.181) 9.650 14.085 ( -5.550 0.000 10.065) 11.494 14.462 ( -5.296 0.000 -10.244) 11.532 15.188 ( 5.640 0.000 10.037) 11.514 15.204 ( 3.401 0.000 8.883) 9.512 15.587 ( -1.602 0.000 -8.383) 8.535 15.750 ( -3.432 0.000 8.679) 9.333 15.810 ( -4.951 0.000 3.378) 5.994 15.883 ( 5.601 0.000 -15.263) 16.259 16.139 ( -4.232 0.000 -6.717) 7.940 16.321 ( 0.236 0.000 -15.725) 15.727 16.737 ( 2.258 0.000 2.346) 3.256 16.889 ( -1.000 0.000 -6.196) 6.277 17.250 ( 0.513 0.000 4.879) 4.906 17.418 ( -1.398 0.000 -3.531) 3.798 17.628 ( -1.227 0.000 1.528) 1.960 17.672 ( -1.309 0.000 -1.007) 1.652 17.778 ( 0.741 0.000 1.083) 1.312 17.865 ( -0.479 0.000 -1.921) 1.979 17.959 ( 0.200 0.000 2.607) 2.614 17.977 ( 0.634 0.000 0.842) 1.054 18.923 ( 12.788 0.000 4.438) 13.536 19.045 ( 5.368 0.000 -0.733) 5.418 19.557 ( 4.597 0.000 4.389) 6.356 19.803 ( 5.325 0.000 -9.438) 10.836 20.294 ( 1.454 0.000 4.583) 4.809 20.777 ( -6.225 0.000 -17.589) 18.658 20.855 ( -12.745 0.000 5.516) 13.888 20.993 ( -7.684 0.000 -2.106) 7.967 21.881 ( 4.834 0.000 13.419) 14.263 22.282 ( -2.622 0.000 -4.508) 5.214 23.209 ( 6.957 0.000 25.723) 26.648 24.138 ( -8.746 0.000 2.273) 9.036 24.473 ( 7.936 0.000 -11.864) 14.273 25.108 ( -6.062 0.000 -20.441) 21.321 25.407 ( 2.458 0.000 9.254) 9.575 25.767 ( -3.225 0.000 14.750) 15.098 25.835 ( 3.615 0.000 -11.001) 11.579 26.045 ( 8.479 0.000 4.192) 9.458 26.102 ( 7.315 0.000 2.491) 7.727 26.341 ( -3.574 0.000 -10.789) 11.366 27.059 ( -1.830 0.000 14.192) 14.309 27.346 ( -3.519 0.000 3.075) 4.673 27.398 ( 6.597 0.000 9.828) 11.837 27.475 ( 0.190 0.000 -0.435) 0.475 27.536 ( -0.131 0.000 6.536) 6.538 27.683 ( -0.885 0.000 -1.302) 1.574 27.778 ( 1.320 0.000 -5.007) 5.178 27.854 ( 0.878 0.000 -11.882) 11.915 28.034 ( -0.042 0.000 10.467) 10.467 28.279 ( -5.556 0.000 0.070) 5.557 28.428 ( 3.301 0.000 3.495) 4.807 28.667 ( 2.729 0.000 3.983) 4.828 28.858 ( 13.137 0.000 -5.143) 14.107 28.963 ( -0.385 0.000 -0.193) 0.431 29.000 ( 5.311 0.000 -3.973) 6.633 29.015 ( -0.593 0.000 -2.323) 2.397 29.114 ( 2.496 0.000 0.966) 2.676 29.129 ( 2.318 0.000 0.507) 2.373 29.347 ( -1.804 0.000 -3.177) 3.654 29.435 ( -1.239 0.000 -9.718) 9.796 29.917 ( -8.276 0.000 1.694) 8.448 29.982 ( -2.231 0.000 1.394) 2.630 30.008 ( -1.500 0.000 0.641) 1.632 30.076 ( -10.503 0.000 -4.034) 11.251 30.221 ( -0.101 0.000 -0.238) 0.259 30.254 ( -0.361 0.000 -1.259) 1.310 31.271 ( -0.851 0.000 11.347) 11.379 31.482 ( 6.895 0.000 20.567) 21.692 31.632 ( -3.247 0.000 -6.490) 7.257 32.248 ( -1.474 0.000 -15.618) 15.687 32.611 ( -2.130 0.000 6.214) 6.569 32.690 ( -15.882 0.000 6.441) 17.139 32.915 ( -13.440 0.000 -4.780) 14.265 32.933 ( -0.468 0.000 -5.061) 5.083 33.168 ( 1.745 0.000 -0.843) 1.938 33.307 ( 3.147 0.000 -4.681) 5.641 33.332 ( 6.292 0.000 7.927) 10.121 33.472 ( 4.026 0.000 1.407) 4.264 33.697 ( -3.676 0.000 6.368) 7.353 33.911 ( -4.863 0.000 -4.760) 6.804 34.620 ( 6.516 0.000 1.169) 6.620 34.929 ( 10.130 0.000 -15.924) 18.873 ======================= Grid point 100 (35/64) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 20.999 0.000 28.726) 35.583 2.202 ( 17.608 0.000 21.285) 27.625 2.645 ( -1.601 0.000 9.762) 9.892 2.800 ( -0.261 0.000 -4.701) 4.708 2.917 ( -2.530 0.000 -6.795) 7.251 2.945 ( -12.789 0.000 -0.973) 12.826 3.095 ( -1.529 0.000 1.598) 2.212 3.266 ( 2.575 0.000 -9.628) 9.967 3.269 ( -5.631 0.000 -5.024) 7.547 3.421 ( 1.251 0.000 0.567) 1.374 3.507 ( 8.793 0.000 10.686) 13.839 3.661 ( 7.546 0.000 17.597) 19.146 3.797 ( 7.103 0.000 -3.053) 7.731 3.935 ( 6.631 0.000 -0.055) 6.631 4.012 ( 5.715 0.000 2.428) 6.210 4.101 ( -1.235 0.000 -4.964) 5.116 4.168 ( 17.980 0.000 -3.277) 18.276 4.440 ( 0.203 0.000 -3.446) 3.452 4.641 ( -20.992 0.000 2.430) 21.132 4.662 ( 1.443 0.000 -2.425) 2.822 4.705 ( -1.124 0.000 5.803) 5.911 4.836 ( 0.335 0.000 0.294) 0.446 4.981 ( -1.530 0.000 8.925) 9.055 5.031 ( 4.268 0.000 8.850) 9.825 5.252 ( -7.763 0.000 6.098) 9.871 5.587 ( 12.762 0.000 -18.652) 22.601 5.675 ( 2.186 0.000 10.519) 10.744 5.772 ( 2.271 0.000 14.377) 14.555 5.979 ( -12.148 0.000 2.780) 12.462 6.014 ( -8.830 0.000 -0.542) 8.846 6.287 ( -7.403 0.000 21.193) 22.449 6.646 ( 10.693 0.000 -18.460) 21.333 6.706 ( -22.167 0.000 -8.321) 23.677 6.803 ( 1.615 0.000 -18.989) 19.058 7.120 ( 4.492 0.000 1.172) 4.642 7.381 ( 7.192 0.000 4.515) 8.492 7.479 ( -2.016 0.000 -10.940) 11.124 7.597 ( -3.755 0.000 -2.262) 4.384 8.068 ( -0.561 0.000 0.936) 1.092 8.132 ( 7.425 0.000 6.254) 9.708 8.148 ( 14.240 0.000 8.273) 16.468 8.204 ( -7.459 0.000 2.791) 7.964 8.466 ( -5.060 0.000 0.357) 5.073 8.525 ( -4.263 0.000 2.349) 4.867 8.537 ( 11.306 0.000 -10.357) 15.333 8.583 ( -4.803 0.000 -6.883) 8.393 8.859 ( -1.006 0.000 13.934) 13.970 9.184 ( -2.137 0.000 2.619) 3.380 9.898 ( 4.205 0.000 4.995) 6.529 10.022 ( -9.586 0.000 13.159) 16.281 10.091 ( -2.757 0.000 8.808) 9.229 10.091 ( -2.377 0.000 -0.094) 2.379 10.384 ( 9.954 0.000 -4.590) 10.961 10.440 ( 13.960 0.000 -27.821) 31.127 10.622 ( 0.061 0.000 -11.573) 11.573 10.979 ( -1.022 0.000 -4.754) 4.863 11.167 ( 0.844 0.000 18.116) 18.136 11.176 ( -7.672 0.000 -14.046) 16.005 11.301 ( -4.878 0.000 -5.857) 7.623 11.365 ( -7.623 0.000 13.635) 15.621 11.941 ( 5.924 0.000 -8.135) 10.063 12.137 ( -0.624 0.000 -15.366) 15.378 12.199 ( 11.023 0.000 10.297) 15.084 12.372 ( -0.760 0.000 5.092) 5.149 12.457 ( 7.638 0.000 0.394) 7.648 12.633 ( -3.882 0.000 -0.853) 3.974 12.666 ( -4.912 0.000 -4.233) 6.484 12.767 ( -2.470 0.000 -4.393) 5.040 12.862 ( 8.390 0.000 -6.674) 10.721 12.911 ( -5.658 0.000 -7.794) 9.631 12.984 ( -7.560 0.000 19.143) 20.582 13.317 ( 5.694 0.000 3.682) 6.781 13.481 ( -15.629 0.000 -1.011) 15.662 13.501 ( -1.875 0.000 -0.782) 2.032 14.050 ( 2.577 0.000 1.801) 3.144 14.325 ( -7.740 0.000 -9.912) 12.576 15.264 ( 2.927 0.000 8.085) 8.598 15.336 ( 8.330 0.000 11.412) 14.129 15.484 ( -7.240 0.000 3.054) 7.858 15.676 ( -7.611 0.000 9.336) 12.045 15.744 ( 2.906 0.000 -1.974) 3.513 16.013 ( -7.781 0.000 -8.266) 11.352 16.034 ( 8.265 0.000 -16.876) 18.791 16.296 ( -3.100 0.000 -17.222) 17.499 16.795 ( 2.983 0.000 2.681) 4.011 16.871 ( -0.862 0.000 -1.130) 1.421 17.270 ( 1.558 0.000 4.533) 4.793 17.374 ( -2.768 0.000 -1.113) 2.983 17.610 ( -0.083 0.000 1.738) 1.740 17.649 ( -1.220 0.000 -0.093) 1.223 17.802 ( 1.494 0.000 -0.730) 1.663 17.852 ( -0.784 0.000 -2.225) 2.360 17.969 ( 0.686 0.000 2.889) 2.969 17.985 ( 0.136 0.000 1.756) 1.761 19.126 ( 6.092 0.000 1.395) 6.250 19.152 ( 4.474 0.000 -0.584) 4.512 19.701 ( 9.425 0.000 4.574) 10.476 19.930 ( 5.375 0.000 -7.993) 9.632 20.343 ( 3.792 0.000 2.451) 4.515 20.581 ( -11.591 0.000 5.486) 12.823 20.622 ( -8.352 0.000 -9.192) 12.420 20.764 ( -13.314 0.000 -4.351) 14.007 21.999 ( 6.257 0.000 6.476) 9.005 22.216 ( -3.906 0.000 -2.621) 4.704 23.406 ( 11.819 0.000 23.872) 26.637 23.929 ( -11.815 0.000 13.604) 18.018 24.638 ( 8.121 0.000 -22.534) 23.952 24.963 ( -7.704 0.000 -22.792) 24.059 25.476 ( 4.229 0.000 10.834) 11.630 25.680 ( -5.051 0.000 14.294) 15.160 25.942 ( 6.645 0.000 -11.350) 13.152 26.236 ( 9.162 0.000 7.939) 12.123 26.237 ( -6.412 0.000 -11.528) 13.191 26.288 ( 9.004 0.000 5.792) 10.706 27.015 ( -1.461 0.000 8.341) 8.468 27.226 ( -8.027 0.000 -1.714) 8.208 27.492 ( 1.265 0.000 5.838) 5.974 27.531 ( -0.459 0.000 7.064) 7.079 27.586 ( 11.228 0.000 14.756) 18.542 27.730 ( 5.136 0.000 2.898) 5.897 27.816 ( 2.207 0.000 -6.106) 6.493 27.868 ( 0.229 0.000 -9.487) 9.490 27.974 ( -5.386 0.000 9.019) 10.505 28.120 ( -9.815 0.000 5.979) 11.493 28.549 ( 7.560 0.000 2.573) 7.986 28.719 ( 1.383 0.000 5.843) 6.005 28.960 ( 0.266 0.000 0.132) 0.297 28.998 ( -1.088 0.000 -1.232) 1.643 29.107 ( 9.447 0.000 -7.962) 12.354 29.141 ( 7.576 0.000 -5.842) 9.567 29.172 ( 2.728 0.000 0.569) 2.786 29.181 ( 2.325 0.000 0.468) 2.371 29.319 ( -0.548 0.000 -7.355) 7.376 29.420 ( 0.342 0.000 -13.079) 13.083 29.720 ( -9.445 0.000 -1.362) 9.543 29.843 ( -11.163 0.000 -5.242) 12.332 29.938 ( -1.707 0.000 1.791) 2.474 29.963 ( -2.470 0.000 1.132) 2.717 30.222 ( 0.185 0.000 -1.073) 1.089 30.243 ( -0.661 0.000 -1.628) 1.757 31.291 ( 3.038 0.000 8.938) 9.440 31.527 ( -6.546 0.000 -2.203) 6.907 31.676 ( 11.585 0.000 15.744) 19.547 32.151 ( -8.492 0.000 -1.959) 8.715 32.472 ( -5.316 0.000 4.269) 6.818 32.620 ( 3.534 0.000 -4.411) 5.652 32.642 ( -12.022 0.000 -3.515) 12.526 32.867 ( -5.619 0.000 -10.445) 11.861 33.255 ( 6.312 0.000 3.436) 7.186 33.394 ( 4.762 0.000 -2.980) 5.618 33.445 ( 4.814 0.000 7.680) 9.064 33.530 ( 1.336 0.000 4.103) 4.315 33.601 ( -4.859 0.000 5.027) 6.991 33.776 ( -7.985 0.000 -3.917) 8.895 34.776 ( 8.127 0.000 -1.493) 8.262 35.021 ( -0.933 0.000 -14.190) 14.220 ======================= Grid point 101 (36/64) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -11.514 0.000 9.761) 15.095 2.509 ( 11.514 0.000 9.761) 15.095 2.550 ( -22.773 0.000 17.566) 28.761 2.550 ( 22.773 0.000 17.566) 28.761 2.847 ( -3.736 0.000 -4.125) 5.565 2.847 ( 3.736 0.000 -4.125) 5.565 3.115 ( -4.692 0.000 1.336) 4.878 3.115 ( 4.692 0.000 1.336) 4.878 3.375 ( -5.184 0.000 -12.070) 13.136 3.375 ( 5.184 0.000 -12.070) 13.136 3.667 ( -4.607 0.000 12.445) 13.270 3.667 ( 4.607 0.000 12.445) 13.270 3.970 ( -7.125 0.000 -2.018) 7.405 3.970 ( 7.125 0.000 -2.018) 7.405 4.204 ( -18.502 0.000 4.408) 19.020 4.204 ( 18.502 0.000 4.408) 19.020 4.300 ( -13.260 0.000 -9.076) 16.069 4.300 ( 13.260 0.000 -9.076) 16.069 4.479 ( -12.460 0.000 -4.015) 13.091 4.479 ( 12.460 0.000 -4.015) 13.091 4.782 ( -6.808 0.000 1.278) 6.927 4.782 ( 6.808 0.000 1.278) 6.927 5.050 ( -9.265 0.000 19.240) 21.355 5.050 ( 9.265 0.000 19.240) 21.355 5.429 ( -22.619 0.000 4.195) 23.004 5.429 ( 22.619 0.000 4.195) 23.004 5.775 ( -7.550 0.000 5.575) 9.385 5.775 ( 7.550 0.000 5.575) 9.385 5.931 ( -1.504 0.000 -2.834) 3.209 5.931 ( 1.504 0.000 -2.834) 3.209 6.275 ( -15.018 0.000 4.040) 15.552 6.275 ( 15.018 0.000 4.040) 15.552 6.792 ( -3.362 0.000 -20.172) 20.450 6.792 ( 3.362 0.000 -20.172) 20.450 7.322 ( -11.429 0.000 -3.321) 11.902 7.322 ( 11.429 0.000 -3.321) 11.902 7.511 ( -5.101 0.000 1.307) 5.266 7.511 ( 5.101 0.000 1.307) 5.266 8.082 ( -3.006 0.000 1.556) 3.385 8.082 ( 3.006 0.000 1.556) 3.385 8.303 ( -8.867 0.000 4.997) 10.178 8.303 ( 8.867 0.000 4.997) 10.178 8.453 ( -13.882 0.000 10.191) 17.221 8.453 ( 13.882 0.000 10.191) 17.221 8.518 ( -2.087 0.000 -2.176) 3.016 8.518 ( 2.087 0.000 -2.176) 3.016 9.034 ( -12.860 0.000 3.163) 13.243 9.034 ( 12.860 0.000 3.163) 13.243 9.987 ( -4.637 0.000 7.124) 8.500 9.987 ( 4.637 0.000 7.124) 8.500 10.002 ( -5.402 0.000 0.318) 5.411 10.002 ( 5.402 0.000 0.318) 5.411 10.558 ( -6.202 0.000 -8.585) 10.591 10.558 ( 6.202 0.000 -8.585) 10.591 10.764 ( -15.799 0.000 -29.047) 33.066 10.764 ( 15.799 0.000 -29.047) 33.066 11.190 ( -5.198 0.000 2.443) 5.744 11.190 ( 5.198 0.000 2.443) 5.744 11.237 ( -5.118 0.000 17.106) 17.856 11.237 ( 5.118 0.000 17.106) 17.856 12.057 ( -5.608 0.000 -9.655) 11.166 12.057 ( 5.608 0.000 -9.655) 11.166 12.392 ( -8.582 0.000 0.211) 8.585 12.392 ( 8.582 0.000 0.211) 8.585 12.476 ( -9.415 0.000 -7.188) 11.845 12.476 ( 9.415 0.000 -7.188) 11.845 12.766 ( -11.104 0.000 10.737) 15.446 12.766 ( 11.104 0.000 10.737) 15.446 12.819 ( -4.360 0.000 -2.166) 4.869 12.819 ( 4.360 0.000 -2.166) 4.869 13.147 ( -15.960 0.000 -1.446) 16.025 13.147 ( 15.960 0.000 -1.446) 16.025 13.426 ( -4.886 0.000 3.535) 6.031 13.426 ( 4.886 0.000 3.535) 6.031 14.164 ( -7.532 0.000 -6.517) 9.960 14.164 ( 7.532 0.000 -6.517) 9.960 15.347 ( -5.569 0.000 6.668) 8.688 15.347 ( 5.569 0.000 6.668) 8.688 15.510 ( -8.523 0.000 11.463) 14.285 15.510 ( 8.523 0.000 11.463) 14.285 15.851 ( -7.281 0.000 -6.108) 9.504 15.851 ( 7.281 0.000 -6.108) 9.504 16.193 ( -6.846 0.000 -17.084) 18.405 16.193 ( 6.846 0.000 -17.084) 18.405 16.845 ( -1.851 0.000 1.679) 2.499 16.845 ( 1.851 0.000 1.679) 2.499 17.315 ( -2.742 0.000 1.968) 3.375 17.315 ( 2.742 0.000 1.968) 3.375 17.623 ( -1.172 0.000 0.876) 1.464 17.623 ( 1.172 0.000 0.876) 1.464 17.832 ( -1.261 0.000 -1.894) 2.275 17.832 ( 1.261 0.000 -1.894) 2.275 17.982 ( -0.466 0.000 2.487) 2.530 17.982 ( 0.466 0.000 2.487) 2.530 19.192 ( -0.801 0.000 -0.166) 0.818 19.192 ( 0.801 0.000 -0.166) 0.818 19.905 ( -8.455 0.000 0.939) 8.507 19.905 ( 8.455 0.000 0.939) 8.507 20.458 ( -7.304 0.000 -1.719) 7.504 20.458 ( 7.304 0.000 -1.719) 7.504 20.527 ( -7.274 0.000 -2.174) 7.592 20.527 ( 7.274 0.000 -2.174) 7.592 22.121 ( -5.462 0.000 0.897) 5.535 22.121 ( 5.462 0.000 0.897) 5.535 23.668 ( -13.355 0.000 19.899) 23.965 23.668 ( 13.355 0.000 19.899) 23.965 24.802 ( -8.015 0.000 -24.684) 25.953 24.802 ( 8.015 0.000 -24.684) 25.953 25.573 ( -5.169 0.000 12.712) 13.723 25.573 ( 5.169 0.000 12.712) 13.723 26.091 ( -7.595 0.000 -11.624) 13.886 26.091 ( 7.595 0.000 -11.624) 13.886 26.369 ( -2.245 0.000 9.783) 10.037 26.369 ( 2.245 0.000 9.783) 10.037 27.060 ( -6.479 0.000 0.269) 6.485 27.060 ( 6.479 0.000 0.269) 6.485 27.516 ( -0.962 0.000 7.435) 7.497 27.516 ( 0.962 0.000 7.435) 7.497 27.801 ( -6.869 0.000 17.061) 18.391 27.801 ( 6.869 0.000 17.061) 18.391 27.856 ( -1.423 0.000 -7.636) 7.767 27.856 ( 1.423 0.000 -7.636) 7.767 27.912 ( -7.811 0.000 1.729) 8.000 27.912 ( 7.811 0.000 1.729) 8.000 28.687 ( -4.840 0.000 5.254) 7.143 28.687 ( 4.840 0.000 5.254) 7.143 28.975 ( -1.068 0.000 -0.080) 1.071 28.975 ( 1.068 0.000 -0.080) 1.071 29.206 ( -0.198 0.000 0.274) 0.338 29.206 ( 0.198 0.000 0.274) 0.338 29.213 ( -1.521 0.000 -7.726) 7.874 29.213 ( 1.521 0.000 -7.726) 7.874 29.382 ( -5.967 0.000 -13.915) 15.140 29.382 ( 5.967 0.000 -13.915) 15.140 29.659 ( -5.396 0.000 -2.848) 6.102 29.659 ( 5.396 0.000 -2.848) 6.102 29.926 ( -0.744 0.000 1.705) 1.861 29.926 ( 0.744 0.000 1.705) 1.861 30.230 ( -0.585 0.000 -1.632) 1.733 30.230 ( 0.585 0.000 -1.632) 1.733 31.390 ( -6.345 0.000 3.724) 7.357 31.390 ( 6.345 0.000 3.724) 7.357 31.928 ( -12.468 0.000 8.749) 15.231 31.928 ( 12.468 0.000 8.749) 15.231 32.466 ( -4.556 0.000 -0.270) 4.564 32.466 ( 4.556 0.000 -0.270) 4.564 32.733 ( -6.822 0.000 -10.200) 12.271 32.733 ( 6.822 0.000 -10.200) 12.271 33.391 ( -5.846 0.000 3.297) 6.712 33.391 ( 5.846 0.000 3.297) 6.712 33.520 ( -2.270 0.000 6.219) 6.620 33.520 ( 2.270 0.000 6.219) 6.620 33.613 ( -6.836 0.000 -2.017) 7.128 33.613 ( 6.836 0.000 -2.017) 7.128 34.932 ( -6.746 0.000 -7.411) 10.022 34.932 ( 6.746 0.000 -7.411) 10.022 ======================= Grid point 105 (37/64) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 15.330 34.481) 37.735 1.961 ( 0.000 25.330 31.831) 40.680 2.709 ( 0.000 4.400 7.133) 8.381 2.847 ( 0.000 -1.788 -4.089) 4.463 2.859 ( 0.000 8.278 -10.776) 13.589 2.968 ( 0.000 7.721 15.833) 17.616 2.974 ( 0.000 2.386 -18.620) 18.772 3.302 ( 0.000 2.249 29.621) 29.706 3.357 ( 0.000 1.786 16.292) 16.390 3.380 ( 0.000 5.038 -2.956) 5.841 3.387 ( 0.000 -1.424 -2.151) 2.579 3.463 ( 0.000 -4.058 -0.910) 4.159 3.561 ( 0.000 -9.570 -4.939) 10.769 3.778 ( 0.000 2.362 8.628) 8.946 3.892 ( 0.000 1.234 1.152) 1.688 4.049 ( 0.000 5.765 -6.576) 8.745 4.067 ( 0.000 -3.885 -5.437) 6.682 4.424 ( 0.000 -0.831 -6.401) 6.455 4.602 ( 0.000 5.606 4.507) 7.193 4.633 ( 0.000 -3.256 10.104) 10.616 4.822 ( 0.000 3.949 -3.225) 5.098 4.979 ( 0.000 2.141 -12.623) 12.803 5.154 ( 0.000 2.611 3.755) 4.574 5.226 ( 0.000 -9.978 19.772) 22.147 5.414 ( 0.000 9.590 -15.278) 18.038 5.557 ( 0.000 -3.485 11.513) 12.029 5.720 ( 0.000 5.635 4.806) 7.406 5.801 ( 0.000 -12.933 0.500) 12.942 5.896 ( 0.000 2.861 4.199) 5.082 6.198 ( 0.000 -7.652 5.195) 9.248 6.387 ( 0.000 7.061 -1.933) 7.321 6.398 ( 0.000 -1.184 2.905) 3.137 6.580 ( 0.000 -8.857 -14.511) 17.001 6.908 ( 0.000 -24.253 -7.551) 25.402 7.031 ( 0.000 -1.191 11.898) 11.957 7.204 ( 0.000 1.838 10.268) 10.431 7.443 ( 0.000 -9.867 -3.690) 10.534 7.636 ( 0.000 1.259 -27.811) 27.839 7.815 ( 0.000 -6.108 8.015) 10.077 7.884 ( 0.000 -4.351 -3.971) 5.891 8.248 ( 0.000 7.507 0.383) 7.517 8.294 ( 0.000 4.189 -18.403) 18.874 8.335 ( 0.000 -5.865 -2.584) 6.409 8.450 ( 0.000 -8.556 -3.433) 9.220 8.667 ( 0.000 12.770 6.461) 14.312 8.846 ( 0.000 7.563 -4.121) 8.613 9.046 ( 0.000 21.267 -5.881) 22.065 9.338 ( 0.000 -24.882 -8.524) 26.302 9.405 ( 0.000 -11.916 12.478) 17.253 9.708 ( 0.000 -6.456 -7.462) 9.867 10.117 ( 0.000 11.864 13.136) 17.701 10.241 ( 0.000 4.092 6.256) 7.476 10.275 ( 0.000 -3.589 -2.698) 4.490 10.443 ( 0.000 -0.262 -2.140) 2.156 10.707 ( 0.000 6.087 20.990) 21.855 11.082 ( 0.000 12.053 2.611) 12.332 11.196 ( 0.000 -4.863 1.283) 5.030 11.319 ( 0.000 -12.793 -4.650) 13.612 11.515 ( 0.000 -10.713 4.349) 11.562 11.556 ( 0.000 9.569 0.053) 9.569 11.623 ( 0.000 0.350 -7.457) 7.466 11.701 ( 0.000 -3.273 -0.323) 3.288 12.200 ( 0.000 2.178 -1.337) 2.555 12.368 ( 0.000 4.656 -2.603) 5.334 12.468 ( 0.000 -1.193 -3.819) 4.001 12.597 ( 0.000 -8.118 -6.005) 10.097 12.669 ( 0.000 -6.005 4.606) 7.568 12.903 ( 0.000 10.811 8.817) 13.951 12.975 ( 0.000 1.103 8.543) 8.614 13.047 ( 0.000 -0.114 -11.748) 11.749 13.325 ( 0.000 5.546 -8.852) 10.446 13.381 ( 0.000 16.775 -5.203) 17.563 13.633 ( 0.000 16.202 1.565) 16.278 13.935 ( 0.000 1.712 1.251) 2.120 14.211 ( 0.000 8.695 11.791) 14.651 14.516 ( 0.000 0.703 -7.921) 7.952 15.105 ( 0.000 -3.927 10.141) 10.875 15.182 ( 0.000 4.045 7.308) 8.353 15.534 ( 0.000 -4.624 -10.320) 11.308 15.689 ( 0.000 -8.415 7.281) 11.128 15.871 ( 0.000 3.603 -16.203) 16.598 15.911 ( 0.000 2.919 3.889) 4.863 16.087 ( 0.000 -7.787 -6.077) 9.877 16.207 ( 0.000 -8.373 -7.966) 11.557 16.783 ( 0.000 5.565 -3.583) 6.618 16.865 ( 0.000 -2.298 -8.251) 8.565 17.306 ( 0.000 3.929 2.405) 4.607 17.372 ( 0.000 -11.986 0.568) 11.999 17.523 ( 0.000 -10.079 0.013) 10.079 17.584 ( 0.000 -4.556 -4.407) 6.339 17.772 ( 0.000 -8.503 2.572) 8.883 17.825 ( 0.000 4.342 -0.613) 4.385 17.871 ( 0.000 -5.805 2.184) 6.203 17.911 ( 0.000 -2.217 -1.376) 2.610 18.742 ( 0.000 -2.741 3.370) 4.344 18.769 ( 0.000 -16.271 1.290) 16.322 19.512 ( 0.000 3.174 7.254) 7.918 19.891 ( 0.000 9.238 -11.409) 14.680 20.496 ( 0.000 18.791 4.749) 19.382 20.914 ( 0.000 7.197 -15.595) 17.176 21.157 ( 0.000 7.096 3.373) 7.857 21.173 ( 0.000 9.893 0.670) 9.915 21.720 ( 0.000 -8.416 16.038) 18.113 22.137 ( 0.000 -11.760 -4.959) 12.763 23.470 ( 0.000 25.943 22.118) 34.092 24.327 ( 0.000 -1.365 18.999) 19.048 24.452 ( 0.000 14.956 -26.919) 30.794 25.021 ( 0.000 -11.397 -12.048) 16.584 25.448 ( 0.000 4.207 0.290) 4.217 25.679 ( 0.000 -11.168 15.717) 19.281 25.745 ( 0.000 -3.833 -11.121) 11.763 26.106 ( 0.000 9.308 -3.060) 9.798 26.137 ( 0.000 9.763 3.080) 10.238 26.330 ( 0.000 -1.218 -10.892) 10.960 27.123 ( 0.000 4.169 15.246) 15.806 27.227 ( 0.000 -8.007 7.282) 10.823 27.391 ( 0.000 0.134 5.392) 5.393 27.513 ( 0.000 1.473 -2.404) 2.819 27.535 ( 0.000 0.164 3.628) 3.632 27.738 ( 0.000 2.241 -4.185) 4.747 27.774 ( 0.000 0.405 -2.522) 2.554 27.888 ( 0.000 4.187 -9.237) 10.142 28.041 ( 0.000 2.985 10.592) 11.004 28.287 ( 0.000 -4.116 2.250) 4.691 28.365 ( 0.000 -4.307 -3.526) 5.566 28.601 ( 0.000 -5.562 -8.815) 10.424 28.635 ( 0.000 -3.765 11.237) 11.851 28.857 ( 0.000 -13.251 7.900) 15.427 28.878 ( 0.000 -7.165 -2.405) 7.558 28.958 ( 0.000 0.152 -2.727) 2.731 29.089 ( 0.000 1.674 0.873) 1.888 29.118 ( 0.000 1.285 0.099) 1.289 29.355 ( 0.000 -1.102 -2.019) 2.300 29.395 ( 0.000 -3.556 -6.581) 7.480 29.716 ( 0.000 -12.830 8.459) 15.368 29.943 ( 0.000 -8.549 2.953) 9.045 29.956 ( 0.000 -6.841 -2.704) 7.356 30.022 ( 0.000 -12.987 -1.221) 13.044 30.202 ( 0.000 -4.711 2.472) 5.321 30.250 ( 0.000 -2.757 -0.419) 2.789 31.491 ( 0.000 14.775 -2.972) 15.071 31.548 ( 0.000 11.617 20.615) 23.663 31.651 ( 0.000 1.116 -6.403) 6.499 32.291 ( 0.000 2.323 -13.475) 13.673 32.652 ( 0.000 0.183 8.022) 8.024 32.729 ( 0.000 -6.157 3.439) 7.052 32.957 ( 0.000 -7.046 -5.724) 9.079 32.969 ( 0.000 -2.757 -6.372) 6.943 33.300 ( 0.000 -1.706 -2.212) 2.794 33.300 ( 0.000 3.415 -1.767) 3.845 33.389 ( 0.000 12.945 2.871) 13.259 33.504 ( 0.000 8.773 -1.111) 8.843 33.687 ( 0.000 -2.083 7.908) 8.177 34.030 ( 0.000 3.567 -8.936) 9.621 34.566 ( 0.000 3.380 5.222) 6.221 34.906 ( 0.000 9.380 -12.608) 15.714 ======================= Grid point 106 (38/64) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 6.376 14.942 32.439) 36.280 2.103 ( 12.723 19.299 27.977) 36.291 2.718 ( 0.369 4.674 4.520) 6.512 2.813 ( -1.956 -0.275 -5.604) 5.942 2.926 ( 2.280 4.909 -10.425) 11.746 2.981 ( 3.482 0.191 -4.113) 5.392 3.104 ( 4.802 0.847 -7.813) 9.209 3.230 ( -2.682 3.438 8.803) 9.824 3.336 ( -5.097 -1.744 7.553) 9.277 3.380 ( 2.845 0.369 9.291) 9.723 3.442 ( 5.334 4.720 2.407) 7.518 3.566 ( 4.664 -2.754 1.676) 5.670 3.616 ( 10.597 -10.531 8.686) 17.281 3.762 ( -0.256 5.236 11.696) 12.817 3.912 ( -2.260 -5.076 -0.082) 5.557 4.002 ( 4.221 5.943 -8.523) 11.215 4.113 ( 1.559 2.206 -2.857) 3.932 4.437 ( -0.652 0.830 -3.058) 3.234 4.570 ( -1.688 -7.609 9.318) 12.148 4.649 ( 3.828 6.329 5.516) 9.227 4.853 ( 1.556 3.929 -2.638) 4.981 5.052 ( 3.357 4.571 -8.023) 9.825 5.097 ( -6.100 0.305 6.607) 8.998 5.224 ( 2.748 -4.254 9.014) 10.339 5.261 ( -14.030 8.315 -6.669) 17.620 5.540 ( -5.834 6.082 -1.419) 8.546 5.625 ( 1.836 -1.749 11.662) 11.934 5.791 ( 0.606 -6.420 3.719) 7.444 5.956 ( 0.813 -0.851 0.993) 1.540 6.283 ( 0.988 -6.217 -9.177) 11.129 6.365 ( 1.581 -1.311 6.645) 6.955 6.400 ( -5.384 0.236 8.239) 9.845 6.535 ( 2.576 -4.065 -10.182) 11.262 6.996 ( 7.166 -6.504 -2.891) 10.100 7.087 ( 0.979 -9.387 7.747) 12.210 7.230 ( 2.684 -1.964 3.292) 4.679 7.449 ( 3.981 -13.922 -7.669) 16.386 7.558 ( -7.196 4.602 -10.790) 13.762 7.845 ( 5.866 -4.511 -7.794) 10.748 8.003 ( -0.989 -0.822 0.075) 1.288 8.061 ( -2.754 -0.423 -2.676) 3.863 8.273 ( -4.580 -5.418 3.369) 7.853 8.323 ( 0.044 -0.379 -12.808) 12.814 8.449 ( -0.594 -6.945 -5.395) 8.814 8.657 ( -7.166 5.825 4.368) 10.216 8.887 ( 2.618 9.000 0.212) 9.376 9.025 ( -9.453 -2.714 -0.031) 9.834 9.118 ( 1.573 9.105 -1.412) 9.347 9.572 ( 5.153 -18.715 1.476) 19.467 9.872 ( 12.512 -4.347 -9.589) 16.352 10.146 ( 2.835 5.490 8.703) 10.673 10.226 ( -1.637 3.720 7.156) 8.229 10.278 ( 1.406 -0.290 -3.649) 3.921 10.402 ( -5.471 4.710 11.112) 13.251 10.637 ( -1.574 2.825 1.529) 3.577 11.099 ( -3.024 6.890 -3.341) 8.233 11.183 ( 0.672 -2.282 10.382) 10.651 11.236 ( -3.953 -7.652 4.174) 9.571 11.455 ( -6.616 -1.439 -5.219) 8.548 11.558 ( 1.144 6.825 -7.275) 10.041 11.728 ( 7.857 -7.529 -1.185) 10.946 11.823 ( 9.416 2.283 -4.958) 10.884 12.235 ( 5.803 -1.641 3.415) 6.930 12.338 ( -4.876 -3.150 0.725) 5.850 12.520 ( -4.234 -11.192 -2.028) 12.136 12.556 ( 5.925 12.239 -2.794) 13.881 12.682 ( -0.656 -0.723 0.289) 1.018 12.813 ( -3.252 5.577 3.629) 7.406 12.947 ( -4.214 -4.225 5.739) 8.280 13.063 ( -0.313 8.743 -7.983) 11.843 13.288 ( -7.554 18.680 -8.319) 21.799 13.324 ( 1.580 1.841 -3.267) 4.069 13.628 ( -1.418 13.823 2.498) 14.119 13.920 ( -3.172 8.852 -2.714) 9.787 14.077 ( -9.349 4.626 13.315) 16.914 14.445 ( -6.334 -0.428 -8.601) 10.690 15.132 ( 1.948 -5.148 8.768) 10.352 15.252 ( 6.305 4.077 9.044) 11.755 15.515 ( -2.866 -6.052 -6.819) 9.557 15.647 ( -2.847 -8.406 7.617) 11.695 15.855 ( -3.984 3.765 1.952) 5.819 15.923 ( 3.437 1.921 -13.708) 14.262 16.054 ( -2.814 -6.647 -8.984) 11.524 16.227 ( 1.125 -7.417 -9.528) 12.127 16.795 ( 1.200 3.985 -2.619) 4.917 16.864 ( 0.301 -0.523 -5.053) 5.089 17.323 ( 1.347 4.123 2.893) 5.213 17.399 ( 2.335 -7.573 0.588) 7.946 17.517 ( -0.890 -7.321 0.446) 7.388 17.572 ( -0.915 -5.524 -3.777) 6.754 17.751 ( -1.175 -5.259 3.252) 6.294 17.846 ( 1.433 -0.428 -1.849) 2.378 17.865 ( -0.643 -5.997 2.222) 6.427 17.914 ( 0.096 -2.852 -1.047) 3.039 18.804 ( 3.859 -15.603 1.775) 16.171 18.842 ( 6.493 -10.375 -0.408) 12.246 19.575 ( 6.314 4.192 7.709) 10.811 19.939 ( 4.432 8.781 -10.202) 14.171 20.528 ( 2.870 19.267 2.845) 19.686 20.839 ( -7.658 6.377 -8.663) 13.204 21.015 ( -8.794 12.024 2.361) 15.083 21.129 ( -7.452 8.699 -1.710) 11.582 21.772 ( 4.466 -8.640 12.070) 15.501 22.107 ( -2.535 -12.134 -4.053) 13.042 23.513 ( 4.330 23.987 22.331) 33.057 24.209 ( -7.548 4.585 11.006) 14.111 24.581 ( 8.064 10.205 -19.637) 23.554 25.002 ( -1.864 -9.252 -14.154) 17.012 25.442 ( -0.389 3.467 1.810) 3.930 25.647 ( -2.789 -10.602 15.263) 18.792 25.779 ( 3.295 -4.353 -11.071) 12.344 26.147 ( 2.965 2.836 -3.242) 5.229 26.205 ( 6.217 8.721 4.140) 11.483 26.319 ( 0.140 3.733 -7.785) 8.635 27.104 ( -2.030 4.096 13.362) 14.123 27.272 ( 3.079 -7.669 6.514) 10.522 27.378 ( 0.213 0.369 4.932) 4.950 27.519 ( 0.320 1.270 1.988) 2.380 27.544 ( 1.149 0.452 4.774) 4.931 27.690 ( -2.213 2.087 0.560) 3.092 27.800 ( 2.289 1.474 -2.733) 3.858 27.912 ( 1.390 5.271 -10.181) 11.548 28.041 ( -1.158 1.230 7.702) 7.885 28.241 ( -4.709 -3.603 0.548) 5.955 28.376 ( 2.737 -4.418 2.304) 5.685 28.603 ( 1.420 -6.145 2.525) 6.794 28.765 ( 6.827 -12.211 0.283) 13.993 28.875 ( 3.222 -8.902 -2.690) 9.842 28.933 ( 5.121 -3.114 0.500) 6.014 29.004 ( 3.562 -0.507 -2.751) 4.529 29.097 ( 1.393 0.190 0.792) 1.613 29.111 ( -0.776 -0.059 0.518) 0.935 29.339 ( -1.216 -0.749 -2.246) 2.661 29.392 ( -0.053 -2.596 -7.002) 7.469 29.690 ( -3.007 -11.252 4.801) 12.597 29.861 ( -6.752 -12.177 -1.330) 13.987 29.953 ( -0.929 -3.775 0.628) 3.938 30.007 ( -1.195 -6.270 -0.598) 6.411 30.195 ( -0.544 -5.646 2.289) 6.117 30.248 ( -0.295 -2.499 -0.915) 2.678 31.447 ( -2.937 14.564 -0.048) 14.857 31.606 ( 3.761 8.363 14.403) 17.074 31.632 ( -0.504 4.243 -2.130) 4.774 32.285 ( -1.244 2.175 -10.795) 11.082 32.576 ( -5.394 -0.350 6.473) 8.433 32.739 ( -3.397 1.573 2.068) 4.277 32.834 ( -4.859 -1.695 -5.113) 7.255 33.029 ( -5.466 -0.836 -7.072) 8.977 33.100 ( -1.787 -4.022 2.511) 5.067 33.226 ( -5.579 -0.028 -4.930) 7.445 33.371 ( -0.646 0.071 8.089) 8.115 33.584 ( 1.419 3.192 -2.317) 4.192 33.754 ( 4.086 7.518 6.744) 10.895 34.040 ( -0.066 9.740 -7.118) 12.064 34.612 ( 4.603 0.294 4.293) 6.301 34.973 ( 3.891 2.784 -14.651) 15.412 ======================= Grid point 107 (39/64) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 12.718 4.856 25.781) 29.154 2.389 ( 13.399 12.027 17.675) 25.231 2.704 ( -5.324 3.956 5.710) 8.752 2.763 ( -0.800 -1.909 -2.200) 3.020 2.882 ( -8.427 -3.178 -3.043) 9.507 2.940 ( -6.178 0.898 -0.945) 6.314 3.069 ( -0.827 -1.101 -0.290) 1.407 3.218 ( -6.969 -4.040 -3.236) 8.681 3.311 ( 6.863 2.561 -6.786) 9.986 3.423 ( 1.409 -0.494 -4.414) 4.660 3.589 ( 5.231 2.183 6.124) 8.344 3.676 ( -0.883 -3.364 7.448) 8.220 3.757 ( 10.348 -0.062 1.573) 10.467 3.916 ( 6.224 -3.725 9.495) 11.949 3.937 ( 10.667 -0.269 5.879) 12.183 4.116 ( 4.385 5.777 -4.464) 8.516 4.220 ( 11.058 1.196 -4.474) 11.989 4.416 ( -2.571 -0.195 -3.636) 4.457 4.547 ( 1.112 -7.641 13.477) 15.532 4.755 ( -7.390 4.522 3.235) 9.248 4.853 ( -8.853 6.409 4.949) 11.998 4.865 ( 2.502 11.573 -0.313) 11.845 4.993 ( -2.705 3.314 -0.995) 4.392 5.071 ( -2.729 5.800 4.194) 7.660 5.401 ( 8.434 5.035 3.196) 10.330 5.533 ( 5.089 -3.126 -0.798) 6.026 5.653 ( 1.958 -2.242 4.806) 5.653 5.837 ( 3.708 0.959 2.596) 4.627 5.898 ( -6.244 1.284 1.780) 6.618 6.103 ( -11.183 4.030 -1.770) 12.018 6.271 ( -9.513 -4.208 6.276) 12.149 6.388 ( -4.598 -6.530 6.010) 9.995 6.674 ( 10.031 -1.112 -10.045) 14.239 7.020 ( -7.883 4.237 -7.911) 11.945 7.087 ( 6.536 0.095 0.636) 6.568 7.329 ( 1.015 -8.828 -2.721) 9.294 7.546 ( 9.027 4.228 -1.631) 10.101 7.573 ( 6.664 -7.056 -1.413) 9.808 7.921 ( -1.162 -4.840 1.846) 5.309 7.933 ( 0.284 -11.766 -5.137) 12.841 8.058 ( -2.511 -5.547 0.259) 6.094 8.152 ( -6.906 -6.172 -0.967) 9.312 8.346 ( 0.280 -6.914 -5.093) 8.591 8.390 ( -3.377 -5.012 -6.282) 8.717 8.542 ( -2.483 0.761 7.505) 7.941 8.701 ( -11.279 -14.955 16.185) 24.755 9.023 ( 5.177 12.686 -10.864) 17.486 9.212 ( 2.172 11.699 -5.422) 13.076 9.645 ( 3.389 -12.192 2.168) 12.838 9.950 ( -7.904 -1.513 14.755) 16.807 10.176 ( 1.500 5.089 4.130) 6.724 10.265 ( 3.502 8.006 -3.247) 9.322 10.338 ( 5.668 1.947 2.008) 6.321 10.400 ( 6.616 -2.684 -8.490) 11.093 10.655 ( 2.492 0.790 -8.454) 8.849 10.978 ( -7.058 -3.847 -6.622) 10.415 11.134 ( -2.061 -3.347 10.324) 11.047 11.259 ( -8.248 1.023 -3.989) 9.219 11.329 ( 5.977 10.719 4.186) 12.967 11.561 ( -1.421 8.588 -7.581) 11.543 11.913 ( 9.014 -6.647 -3.881) 11.853 12.000 ( 7.641 0.128 -6.247) 9.870 12.199 ( -7.734 -2.487 -0.587) 8.145 12.381 ( -4.977 -8.315 -3.883) 10.440 12.429 ( 6.484 -8.099 6.367) 12.173 12.608 ( -1.774 8.250 10.273) 13.295 12.673 ( 2.388 2.665 -1.234) 3.785 12.834 ( -3.563 -3.446 0.958) 5.049 12.896 ( 7.324 7.876 -5.427) 12.047 13.025 ( -4.265 11.968 -7.623) 14.817 13.134 ( -3.596 15.744 0.489) 16.157 13.401 ( 3.084 3.782 -3.568) 6.045 13.569 ( -3.891 13.056 2.489) 13.849 13.706 ( -13.337 13.921 4.688) 19.841 14.018 ( 1.800 -1.809 0.851) 2.690 14.284 ( -8.932 -2.743 -8.650) 12.733 15.177 ( 2.737 -6.446 7.942) 10.589 15.380 ( -1.768 -4.471 4.511) 6.592 15.422 ( 2.493 1.930 8.617) 9.176 15.642 ( 1.660 -7.400 1.586) 7.748 15.748 ( -5.206 4.374 5.605) 8.811 15.919 ( -5.803 -7.235 -7.855) 12.154 16.061 ( 4.845 0.754 -17.117) 17.806 16.226 ( -1.517 -5.776 -12.665) 14.003 16.832 ( 2.335 2.535 -0.125) 3.449 16.878 ( 0.666 2.430 -1.665) 3.020 17.353 ( 1.617 4.685 3.957) 6.342 17.430 ( -0.448 2.473 0.573) 2.578 17.502 ( 0.408 -8.069 0.984) 8.139 17.551 ( -1.139 -6.591 -2.554) 7.159 17.746 ( 0.895 -5.640 2.135) 6.097 17.832 ( -2.127 -3.143 0.217) 3.801 17.880 ( 1.320 -6.169 -0.647) 6.341 17.912 ( -0.318 -4.030 -0.489) 4.072 18.884 ( 3.618 -18.617 0.629) 18.976 18.940 ( 2.307 -15.817 -2.384) 16.161 19.762 ( 11.479 5.924 7.071) 14.726 20.043 ( 4.154 7.784 -7.393) 11.511 20.589 ( 0.215 15.862 2.783) 16.106 20.653 ( -5.031 9.435 1.043) 10.743 20.837 ( -9.615 15.641 -2.065) 18.476 20.919 ( -10.730 12.548 -3.199) 16.817 21.874 ( 5.112 -10.004 5.461) 12.492 22.047 ( -3.263 -12.508 -2.484) 13.163 23.646 ( 8.471 19.486 21.548) 30.262 24.041 ( -9.113 9.165 14.577) 19.482 24.732 ( 6.624 7.763 -22.760) 24.943 24.945 ( -3.767 -3.343 -18.979) 19.636 25.448 ( 1.275 -0.769 6.422) 6.592 25.576 ( -3.989 -8.691 13.848) 16.829 25.874 ( 5.881 -5.615 -11.620) 14.183 26.133 ( -4.634 -7.648 -10.988) 14.167 26.351 ( 7.720 8.772 7.781) 14.039 26.416 ( 7.377 10.829 3.999) 13.700 27.054 ( -1.671 3.553 8.320) 9.199 27.244 ( -5.872 0.786 -0.599) 5.954 27.457 ( 5.408 -3.206 9.355) 11.272 27.522 ( 0.123 0.138 6.721) 6.723 27.598 ( 4.767 -0.700 8.389) 9.674 27.702 ( 3.475 -0.079 3.750) 5.113 27.850 ( 1.829 1.509 -1.612) 2.867 27.928 ( -0.111 5.196 -7.383) 9.029 27.982 ( -3.319 1.852 3.938) 5.473 28.101 ( -8.652 -1.533 6.334) 10.832 28.483 ( 6.652 -5.784 1.374) 8.922 28.634 ( 0.829 -7.524 3.750) 8.447 28.862 ( 4.487 -18.028 -3.299) 18.869 28.936 ( 2.315 -6.464 -4.649) 8.291 29.007 ( -0.858 -0.953 -2.396) 2.717 29.073 ( -2.099 -2.773 -2.877) 4.514 29.119 ( 6.662 -2.043 -0.677) 7.001 29.182 ( 5.417 -1.988 -1.383) 5.934 29.324 ( 0.797 -0.000 -2.813) 2.924 29.409 ( 1.693 -0.524 -7.746) 7.946 29.593 ( -5.525 -7.667 0.597) 9.469 29.702 ( -8.020 -10.278 -3.309) 13.450 29.932 ( -0.734 -1.065 1.703) 2.139 29.976 ( -1.930 -0.429 0.210) 1.989 30.190 ( 0.336 -5.548 0.834) 5.621 30.234 ( -1.012 -2.641 -1.521) 3.212 31.415 ( 0.272 12.207 1.621) 12.317 31.546 ( -4.608 4.251 -3.176) 7.027 31.782 ( 10.313 9.002 14.115) 19.663 32.206 ( -7.053 3.889 -1.397) 8.175 32.470 ( -3.680 1.067 4.099) 5.611 32.631 ( -9.281 0.385 -4.488) 10.316 32.713 ( -0.141 6.007 -3.935) 7.183 32.929 ( -5.687 4.072 -10.006) 12.208 33.145 ( 5.102 -9.447 2.649) 11.059 33.223 ( 4.141 -9.358 -0.316) 10.238 33.353 ( -1.704 -6.291 6.823) 9.436 33.516 ( -6.654 -2.643 -0.313) 7.166 33.846 ( 4.594 16.205 4.419) 17.413 34.005 ( -3.036 16.714 -2.825) 17.221 34.738 ( 7.158 -3.195 0.208) 7.842 34.988 ( -2.713 -2.969 -12.068) 12.721 ======================= Grid point 108 (40/64) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -16.038 -3.808 15.040) 22.314 2.415 ( 16.038 -3.808 15.040) 22.314 2.649 ( -9.218 4.209 6.297) 11.931 2.649 ( 9.218 4.209 6.297) 11.931 2.845 ( -4.257 0.790 -1.601) 4.617 2.845 ( 4.257 0.790 -1.601) 4.617 3.090 ( -3.619 -0.811 1.728) 4.091 3.090 ( 3.619 -0.811 1.728) 4.091 3.427 ( -2.534 1.990 -9.932) 10.442 3.427 ( 2.534 1.990 -9.932) 10.442 3.654 ( -1.570 -2.597 7.049) 7.674 3.654 ( 1.570 -2.597 7.049) 7.674 3.886 ( -6.130 -4.219 1.825) 7.662 3.886 ( 6.130 -4.219 1.825) 7.662 4.236 ( -8.466 -1.225 -2.069) 8.801 4.236 ( 8.466 -1.225 -2.069) 8.801 4.312 ( -9.615 3.485 2.125) 10.445 4.312 ( 9.615 3.485 2.125) 10.445 4.550 ( -5.818 6.386 1.925) 8.851 4.550 ( 5.818 6.386 1.925) 8.851 4.833 ( -7.623 4.355 0.369) 8.787 4.833 ( 7.623 4.355 0.369) 8.787 5.053 ( -1.230 4.345 8.087) 9.263 5.053 ( 1.230 4.345 8.087) 9.263 5.583 ( -7.209 3.141 2.141) 8.149 5.583 ( 7.209 3.141 2.141) 8.149 5.721 ( -6.933 1.954 8.413) 11.076 5.721 ( 6.933 1.954 8.413) 11.076 5.915 ( -4.802 -3.363 -8.061) 9.968 5.915 ( 4.802 -3.363 -8.061) 9.968 6.227 ( -8.166 1.796 10.729) 13.602 6.227 ( 8.166 1.796 10.729) 13.602 6.863 ( -7.851 1.483 -12.621) 14.937 6.863 ( 7.851 1.483 -12.621) 14.937 7.249 ( -7.345 -2.985 -1.700) 8.109 7.249 ( 7.345 -2.985 -1.700) 8.109 7.681 ( -2.956 10.478 1.879) 11.048 7.681 ( 2.956 10.478 1.879) 11.048 7.899 ( -2.686 -20.320 0.211) 20.497 7.899 ( 2.686 -20.320 0.211) 20.497 8.051 ( -2.853 -7.556 -0.253) 8.081 8.051 ( 2.853 -7.556 -0.253) 8.081 8.336 ( -1.362 -9.589 -2.616) 10.032 8.336 ( 1.362 -9.589 -2.616) 10.032 8.557 ( -3.569 -6.069 11.095) 13.140 8.557 ( 3.569 -6.069 11.095) 13.140 9.156 ( -6.492 8.808 -10.828) 15.394 9.156 ( 6.492 8.808 -10.828) 15.394 9.761 ( -8.204 -3.650 11.682) 14.734 9.761 ( 8.204 -3.650 11.682) 14.734 10.235 ( -3.061 9.784 3.063) 10.699 10.235 ( 3.061 9.784 3.063) 10.699 10.465 ( -2.409 -4.682 -4.902) 7.194 10.465 ( 2.409 -4.682 -4.902) 7.194 10.792 ( -10.539 -0.138 -19.436) 22.110 10.792 ( 10.539 -0.138 -19.436) 22.110 11.135 ( -2.538 -0.977 8.857) 9.265 11.135 ( 2.538 -0.977 8.857) 9.265 11.478 ( -6.657 11.871 -1.034) 13.650 11.478 ( 6.657 11.871 -1.034) 13.650 12.057 ( -5.883 -2.785 -3.191) 7.249 12.057 ( 5.883 -2.785 -3.191) 7.249 12.184 ( -10.574 -6.402 -7.092) 14.251 12.184 ( 10.574 -6.402 -7.092) 14.251 12.560 ( -3.733 -7.668 8.167) 11.809 12.560 ( 3.733 -7.668 8.167) 11.809 12.762 ( -5.241 7.504 0.364) 9.161 12.762 ( 5.241 7.504 0.364) 9.161 12.957 ( -3.458 11.025 -4.277) 12.321 12.957 ( 3.458 11.025 -4.277) 12.321 13.266 ( -13.471 9.859 -1.092) 16.729 13.266 ( 13.471 9.859 -1.092) 16.729 13.556 ( -3.200 12.348 4.119) 13.404 13.556 ( 3.200 12.348 4.119) 13.404 14.111 ( -7.205 -4.063 -6.150) 10.307 14.111 ( 7.205 -4.063 -6.150) 10.307 15.258 ( -5.411 -7.184 6.173) 10.908 15.258 ( 5.411 -7.184 6.173) 10.908 15.570 ( -7.403 3.801 10.222) 13.182 15.570 ( 7.403 3.801 10.222) 13.182 15.779 ( -6.567 -5.673 -4.979) 10.005 15.779 ( 6.567 -5.673 -4.979) 10.005 16.164 ( -4.416 -2.877 -15.256) 16.141 16.164 ( 4.416 -2.877 -15.256) 16.141 16.874 ( -1.303 3.077 0.129) 3.344 16.874 ( 1.303 3.077 0.129) 3.344 17.393 ( -2.279 4.745 3.043) 6.080 17.393 ( 2.279 4.745 3.043) 6.080 17.526 ( -1.346 -6.981 -0.975) 7.176 17.526 ( 1.346 -6.981 -0.975) 7.176 17.783 ( -2.445 -5.197 0.714) 5.788 17.783 ( 2.445 -5.197 0.714) 5.788 17.901 ( -0.761 -5.330 -0.582) 5.415 17.901 ( 0.761 -5.330 -0.582) 5.415 18.941 ( -1.758 -18.574 -1.312) 18.703 18.941 ( 1.758 -18.574 -1.312) 18.703 19.995 ( -9.380 6.749 1.712) 11.682 19.995 ( 9.380 6.749 1.712) 11.682 20.599 ( -6.885 8.109 1.355) 10.723 20.599 ( 6.885 8.109 1.355) 10.723 20.754 ( -5.613 20.551 -2.678) 21.472 20.754 ( 5.613 20.551 -2.678) 21.472 21.971 ( -4.284 -11.727 0.434) 12.492 21.971 ( 4.284 -11.727 0.434) 12.492 23.841 ( -10.192 14.351 18.778) 25.738 23.841 ( 10.192 14.351 18.778) 25.738 24.852 ( -5.236 3.140 -22.795) 23.598 24.852 ( 5.236 3.140 -22.795) 23.598 25.497 ( -3.416 -5.557 10.909) 12.711 25.497 ( 3.416 -5.557 10.909) 12.711 26.008 ( -6.854 -7.028 -12.055) 15.546 26.008 ( 6.854 -7.028 -12.055) 15.546 26.477 ( -2.746 9.275 9.510) 13.565 26.477 ( 2.746 9.275 9.510) 13.565 27.098 ( -6.323 3.329 0.673) 7.178 27.098 ( 6.323 3.329 0.673) 7.178 27.517 ( -0.946 -0.514 8.021) 8.092 27.517 ( 0.946 -0.514 8.021) 8.092 27.724 ( -5.022 -4.246 9.534) 11.583 27.724 ( 5.022 -4.246 9.534) 11.583 27.900 ( -5.591 -0.336 2.268) 6.043 27.900 ( 5.591 -0.336 2.268) 6.043 27.953 ( -1.121 6.197 -1.750) 6.536 27.953 ( 1.121 6.197 -1.750) 6.536 28.603 ( -4.234 -7.402 3.662) 9.280 28.603 ( 4.234 -7.402 3.662) 9.280 28.951 ( -3.101 -14.384 -8.753) 17.121 28.951 ( 3.101 -14.384 -8.753) 17.121 29.002 ( -3.310 -1.469 -0.423) 3.646 29.002 ( 3.310 -1.469 -0.423) 3.646 29.214 ( -2.091 -2.790 -0.457) 3.516 29.214 ( 2.091 -2.790 -0.457) 3.516 29.398 ( -4.346 0.747 -6.811) 8.114 29.398 ( 4.346 0.747 -6.811) 8.114 29.564 ( -4.468 -7.106 -2.175) 8.671 29.564 ( 4.468 -7.106 -2.175) 8.671 29.937 ( -1.373 0.601 1.541) 2.150 29.937 ( 1.373 0.601 1.541) 2.150 30.209 ( -1.312 -3.863 -1.129) 4.234 30.209 ( 1.312 -3.863 -1.129) 4.234 31.457 ( -3.610 8.169 0.165) 8.933 31.457 ( 3.610 8.169 0.165) 8.933 32.010 ( -11.286 6.850 7.809) 15.338 32.010 ( 11.286 6.850 7.809) 15.338 32.473 ( -4.391 0.810 -0.118) 4.467 32.473 ( 4.391 0.810 -0.118) 4.467 32.795 ( -6.369 4.769 -10.019) 12.794 32.795 ( 6.369 4.769 -10.019) 12.794 33.263 ( -4.333 -12.677 4.504) 14.134 33.263 ( 4.333 -12.677 4.504) 14.134 33.365 ( -6.677 -3.987 0.762) 7.814 33.365 ( 6.677 -3.987 0.762) 7.814 33.933 ( -3.905 18.539 1.388) 18.996 33.933 ( 3.905 18.539 1.388) 18.996 34.884 ( -6.730 -4.211 -5.979) 9.938 34.884 ( 6.730 -4.211 -5.979) 9.938 ======================= Grid point 112 (41/64) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 0.000 19.959 26.071) 32.834 2.429 ( 0.000 16.997 19.327) 25.738 2.735 ( 0.000 1.039 3.742) 3.884 2.805 ( 0.000 -1.952 -4.770) 5.154 2.945 ( 0.000 3.935 -4.563) 6.025 3.050 ( 0.000 3.507 -14.294) 14.718 3.053 ( 0.000 -5.741 13.419) 14.596 3.177 ( 0.000 -10.370 6.747) 12.372 3.331 ( 0.000 -9.045 2.690) 9.437 3.337 ( 0.000 2.454 6.510) 6.957 3.447 ( 0.000 1.151 -4.059) 4.219 3.557 ( 0.000 3.182 -4.096) 5.186 3.588 ( 0.000 7.012 2.864) 7.574 3.898 ( 0.000 15.609 12.625) 20.075 3.948 ( 0.000 0.180 -14.145) 14.146 4.097 ( 0.000 -1.876 0.067) 1.877 4.174 ( 0.000 14.970 8.989) 17.462 4.490 ( 0.000 7.274 -2.895) 7.829 4.541 ( 0.000 -7.297 13.652) 15.480 4.663 ( 0.000 7.517 17.499) 19.045 4.750 ( 0.000 -24.395 12.184) 27.268 4.964 ( 0.000 5.672 -2.922) 6.381 5.099 ( 0.000 3.497 3.633) 5.043 5.189 ( 0.000 -1.852 14.613) 14.730 5.423 ( 0.000 -6.832 -5.756) 8.934 5.587 ( 0.000 3.286 -7.837) 8.498 5.670 ( 0.000 4.853 2.549) 5.481 5.873 ( 0.000 -3.918 -11.149) 11.817 5.873 ( 0.000 3.891 -1.926) 4.342 6.163 ( 0.000 -3.184 -3.564) 4.779 6.349 ( 0.000 -5.539 2.910) 6.257 6.425 ( 0.000 -5.879 -1.647) 6.106 6.521 ( 0.000 8.873 -2.098) 9.118 6.527 ( 0.000 -4.182 -1.237) 4.361 7.012 ( 0.000 1.703 11.694) 11.817 7.227 ( 0.000 -1.572 4.930) 5.175 7.352 ( 0.000 0.167 3.856) 3.860 7.636 ( 0.000 -13.409 0.622) 13.424 7.665 ( 0.000 -4.624 2.821) 5.417 7.715 ( 0.000 3.332 -18.595) 18.891 8.149 ( 0.000 -10.807 -7.235) 13.005 8.209 ( 0.000 -16.935 0.288) 16.937 8.224 ( 0.000 -12.373 -19.005) 22.678 8.236 ( 0.000 -5.509 -8.038) 9.745 8.814 ( 0.000 -11.558 -4.535) 12.416 8.847 ( 0.000 -4.660 -5.722) 7.379 9.085 ( 0.000 23.174 2.176) 23.276 9.453 ( 0.000 12.082 -5.157) 13.137 9.490 ( 0.000 13.689 5.095) 14.607 9.725 ( 0.000 4.755 -2.900) 5.570 10.143 ( 0.000 -6.287 -3.945) 7.422 10.336 ( 0.000 3.930 -0.804) 4.011 10.390 ( 0.000 8.283 2.590) 8.678 10.412 ( 0.000 0.016 0.922) 0.922 10.800 ( 0.000 -0.333 20.142) 20.145 10.931 ( 0.000 -13.929 7.842) 15.985 11.042 ( 0.000 -6.210 10.564) 12.254 11.283 ( 0.000 -3.077 3.531) 4.683 11.399 ( 0.000 5.033 1.672) 5.304 11.586 ( 0.000 -3.944 -7.404) 8.389 11.696 ( 0.000 2.612 2.090) 3.345 11.835 ( 0.000 10.837 7.161) 12.989 12.232 ( 0.000 -6.949 -1.011) 7.023 12.253 ( 0.000 4.049 -0.692) 4.107 12.455 ( 0.000 -6.089 -1.963) 6.398 12.504 ( 0.000 -3.396 -2.652) 4.309 12.618 ( 0.000 5.027 -12.911) 13.855 12.904 ( 0.000 -9.369 -20.053) 22.134 13.057 ( 0.000 4.207 10.882) 11.667 13.114 ( 0.000 4.778 14.738) 15.494 13.549 ( 0.000 13.665 -12.130) 18.272 13.775 ( 0.000 13.766 -12.600) 18.662 13.882 ( 0.000 7.544 1.228) 7.643 13.951 ( 0.000 2.980 4.587) 5.470 14.494 ( 0.000 13.845 9.769) 16.945 14.599 ( 0.000 7.030 1.010) 7.102 15.021 ( 0.000 -2.715 7.844) 8.300 15.196 ( 0.000 -4.871 1.787) 5.188 15.444 ( 0.000 -3.420 -1.641) 3.793 15.481 ( 0.000 -9.797 6.360) 11.680 15.937 ( 0.000 -3.587 -11.108) 11.673 15.945 ( 0.000 2.473 -17.026) 17.205 15.977 ( 0.000 2.236 -0.183) 2.244 16.047 ( 0.000 -5.292 -1.515) 5.505 16.856 ( 0.000 2.043 -5.157) 5.547 16.871 ( 0.000 0.910 -6.143) 6.210 17.027 ( 0.000 -15.153 3.305) 15.509 17.187 ( 0.000 -13.408 -5.156) 14.365 17.396 ( 0.000 -2.699 3.142) 4.142 17.475 ( 0.000 -6.725 -1.100) 6.815 17.706 ( 0.000 6.148 6.640) 9.049 17.787 ( 0.000 -1.397 3.944) 4.184 17.868 ( 0.000 -1.474 -0.682) 1.624 17.998 ( 0.000 10.543 -10.278) 14.724 18.383 ( 0.000 -19.375 3.596) 19.706 18.570 ( 0.000 -12.524 -6.034) 13.902 19.701 ( 0.000 13.036 9.531) 16.149 20.022 ( 0.000 2.216 -5.430) 5.864 20.960 ( 0.000 21.722 1.893) 21.804 21.063 ( 0.000 3.069 0.169) 3.074 21.288 ( 0.000 0.000 0.680) 0.680 21.296 ( 0.000 9.318 -1.732) 9.477 21.588 ( 0.000 -2.349 11.011) 11.259 21.888 ( 0.000 -13.017 -4.998) 13.943 24.073 ( 0.000 28.617 20.188) 35.022 24.319 ( 0.000 2.731 11.362) 11.686 24.611 ( 0.000 -8.660 -4.592) 9.802 24.949 ( 0.000 8.623 -18.134) 20.079 25.389 ( 0.000 -11.590 10.492) 15.634 25.532 ( 0.000 3.817 -3.949) 5.493 25.662 ( 0.000 -3.731 -9.890) 10.570 25.989 ( 0.000 -15.134 -14.352) 20.857 26.394 ( 0.000 13.682 7.020) 15.378 26.573 ( 0.000 16.552 -5.855) 17.557 27.034 ( 0.000 -9.185 8.325) 12.396 27.230 ( 0.000 4.204 11.587) 12.326 27.314 ( 0.000 -6.563 -2.294) 6.953 27.492 ( 0.000 -3.645 4.438) 5.743 27.591 ( 0.000 5.355 5.812) 7.903 27.783 ( 0.000 0.133 -0.682) 0.694 27.827 ( 0.000 6.126 4.406) 7.545 27.976 ( 0.000 2.250 -4.268) 4.825 28.133 ( 0.000 5.281 2.926) 6.037 28.232 ( 0.000 1.714 0.799) 1.891 28.242 ( 0.000 -6.423 -1.586) 6.616 28.376 ( 0.000 -14.612 14.164) 20.351 28.459 ( 0.000 -7.730 -9.271) 12.070 28.653 ( 0.000 -12.845 -1.748) 12.964 28.826 ( 0.000 7.818 7.197) 10.627 29.000 ( 0.000 3.867 -3.097) 4.954 29.136 ( 0.000 2.273 0.234) 2.285 29.146 ( 0.000 1.161 0.026) 1.161 29.332 ( 0.000 -1.118 -0.526) 1.235 29.349 ( 0.000 -0.677 -2.589) 2.676 29.574 ( 0.000 -2.159 1.226) 2.483 29.653 ( 0.000 -17.816 -0.215) 17.818 29.668 ( 0.000 -14.938 1.612) 15.025 29.793 ( 0.000 -10.182 -4.404) 11.093 30.126 ( 0.000 -1.938 1.433) 2.410 30.170 ( 0.000 -3.684 -0.568) 3.728 31.752 ( 0.000 8.227 -2.564) 8.618 31.792 ( 0.000 11.855 -7.446) 13.999 31.841 ( 0.000 14.554 16.052) 21.668 32.286 ( 0.000 -4.131 1.197) 4.301 32.633 ( 0.000 -2.178 3.937) 4.499 32.639 ( 0.000 -3.737 0.726) 3.806 32.848 ( 0.000 -1.861 -7.149) 7.387 32.942 ( 0.000 -1.368 -10.502) 10.591 33.247 ( 0.000 -1.335 2.011) 2.413 33.310 ( 0.000 -1.566 0.541) 1.656 33.619 ( 0.000 8.762 -0.773) 8.796 33.665 ( 0.000 5.645 -1.680) 5.890 33.707 ( 0.000 3.358 3.355) 4.747 34.000 ( 0.000 -6.222 -9.710) 11.532 34.728 ( 0.000 10.533 5.861) 12.054 35.013 ( 0.000 0.235 -8.908) 8.911 ======================= Grid point 113 (42/64) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.983 17.709 20.373) 27.012 2.488 ( 6.598 15.940 17.055) 24.259 2.731 ( 0.072 -1.730 -3.020) 3.481 2.859 ( 3.836 2.790 -1.687) 5.035 2.959 ( -0.368 -1.236 0.928) 1.589 3.007 ( -5.414 -0.326 -0.862) 5.492 3.119 ( 0.207 1.902 -4.544) 4.930 3.213 ( 4.559 -3.793 -1.971) 6.249 3.253 ( -2.759 -9.643 6.187) 11.785 3.329 ( -0.842 -3.665 3.969) 5.468 3.379 ( -5.013 -2.146 -1.215) 5.586 3.559 ( -2.058 -3.150 0.733) 3.833 3.628 ( 9.177 5.647 3.950) 11.476 3.888 ( -0.504 8.364 7.830) 11.468 3.968 ( 2.265 2.321 0.313) 3.258 4.090 ( 2.257 5.243 3.021) 6.458 4.204 ( 1.313 8.990 4.389) 10.090 4.431 ( -4.496 -4.149 12.795) 14.182 4.513 ( 0.806 6.128 -2.820) 6.793 4.760 ( 4.767 1.206 6.025) 7.777 4.832 ( 8.585 -7.476 13.525) 17.678 5.048 ( 3.482 0.841 2.268) 4.240 5.135 ( 3.847 5.736 1.594) 7.088 5.233 ( 1.724 0.783 9.189) 9.382 5.386 ( -2.695 -1.138 -5.095) 5.875 5.610 ( -3.296 -0.934 -1.238) 3.643 5.659 ( -2.408 3.763 0.179) 4.471 5.688 ( -1.164 6.334 -1.459) 6.603 5.899 ( -2.122 -3.742 -8.372) 9.412 6.205 ( 3.100 -4.673 -8.220) 9.951 6.385 ( -0.735 0.396 7.597) 7.643 6.449 ( 1.774 1.908 4.356) 5.076 6.560 ( 0.340 10.250 0.374) 10.263 6.641 ( 14.896 -17.102 -3.991) 23.028 6.941 ( -3.455 -5.015 15.023) 16.210 7.252 ( -2.045 -5.299 -4.107) 7.009 7.334 ( 1.253 8.554 5.002) 9.988 7.511 ( -3.279 -10.020 -2.191) 10.768 7.775 ( 4.449 -3.192 -7.182) 9.031 7.819 ( 2.273 -10.529 -1.982) 10.953 7.993 ( -9.441 -9.905 -10.867) 17.474 8.118 ( -1.589 -10.030 -17.375) 20.125 8.185 ( -2.239 -7.101 4.893) 8.909 8.340 ( 1.337 -5.184 -9.177) 10.624 8.645 ( -11.511 -5.986 0.188) 12.976 8.828 ( -5.682 -1.960 -7.828) 9.870 9.107 ( 0.639 11.276 1.547) 11.400 9.394 ( -2.736 9.954 -6.851) 12.390 9.600 ( 7.515 13.300 1.623) 15.362 9.809 ( 7.042 -2.630 2.548) 7.937 10.180 ( 5.041 0.416 -5.063) 7.157 10.312 ( -3.627 5.640 4.549) 8.103 10.418 ( 3.393 10.687 3.171) 11.652 10.454 ( 4.212 -3.985 -5.699) 8.130 10.686 ( -6.845 1.313 15.259) 16.775 10.941 ( -5.836 -9.135 6.352) 12.564 11.054 ( 5.160 -6.867 15.310) 17.555 11.243 ( -2.174 0.300 -0.908) 2.375 11.455 ( 3.564 1.325 3.778) 5.361 11.600 ( 2.126 -3.259 -5.777) 6.965 11.723 ( 0.641 3.557 -1.290) 3.838 11.946 ( 5.898 8.041 -2.905) 10.387 12.091 ( -5.233 -11.267 1.671) 12.535 12.261 ( -0.099 0.233 -0.525) 0.583 12.346 ( -5.157 -4.256 -4.430) 8.020 12.570 ( 1.309 -6.836 -6.167) 9.299 12.788 ( 12.657 5.403 -6.422) 15.187 12.894 ( -1.369 -0.753 -5.988) 6.188 12.977 ( -5.952 8.045 12.031) 15.649 13.198 ( 7.227 0.717 5.308) 8.996 13.476 ( -5.682 12.953 -11.429) 18.184 13.673 ( -7.045 12.554 -9.884) 17.462 13.879 ( -0.529 10.503 3.653) 11.133 13.998 ( 1.378 2.268 -2.543) 3.675 14.354 ( -12.371 15.214 8.938) 21.550 14.510 ( -8.195 6.594 -0.413) 10.527 15.030 ( 0.795 -2.976 7.467) 8.078 15.241 ( 3.060 -7.278 0.543) 7.914 15.403 ( -3.340 -5.578 5.366) 8.430 15.449 ( -1.567 -7.690 3.228) 8.486 15.877 ( -3.550 -2.634 -9.741) 10.697 15.945 ( -2.763 4.101 0.969) 5.038 15.987 ( 2.314 -1.000 -15.921) 16.119 16.087 ( 2.311 -4.684 -4.667) 7.004 16.846 ( 0.703 2.227 -2.724) 3.588 16.897 ( 2.128 0.934 -3.352) 4.079 17.106 ( 5.708 -12.980 1.072) 14.220 17.225 ( 2.822 -13.128 -4.244) 14.082 17.420 ( 2.094 -2.702 3.011) 4.555 17.493 ( 1.794 -4.899 -0.986) 5.310 17.713 ( -0.018 6.611 6.156) 9.033 17.759 ( -1.808 -1.615 3.398) 4.174 17.849 ( -1.745 -2.332 -1.649) 3.348 17.981 ( -1.753 10.013 -8.989) 13.570 18.408 ( 2.263 -19.757 2.841) 20.088 18.583 ( 0.736 -14.603 -6.294) 15.919 19.769 ( 6.662 12.749 9.349) 17.156 20.072 ( 4.753 2.843 -4.913) 7.404 20.956 ( -7.851 6.274 3.600) 10.675 20.965 ( -2.256 13.095 0.789) 13.311 21.237 ( -4.262 4.139 1.295) 6.081 21.281 ( -1.175 12.640 -2.390) 12.917 21.621 ( 2.660 -4.234 7.581) 9.081 21.859 ( -2.538 -12.077 -4.739) 13.219 24.072 ( 0.355 26.318 19.935) 33.018 24.301 ( -1.462 6.209 10.813) 12.554 24.649 ( 3.135 -10.790 -3.844) 11.876 24.944 ( -0.893 5.179 -16.546) 17.361 25.389 ( 0.186 -7.705 7.385) 10.674 25.535 ( -0.018 4.328 -3.469) 5.547 25.685 ( 2.057 -4.281 -10.516) 11.539 25.973 ( -1.710 -14.414 -14.488) 20.509 26.448 ( 5.063 13.232 7.624) 16.089 26.605 ( 3.475 16.560 -3.485) 17.275 27.081 ( 4.303 -9.382 8.553) 13.405 27.216 ( -3.376 5.611 10.884) 12.702 27.317 ( 3.532 -6.809 -0.047) 7.670 27.490 ( -0.405 -4.093 4.171) 5.858 27.596 ( -0.349 5.025 8.164) 9.593 27.752 ( -1.644 2.071 6.734) 7.235 27.868 ( 3.168 6.042 -3.028) 7.464 28.034 ( 4.030 3.367 -7.086) 8.819 28.098 ( -3.236 4.162 0.278) 5.279 28.159 ( -4.633 -1.597 2.866) 5.677 28.271 ( 1.794 -4.650 -1.516) 5.210 28.370 ( 0.374 -14.565 12.921) 19.474 28.490 ( 1.336 -8.943 -5.411) 10.537 28.660 ( 1.014 -12.415 -3.260) 12.876 28.937 ( 8.846 4.669 2.302) 10.264 29.019 ( 1.235 2.463 -1.705) 3.240 29.116 ( -1.572 0.883 0.353) 1.837 29.134 ( -1.172 1.746 -0.239) 2.116 29.314 ( -1.081 -1.349 -0.492) 1.797 29.366 ( 1.451 0.113 -2.833) 3.185 29.511 ( -3.814 -9.573 0.356) 10.311 29.599 ( -4.116 -9.436 -2.196) 10.526 29.764 ( 6.588 -12.228 1.902) 14.019 29.828 ( 2.722 -8.302 -1.830) 8.926 30.108 ( -1.657 -1.813 1.779) 3.033 30.163 ( -0.760 -4.116 -0.892) 4.279 31.731 ( -1.462 10.501 -2.640) 10.926 31.792 ( -0.305 12.498 -6.967) 14.312 31.882 ( 4.075 13.613 14.969) 20.639 32.278 ( -1.037 -3.764 0.800) 3.986 32.585 ( -2.598 -0.010 3.048) 4.005 32.702 ( 3.177 -5.491 0.415) 6.357 32.826 ( -2.257 0.769 -5.326) 5.836 32.943 ( -0.293 -3.539 -7.733) 8.509 33.091 ( -10.520 3.200 1.942) 11.166 33.279 ( -4.000 -0.940 -1.808) 4.490 33.324 ( -14.678 0.324 -0.138) 14.682 33.554 ( -7.316 -4.741 -4.844) 9.974 33.964 ( 12.511 9.919 4.064) 16.475 34.178 ( 11.322 1.587 -6.811) 13.308 34.697 ( -2.465 8.026 6.283) 10.487 34.988 ( -2.683 -2.096 -8.774) 9.412 ======================= Grid point 114 (43/64) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 1.385 10.621 15.305) 18.681 2.601 ( 1.016 6.628 4.807) 8.251 2.691 ( -11.883 -5.344 2.188) 13.211 2.770 ( -2.797 1.403 3.771) 4.900 2.859 ( -3.644 1.894 -2.869) 5.010 2.999 ( 0.518 4.816 3.359) 5.894 3.101 ( -0.098 4.791 1.107) 4.918 3.152 ( -3.507 -0.142 -0.505) 3.546 3.305 ( 4.090 -5.113 -2.954) 7.184 3.379 ( 3.400 -7.178 -4.612) 9.184 3.397 ( 3.664 -9.471 -0.995) 10.203 3.507 ( -2.674 -10.201 -2.435) 10.823 3.883 ( 2.675 6.030 8.240) 10.555 3.915 ( 13.189 5.434 8.196) 16.451 4.113 ( -0.632 2.900 9.050) 9.524 4.136 ( 11.874 1.145 3.431) 12.413 4.202 ( 0.345 5.211 5.194) 7.365 4.452 ( 2.591 -0.100 3.535) 4.384 4.537 ( 5.226 5.923 2.187) 8.196 4.843 ( -0.229 -1.419 0.965) 1.731 4.938 ( -1.165 3.608 11.690) 12.289 5.064 ( -0.883 3.320 -0.026) 3.435 5.124 ( -3.977 9.670 0.263) 10.459 5.216 ( -0.076 5.571 -1.489) 5.768 5.404 ( 3.862 0.074 -1.695) 4.218 5.540 ( -4.331 2.120 4.953) 6.913 5.644 ( 4.449 0.030 0.240) 4.456 5.714 ( 2.378 -7.232 -2.837) 8.124 5.917 ( 1.883 2.294 0.693) 3.048 6.195 ( -6.522 6.559 -6.936) 11.561 6.341 ( -1.662 6.452 12.115) 13.826 6.499 ( 1.871 -0.369 5.637) 5.951 6.569 ( 4.265 8.314 5.810) 11.003 6.838 ( -2.077 -16.708 10.011) 19.589 7.079 ( 18.505 -12.605 -1.842) 22.466 7.202 ( 0.008 0.071 -7.736) 7.736 7.353 ( -0.158 2.671 0.005) 2.675 7.502 ( 1.371 -13.617 -1.965) 13.826 7.703 ( -6.867 -19.411 -2.014) 20.688 7.823 ( -1.573 -9.703 2.443) 10.129 7.916 ( -2.280 0.225 -12.528) 12.736 8.045 ( -5.676 -2.721 -0.684) 6.332 8.174 ( -1.621 -8.290 -2.029) 8.687 8.264 ( -9.299 -7.849 -1.471) 12.257 8.462 ( -0.329 5.439 -1.012) 5.543 8.719 ( -4.287 10.553 -10.721) 15.643 9.101 ( -0.282 -3.300 -7.201) 7.926 9.287 ( -6.516 -3.041 -11.509) 13.571 9.772 ( 8.086 16.561 6.700) 19.610 9.961 ( 4.566 0.416 11.076) 11.987 10.234 ( -0.193 3.567 11.710) 12.243 10.310 ( 3.341 -3.474 -2.662) 5.506 10.491 ( 2.980 9.855 -4.561) 11.261 10.540 ( -0.670 11.049 4.699) 12.025 10.616 ( 5.685 -0.523 -9.337) 10.944 10.841 ( -2.542 -6.882 4.228) 8.468 11.092 ( -0.550 -1.708 15.337) 15.442 11.265 ( -1.136 -0.327 -5.269) 5.400 11.439 ( -0.807 1.271 -4.581) 4.822 11.649 ( 1.866 0.339 -8.202) 8.418 11.762 ( 5.944 -8.942 1.720) 10.874 11.973 ( -2.757 -3.099 -8.961) 9.875 12.058 ( -2.474 -10.658 -0.437) 10.950 12.145 ( -9.121 -12.095 -3.377) 15.521 12.399 ( 8.856 7.498 5.042) 12.651 12.657 ( 6.891 -1.829 -4.743) 8.564 12.770 ( -8.114 5.062 9.690) 13.615 12.874 ( -1.130 2.681 6.858) 7.450 13.083 ( 11.297 10.227 -3.840) 15.715 13.320 ( -1.838 12.171 -6.727) 14.027 13.378 ( 1.357 4.014 -7.936) 8.996 13.566 ( -3.094 10.741 -4.999) 12.244 13.856 ( -1.336 13.132 2.051) 13.358 13.981 ( -1.392 2.047 -6.040) 6.528 14.075 ( -12.509 14.937 9.254) 21.569 14.302 ( -11.417 5.265 -2.352) 12.791 15.053 ( 1.598 -3.271 6.322) 7.295 15.209 ( -5.391 -7.513 1.364) 9.347 15.410 ( 3.332 -11.749 4.610) 13.053 15.460 ( 2.457 -6.950 4.400) 8.585 15.806 ( -2.944 0.841 -6.231) 6.943 15.870 ( -4.263 6.459 2.893) 8.262 16.037 ( 2.431 -3.321 -13.543) 14.155 16.107 ( -0.354 -4.738 -7.689) 9.038 16.896 ( 3.577 3.595 -0.298) 5.080 16.947 ( 2.123 2.355 -1.442) 3.483 17.206 ( 3.712 -11.689 0.459) 12.272 17.267 ( 0.877 -12.353 -2.110) 12.562 17.470 ( 2.629 -2.025 3.274) 4.662 17.538 ( 1.715 -0.111 0.010) 1.718 17.676 ( -1.799 -1.289 2.886) 3.637 17.752 ( -0.877 2.627 2.552) 3.767 17.816 ( -0.145 -1.590 -3.273) 3.641 17.928 ( -3.282 8.533 -6.337) 11.123 18.465 ( 3.153 -20.182 0.489) 20.433 18.578 ( -1.441 -17.805 -5.405) 18.664 19.961 ( 11.570 12.257 8.090) 18.696 20.197 ( 6.178 6.021 -3.730) 9.398 20.732 ( -10.540 1.332 7.948) 13.268 20.870 ( -9.102 1.043 -0.263) 9.165 21.183 ( 0.005 18.406 1.163) 18.442 21.252 ( -1.751 16.862 -2.061) 17.078 21.679 ( 2.871 -7.051 2.530) 8.022 21.799 ( -3.099 -10.597 -3.705) 11.646 24.105 ( 3.028 21.912 18.441) 28.799 24.259 ( -2.858 11.694 12.226) 17.158 24.723 ( 4.079 -11.658 -4.353) 13.096 24.898 ( -3.567 -2.797 -11.606) 12.459 25.409 ( 1.854 -0.008 0.828) 2.031 25.516 ( -1.982 4.885 -3.278) 6.208 25.742 ( 3.520 -6.427 -12.033) 14.089 25.916 ( -3.829 -12.514 -14.469) 19.509 26.586 ( 7.912 12.960 9.311) 17.811 26.710 ( 5.468 15.740 2.146) 16.800 27.133 ( -1.903 0.574 9.071) 9.286 27.184 ( 2.808 -4.587 5.749) 7.873 27.430 ( 5.086 -0.712 3.500) 6.215 27.477 ( 0.182 -5.100 5.058) 7.185 27.570 ( -0.997 0.990 9.057) 9.165 27.725 ( -1.853 0.146 8.458) 8.659 27.916 ( 0.503 6.521 -0.399) 6.552 28.011 ( -4.422 1.343 -1.490) 4.855 28.079 ( 0.318 5.741 -3.204) 6.583 28.107 ( 0.182 4.575 0.459) 4.602 28.322 ( 2.994 -9.709 3.379) 10.708 28.427 ( 4.900 -11.886 -0.258) 12.859 28.484 ( -1.213 -13.599 -1.950) 13.791 28.667 ( -1.394 -14.455 -6.706) 15.996 29.018 ( -0.793 1.327 0.605) 1.661 29.075 ( -2.655 0.769 -0.045) 2.765 29.093 ( 4.130 -0.216 -1.047) 4.266 29.129 ( 1.389 -2.310 -0.127) 2.699 29.316 ( 2.136 -0.495 -0.153) 2.198 29.402 ( 1.824 -0.077 -3.297) 3.769 29.452 ( -1.726 -7.055 -1.806) 7.484 29.506 ( -4.753 -6.177 -2.988) 8.347 29.879 ( 3.569 -3.856 1.386) 5.434 29.907 ( 5.325 -5.883 0.293) 7.941 30.065 ( -2.167 -3.024 2.491) 4.477 30.133 ( -2.272 -5.284 -1.050) 5.846 31.715 ( 0.246 13.997 -1.942) 14.134 31.776 ( -1.288 15.854 -5.527) 16.839 32.002 ( 7.255 10.383 10.690) 16.575 32.236 ( -3.121 -2.305 0.893) 3.982 32.527 ( -2.775 3.323 3.346) 5.471 32.651 ( -8.343 1.183 -1.874) 8.632 32.817 ( 1.682 -0.249 -0.415) 1.751 32.927 ( 1.894 -1.586 -4.638) 5.255 32.980 ( -4.402 -6.382 0.677) 7.782 33.088 ( -4.601 -0.900 -6.795) 8.255 33.203 ( -3.473 -6.724 1.150) 7.655 33.396 ( -8.205 -8.393 -4.539) 12.584 34.176 ( 8.391 13.850 4.080) 16.700 34.341 ( 3.189 12.350 -3.878) 13.332 34.674 ( 1.664 -1.562 4.294) 4.863 34.901 ( -5.689 -5.395 -6.959) 10.483 ======================= Grid point 115 (44/64) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -10.475 2.704 11.303) 15.645 2.398 ( 10.475 2.704 11.303) 15.645 2.659 ( -4.269 -3.673 -1.550) 5.841 2.659 ( 4.269 -3.673 -1.550) 5.841 2.935 ( -5.685 8.088 0.337) 9.892 2.935 ( 5.685 8.088 0.337) 9.892 3.117 ( -0.922 3.293 4.760) 5.861 3.117 ( 0.922 3.293 4.760) 5.861 3.380 ( -3.207 -7.096 -3.113) 8.386 3.380 ( 3.207 -7.096 -3.113) 8.386 3.467 ( -2.296 -11.988 -6.120) 13.655 3.467 ( 2.296 -11.988 -6.120) 13.655 3.955 ( -4.683 8.387 10.821) 14.469 3.955 ( 4.683 8.387 10.821) 14.469 4.180 ( -3.225 -2.955 2.259) 4.923 4.180 ( 3.225 -2.955 2.259) 4.923 4.408 ( -9.370 6.547 3.817) 12.051 4.408 ( 9.370 6.547 3.817) 12.051 4.691 ( -7.236 2.925 7.607) 10.899 4.691 ( 7.236 2.925 7.607) 10.899 4.960 ( -5.710 7.495 -2.829) 9.838 4.960 ( 5.710 7.495 -2.829) 9.838 5.176 ( -3.640 2.795 0.992) 4.695 5.176 ( 3.640 2.795 0.992) 4.695 5.476 ( -2.685 -2.533 1.453) 3.967 5.476 ( 2.685 -2.533 1.453) 3.967 5.739 ( -2.584 -7.515 -5.470) 9.647 5.739 ( 2.584 -7.515 -5.470) 9.647 5.994 ( -8.177 13.342 6.520) 16.952 5.994 ( 8.177 13.342 6.520) 16.952 6.423 ( -7.006 12.346 11.553) 18.302 6.423 ( 7.006 12.346 11.553) 18.302 6.724 ( -7.703 -10.789 2.530) 13.497 6.724 ( 7.703 -10.789 2.530) 13.497 7.251 ( -3.125 1.523 -4.761) 5.895 7.251 ( 3.125 1.523 -4.761) 5.895 7.487 ( -8.611 -20.305 -2.951) 22.252 7.487 ( 8.611 -20.305 -2.951) 22.252 7.656 ( -7.133 -13.620 0.089) 15.375 7.656 ( 7.133 -13.620 0.089) 15.375 7.939 ( -4.240 1.840 1.824) 4.969 7.939 ( 4.240 1.840 1.824) 4.969 8.135 ( -0.935 -8.612 3.295) 9.268 8.135 ( 0.935 -8.612 3.295) 9.268 8.588 ( -8.402 12.051 -11.917) 18.916 8.588 ( 8.402 12.051 -11.917) 18.916 9.158 ( -5.546 -7.564 -12.454) 15.591 9.158 ( 5.546 -7.564 -12.454) 15.591 9.920 ( -6.169 13.265 12.867) 19.482 9.920 ( 6.169 13.265 12.867) 19.482 10.298 ( -3.832 -5.052 10.562) 12.319 10.298 ( 3.832 -5.052 10.562) 12.319 10.519 ( -0.631 9.701 -6.306) 11.587 10.519 ( 0.631 9.701 -6.306) 11.587 10.786 ( -5.970 1.070 -8.437) 10.390 10.786 ( 5.970 1.070 -8.437) 10.390 11.122 ( -5.592 0.594 5.235) 7.683 11.122 ( 5.592 0.594 5.235) 7.683 11.582 ( -9.100 -2.635 -9.200) 13.206 11.582 ( 9.100 -2.635 -9.200) 13.206 11.912 ( -6.033 -6.868 -2.179) 9.398 11.912 ( 6.033 -6.868 -2.179) 9.398 11.997 ( -0.263 -13.353 -1.581) 13.449 11.997 ( 0.263 -13.353 -1.581) 13.449 12.589 ( -8.870 8.960 7.850) 14.852 12.589 ( 8.870 8.960 7.850) 14.852 12.816 ( -5.859 -0.517 2.733) 6.486 12.816 ( 5.859 -0.517 2.733) 6.486 13.237 ( -3.876 12.599 -7.460) 15.146 13.237 ( 3.876 12.599 -7.460) 15.146 13.474 ( -6.848 6.394 -5.954) 11.101 13.474 ( 6.848 6.394 -5.954) 11.101 13.874 ( -5.575 14.394 5.577) 16.412 13.874 ( 5.575 14.394 5.577) 16.412 14.079 ( -9.270 3.441 -3.724) 10.566 14.079 ( 9.270 3.441 -3.724) 10.566 15.107 ( -3.934 -4.864 4.466) 7.686 15.107 ( 3.934 -4.864 4.466) 7.686 15.476 ( -2.049 -13.082 2.313) 13.442 15.476 ( 2.049 -13.082 2.313) 13.442 15.794 ( -2.286 7.286 0.822) 7.680 15.794 ( 2.286 7.286 0.822) 7.680 16.082 ( -1.877 -4.624 -10.314) 11.458 16.082 ( 1.877 -4.624 -10.314) 11.458 16.956 ( -1.552 3.791 -0.323) 4.109 16.956 ( 1.552 3.791 -0.323) 4.109 17.258 ( -1.559 -11.604 -0.209) 11.710 17.258 ( 1.559 -11.604 -0.209) 11.710 17.524 ( -2.459 0.409 3.053) 3.942 17.524 ( 2.459 0.409 3.053) 3.942 17.698 ( -3.157 -2.751 -0.501) 4.217 17.698 ( 3.157 -2.751 -0.501) 4.217 17.858 ( -3.268 5.453 -3.590) 7.301 17.858 ( 3.268 5.453 -3.590) 7.301 18.530 ( -3.008 -19.663 -2.745) 20.080 18.530 ( 3.008 -19.663 -2.745) 20.080 20.191 ( -8.595 12.049 3.224) 15.147 20.191 ( 8.595 12.049 3.224) 15.147 20.674 ( -6.682 -3.220 3.687) 8.283 20.674 ( 6.682 -3.220 3.687) 8.283 21.212 ( -2.057 20.160 -0.628) 20.274 21.212 ( 2.057 20.160 -0.628) 20.274 21.738 ( -2.947 -9.139 -1.350) 9.697 21.738 ( 2.947 -9.139 -1.350) 9.697 24.184 ( -4.231 16.977 15.481) 23.362 24.184 ( 4.231 16.977 15.481) 23.362 24.812 ( -4.536 -8.873 -6.947) 12.148 24.812 ( 4.536 -8.873 -6.947) 12.148 25.461 ( -3.032 4.081 -2.840) 5.824 25.461 ( 3.032 4.081 -2.840) 5.824 25.827 ( -4.617 -9.622 -13.602) 17.289 25.827 ( 4.617 -9.622 -13.602) 17.289 26.729 ( -4.528 14.018 9.251) 17.395 26.729 ( 4.528 14.018 9.251) 17.395 27.160 ( -4.148 0.320 3.287) 5.302 27.160 ( 4.148 0.320 3.287) 5.302 27.477 ( -2.117 -1.859 8.385) 8.845 27.477 ( 2.117 -1.859 8.385) 8.845 27.641 ( -6.151 -4.277 5.505) 9.297 27.641 ( 6.151 -4.277 5.505) 9.297 27.933 ( -2.664 4.489 4.166) 6.678 27.933 ( 2.664 4.489 4.166) 6.678 28.103 ( -1.066 7.612 -3.831) 8.588 28.103 ( 1.066 7.612 -3.831) 8.588 28.397 ( -4.246 -11.674 2.588) 12.689 28.397 ( 4.246 -11.674 2.588) 12.689 28.582 ( -6.538 -15.971 -7.862) 18.964 28.582 ( 6.538 -15.971 -7.862) 18.964 29.025 ( -1.717 1.333 0.548) 2.242 29.025 ( 1.717 1.333 0.548) 2.242 29.134 ( -1.209 -4.160 0.129) 4.334 29.134 ( 1.209 -4.160 0.129) 4.334 29.399 ( -4.542 -0.821 -2.606) 5.301 29.399 ( 4.543 -0.821 -2.606) 5.301 29.436 ( -0.966 -3.896 -2.838) 4.915 29.436 ( 0.966 -3.896 -2.838) 4.915 29.943 ( -2.299 0.160 1.470) 2.734 29.943 ( 2.299 0.160 1.470) 2.734 30.072 ( -3.193 -7.211 0.397) 7.896 30.072 ( 3.193 -7.211 0.397) 7.896 31.740 ( -1.917 16.914 -2.836) 17.257 31.740 ( 1.917 16.914 -2.836) 17.257 32.147 ( -6.019 3.656 4.251) 8.226 32.147 ( 6.019 3.656 4.251) 8.226 32.515 ( -3.069 3.934 1.764) 5.292 32.515 ( 3.069 3.934 1.764) 5.292 32.871 ( -4.283 -1.439 -5.148) 6.850 32.871 ( 4.283 -1.439 -5.148) 6.850 33.016 ( -5.019 -6.889 1.359) 8.631 33.016 ( 5.019 -6.889 1.359) 8.631 33.237 ( -6.514 -7.914 -3.958) 10.988 33.237 ( 6.514 -7.914 -3.958) 10.988 34.311 ( -4.792 16.317 1.814) 17.103 34.311 ( 4.792 16.317 1.814) 17.103 34.771 ( -6.573 -6.545 -2.634) 9.642 34.771 ( 6.573 -6.545 -2.634) 9.642 ======================= Grid point 119 (45/64) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 0.000 -6.872 15.891) 17.314 2.565 ( 0.000 6.872 15.891) 17.314 2.782 ( 0.000 -0.125 -2.998) 3.001 2.782 ( 0.000 0.125 -2.998) 3.001 2.960 ( 0.000 -6.465 17.439) 18.599 2.960 ( 0.000 6.465 17.439) 18.599 3.034 ( 0.000 -3.573 -4.927) 6.086 3.034 ( 0.000 3.573 -4.927) 6.086 3.333 ( 0.000 -7.255 -3.997) 8.283 3.333 ( 0.000 7.255 -3.997) 8.283 3.493 ( 0.000 -8.800 4.613) 9.936 3.493 ( 0.000 8.800 4.613) 9.936 3.835 ( 0.000 -13.766 -3.265) 14.148 3.835 ( 0.000 13.766 -3.265) 14.148 4.054 ( 0.000 -0.871 -2.286) 2.446 4.054 ( 0.000 0.871 -2.286) 2.446 4.338 ( 0.000 -7.410 6.702) 9.991 4.338 ( 0.000 7.410 6.702) 9.991 4.605 ( 0.000 -2.673 4.833) 5.523 4.605 ( 0.000 2.673 4.833) 5.523 4.906 ( 0.000 -10.653 15.858) 19.105 4.906 ( 0.000 10.653 15.858) 19.105 5.168 ( 0.000 -2.102 4.753) 5.197 5.168 ( 0.000 2.102 4.753) 5.197 5.429 ( 0.000 -12.051 -2.729) 12.356 5.429 ( 0.000 12.051 -2.729) 12.356 5.810 ( 0.000 -4.257 -4.915) 6.502 5.810 ( 0.000 4.257 -4.915) 6.502 5.989 ( 0.000 -8.581 -1.893) 8.788 5.989 ( 0.000 8.581 -1.893) 8.788 6.328 ( 0.000 -2.678 -6.133) 6.692 6.328 ( 0.000 2.678 -6.133) 6.692 6.599 ( 0.000 -6.358 9.343) 11.301 6.599 ( 0.000 6.358 9.343) 11.301 7.112 ( 0.000 -7.645 4.524) 8.883 7.112 ( 0.000 7.645 4.524) 8.883 7.463 ( 0.000 -12.289 7.396) 14.343 7.463 ( 0.000 12.289 7.396) 14.343 7.675 ( 0.000 -18.048 -5.290) 18.808 7.675 ( 0.000 18.048 -5.290) 18.808 7.903 ( 0.000 -11.578 -15.681) 19.492 7.903 ( 0.000 11.578 -15.681) 19.492 8.153 ( 0.000 -1.234 -12.123) 12.185 8.153 ( 0.000 1.234 -12.123) 12.185 8.768 ( 0.000 -2.203 -6.485) 6.849 8.768 ( 0.000 2.203 -6.485) 6.849 9.524 ( 0.000 -12.943 10.989) 16.979 9.524 ( 0.000 12.943 10.989) 16.979 9.673 ( 0.000 -3.898 -7.044) 8.050 9.673 ( 0.000 3.898 -7.044) 8.050 10.169 ( 0.000 -8.477 -11.190) 14.038 10.169 ( 0.000 8.477 -11.190) 14.038 10.593 ( 0.000 -11.062 4.888) 12.094 10.593 ( 0.000 11.062 4.888) 12.094 10.636 ( 0.000 -12.879 6.637) 14.489 10.636 ( 0.000 12.879 6.637) 14.489 11.168 ( 0.000 -8.493 21.810) 23.405 11.168 ( 0.000 8.493 21.810) 23.405 11.490 ( 0.000 -4.281 -6.396) 7.696 11.490 ( 0.000 4.281 -6.396) 7.696 11.815 ( 0.000 -8.147 10.483) 13.277 11.815 ( 0.000 8.147 10.483) 13.277 12.332 ( 0.000 -10.483 -5.808) 11.984 12.332 ( 0.000 10.483 -5.808) 11.984 12.353 ( 0.000 -2.638 -1.238) 2.914 12.353 ( 0.000 2.638 -1.238) 2.914 12.738 ( 0.000 -6.004 -19.982) 20.865 12.738 ( 0.000 6.004 -19.982) 20.865 13.126 ( 0.000 -2.067 14.056) 14.207 13.126 ( 0.000 2.067 14.056) 14.207 13.789 ( 0.000 -7.582 -17.294) 18.883 13.789 ( 0.000 7.582 -17.294) 18.883 14.014 ( 0.000 -0.561 5.315) 5.344 14.014 ( 0.000 0.561 5.315) 5.344 14.686 ( 0.000 -2.346 8.540) 8.857 14.686 ( 0.000 2.346 8.541) 8.857 15.050 ( 0.000 -5.865 2.646) 6.435 15.050 ( 0.000 5.865 2.646) 6.435 15.372 ( 0.000 -0.980 2.783) 2.950 15.372 ( 0.000 0.980 2.783) 2.950 15.946 ( 0.000 -2.127 -14.975) 15.125 15.946 ( 0.000 2.127 -14.975) 15.125 16.000 ( 0.000 -0.219 -0.715) 0.748 16.000 ( 0.000 0.219 -0.715) 0.748 16.844 ( 0.000 -0.487 0.210) 0.530 16.844 ( 0.000 0.487 0.210) 0.530 16.968 ( 0.000 -7.210 -5.240) 8.913 16.968 ( 0.000 7.210 -5.240) 8.913 17.369 ( 0.000 -1.944 1.830) 2.670 17.369 ( 0.000 1.944 1.830) 2.670 17.813 ( 0.000 -3.016 0.209) 3.023 17.813 ( 0.000 3.016 0.209) 3.023 17.976 ( 0.000 -16.949 5.009) 17.673 17.976 ( 0.000 16.949 5.009) 17.673 18.278 ( 0.000 -13.884 -9.671) 16.920 18.278 ( 0.000 13.884 -9.671) 16.920 19.954 ( 0.000 -8.817 4.873) 10.074 19.954 ( 0.000 8.817 4.873) 10.074 21.100 ( 0.000 -2.784 2.744) 3.908 21.100 ( 0.000 2.784 2.744) 3.908 21.482 ( 0.000 -0.830 -0.780) 1.138 21.482 ( 0.000 0.830 -0.780) 1.138 21.561 ( 0.000 -11.500 1.136) 11.556 21.561 ( 0.000 11.500 1.136) 11.556 24.387 ( 0.000 -9.091 5.831) 10.800 24.387 ( 0.000 9.091 5.831) 10.800 24.711 ( 0.000 -25.322 12.547) 28.261 24.711 ( 0.000 25.322 12.547) 28.261 25.551 ( 0.000 -13.115 -15.081) 19.986 25.551 ( 0.000 13.115 -15.081) 19.986 25.635 ( 0.000 -10.693 -9.485) 14.294 25.635 ( 0.000 10.693 -9.485) 14.294 26.666 ( 0.000 -10.090 8.409) 13.135 26.666 ( 0.000 10.090 8.409) 13.135 27.053 ( 0.000 -12.439 -4.487) 13.223 27.053 ( 0.000 12.439 -4.487) 13.223 27.382 ( 0.000 -6.180 9.053) 10.961 27.382 ( 0.000 6.180 9.053) 10.961 27.723 ( 0.000 -5.913 4.969) 7.723 27.723 ( 0.000 5.913 4.969) 7.723 27.961 ( 0.000 -4.389 2.934) 5.279 27.961 ( 0.000 4.389 2.934) 5.279 28.160 ( 0.000 -1.505 5.035) 5.255 28.160 ( 0.000 1.505 5.035) 5.255 28.284 ( 0.000 -8.247 -4.131) 9.224 28.284 ( 0.000 8.247 -4.131) 9.224 28.395 ( 0.000 -10.723 -2.576) 11.029 28.395 ( 0.000 10.723 -2.576) 11.029 29.029 ( 0.000 -6.372 1.738) 6.605 29.029 ( 0.000 6.372 1.738) 6.605 29.159 ( 0.000 -0.418 -0.281) 0.504 29.159 ( 0.000 0.418 -0.281) 0.504 29.339 ( 0.000 -3.657 2.232) 4.284 29.339 ( 0.000 3.657 2.232) 4.284 29.416 ( 0.000 -4.514 -1.182) 4.666 29.416 ( 0.000 4.514 -1.182) 4.666 29.619 ( 0.000 -5.432 -5.390) 7.652 29.619 ( 0.000 5.432 -5.390) 7.652 30.117 ( 0.000 -1.108 0.741) 1.333 30.117 ( 0.000 1.108 0.741) 1.333 31.901 ( 0.000 -2.775 -3.788) 4.695 31.901 ( 0.000 2.775 -3.788) 4.695 32.119 ( 0.000 -11.046 10.983) 15.576 32.119 ( 0.000 11.046 10.983) 15.576 32.588 ( 0.000 -0.397 0.692) 0.797 32.588 ( 0.000 0.397 0.692) 0.797 32.881 ( 0.000 -3.604 -8.728) 9.443 32.881 ( 0.000 3.604 -8.728) 9.443 33.265 ( 0.000 -2.240 0.600) 2.319 33.265 ( 0.000 2.240 0.600) 2.319 33.725 ( 0.000 -0.315 -2.639) 2.658 33.725 ( 0.000 0.315 -2.639) 2.658 33.830 ( 0.000 -8.569 -2.726) 8.992 33.830 ( 0.000 8.569 -2.726) 8.992 34.930 ( 0.000 -7.532 -0.943) 7.591 34.930 ( 0.000 7.532 -0.943) 7.591 ======================= Grid point 121 (46/64) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -1.448 -11.023 6.840) 13.054 2.591 ( -1.448 11.023 6.840) 13.054 2.778 ( 2.313 -10.497 2.394) 11.012 2.778 ( 2.313 10.497 2.394) 11.012 2.990 ( -1.588 -3.227 0.567) 3.641 2.990 ( -1.588 3.227 0.567) 3.641 3.090 ( 6.918 -6.024 8.198) 12.302 3.090 ( 6.918 6.024 8.198) 12.302 3.292 ( -5.682 -4.248 -3.462) 7.894 3.292 ( -5.682 4.248 -3.462) 7.894 3.385 ( -4.752 -5.938 4.299) 8.737 3.385 ( -4.752 5.938 4.299) 8.737 3.836 ( 2.038 -9.579 3.352) 10.351 3.836 ( 2.038 9.579 3.352) 10.351 4.076 ( 2.017 -5.907 0.025) 6.242 4.076 ( 2.017 5.907 0.025) 6.242 4.383 ( 2.008 -9.054 3.937) 10.075 4.383 ( 2.008 9.054 3.937) 10.075 4.593 ( 0.962 -4.619 4.169) 6.296 4.593 ( 0.962 4.619 4.169) 6.296 4.989 ( 5.684 -6.789 12.839) 15.596 4.989 ( 5.684 6.789 12.839) 15.596 5.218 ( 3.435 -0.961 2.833) 4.555 5.218 ( 3.435 0.961 2.833) 4.555 5.455 ( 2.727 -10.973 -1.737) 11.440 5.455 ( 2.727 10.973 -1.737) 11.440 5.778 ( -5.926 -6.733 -7.209) 11.508 5.778 ( -5.926 6.733 -7.209) 11.508 5.982 ( 2.889 -13.890 3.410) 14.591 5.982 ( 2.889 13.890 3.410) 14.592 6.389 ( 4.627 -4.229 -3.615) 7.236 6.389 ( 4.627 4.229 -3.615) 7.236 6.622 ( 2.841 -8.982 9.635) 13.475 6.622 ( 2.841 8.982 9.635) 13.475 7.056 ( -3.500 -14.222 2.697) 14.893 7.056 ( -3.500 14.222 2.697) 14.893 7.439 ( -4.637 -4.470 -1.248) 6.561 7.439 ( -4.637 4.470 -1.248) 6.561 7.629 ( -2.173 -3.751 6.716) 7.994 7.629 ( -2.173 3.751 6.716) 7.994 7.934 ( 2.979 -7.806 -21.006) 22.607 7.934 ( 2.979 7.806 -21.006) 22.607 8.196 ( 1.389 -6.541 -8.448) 10.775 8.196 ( 1.389 6.541 -8.448) 10.775 8.697 ( -4.478 -6.600 -6.141) 10.066 8.697 ( -4.478 6.600 -6.141) 10.066 9.423 ( -11.137 -12.514 2.295) 16.908 9.423 ( -11.137 12.514 2.295) 16.908 9.743 ( 9.301 -6.615 -0.016) 11.414 9.743 ( 9.301 6.615 -0.016) 11.414 10.273 ( 6.856 -8.114 -9.011) 13.930 10.273 ( 6.856 8.114 -9.011) 13.930 10.505 ( -4.310 -12.182 7.923) 15.158 10.505 ( -4.310 12.182 7.923) 15.158 10.701 ( 4.180 -14.054 2.529) 14.878 10.701 ( 4.180 14.054 2.529) 14.878 11.178 ( -0.531 -10.045 19.487) 21.930 11.178 ( -0.531 10.045 19.487) 21.930 11.487 ( 0.944 -4.334 -1.907) 4.828 11.487 ( 0.944 4.334 -1.907) 4.828 11.836 ( 0.270 -8.192 2.640) 8.611 11.836 ( 0.270 8.192 2.640) 8.611 12.177 ( -11.324 -8.652 -9.022) 16.867 12.177 ( -11.324 8.652 -9.022) 16.867 12.396 ( 5.926 -7.209 -4.617) 10.412 12.396 ( 5.926 7.209 -4.617) 10.412 12.870 ( 5.839 -2.172 -6.069) 8.697 12.870 ( 5.839 2.172 -6.069) 8.697 13.128 ( 2.675 -5.965 9.815) 11.793 13.128 ( 2.675 5.965 9.815) 11.793 13.713 ( -5.648 -7.149 -15.042) 17.586 13.713 ( -5.648 7.149 -15.042) 17.586 14.030 ( 0.238 -1.470 2.804) 3.174 14.030 ( 0.238 1.470 2.804) 3.174 14.578 ( -9.994 -3.805 6.164) 12.343 14.578 ( -9.994 3.805 6.164) 12.343 15.069 ( 1.949 -6.663 3.496) 7.773 15.069 ( 1.949 6.663 3.496) 7.773 15.324 ( -4.029 -2.830 2.791) 5.659 15.324 ( -4.029 2.830 2.791) 5.659 15.923 ( -0.987 -4.438 -10.858) 11.771 15.923 ( -0.987 4.438 -10.858) 11.771 16.020 ( 0.580 -2.823 -3.282) 4.368 16.020 ( 0.580 2.823 -3.282) 4.368 16.880 ( 3.412 -3.308 0.786) 4.817 16.880 ( 3.412 3.308 0.786) 4.817 17.012 ( 3.404 -6.321 -3.950) 8.194 17.012 ( 3.404 6.321 -3.950) 8.194 17.400 ( 2.945 -2.306 1.555) 4.051 17.400 ( 2.945 2.306 1.555) 4.051 17.779 ( -3.149 -3.388 -0.228) 4.631 17.779 ( -3.149 3.388 -0.228) 4.631 17.998 ( 2.056 -17.120 3.882) 17.674 17.998 ( 2.056 17.120 3.882) 17.674 18.265 ( -1.481 -14.576 -8.946) 17.166 18.265 ( -1.481 14.576 -8.946) 17.166 20.016 ( 6.127 -8.450 4.831) 11.501 20.016 ( 6.127 8.450 4.831) 11.501 21.008 ( -8.639 -3.760 3.302) 9.983 21.008 ( -8.639 3.760 3.302) 9.983 21.495 ( 1.146 -0.109 -1.135) 1.616 21.495 ( 1.146 0.109 -1.135) 1.616 21.562 ( 0.047 -10.348 0.570) 10.364 21.562 ( 0.047 10.348 0.570) 10.364 24.400 ( 1.448 -10.438 6.060) 12.156 24.400 ( 1.448 10.438 6.060) 12.156 24.685 ( -2.470 -23.577 11.665) 26.421 24.685 ( -2.470 23.577 11.665) 26.421 25.561 ( 0.952 -11.879 -14.543) 18.802 25.561 ( 0.952 11.879 -14.543) 18.802 25.651 ( 0.986 -9.884 -10.084) 14.155 25.651 ( 0.986 9.884 -10.084) 14.155 26.714 ( 4.727 -9.785 7.891) 13.430 26.714 ( 4.727 9.785 7.891) 13.430 27.079 ( 2.311 -11.825 -2.380) 12.281 27.079 ( 2.311 11.825 -2.380) 12.281 27.367 ( -0.590 -6.716 9.391) 11.561 27.367 ( -0.590 6.716 9.391) 11.561 27.722 ( -0.908 -5.296 8.086) 9.709 27.722 ( -0.908 5.296 8.086) 9.709 28.007 ( 4.093 -4.371 -1.043) 6.078 28.007 ( 4.093 4.371 -1.043) 6.078 28.157 ( -0.720 -2.780 6.534) 7.137 28.157 ( -0.720 2.780 6.534) 7.137 28.217 ( -3.770 -4.110 -7.075) 9.009 28.217 ( -3.770 4.110 -7.075) 9.009 28.430 ( 1.343 -6.573 -1.444) 6.863 28.430 ( 1.343 6.573 -1.444) 6.863 29.061 ( 2.052 -2.467 0.531) 3.253 29.061 ( 2.052 2.467 0.531) 3.253 29.135 ( -2.080 -2.257 0.670) 3.142 29.135 ( -2.080 2.257 0.670) 3.142 29.316 ( -0.950 -3.851 0.461) 3.993 29.316 ( -0.950 3.851 0.461) 3.993 29.422 ( 0.263 -6.173 -2.443) 6.644 29.422 ( 0.263 6.173 -2.443) 6.644 29.685 ( 5.837 -3.730 -2.203) 7.269 29.685 ( 5.837 3.730 -2.203) 7.269 30.104 ( -1.345 -1.348 0.694) 2.027 30.104 ( -1.345 1.348 0.694) 2.027 31.910 ( 1.160 -3.492 -3.539) 5.106 31.910 ( 1.160 3.492 -3.539) 5.106 32.135 ( 1.253 -9.338 8.920) 12.975 32.135 ( 1.253 9.338 8.920) 12.975 32.589 ( 0.113 -2.566 1.084) 2.788 32.589 ( 0.113 2.566 1.084) 2.788 32.875 ( -0.741 -3.325 -5.432) 6.412 32.875 ( -0.741 3.325 -5.432) 6.412 33.187 ( -7.906 -4.796 0.037) 9.247 33.187 ( -7.906 4.796 0.037) 9.247 33.424 ( -14.039 -6.468 -6.568) 16.795 33.424 ( -14.039 6.468 -6.568) 16.795 34.129 ( 15.113 -5.430 -0.085) 16.060 34.129 ( 15.113 5.430 -0.085) 16.060 34.881 ( -4.634 -7.758 -0.785) 9.071 34.881 ( -4.634 7.758 -0.785) 9.071 ======================= Grid point 123 (47/64) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -3.592 -10.410 3.472) 11.547 2.512 ( -3.592 10.410 3.472) 11.547 2.710 ( -10.694 -4.493 2.376) 11.841 2.710 ( -10.694 4.493 2.376) 11.841 3.010 ( 6.032 -9.687 -0.837) 11.443 3.010 ( 6.032 9.687 -0.837) 11.443 3.198 ( 2.775 -8.686 4.756) 10.284 3.198 ( 2.775 8.686 4.756) 10.284 3.238 ( 0.225 -5.653 -1.255) 5.795 3.238 ( 0.225 5.653 -1.255) 5.795 3.300 ( -4.608 -9.257 -1.771) 10.491 3.300 ( -4.608 9.257 -1.771) 10.491 3.972 ( 9.221 -4.656 9.490) 14.027 3.972 ( 9.221 4.656 9.490) 14.027 4.135 ( 2.708 -5.771 1.477) 6.543 4.135 ( 2.708 5.771 1.477) 6.543 4.406 ( 3.555 -5.543 8.981) 11.137 4.406 ( 3.555 5.543 8.981) 11.137 4.658 ( 3.139 -8.354 2.130) 9.175 4.658 ( 3.139 8.354 2.130) 9.175 5.072 ( 1.979 -4.397 6.686) 8.243 5.072 ( 1.979 4.397 6.686) 8.243 5.219 ( -4.241 -2.924 -2.710) 5.821 5.219 ( -4.241 2.924 -2.710) 5.821 5.532 ( 3.483 -9.360 -2.114) 10.208 5.532 ( 3.483 9.360 -2.114) 10.208 5.625 ( -5.732 -4.228 -1.699) 7.322 5.625 ( -5.732 4.228 -1.699) 7.322 6.111 ( 8.643 -13.937 6.659) 17.700 6.111 ( 8.643 13.937 6.659) 17.700 6.428 ( -2.275 -13.067 5.333) 14.295 6.428 ( -2.275 13.067 5.333) 14.295 6.752 ( 9.553 -14.829 5.520) 18.483 6.752 ( 9.553 14.829 5.520) 18.483 7.003 ( -2.239 -22.194 -0.650) 22.316 7.003 ( -2.239 22.194 -0.650) 22.316 7.341 ( -1.873 -7.641 -1.997) 8.117 7.341 ( -1.873 7.641 -1.997) 8.117 7.579 ( -4.541 -12.202 2.499) 13.257 7.579 ( -4.541 12.202 2.499) 13.257 7.963 ( -0.382 -4.076 -10.285) 11.070 7.963 ( -0.382 4.076 -10.285) 11.070 8.137 ( -6.591 -3.964 -2.327) 8.035 8.137 ( -6.591 3.964 -2.327) 8.035 8.707 ( 6.546 -11.488 -10.241) 16.725 8.707 ( 6.546 11.488 -10.241) 16.725 9.166 ( -12.853 -8.595 -7.253) 17.079 9.166 ( -12.853 8.595 -7.253) 17.079 9.968 ( 10.860 -1.187 5.323) 12.153 9.968 ( 10.860 1.187 5.323) 12.153 10.275 ( -5.299 -2.284 6.156) 8.437 10.275 ( -5.299 2.284 6.156) 8.437 10.567 ( 8.340 -6.967 -1.065) 10.919 10.567 ( 8.340 6.967 -1.065) 10.919 10.771 ( 1.308 -8.196 0.549) 8.317 10.771 ( 1.308 8.196 0.549) 8.317 11.165 ( 2.097 -12.354 7.968) 14.850 11.165 ( 2.097 12.354 7.968) 14.850 11.517 ( -1.993 -7.449 -0.189) 7.713 11.517 ( -1.993 7.449 -0.189) 7.713 11.761 ( -3.574 -9.439 -5.750) 11.616 11.761 ( -3.574 9.439 -5.750) 11.616 12.004 ( -6.860 -3.104 -7.526) 10.647 12.004 ( -6.860 3.104 -7.526) 10.647 12.565 ( 10.019 -6.509 0.088) 11.948 12.565 ( 10.019 6.509 0.088) 11.948 12.868 ( -3.766 -2.847 8.177) 9.442 12.868 ( -3.766 2.847 8.177) 9.442 13.274 ( 9.115 -7.425 -1.975) 11.921 13.274 ( 9.115 7.425 -1.975) 11.921 13.595 ( -6.112 -8.081 -13.139) 16.592 13.595 ( -6.112 8.081 -13.139) 16.592 14.023 ( 0.478 -0.912 1.825) 2.096 14.023 ( 0.478 0.912 1.825) 2.096 14.329 ( -12.939 -6.013 3.447) 14.678 14.329 ( -12.939 6.013 3.447) 14.678 15.119 ( 2.684 -7.302 3.318) 8.457 15.119 ( 2.684 7.302 3.318) 8.457 15.241 ( -3.652 -6.576 2.261) 7.854 15.241 ( -3.652 6.576 2.261) 7.854 15.923 ( 1.038 -6.473 -7.052) 9.629 15.923 ( 1.038 6.473 -7.052) 9.629 16.006 ( -1.773 -5.279 -3.128) 6.388 16.006 ( -1.773 5.279 -3.128) 6.388 16.968 ( 4.766 -3.832 1.087) 6.211 16.968 ( 4.766 3.832 1.087) 6.211 17.067 ( 1.270 -4.757 -1.005) 5.025 17.067 ( 1.270 4.757 -1.005) 5.025 17.481 ( 4.764 -3.412 0.712) 5.903 17.481 ( 4.764 3.412 0.712) 5.903 17.693 ( -5.030 -4.177 -0.837) 6.591 17.693 ( -5.030 4.177 -0.837) 6.591 18.055 ( 3.462 -17.163 0.668) 17.521 18.055 ( 3.462 17.163 0.668) 17.521 18.214 ( -3.427 -15.814 -6.772) 17.541 18.214 ( -3.427 15.814 -6.772) 17.541 20.200 ( 11.707 -7.530 4.698) 14.691 20.200 ( 11.707 7.530 4.698) 14.691 20.773 ( -13.814 -5.381 4.015) 15.359 20.773 ( -13.814 5.381 4.015) 15.359 21.522 ( 1.300 -2.441 -1.372) 3.087 21.522 ( 1.300 2.441 -1.372) 3.087 21.559 ( -0.399 -7.855 -0.367) 7.874 21.559 ( -0.399 7.855 -0.367) 7.874 24.450 ( 3.453 -12.923 6.895) 15.049 24.450 ( 3.453 12.923 6.895) 15.049 24.618 ( -3.932 -19.654 9.793) 22.308 24.618 ( -3.932 19.654 9.793) 22.308 25.586 ( 1.509 -10.257 -13.916) 17.354 25.586 ( 1.509 10.257 -13.916) 17.354 25.653 ( -0.882 -8.996 -11.081) 14.300 25.653 ( -0.882 8.996 -11.081) 14.300 26.853 ( 8.403 -9.570 7.737) 14.902 26.853 ( 8.403 9.570 7.737) 14.902 27.110 ( -0.770 -8.273 4.378) 9.391 27.110 ( -0.770 8.273 4.378) 9.391 27.397 ( 4.260 -2.170 6.136) 7.779 27.397 ( 4.260 2.170 6.136) 7.779 27.663 ( -5.040 -5.625 8.172) 11.127 27.663 ( -5.040 5.625 8.172) 11.127 28.066 ( 0.753 -2.007 -0.242) 2.158 28.066 ( 0.753 2.007 -0.242) 2.158 28.151 ( -1.502 -4.303 4.158) 6.169 28.151 ( -1.502 4.303 4.158) 6.169 28.196 ( 4.389 -4.616 -6.957) 9.432 28.196 ( 4.389 4.616 -6.957) 9.432 28.419 ( -2.661 -7.253 -2.341) 8.072 28.419 ( -2.661 7.253 -2.341) 8.072 29.061 ( -1.260 -2.388 0.697) 2.788 29.061 ( -1.260 2.388 0.697) 2.788 29.100 ( -1.743 -0.453 0.034) 1.801 29.100 ( -1.743 0.453 0.034) 1.801 29.335 ( 2.643 -3.147 -1.505) 4.376 29.335 ( 2.643 3.147 -1.505) 4.376 29.421 ( -0.564 -2.374 -2.901) 3.791 29.421 ( -0.564 2.374 -2.901) 3.791 29.827 ( 7.426 -0.686 0.767) 7.497 29.827 ( 7.426 0.686 0.767) 7.497 30.058 ( -3.304 -1.721 0.803) 3.811 30.058 ( -3.304 1.721 0.803) 3.811 31.961 ( 4.022 -4.643 -2.882) 6.785 31.961 ( 4.022 4.643 -2.882) 6.785 32.144 ( -1.278 -3.684 3.207) 5.048 32.144 ( -1.278 3.684 3.207) 5.048 32.599 ( 1.409 -5.044 3.279) 6.179 32.599 ( 1.409 5.044 3.279) 6.179 32.818 ( -6.285 -6.082 4.677) 9.918 32.818 ( -6.285 6.082 4.677) 9.918 33.030 ( -3.061 -5.717 -8.959) 11.060 33.030 ( -3.061 5.717 -8.959) 11.060 33.212 ( -8.144 -7.220 -6.077) 12.466 33.212 ( -8.144 7.220 -6.077) 12.466 34.396 ( 11.185 -6.191 0.798) 12.809 34.396 ( 11.185 6.191 0.798) 12.809 34.757 ( -7.205 -7.844 -0.281) 10.654 34.757 ( -7.205 7.844 -0.281) 10.654 ======================= Grid point 125 (48/64) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -4.916 -7.849 3.940) 10.065 2.522 ( 3.609 -7.669 3.940) 9.347 2.522 ( -3.609 7.669 3.940) 9.347 2.522 ( 4.916 7.849 3.940) 10.065 3.151 ( -6.388 -10.851 -1.880) 12.731 3.151 ( 5.279 -10.701 -1.880) 12.079 3.151 ( -5.279 10.701 -1.880) 12.079 3.151 ( 6.388 10.851 -1.880) 12.731 3.250 ( -1.798 -7.899 -0.387) 8.110 3.250 ( 1.702 -7.893 -0.387) 8.084 3.250 ( -1.702 7.893 -0.387) 8.084 3.250 ( 1.798 7.899 -0.387) 8.110 4.112 ( -4.492 -4.905 6.499) 9.299 4.112 ( 4.445 -4.894 6.499) 9.271 4.112 ( -4.445 4.894 6.499) 9.271 4.112 ( 4.492 4.905 6.499) 9.299 4.594 ( -7.543 -9.209 7.204) 13.914 4.594 ( -1.093 -8.419 7.204) 11.135 4.594 ( 1.093 8.419 7.204) 11.135 4.594 ( 7.543 9.209 7.204) 13.914 5.113 ( -3.720 -6.163 -1.154) 7.291 5.113 ( 3.134 -6.081 -1.154) 6.938 5.113 ( -3.134 6.081 -1.154) 6.938 5.113 ( 3.720 6.163 -1.154) 7.291 5.571 ( -1.102 -7.944 -2.177) 8.310 5.571 ( 1.073 -7.943 -2.177) 8.306 5.571 ( -1.073 7.943 -2.177) 8.306 5.571 ( 1.102 7.944 -2.177) 8.310 6.303 ( -9.042 -15.383 8.773) 19.884 6.303 ( 9.024 -15.381 8.773) 19.873 6.303 ( -9.024 15.381 8.773) 19.873 6.303 ( 9.042 15.383 8.773) 19.884 6.927 ( -6.089 -22.985 1.951) 23.857 6.927 ( 6.071 -22.983 1.951) 23.852 6.927 ( -6.071 22.984 1.951) 23.852 6.927 ( 6.089 22.985 1.951) 23.857 7.422 ( -8.544 -8.632 -2.364) 12.373 7.422 ( 7.030 -8.283 -2.364) 11.118 7.422 ( -7.030 8.283 -2.364) 11.118 7.422 ( 8.544 8.632 -2.364) 12.373 8.000 ( -4.237 -3.982 0.108) 5.815 8.000 ( -0.229 -3.374 0.108) 3.384 8.000 ( 0.229 3.374 0.108) 3.384 8.000 ( 4.237 3.982 0.108) 5.815 8.912 ( -9.902 -14.808 -12.967) 22.034 8.912 ( 4.274 -14.119 -12.967) 19.640 8.912 ( -4.274 14.119 -12.967) 19.640 8.912 ( 9.902 14.808 -12.967) 22.034 10.150 ( -3.525 -7.908 8.426) 12.082 10.150 ( -1.831 -7.764 8.426) 11.603 10.150 ( 1.831 7.764 8.426) 11.603 10.150 ( 3.525 7.908 8.426) 12.082 10.720 ( -5.277 -8.383 0.875) 9.945 10.720 ( 4.007 -8.206 0.875) 9.174 10.720 ( -4.007 8.206 0.875) 9.174 10.720 ( 5.277 8.383 0.875) 9.945 11.325 ( -11.781 -17.465 -4.171) 21.477 11.325 ( 10.778 -17.303 -4.171) 20.807 11.325 ( -10.778 17.303 -4.171) 20.807 11.325 ( 11.781 17.465 -4.171) 21.477 11.844 ( -8.202 -1.568 -3.269) 8.968 11.844 ( -8.007 1.292 -3.269) 8.744 11.844 ( 8.007 -1.292 -3.269) 8.744 11.844 ( 8.202 1.568 -3.269) 8.968 12.755 ( -7.612 -5.542 5.676) 10.995 12.755 ( 7.503 -5.505 5.676) 10.901 12.755 ( -7.503 5.505 5.676) 10.901 12.755 ( 7.612 5.542 5.676) 10.995 13.450 ( -7.985 -7.069 -8.149) 13.422 13.450 ( 7.327 -6.888 -8.149) 12.944 13.450 ( -7.327 6.888 -8.149) 12.944 13.450 ( 7.985 7.069 -8.149) 13.422 14.106 ( -7.729 -6.005 2.022) 9.994 14.106 ( 3.961 -5.005 2.022) 6.695 14.106 ( -3.961 5.005 2.022) 6.695 14.106 ( 7.729 6.005 2.022) 9.994 15.176 ( -2.216 -11.880 2.300) 12.302 15.176 ( 1.860 -11.865 2.300) 12.228 15.176 ( -1.860 11.865 2.300) 12.228 15.176 ( 2.216 11.880 2.300) 12.302 15.960 ( -2.220 -7.245 -3.980) 8.559 15.960 ( 2.083 -7.235 -3.980) 8.516 15.960 ( -2.083 7.235 -3.980) 8.516 15.960 ( 2.220 7.245 -3.980) 8.559 17.051 ( -1.898 -6.771 0.817) 7.079 17.051 ( 1.106 -6.727 0.817) 6.866 17.051 ( -1.106 6.727 0.817) 6.866 17.051 ( 1.898 6.771 0.817) 7.079 17.585 ( -4.744 -5.611 -0.463) 7.362 17.585 ( 2.196 -5.202 -0.463) 5.665 17.585 ( -2.196 5.202 -0.463) 5.665 17.585 ( 4.744 5.611 -0.463) 7.362 18.134 ( -4.023 -17.331 -3.356) 18.105 18.134 ( 3.953 -17.327 -3.356) 18.086 18.134 ( -3.953 17.327 -3.356) 18.086 18.134 ( 4.023 17.331 -3.356) 18.105 20.475 ( -11.190 -12.638 4.445) 17.456 20.475 ( -1.025 -11.344 4.445) 12.227 20.475 ( 1.025 11.344 4.445) 12.227 20.475 ( 11.190 12.638 4.445) 17.456 21.545 ( -0.468 -11.320 -1.055) 11.379 21.545 ( 0.404 -11.319 -1.055) 11.375 21.545 ( -0.404 11.319 -1.055) 11.375 21.545 ( 0.468 11.320 -1.055) 11.379 24.532 ( -4.324 -15.815 8.148) 18.309 24.532 ( 4.323 -15.815 8.148) 18.308 24.532 ( -4.323 15.815 8.148) 18.308 24.532 ( 4.324 15.815 8.148) 18.309 25.622 ( -1.851 -9.475 -12.643) 15.908 25.622 ( 1.831 -9.474 -12.643) 15.905 25.622 ( -1.831 9.474 -12.643) 15.905 25.622 ( 1.851 9.475 -12.643) 15.908 27.023 ( -6.095 -12.164 8.052) 15.810 27.023 ( 4.048 -11.949 8.052) 14.967 27.023 ( -4.048 11.949 8.052) 14.967 27.023 ( 6.095 12.164 8.052) 15.810 27.528 ( -7.071 -5.539 4.755) 10.163 27.528 ( 2.305 -4.417 4.755) 6.887 27.528 ( -2.305 4.417 4.755) 6.887 27.528 ( 7.071 5.539 4.755) 10.163 28.098 ( -1.788 -10.228 2.626) 10.710 28.098 ( 1.338 -10.211 2.626) 10.628 28.098 ( -1.338 10.211 2.626) 10.628 28.098 ( 1.788 10.228 2.626) 10.710 28.324 ( -5.849 -8.841 -4.712) 11.601 28.324 ( 4.699 -8.668 -4.712) 10.928 28.324 ( -4.699 8.668 -4.712) 10.928 28.324 ( 5.849 8.841 -4.712) 11.601 29.061 ( -1.283 -2.441 0.288) 2.772 29.061 ( 1.052 -2.413 0.288) 2.648 29.061 ( -1.052 2.413 0.288) 2.648 29.061 ( 1.283 2.441 0.288) 2.772 29.392 ( -2.333 -0.920 -2.414) 3.481 29.392 ( -1.939 0.652 -2.414) 3.165 29.392 ( 1.939 -0.652 -2.414) 3.165 29.392 ( 2.333 0.920 -2.414) 3.481 29.965 ( -5.279 -2.325 1.199) 5.892 29.965 ( -3.123 -0.937 1.199) 3.474 29.965 ( 3.123 0.937 1.199) 3.474 29.965 ( 5.279 2.325 1.199) 5.892 32.067 ( -3.006 -11.236 -1.385) 11.713 32.067 ( 0.633 -11.139 -1.385) 11.243 32.067 ( -0.633 11.139 -1.385) 11.243 32.067 ( 3.006 11.236 -1.385) 11.713 32.673 ( -4.166 -10.518 5.057) 12.392 32.673 ( 1.745 -10.347 5.057) 11.648 32.673 ( -1.745 10.347 5.057) 11.648 32.673 ( 4.166 10.518 5.057) 12.392 33.071 ( -4.851 -6.745 -7.262) 11.035 33.071 ( 3.353 -6.513 -7.262) 10.316 33.071 ( -3.353 6.513 -7.262) 10.316 33.071 ( 4.851 6.745 -7.262) 11.035 34.595 ( -7.196 -10.335 0.449) 12.602 34.595 ( 2.992 -9.803 0.449) 10.260 34.595 ( -2.992 9.803 0.449) 10.260 34.595 ( 7.196 10.335 0.449) 12.602 ======================= Grid point 147 (49/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 0.000 0.000 -30.837) 30.837 2.335 ( 0.000 0.000 30.837) 30.837 2.341 ( 0.000 0.000 -36.968) 36.968 2.341 ( 0.000 0.000 36.968) 36.968 2.801 ( 0.000 0.000 -4.527) 4.527 2.801 ( 0.000 0.000 4.527) 4.527 3.104 ( 0.000 0.000 -4.904) 4.904 3.104 ( 0.000 0.000 4.904) 4.904 3.529 ( 0.000 0.000 -1.860) 1.860 3.529 ( 0.000 0.000 1.860) 1.860 3.634 ( 0.000 0.000 -7.323) 7.323 3.634 ( 0.000 0.000 7.323) 7.323 3.702 ( 0.000 0.000 -9.758) 9.758 3.702 ( 0.000 0.000 9.758) 9.758 4.007 ( 0.000 0.000 -8.366) 8.366 4.007 ( 0.000 0.000 8.366) 8.366 4.181 ( 0.000 0.000 -14.437) 14.437 4.181 ( 0.000 0.000 14.437) 14.437 4.529 ( 0.000 0.000 -15.524) 15.524 4.529 ( 0.000 0.000 15.524) 15.524 4.835 ( 0.000 0.000 -2.932) 2.932 4.835 ( 0.000 0.000 2.932) 2.932 5.065 ( 0.000 0.000 -2.459) 2.459 5.065 ( 0.000 0.000 2.459) 2.459 5.512 ( 0.000 0.000 -5.273) 5.273 5.512 ( 0.000 0.000 5.273) 5.273 6.069 ( 0.000 0.000 -20.541) 20.541 6.069 ( 0.000 0.000 20.541) 20.541 6.080 ( 0.000 0.000 -8.868) 8.868 6.080 ( 0.000 0.000 8.868) 8.868 6.321 ( 0.000 0.000 -16.414) 16.414 6.321 ( 0.000 0.000 16.414) 16.414 6.879 ( 0.000 0.000 -26.184) 26.184 6.879 ( 0.000 0.000 26.184) 26.184 7.271 ( 0.000 0.000 -10.873) 10.873 7.271 ( 0.000 0.000 10.873) 10.873 7.468 ( 0.000 0.000 -15.468) 15.468 7.468 ( 0.000 0.000 15.468) 15.468 7.801 ( 0.000 0.000 -13.845) 13.845 7.801 ( 0.000 0.000 13.845) 13.845 8.086 ( 0.000 0.000 -7.035) 7.035 8.086 ( 0.000 0.000 7.035) 7.035 8.451 ( 0.000 0.000 -4.456) 4.456 8.451 ( 0.000 0.000 4.456) 4.456 8.694 ( 0.000 0.000 -3.013) 3.013 8.694 ( 0.000 0.000 3.013) 3.013 8.984 ( 0.000 0.000 -32.758) 32.758 8.984 ( 0.000 0.000 32.758) 32.758 10.094 ( 0.000 0.000 -18.710) 18.710 10.094 ( 0.000 0.000 18.710) 18.710 10.133 ( 0.000 0.000 -9.743) 9.743 10.133 ( 0.000 0.000 9.743) 9.743 10.163 ( 0.000 0.000 -2.052) 2.052 10.163 ( 0.000 0.000 2.052) 2.052 10.958 ( 0.000 0.000 -5.783) 5.783 10.958 ( 0.000 0.000 5.783) 5.783 11.211 ( 0.000 0.000 -4.002) 4.002 11.211 ( 0.000 0.000 4.002) 4.002 11.477 ( 0.000 0.000 -10.842) 10.842 11.477 ( 0.000 0.000 10.842) 10.842 11.939 ( 0.000 0.000 -8.317) 8.317 11.939 ( 0.000 0.000 8.317) 8.317 12.048 ( 0.000 0.000 -5.590) 5.590 12.048 ( 0.000 0.000 5.590) 5.590 12.648 ( 0.000 0.000 -8.492) 8.492 12.648 ( 0.000 0.000 8.492) 8.492 12.684 ( 0.000 0.000 -4.904) 4.904 12.684 ( 0.000 0.000 4.904) 4.904 13.006 ( 0.000 0.000 -7.229) 7.229 13.006 ( 0.000 0.000 7.229) 7.229 13.217 ( 0.000 0.000 -2.172) 2.172 13.217 ( 0.000 0.000 2.172) 2.172 13.640 ( 0.000 0.000 -20.112) 20.112 13.640 ( 0.000 0.000 20.112) 20.112 14.348 ( 0.000 0.000 -8.962) 8.962 14.348 ( 0.000 0.000 8.962) 8.962 15.364 ( 0.000 0.000 -11.985) 11.985 15.364 ( 0.000 0.000 11.985) 11.985 15.425 ( 0.000 0.000 -20.272) 20.272 15.425 ( 0.000 0.000 20.272) 20.272 16.027 ( 0.000 0.000 -11.317) 11.317 16.027 ( 0.000 0.000 11.317) 11.317 16.048 ( 0.000 0.000 -12.682) 12.682 16.048 ( 0.000 0.000 12.682) 12.682 16.769 ( 0.000 0.000 -4.687) 4.687 16.769 ( 0.000 0.000 4.687) 4.687 17.337 ( 0.000 0.000 -5.245) 5.245 17.337 ( 0.000 0.000 5.245) 5.245 17.659 ( 0.000 0.000 -1.381) 1.381 17.659 ( 0.000 0.000 1.381) 1.381 17.823 ( 0.000 0.000 -3.064) 3.064 17.823 ( 0.000 0.000 3.064) 3.064 17.973 ( 0.000 0.000 -0.027) 0.027 17.973 ( 0.000 0.000 0.027) 0.027 18.908 ( 0.000 0.000 -6.443) 6.443 18.908 ( 0.000 0.000 6.443) 6.443 19.604 ( 0.000 0.000 -6.157) 6.157 19.604 ( 0.000 0.000 6.157) 6.157 20.485 ( 0.000 0.000 -15.926) 15.926 20.485 ( 0.000 0.000 15.926) 15.926 21.053 ( 0.000 0.000 -0.431) 0.431 21.053 ( 0.000 0.000 0.431) 0.431 22.128 ( 0.000 0.000 -13.902) 13.902 22.128 ( 0.000 0.000 13.902) 13.902 23.685 ( 0.000 0.000 -31.590) 31.590 23.685 ( 0.000 0.000 31.590) 31.590 24.770 ( 0.000 0.000 -23.321) 23.321 24.770 ( 0.000 0.000 23.321) 23.321 25.570 ( 0.000 0.000 -11.438) 11.438 25.570 ( 0.000 0.000 11.438) 11.438 26.003 ( 0.000 0.000 -2.551) 2.551 26.003 ( 0.000 0.000 2.551) 2.551 26.117 ( 0.000 0.000 -16.546) 16.546 26.117 ( 0.000 0.000 16.546) 16.546 27.340 ( 0.000 0.000 -10.440) 10.440 27.340 ( 0.000 0.000 10.440) 10.440 27.517 ( 0.000 0.000 -11.319) 11.319 27.517 ( 0.000 0.000 11.319) 11.319 27.569 ( 0.000 0.000 -13.556) 13.556 27.569 ( 0.000 0.000 13.556) 13.556 27.666 ( 0.000 0.000 -6.785) 6.785 27.666 ( 0.000 0.000 6.785) 6.785 28.301 ( 0.000 0.000 -10.106) 10.106 28.301 ( 0.000 0.000 10.106) 10.106 28.429 ( 0.000 0.000 -11.151) 11.151 28.429 ( 0.000 0.000 11.151) 11.151 28.855 ( 0.000 0.000 -7.489) 7.489 28.855 ( 0.000 0.000 7.489) 7.489 28.981 ( 0.000 0.000 -1.645) 1.645 28.981 ( 0.000 0.000 1.645) 1.645 29.101 ( 0.000 0.000 -0.526) 0.526 29.101 ( 0.000 0.000 0.526) 0.526 29.357 ( 0.000 0.000 -1.284) 1.284 29.357 ( 0.000 0.000 1.284) 1.284 30.023 ( 0.000 0.000 -0.109) 0.109 30.023 ( 0.000 0.000 0.109) 0.109 30.106 ( 0.000 0.000 -5.829) 5.829 30.106 ( 0.000 0.000 5.829) 5.829 30.236 ( 0.000 0.000 -1.121) 1.121 30.236 ( 0.000 0.000 1.121) 1.121 31.496 ( 0.000 0.000 -10.369) 10.369 31.496 ( 0.000 0.000 10.369) 10.369 31.848 ( 0.000 0.000 -23.556) 23.556 31.848 ( 0.000 0.000 23.556) 23.556 32.821 ( 0.000 0.000 -8.892) 8.892 32.821 ( 0.000 0.000 8.892) 8.892 33.014 ( 0.000 0.000 -1.220) 1.220 33.014 ( 0.000 0.000 1.220) 1.220 33.174 ( 0.000 0.000 -4.383) 4.383 33.174 ( 0.000 0.000 4.383) 4.383 33.339 ( 0.000 0.000 -5.041) 5.041 33.339 ( 0.000 0.000 5.041) 5.041 33.856 ( 0.000 0.000 -6.196) 6.196 33.856 ( 0.000 0.000 6.196) 6.196 34.615 ( 0.000 0.000 -6.055) 6.055 34.615 ( 0.000 0.000 6.055) 6.055 ======================= Grid point 149 (50/64) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 7.584 0.000 -34.700) 35.519 2.421 ( 7.584 0.000 34.700) 35.519 2.431 ( 7.682 0.000 -27.667) 28.713 2.431 ( 7.682 0.000 27.667) 28.713 2.807 ( 0.226 0.000 -4.500) 4.506 2.807 ( 0.226 0.000 4.500) 4.506 3.131 ( 2.375 0.000 -4.198) 4.823 3.131 ( 2.375 0.000 4.198) 4.823 3.467 ( -5.444 0.000 -3.315) 6.374 3.467 ( -5.444 0.000 3.315) 6.374 3.618 ( -0.060 0.000 -7.727) 7.727 3.618 ( -0.060 0.000 7.727) 7.727 3.815 ( 9.557 0.000 -0.982) 9.607 3.815 ( 9.557 0.000 0.982) 9.607 3.940 ( -3.184 0.000 -9.732) 10.239 3.940 ( -3.184 0.000 9.732) 10.239 4.264 ( 2.871 0.000 -16.133) 16.387 4.264 ( 2.871 0.000 16.133) 16.387 4.621 ( 7.766 0.000 -15.553) 17.384 4.621 ( 7.766 0.000 15.553) 17.384 4.785 ( -1.314 0.000 -6.263) 6.400 4.785 ( -1.314 0.000 6.263) 6.400 5.135 ( 4.605 0.000 -11.759) 12.628 5.135 ( 4.605 0.000 11.759) 12.628 5.343 ( -12.985 0.000 -3.462) 13.438 5.343 ( -12.985 0.000 3.462) 13.438 6.015 ( -4.683 0.000 -19.366) 19.924 6.015 ( -4.683 0.000 19.366) 19.924 6.060 ( -2.487 0.000 -9.379) 9.704 6.060 ( -2.487 0.000 9.379) 9.704 6.397 ( 5.911 0.000 -14.474) 15.635 6.397 ( 5.911 0.000 14.474) 15.635 6.830 ( -6.589 0.000 -19.873) 20.937 6.830 ( -6.589 0.000 19.873) 20.937 7.211 ( -3.560 0.000 -3.658) 5.104 7.211 ( -3.560 0.000 3.658) 5.104 7.478 ( 0.914 0.000 -13.333) 13.364 7.478 ( 0.914 0.000 13.333) 13.364 7.975 ( 15.784 0.000 -10.928) 19.198 7.975 ( 15.784 0.000 10.928) 19.198 8.095 ( 0.929 0.000 -5.470) 5.548 8.095 ( 0.929 0.000 5.470) 5.548 8.424 ( -2.411 0.000 -7.297) 7.685 8.424 ( -2.411 0.000 7.297) 7.685 8.639 ( -4.889 0.000 -2.833) 5.650 8.639 ( -4.889 0.000 2.833) 5.650 9.066 ( 5.934 0.000 -24.386) 25.097 9.066 ( 5.934 0.000 24.386) 25.097 10.053 ( -2.979 0.000 -11.388) 11.771 10.053 ( -2.979 0.000 11.388) 11.771 10.063 ( -1.925 0.000 -12.468) 12.615 10.063 ( -1.925 0.000 12.468) 12.615 10.294 ( 7.420 0.000 -13.785) 15.655 10.294 ( 7.420 0.000 13.785) 15.655 10.833 ( -11.894 0.000 -21.755) 24.794 10.833 ( -11.894 0.000 21.755) 24.794 11.197 ( 0.082 0.000 -5.184) 5.184 11.197 ( 0.082 0.000 5.184) 5.184 11.486 ( 0.618 0.000 -13.260) 13.274 11.486 ( 0.618 0.000 13.260) 13.274 11.897 ( -3.257 0.000 -11.086) 11.554 11.897 ( -3.257 0.000 11.086) 11.554 12.189 ( 11.311 0.000 -8.170) 13.953 12.189 ( 11.311 0.000 8.170) 13.953 12.617 ( -3.441 0.000 -9.797) 10.384 12.617 ( -3.441 0.000 9.797) 10.384 12.665 ( -1.228 0.000 -3.764) 3.959 12.665 ( -1.228 0.000 3.764) 3.959 12.882 ( -7.384 0.000 -8.604) 11.338 12.882 ( -7.384 0.000 8.604) 11.338 13.313 ( 6.209 0.000 -8.344) 10.401 13.313 ( 6.209 0.000 8.344) 10.401 13.546 ( -8.695 0.000 -18.812) 20.724 13.546 ( -8.695 0.000 18.812) 20.724 14.274 ( -6.035 0.000 -10.050) 11.723 14.274 ( -6.035 0.000 10.050) 11.723 15.392 ( 1.893 0.000 -10.829) 10.994 15.392 ( 1.893 0.000 10.829) 10.994 15.489 ( 5.812 0.000 -20.050) 20.875 15.489 ( 5.812 0.000 20.050) 20.875 15.959 ( -5.751 0.000 -11.685) 13.023 15.959 ( -5.751 0.000 11.685) 13.023 16.030 ( -1.696 0.000 -14.183) 14.284 16.030 ( -1.696 0.000 14.183) 14.284 16.795 ( 2.182 0.000 -3.951) 4.513 16.795 ( 2.182 0.000 3.951) 4.513 17.340 ( 0.163 0.000 -4.622) 4.625 17.340 ( 0.163 0.000 4.622) 4.625 17.649 ( -0.776 0.000 -1.126) 1.368 17.649 ( -0.776 0.000 1.126) 1.368 17.818 ( -0.435 0.000 -2.778) 2.812 17.818 ( -0.435 0.000 2.778) 2.812 17.985 ( 0.926 0.000 -0.281) 0.968 17.985 ( 0.926 0.000 0.281) 0.968 19.006 ( 7.762 0.000 -3.575) 8.546 19.006 ( 7.762 0.000 3.575) 8.546 19.657 ( 5.089 0.000 -6.464) 8.227 19.657 ( 5.089 0.000 6.464) 8.227 20.469 ( -1.245 0.000 -13.907) 13.962 20.469 ( -1.245 0.000 13.907) 13.962 20.938 ( -10.511 0.000 -3.649) 11.126 20.938 ( -10.511 0.000 3.649) 11.126 22.127 ( -0.047 0.000 -11.687) 11.687 22.127 ( -0.047 0.000 11.687) 11.687 23.740 ( 5.021 0.000 -29.682) 30.104 23.740 ( 5.021 0.000 29.682) 30.104 24.707 ( -5.701 0.000 -21.575) 22.316 24.707 ( -5.701 0.000 21.575) 22.316 25.606 ( 3.438 0.000 -11.830) 12.319 25.606 ( 3.438 0.000 11.830) 12.319 26.078 ( -3.747 0.000 -16.401) 16.824 26.078 ( -3.747 0.000 16.401) 16.824 26.103 ( 9.099 0.000 -1.878) 9.290 26.103 ( 9.099 0.000 1.878) 9.290 27.283 ( -5.081 0.000 -8.689) 10.066 27.283 ( -5.081 0.000 8.689) 10.066 27.588 ( 6.713 0.000 -8.979) 11.211 27.588 ( 6.713 0.000 8.979) 11.211 27.600 ( 2.418 0.000 -11.484) 11.735 27.600 ( 2.418 0.000 11.484) 11.735 27.675 ( 0.863 0.000 -6.766) 6.821 27.675 ( 0.863 0.000 6.766) 6.821 28.189 ( -5.664 0.000 -7.228) 9.182 28.189 ( -5.664 0.000 7.228) 9.182 28.589 ( 9.393 0.000 -10.964) 14.438 28.589 ( 9.393 0.000 10.964) 14.438 28.891 ( 3.719 0.000 -7.492) 8.364 28.891 ( 3.719 0.000 7.492) 8.364 28.976 ( -0.284 0.000 -1.599) 1.624 28.976 ( -0.284 0.000 1.599) 1.624 29.129 ( 2.442 0.000 -0.500) 2.492 29.129 ( 2.442 0.000 0.500) 2.492 29.328 ( -2.578 0.000 -1.913) 3.210 29.328 ( -2.578 0.000 1.913) 3.210 29.989 ( -10.280 0.000 -4.954) 11.411 29.989 ( -10.280 0.000 4.954) 11.411 30.005 ( -1.649 0.000 -0.876) 1.867 30.005 ( -1.649 0.000 0.876) 1.867 30.230 ( -0.530 0.000 -1.093) 1.215 30.230 ( -0.530 0.000 1.093) 1.215 31.475 ( -1.678 0.000 -10.065) 10.204 31.475 ( -1.678 0.000 10.065) 10.204 31.886 ( 3.546 0.000 -21.693) 21.980 31.886 ( 3.546 0.000 21.693) 21.980 32.776 ( -4.121 0.000 -9.936) 10.756 32.776 ( -4.121 0.000 9.936) 10.756 32.808 ( -14.084 0.000 -6.265) 15.415 32.808 ( -14.084 0.000 6.265) 15.415 33.217 ( 4.056 0.000 -4.517) 6.071 33.217 ( 4.056 0.000 4.517) 6.071 33.448 ( 6.304 0.000 -4.038) 7.486 33.448 ( 6.304 0.000 4.038) 7.486 33.811 ( -4.279 0.000 -5.858) 7.254 33.811 ( -4.279 0.000 5.858) 7.254 34.704 ( 6.769 0.000 -8.224) 10.651 34.704 ( 6.769 0.000 8.224) 10.651 ======================= Grid point 151 (51/64) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 5.815 0.000 -17.427) 18.372 2.576 ( 5.815 0.000 17.427) 18.372 2.625 ( 11.353 0.000 -26.877) 29.177 2.625 ( 11.353 0.000 26.877) 29.177 2.793 ( -1.787 0.000 -6.615) 6.852 2.793 ( -1.787 0.000 6.615) 6.852 3.149 ( -1.333 0.000 -5.206) 5.374 3.149 ( -1.333 0.000 5.206) 5.374 3.320 ( -8.549 0.000 -9.052) 12.451 3.320 ( -8.549 0.000 9.052) 12.451 3.713 ( 8.871 0.000 -7.549) 11.648 3.713 ( 8.871 0.000 7.549) 11.648 3.912 ( 1.268 0.000 -8.919) 9.008 3.912 ( 1.268 0.000 8.919) 9.008 4.046 ( 12.627 0.000 -9.017) 15.516 4.046 ( 12.627 0.000 9.017) 15.516 4.245 ( -4.037 0.000 -14.753) 15.296 4.245 ( -4.037 0.000 14.753) 15.296 4.653 ( -9.838 0.000 -0.486) 9.850 4.653 ( -9.838 0.000 0.486) 9.850 4.794 ( 0.256 0.000 -3.540) 3.549 4.794 ( 0.256 0.000 3.540) 3.549 5.223 ( 3.856 0.000 -10.511) 11.196 5.223 ( 3.856 0.000 10.511) 11.196 5.255 ( 10.086 0.000 -15.421) 18.426 5.255 ( 10.086 0.000 15.421) 18.426 5.912 ( -4.450 0.000 -12.099) 12.892 5.912 ( -4.450 0.000 12.099) 12.892 5.975 ( -6.216 0.000 -5.797) 8.500 5.975 ( -6.216 0.000 5.797) 8.500 6.502 ( 3.461 0.000 -7.939) 8.660 6.502 ( 3.461 0.000 7.939) 8.660 6.571 ( -15.485 0.000 -9.901) 18.379 6.571 ( -15.485 0.000 9.901) 18.379 7.221 ( 3.054 0.000 -12.716) 13.078 7.221 ( 3.054 0.000 12.716) 13.078 7.505 ( 1.810 0.000 -7.063) 7.291 7.505 ( 1.810 0.000 7.063) 7.291 8.109 ( -0.345 0.000 -3.838) 3.854 8.109 ( -0.345 0.000 3.838) 3.854 8.338 ( 17.181 0.000 -10.897) 20.346 8.338 ( 17.181 0.000 10.897) 20.346 8.382 ( -0.472 0.000 -11.101) 11.111 8.382 ( -0.472 0.000 11.101) 11.111 8.526 ( -5.578 0.000 -1.910) 5.896 8.526 ( -5.578 0.000 1.910) 5.896 9.132 ( -0.551 0.000 -11.660) 11.673 9.132 ( -0.551 0.000 11.660) 11.673 10.019 ( -0.635 0.000 -7.007) 7.036 10.019 ( -0.635 0.000 7.007) 7.036 10.076 ( 4.325 0.000 -6.928) 8.167 10.076 ( 4.325 0.000 6.928) 8.167 10.421 ( 4.324 0.000 -8.524) 9.558 10.421 ( 4.324 0.000 8.524) 9.558 10.539 ( -15.290 0.000 -27.689) 31.630 10.539 ( -15.290 0.000 27.689) 31.630 11.217 ( 1.355 0.000 -5.608) 5.769 11.217 ( 1.355 0.000 5.608) 5.769 11.488 ( -0.474 0.000 -9.769) 9.781 11.488 ( -0.474 0.000 9.769) 9.781 11.858 ( 0.096 0.000 -8.491) 8.491 11.858 ( 0.096 0.000 8.491) 8.491 12.374 ( 3.891 0.000 -8.080) 8.968 12.374 ( 3.891 0.000 8.080) 8.968 12.500 ( -6.777 0.000 -8.496) 10.868 12.500 ( -6.777 0.000 8.496) 10.868 12.714 ( 8.571 0.000 -8.023) 11.740 12.714 ( 8.571 0.000 8.023) 11.740 12.801 ( -1.007 0.000 -4.149) 4.270 12.801 ( -1.007 0.000 4.149) 4.270 13.315 ( -13.215 0.000 -15.064) 20.039 13.315 ( -13.215 0.000 15.064) 20.039 13.424 ( 4.275 0.000 -6.401) 7.698 13.424 ( 4.275 0.000 6.401) 7.698 14.152 ( -5.115 0.000 -8.170) 9.639 14.152 ( -5.115 0.000 8.170) 9.639 15.418 ( 0.643 0.000 -7.769) 7.796 15.418 ( 0.643 0.000 7.769) 7.796 15.628 ( 6.840 0.000 -17.464) 18.756 15.628 ( 6.840 0.000 17.464) 18.756 15.837 ( -5.236 0.000 -9.480) 10.830 15.837 ( -5.236 0.000 9.480) 10.830 15.980 ( -3.106 0.000 -14.749) 15.072 15.980 ( -3.106 0.000 14.749) 15.072 16.841 ( 1.969 0.000 -2.127) 2.899 16.841 ( 1.969 0.000 2.127) 2.899 17.340 ( -0.211 0.000 -2.747) 2.755 17.340 ( -0.211 0.000 2.747) 2.755 17.635 ( -0.550 0.000 -1.125) 1.252 17.635 ( -0.550 0.000 1.125) 1.252 17.812 ( -0.110 0.000 -1.672) 1.676 17.812 ( -0.110 0.000 1.672) 1.676 18.002 ( 0.619 0.000 -0.366) 0.719 18.002 ( 0.619 0.000 0.366) 0.719 19.144 ( 4.653 0.000 -0.533) 4.683 19.144 ( 4.653 0.000 0.533) 4.683 19.800 ( 8.254 0.000 -6.091) 10.258 19.800 ( 8.254 0.000 6.091) 10.258 20.447 ( -0.685 0.000 -8.399) 8.427 20.447 ( -0.685 0.000 8.399) 8.427 20.677 ( -13.388 0.000 -4.886) 14.252 20.677 ( -13.388 0.000 4.886) 14.252 22.128 ( 0.130 0.000 -6.482) 6.484 22.128 ( 0.130 0.000 6.482) 6.484 23.863 ( 6.172 0.000 -21.764) 22.623 23.863 ( 6.172 0.000 21.764) 22.623 24.570 ( -6.693 0.000 -16.315) 17.634 24.570 ( -6.693 0.000 16.315) 17.634 25.702 ( 5.677 0.000 -12.779) 13.983 25.702 ( 5.677 0.000 12.779) 13.983 25.975 ( -5.979 0.000 -15.573) 16.681 25.975 ( -5.979 0.000 15.573) 16.681 26.324 ( 11.024 0.000 -1.535) 11.130 26.324 ( 11.024 0.000 1.535) 11.130 27.154 ( -6.876 0.000 -5.929) 9.080 27.154 ( -6.876 0.000 5.929) 9.080 27.643 ( 1.503 0.000 -6.125) 6.307 27.643 ( 1.503 0.000 6.125) 6.307 27.698 ( 1.157 0.000 -4.493) 4.640 27.698 ( 1.157 0.000 4.493) 4.640 27.764 ( 9.571 0.000 -2.211) 9.823 27.764 ( 9.571 0.000 2.211) 9.823 28.094 ( -4.215 0.000 -7.994) 9.038 28.094 ( -4.215 0.000 7.994) 9.038 28.746 ( 6.258 0.000 -12.957) 14.389 28.746 ( 6.258 0.000 12.957) 14.389 28.968 ( 1.415 0.000 -6.264) 6.421 28.968 ( 1.415 0.000 6.264) 6.421 28.974 ( 0.046 0.000 -1.205) 1.206 28.974 ( 0.046 0.000 1.205) 1.206 29.182 ( 2.304 0.000 -0.322) 2.327 29.182 ( 2.304 0.000 0.322) 2.327 29.286 ( -0.068 0.000 -2.853) 2.854 29.286 ( -0.068 0.000 2.853) 2.854 29.761 ( -10.296 0.000 -3.965) 11.033 29.761 ( -10.296 0.000 3.965) 11.033 29.966 ( -1.825 0.000 -0.891) 2.030 29.966 ( -1.825 0.000 0.891) 2.030 30.218 ( -0.546 0.000 -0.768) 0.942 30.218 ( -0.546 0.000 0.768) 0.942 31.441 ( -1.403 0.000 -6.728) 6.873 31.441 ( -1.403 0.000 6.728) 6.873 31.976 ( 4.562 0.000 -14.950) 15.631 31.976 ( 4.562 0.000 14.950) 15.631 32.560 ( -9.114 0.000 -4.888) 10.342 32.560 ( -9.114 0.000 4.888) 10.342 32.676 ( -4.900 0.000 -8.696) 9.982 32.676 ( -4.900 0.000 8.696) 9.982 33.327 ( 6.353 0.000 -3.955) 7.484 33.327 ( 6.353 0.000 3.955) 7.484 33.548 ( 3.485 0.000 -2.544) 4.314 33.548 ( 3.485 0.000 2.544) 4.314 33.694 ( -6.777 0.000 -4.821) 8.317 33.694 ( -6.777 0.000 4.821) 8.317 34.819 ( 3.739 0.000 -6.718) 7.688 34.819 ( 3.739 0.000 6.718) 7.688 ======================= Grid point 153 (52/64) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -0.000 0.000 -0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.757 ( -0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.784 ( -0.000 0.000 -0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.193 ( -0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 -0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.128 ( -0.000 0.000 -0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.278 ( -0.000 0.000 0.000) 0.000 4.278 ( -0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 -0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 -0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.494 ( -0.000 0.000 -0.000) 0.000 5.494 ( -0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 -0.000) 0.000 5.865 ( 0.000 0.000 -0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 -0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.430 ( -0.000 0.000 -0.000) 0.000 8.430 ( -0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 -0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 -0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.288 ( -0.000 0.000 -0.000) 0.000 10.288 ( -0.000 0.000 0.000) 0.000 10.463 ( 0.000 0.000 0.000) 0.000 10.463 ( 0.000 0.000 0.000) 0.000 11.234 ( 0.000 0.000 -0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 -0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.873 ( 0.000 0.000 0.000) 0.000 11.873 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 12.913 ( 0.000 0.000 -0.000) 0.000 12.913 ( 0.000 0.000 0.000) 0.000 13.088 ( -0.000 0.000 -0.000) 0.000 13.088 ( -0.000 0.000 0.000) 0.000 13.471 ( 0.000 0.000 0.000) 0.000 13.471 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 15.424 ( 0.000 0.000 -0.000) 0.000 15.424 ( 0.000 0.000 0.000) 0.000 15.715 ( 0.000 0.000 -0.000) 0.000 15.715 ( 0.000 0.000 0.000) 0.000 15.778 ( 0.000 0.000 0.000) 0.000 15.778 ( 0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 15.934 ( 0.000 0.000 0.000) 0.000 16.863 ( 0.000 0.000 0.000) 0.000 16.863 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 0.000) 0.000 17.629 ( 0.000 0.000 -0.000) 0.000 17.629 ( 0.000 0.000 0.000) 0.000 17.811 ( 0.000 0.000 0.000) 0.000 17.811 ( 0.000 0.000 0.000) 0.000 18.008 ( 0.000 0.000 0.000) 0.000 18.008 ( 0.000 0.000 0.000) 0.000 19.189 ( 0.000 0.000 0.000) 0.000 19.189 ( 0.000 0.000 0.000) 0.000 19.915 ( 0.000 0.000 0.000) 0.000 19.915 ( 0.000 0.000 0.000) 0.000 20.441 ( 0.000 0.000 0.000) 0.000 20.441 ( 0.000 0.000 0.000) 0.000 20.505 ( -0.000 0.000 -0.000) 0.000 20.505 ( 0.000 0.000 0.000) 0.000 22.130 ( 0.000 0.000 0.000) 0.000 22.130 ( 0.000 0.000 0.000) 0.000 23.939 ( 0.000 0.000 -0.000) 0.000 23.939 ( 0.000 0.000 0.000) 0.000 24.488 ( 0.000 0.000 -0.000) 0.000 24.488 ( 0.000 0.000 0.000) 0.000 25.804 ( -0.000 0.000 0.000) 0.000 25.804 ( 0.000 0.000 0.000) 0.000 25.870 ( 0.000 0.000 -0.000) 0.000 25.870 ( -0.000 0.000 -0.000) 0.000 26.462 ( 0.000 0.000 0.000) 0.000 26.462 ( 0.000 0.000 0.000) 0.000 27.063 ( 0.000 0.000 -0.000) 0.000 27.063 ( 0.000 0.000 0.000) 0.000 27.659 ( 0.000 0.000 -0.000) 0.000 27.659 ( 0.000 0.000 0.000) 0.000 27.711 ( 0.000 0.000 -0.000) 0.000 27.711 ( 0.000 0.000 0.000) 0.000 27.903 ( 0.000 0.000 -0.000) 0.000 27.903 ( 0.000 0.000 0.000) 0.000 28.023 ( 0.000 0.000 0.000) 0.000 28.023 ( 0.000 0.000 0.000) 0.000 28.837 ( 0.000 0.000 -0.000) 0.000 28.837 ( 0.000 0.000 0.000) 0.000 28.940 ( 0.000 0.000 -0.000) 0.000 28.940 ( 0.000 0.000 0.000) 0.000 28.975 ( 0.000 0.000 0.000) 0.000 28.975 ( 0.000 0.000 0.000) 0.000 29.208 ( 0.000 0.000 0.000) 0.000 29.208 ( 0.000 0.000 0.000) 0.000 29.312 ( -0.000 0.000 0.000) 0.000 29.312 ( 0.000 0.000 0.000) 0.000 29.639 ( 0.000 0.000 0.000) 0.000 29.639 ( 0.000 0.000 0.000) 0.000 29.945 ( 0.000 0.000 0.000) 0.000 29.945 ( 0.000 0.000 0.000) 0.000 30.212 ( 0.000 0.000 -0.000) 0.000 30.212 ( 0.000 0.000 0.000) 0.000 31.426 ( 0.000 0.000 0.000) 0.000 31.426 ( 0.000 0.000 0.000) 0.000 32.032 ( 0.000 0.000 -0.000) 0.000 32.032 ( 0.000 0.000 0.000) 0.000 32.464 ( 0.000 0.000 0.000) 0.000 32.464 ( 0.000 0.000 0.000) 0.000 32.617 ( 0.000 0.000 0.000) 0.000 32.617 ( 0.000 0.000 0.000) 0.000 33.426 ( -0.000 0.000 -0.000) 0.000 33.426 ( 0.000 0.000 0.000) 0.000 33.585 ( 0.000 0.000 0.000) 0.000 33.585 ( 0.000 0.000 0.000) 0.000 33.589 ( 0.000 0.000 0.000) 0.000 33.589 ( 0.000 0.000 0.000) 0.000 34.855 ( 0.000 0.000 0.000) 0.000 34.855 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 161 (53/64) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 0.000 9.667 -13.163) 16.332 2.390 ( 0.000 9.667 13.163) 16.332 2.588 ( 0.000 13.464 -12.454) 18.341 2.588 ( 0.000 13.464 12.454) 18.341 2.787 ( 0.000 -1.154 -2.886) 3.108 2.787 ( 0.000 -1.154 2.886) 3.108 3.160 ( 0.000 6.754 -9.979) 12.049 3.160 ( 0.000 6.754 9.979) 12.049 3.445 ( 0.000 -8.919 -0.257) 8.923 3.445 ( 0.000 -8.919 0.257) 8.923 3.548 ( 0.000 -1.380 -0.691) 1.543 3.548 ( 0.000 -1.380 0.691) 1.543 3.770 ( 0.000 -2.306 -13.466) 13.662 3.770 ( 0.000 -2.306 13.466) 13.662 3.967 ( 0.000 -1.339 -3.554) 3.797 3.967 ( 0.000 -1.339 3.554) 3.797 4.171 ( 0.000 6.719 -20.093) 21.186 4.171 ( 0.000 6.719 20.093) 21.186 4.737 ( 0.000 11.749 -6.503) 13.428 4.737 ( 0.000 11.749 6.503) 13.428 4.814 ( 0.000 -0.940 -0.740) 1.196 4.814 ( 0.000 -0.940 0.740) 1.196 5.170 ( 0.000 10.143 -5.167) 11.383 5.170 ( 0.000 10.143 5.167) 11.383 5.515 ( 0.000 -4.058 -10.284) 11.056 5.515 ( 0.000 -4.058 10.284) 11.056 5.873 ( 0.000 -14.983 -6.083) 16.171 5.873 ( 0.000 -14.983 6.083) 16.171 6.033 ( 0.000 -3.247 -19.143) 19.416 6.033 ( 0.000 -3.247 19.143) 19.416 6.368 ( 0.000 5.208 -0.139) 5.210 6.368 ( 0.000 5.208 0.139) 5.210 6.695 ( 0.000 -14.455 -15.379) 21.106 6.695 ( 0.000 -14.455 15.379) 21.106 7.229 ( 0.000 -1.343 -12.930) 12.999 7.229 ( 0.000 -1.343 12.930) 12.999 7.380 ( 0.000 -3.674 -6.316) 7.307 7.380 ( 0.000 -3.674 6.316) 7.307 7.859 ( 0.000 -0.752 -3.551) 3.630 7.859 ( 0.000 -0.752 3.551) 3.630 8.161 ( 0.000 2.318 -5.521) 5.988 8.161 ( 0.000 2.318 5.521) 5.988 8.362 ( 0.000 -6.914 -5.079) 8.580 8.362 ( 0.000 -6.914 5.079) 8.580 8.907 ( 0.000 16.086 -7.913) 17.927 8.907 ( 0.000 16.086 7.913) 17.927 8.985 ( 0.000 -1.213 -23.463) 23.494 8.985 ( 0.000 -1.213 23.463) 23.494 9.593 ( 0.000 -20.637 -6.380) 21.601 9.593 ( 0.000 -20.637 6.380) 21.601 10.219 ( 0.000 4.459 -0.797) 4.530 10.219 ( 0.000 4.459 0.797) 4.530 10.362 ( 0.000 3.900 -1.198) 4.080 10.362 ( 0.000 3.900 1.198) 4.080 11.047 ( 0.000 6.199 -7.470) 9.707 11.047 ( 0.000 6.199 7.470) 9.707 11.261 ( 0.000 -1.258 -1.518) 1.972 11.261 ( 0.000 -1.258 1.518) 1.972 11.516 ( 0.000 3.876 -2.557) 4.644 11.516 ( 0.000 3.876 2.557) 4.644 11.655 ( 0.000 -8.322 -4.860) 9.637 11.655 ( 0.000 -8.322 4.860) 9.637 12.244 ( 0.000 5.687 -6.910) 8.949 12.244 ( 0.000 5.687 6.910) 8.949 12.470 ( 0.000 -7.789 -5.059) 9.288 12.470 ( 0.000 -7.789 5.059) 9.288 12.824 ( 0.000 -5.341 -10.775) 12.026 12.824 ( 0.000 -5.341 10.775) 12.026 13.098 ( 0.000 15.320 -3.849) 15.796 13.098 ( 0.000 15.320 3.849) 15.796 13.204 ( 0.000 3.616 -2.114) 4.188 13.204 ( 0.000 3.616 2.114) 4.188 13.817 ( 0.000 10.097 -12.163) 15.808 13.817 ( 0.000 10.097 12.163) 15.808 14.373 ( 0.000 4.760 -7.551) 8.926 14.373 ( 0.000 4.760 7.551) 8.926 15.303 ( 0.000 -5.066 -9.122) 10.435 15.303 ( 0.000 -5.066 9.122) 10.435 15.475 ( 0.000 3.752 -16.491) 16.912 15.475 ( 0.000 3.752 16.491) 16.912 15.927 ( 0.000 -8.603 -10.307) 13.425 15.927 ( 0.000 -8.603 10.307) 13.425 16.037 ( 0.000 -1.159 -9.029) 9.103 16.037 ( 0.000 -1.159 9.029) 9.103 16.764 ( 0.000 0.428 -2.120) 2.162 16.764 ( 0.000 0.428 2.120) 2.162 17.355 ( 0.000 -2.328 -2.182) 3.190 17.355 ( 0.000 -2.328 2.182) 3.190 17.529 ( 0.000 -8.630 -1.333) 8.732 17.529 ( 0.000 -8.630 1.333) 8.732 17.810 ( 0.000 -2.191 -1.307) 2.551 17.810 ( 0.000 -2.191 1.307) 2.551 17.896 ( 0.000 -3.901 -0.751) 3.973 17.896 ( 0.000 -3.901 0.751) 3.973 18.779 ( 0.000 -11.658 -0.542) 11.671 18.779 ( 0.000 -11.658 0.542) 11.671 19.684 ( 0.000 7.449 -10.684) 13.025 19.684 ( 0.000 7.449 10.684) 13.025 20.650 ( 0.000 14.926 -11.733) 18.985 20.650 ( 0.000 14.926 11.733) 18.985 21.183 ( 0.000 8.503 -0.026) 8.503 21.183 ( 0.000 8.503 0.026) 8.503 21.985 ( 0.000 -10.816 -11.573) 15.841 21.985 ( 0.000 -10.816 11.573) 15.841 23.937 ( 0.000 21.288 -27.293) 34.614 23.937 ( 0.000 21.288 27.293) 34.614 24.703 ( 0.000 -6.092 -20.159) 21.060 24.703 ( 0.000 -6.092 20.159) 21.060 25.548 ( 0.000 -1.561 -9.042) 9.175 25.548 ( 0.000 -1.561 9.042) 9.175 25.977 ( 0.000 -8.877 -13.974) 16.555 25.977 ( 0.000 -8.877 13.974) 16.555 26.174 ( 0.000 11.112 -2.808) 11.462 26.174 ( 0.000 11.112 2.808) 11.462 27.348 ( 0.000 -1.145 -2.201) 2.482 27.348 ( 0.000 -1.145 2.201) 2.482 27.424 ( 0.000 -4.026 -1.429) 4.273 27.424 ( 0.000 -4.026 1.429) 4.273 27.632 ( 0.000 3.894 -9.824) 10.568 27.632 ( 0.000 3.894 9.824) 10.568 27.748 ( 0.000 6.513 -4.325) 7.818 27.748 ( 0.000 6.513 4.325) 7.818 28.288 ( 0.000 -1.260 -8.135) 8.232 28.288 ( 0.000 -1.260 8.135) 8.232 28.362 ( 0.000 -5.780 -11.033) 12.455 28.362 ( 0.000 -5.780 11.033) 12.455 28.811 ( 0.000 -5.139 -6.426) 8.228 28.811 ( 0.000 -5.139 6.426) 8.228 28.922 ( 0.000 -4.296 -1.387) 4.515 28.922 ( 0.000 -4.296 1.387) 4.515 29.108 ( 0.000 1.173 -1.007) 1.547 29.108 ( 0.000 1.173 1.007) 1.547 29.334 ( 0.000 -1.313 -0.449) 1.387 29.334 ( 0.000 -1.313 0.449) 1.387 29.860 ( 0.000 -12.818 -6.939) 14.576 29.860 ( 0.000 -12.818 6.939) 14.576 29.991 ( 0.000 -7.832 -2.049) 8.096 29.991 ( 0.000 -7.832 2.049) 8.096 30.237 ( 0.000 -3.894 -1.187) 4.071 30.237 ( 0.000 -3.894 1.187) 4.071 31.530 ( 0.000 5.289 -5.572) 7.682 31.530 ( 0.000 5.289 5.572) 7.682 31.951 ( 0.000 8.744 -21.400) 23.117 31.951 ( 0.000 8.744 21.400) 23.117 32.793 ( 0.000 -1.734 -3.738) 4.120 32.793 ( 0.000 -1.734 3.738) 4.120 32.858 ( 0.000 -8.154 -2.091) 8.417 32.858 ( 0.000 -8.154 2.091) 8.417 33.277 ( 0.000 2.344 -0.018) 2.344 33.277 ( 0.000 2.344 0.018) 2.344 33.461 ( 0.000 9.824 -3.504) 10.430 33.461 ( 0.000 9.824 3.504) 10.430 33.854 ( 0.000 -0.749 -9.618) 9.647 33.854 ( 0.000 -0.749 9.618) 9.647 34.701 ( 0.000 7.238 -9.290) 11.777 34.701 ( 0.000 7.238 9.290) 11.777 ======================= Grid point 163 (54/64) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 4.339 6.434 -24.487) 25.687 2.471 ( 4.339 6.434 24.487) 25.687 2.581 ( 3.628 8.254 -19.915) 21.861 2.581 ( 3.628 8.254 19.915) 21.861 2.863 ( 3.848 5.592 -3.194) 7.502 2.863 ( 3.848 5.592 3.194) 7.502 3.128 ( -2.160 0.580 -6.738) 7.099 3.128 ( -2.160 0.580 6.738) 7.099 3.396 ( -3.937 -5.902 -3.239) 7.799 3.396 ( -3.937 -5.902 3.239) 7.799 3.591 ( 3.898 -2.051 -3.165) 5.424 3.591 ( 3.898 -2.051 3.165) 5.424 3.840 ( 4.667 -2.865 -10.259) 11.629 3.840 ( 4.667 -2.865 10.259) 11.629 3.936 ( 0.375 2.645 -3.204) 4.172 3.936 ( 0.375 2.645 3.204) 4.172 4.235 ( 3.872 3.722 -17.572) 18.375 4.235 ( 3.872 3.722 17.572) 18.375 4.756 ( -1.192 0.278 -1.450) 1.897 4.756 ( -1.192 0.278 1.450) 1.897 4.819 ( 5.011 9.755 -9.149) 14.282 4.819 ( 5.011 9.755 9.149) 14.282 5.183 ( -3.784 5.596 -5.611) 8.781 5.183 ( -3.784 5.596 5.611) 8.781 5.397 ( -5.012 2.176 -9.849) 11.264 5.397 ( -5.012 2.176 9.849) 11.264 5.893 ( 0.615 -10.867 -3.239) 11.356 5.893 ( 0.615 -10.867 3.239) 11.356 5.980 ( -3.159 -5.351 -16.808) 17.919 5.980 ( -3.159 -5.351 16.808) 17.919 6.399 ( 1.853 3.384 -3.439) 5.168 6.399 ( 1.853 3.384 3.439) 5.168 6.773 ( 3.795 -6.527 -18.969) 20.417 6.773 ( 3.795 -6.527 18.969) 20.417 7.212 ( -2.713 0.645 -6.949) 7.488 7.212 ( -2.713 0.645 6.949) 7.488 7.393 ( 4.162 -8.170 -7.112) 11.604 7.393 ( 4.162 -8.170 7.112) 11.604 7.886 ( 2.320 -1.243 -10.870) 11.184 7.886 ( 2.320 -1.243 10.870) 11.184 8.120 ( -2.401 -2.650 -8.602) 9.315 8.120 ( -2.401 -2.650 8.602) 9.315 8.353 ( -1.270 -7.096 -4.519) 8.508 8.353 ( -1.270 -7.096 4.519) 8.508 8.831 ( -4.795 8.813 -9.199) 13.612 8.831 ( -4.795 8.813 9.199) 13.612 9.061 ( 2.747 1.054 -6.088) 6.761 9.061 ( 2.747 1.054 6.088) 6.761 9.634 ( 5.267 -14.300 -7.347) 16.917 9.634 ( 5.267 -14.300 7.347) 16.917 10.219 ( 0.098 4.939 -2.089) 5.364 10.219 ( 0.098 4.939 2.089) 5.364 10.397 ( 2.894 2.475 -6.485) 7.521 10.397 ( 2.894 2.475 6.485) 7.521 10.904 ( -12.092 5.259 -16.623) 21.218 10.904 ( -12.092 5.259 16.623) 21.218 11.284 ( 1.504 2.734 -4.388) 5.384 11.284 ( 1.505 2.734 4.388) 5.385 11.473 ( -2.920 -1.263 -4.643) 5.628 11.473 ( -2.920 -1.263 4.643) 5.628 11.727 ( 6.023 -3.754 -2.806) 7.631 11.727 ( 6.023 -3.754 2.806) 7.631 12.359 ( 7.221 4.801 -6.382) 10.767 12.359 ( 7.221 4.801 6.382) 10.767 12.427 ( -1.832 -8.465 -2.268) 8.953 12.427 ( -1.832 -8.465 2.268) 8.953 12.789 ( -2.344 -2.100 -7.682) 8.301 12.789 ( -2.344 -2.100 7.682) 8.301 13.009 ( -7.601 15.737 -8.392) 19.387 13.009 ( -7.601 15.737 8.392) 19.387 13.235 ( 2.782 1.224 -4.700) 5.597 13.235 ( 2.782 1.224 4.700) 5.597 13.775 ( -4.427 12.444 -10.944) 17.153 13.775 ( -4.427 12.444 10.944) 17.153 14.280 ( -7.650 2.846 -9.397) 12.447 14.280 ( -7.650 2.846 9.397) 12.447 15.318 ( 0.994 -5.985 -9.866) 11.582 15.318 ( 0.994 -5.985 9.866) 11.582 15.541 ( 5.756 3.474 -17.457) 18.707 15.541 ( 5.756 3.474 17.457) 18.707 15.862 ( -5.117 -7.976 -11.099) 14.594 15.862 ( -5.117 -7.976 11.099) 14.594 16.026 ( -1.452 -0.823 -10.643) 10.773 16.026 ( -1.452 -0.823 10.643) 10.773 16.792 ( 2.511 0.651 -2.212) 3.409 16.792 ( 2.511 0.651 2.212) 3.409 17.379 ( 1.900 -0.074 -2.548) 3.179 17.379 ( 1.900 -0.074 2.548) 3.179 17.526 ( -0.297 -8.271 -1.108) 8.350 17.526 ( -0.297 -8.271 1.108) 8.350 17.806 ( -0.489 -1.879 -2.549) 3.204 17.806 ( -0.489 -1.879 2.549) 3.204 17.897 ( 0.077 -5.551 -1.153) 5.670 17.897 ( 0.077 -5.551 1.153) 5.670 18.831 ( 4.095 -14.376 -0.996) 14.981 18.831 ( 4.095 -14.376 0.996) 14.981 19.747 ( 5.938 7.664 -10.200) 14.072 19.747 ( 5.938 7.664 10.200) 14.072 20.645 ( -0.385 15.290 -9.393) 17.948 20.645 ( -0.385 15.290 9.393) 17.948 21.080 ( -9.378 9.954 -3.374) 14.086 21.080 ( -9.378 9.954 3.374) 14.086 21.982 ( -0.240 -11.174 -9.472) 14.651 21.982 ( -0.240 -11.174 9.472) 14.651 23.972 ( 3.271 19.578 -25.595) 32.390 23.972 ( 3.271 19.578 25.595) 32.390 24.674 ( -2.873 -3.409 -18.661) 19.186 24.674 ( -2.873 -3.409 18.661) 19.186 25.569 ( 2.089 -2.607 -10.037) 10.578 25.569 ( 2.089 -2.607 10.037) 10.578 25.954 ( -2.602 -9.912 -15.641) 18.699 25.954 ( -2.602 -9.912 15.641) 18.699 26.248 ( 7.235 11.353 -1.217) 13.518 26.248 ( 7.235 11.353 1.217) 13.518 27.299 ( -4.187 0.764 -5.630) 7.058 27.299 ( -4.187 0.764 5.630) 7.058 27.487 ( 5.348 -5.270 -5.784) 9.477 27.487 ( 5.348 -5.270 5.784) 9.477 27.661 ( 2.508 3.591 -9.124) 10.121 27.661 ( 2.508 3.591 9.124) 10.121 27.760 ( 1.205 6.262 -5.865) 8.664 27.760 ( 1.205 6.262 5.865) 8.664 28.170 ( -5.376 -1.904 -6.095) 8.348 28.170 ( -5.376 -1.904 6.095) 8.348 28.513 ( 7.687 -6.628 -9.680) 14.026 28.513 ( 7.687 -6.628 9.680) 14.026 28.816 ( 0.295 -8.078 -4.580) 9.291 28.816 ( 0.295 -8.078 4.580) 9.291 28.956 ( 3.335 -1.232 -2.028) 4.093 28.956 ( 3.335 -1.232 2.028) 4.093 29.112 ( 0.271 -0.342 -0.515) 0.675 29.112 ( 0.271 -0.342 0.515) 0.675 29.320 ( -0.913 -0.275 -0.892) 1.306 29.320 ( -0.913 -0.275 0.892) 1.306 29.790 ( -6.374 -12.249 -5.393) 14.824 29.790 ( -6.374 -12.249 5.393) 14.824 29.983 ( -0.746 -4.750 -1.834) 5.146 29.983 ( -0.746 -4.750 1.834) 5.146 30.228 ( -0.856 -3.471 -1.356) 3.823 30.228 ( -0.856 -3.471 1.356) 3.823 31.509 ( -1.815 5.420 -5.758) 8.113 31.509 ( -1.815 5.420 5.758) 8.113 31.981 ( 2.848 8.075 -19.706) 21.486 31.981 ( 2.848 8.075 19.706) 21.486 32.701 ( -6.845 -2.593 -6.574) 9.838 32.701 ( -6.845 -2.593 6.574) 9.838 32.871 ( -2.709 0.330 -8.332) 8.768 32.871 ( -2.709 0.330 8.332) 8.768 33.152 ( -4.111 -2.444 -3.182) 5.744 33.152 ( -4.111 -2.444 3.182) 5.744 33.509 ( 0.778 0.938 -5.927) 6.051 33.509 ( 0.778 0.938 5.927) 6.051 33.894 ( 2.642 7.500 -8.083) 11.339 33.894 ( 2.642 7.500 8.083) 11.339 34.743 ( 3.377 3.562 -9.820) 10.979 34.743 ( 3.377 3.562 9.820) 10.979 ======================= Grid point 165 (55/64) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 2.852 -1.645 -13.956) 14.339 2.517 ( 2.852 -1.645 13.956) 14.339 2.742 ( 7.112 5.115 -7.631) 11.617 2.742 ( 7.112 5.115 7.631) 11.617 2.835 ( -5.560 3.621 -5.884) 8.868 2.835 ( -5.560 3.621 5.884) 8.868 3.122 ( 1.417 -0.118 -4.173) 4.409 3.122 ( 1.417 -0.118 4.173) 4.409 3.306 ( -4.270 -1.812 -7.258) 8.614 3.306 ( -4.270 -1.812 7.258) 8.614 3.682 ( 2.852 -7.842 -2.846) 8.816 3.682 ( 2.852 -7.842 2.846) 8.816 3.888 ( 4.895 3.596 -9.419) 11.208 3.888 ( 4.895 3.596 9.419) 11.208 4.098 ( 11.356 1.868 -6.922) 13.430 4.098 ( 11.356 1.868 6.922) 13.430 4.257 ( -1.712 4.035 -13.524) 14.217 4.257 ( -1.712 4.035 13.524) 14.217 4.734 ( -3.846 0.711 -5.390) 6.659 4.734 ( -3.846 0.711 5.390) 6.659 4.878 ( -5.208 11.586 -1.083) 12.749 4.878 ( -5.208 11.586 1.083) 12.749 5.049 ( 2.627 -4.037 -7.836) 9.198 5.049 ( 2.627 -4.037 7.836) 9.198 5.466 ( 8.509 6.805 -9.033) 14.153 5.466 ( 8.509 6.805 9.033) 14.153 5.874 ( -2.326 -3.201 -11.065) 11.751 5.874 ( -2.326 -3.201 11.065) 11.751 5.914 ( -4.061 -4.528 -7.429) 9.602 5.914 ( -4.061 -4.528 7.429) 9.602 6.407 ( -2.214 1.373 -5.902) 6.451 6.407 ( -2.214 1.373 5.902) 6.451 6.737 ( -4.407 5.873 -14.635) 16.374 6.737 ( -4.407 5.873 14.635) 16.374 7.200 ( 1.197 -0.333 -9.657) 9.737 7.200 ( 1.197 -0.333 9.657) 9.737 7.552 ( 10.219 -5.257 -0.670) 11.512 7.552 ( 10.219 -5.257 0.670) 11.512 7.920 ( 0.207 -9.563 -3.958) 10.352 7.920 ( 0.207 -9.563 3.958) 10.352 8.088 ( -1.373 -4.674 -4.384) 6.553 8.088 ( -1.373 -4.674 4.384) 6.553 8.310 ( -2.720 -10.569 -2.310) 11.155 8.310 ( -2.720 -10.569 2.310) 11.155 8.768 ( -0.063 -2.102 -13.926) 14.084 8.768 ( -0.063 -2.102 13.926) 14.084 9.027 ( -5.179 -0.440 -14.359) 15.271 9.027 ( -5.179 -0.440 14.359) 15.271 9.819 ( 11.495 -2.463 -16.853) 20.548 9.819 ( 11.495 -2.463 16.853) 20.548 10.218 ( -1.001 5.379 -1.634) 5.710 10.218 ( -1.001 5.379 1.634) 5.710 10.443 ( 0.545 1.043 -2.310) 2.593 10.443 ( 0.545 1.043 2.310) 2.593 10.643 ( -10.781 6.322 -15.526) 19.931 10.643 ( -10.781 6.322 15.526) 19.931 11.315 ( 1.637 5.103 -4.475) 6.982 11.315 ( 1.637 5.103 4.475) 6.982 11.425 ( -1.637 -4.622 -5.935) 7.699 11.425 ( -1.637 -4.622 5.935) 7.699 11.871 ( 7.728 1.636 -3.625) 8.692 11.871 ( 7.728 1.636 3.625) 8.692 12.260 ( -8.741 -6.459 -6.188) 12.507 12.260 ( -8.741 -6.459 6.188) 12.507 12.586 ( 7.244 -4.567 -7.620) 11.463 12.586 ( 7.244 -4.567 7.620) 11.463 12.793 ( 2.023 12.914 -5.735) 14.274 12.793 ( 2.023 12.914 5.735) 14.274 12.856 ( -3.642 5.222 -6.504) 9.101 12.856 ( -3.642 5.222 6.504) 9.101 13.279 ( -0.225 4.172 -9.521) 10.397 13.279 ( -0.225 4.172 9.521) 10.397 13.657 ( -5.339 14.075 -6.293) 16.316 13.657 ( -5.339 14.075 6.293) 16.316 14.122 ( -6.802 -1.147 -8.392) 10.863 14.122 ( -6.802 -1.147 8.392) 10.863 15.328 ( 0.056 -7.342 -7.328) 10.373 15.328 ( 0.056 -7.342 7.328) 10.373 15.674 ( 6.326 1.833 -15.044) 16.423 15.674 ( 6.326 1.833 15.044) 16.423 15.764 ( -3.555 -5.164 -9.160) 11.100 15.764 ( -3.555 -5.164 9.160) 11.100 15.973 ( -3.505 -0.611 -12.481) 12.978 15.973 ( -3.505 -0.611 12.481) 12.978 16.849 ( 2.517 1.457 -1.469) 3.258 16.849 ( 2.517 1.457 1.469) 3.258 17.415 ( 1.343 4.581 -2.357) 5.324 17.415 ( 1.343 4.581 2.357) 5.324 17.517 ( -0.510 -8.829 -1.055) 8.906 17.517 ( -0.510 -8.829 1.055) 8.906 17.792 ( -0.689 -2.273 -2.804) 3.675 17.792 ( -0.689 -2.273 2.804) 3.675 17.899 ( 0.114 -7.678 -1.132) 7.762 17.899 ( 0.114 -7.678 1.132) 7.762 18.903 ( 2.488 -18.057 -1.519) 18.290 18.903 ( 2.488 -18.057 1.519) 18.290 19.903 ( 8.335 7.736 -7.700) 13.734 19.903 ( 8.335 7.736 7.700) 13.734 20.636 ( -0.640 14.078 -2.702) 14.349 20.636 ( -0.640 14.078 2.702) 14.349 20.852 ( -11.189 14.607 -3.276) 18.689 20.852 ( -11.189 14.607 3.276) 18.689 21.978 ( -0.158 -11.899 -5.024) 12.917 21.978 ( -0.158 -11.899 5.024) 12.917 24.056 ( 4.352 16.112 -18.623) 25.007 24.056 ( 4.352 16.112 18.623) 25.007 24.596 ( -4.178 1.797 -13.892) 14.618 24.596 ( -4.178 1.797 13.892) 14.618 25.634 ( 4.222 -5.283 -11.824) 13.621 25.634 ( 4.222 -5.283 11.824) 13.621 25.872 ( -5.056 -9.046 -15.423) 18.581 25.872 ( -5.056 -9.046 15.423) 18.581 26.439 ( 10.084 9.884 -1.681) 14.220 26.439 ( 10.084 9.884 1.681) 14.220 27.189 ( -6.160 2.982 -5.363) 8.695 27.189 ( -6.160 2.982 5.363) 8.695 27.602 ( 4.674 -4.256 -2.845) 6.932 27.602 ( 4.674 -4.256 2.845) 6.932 27.708 ( 1.322 1.873 -6.508) 6.900 27.708 ( 1.322 1.873 6.508) 6.900 27.817 ( 5.101 4.263 -4.305) 7.919 27.817 ( 5.101 4.263 4.305) 7.919 28.085 ( -3.559 -0.736 -7.278) 8.135 28.085 ( -3.559 -0.736 7.278) 8.135 28.633 ( 4.576 -9.565 -11.044) 15.310 28.633 ( 4.576 -9.565 11.044) 15.310 28.804 ( -1.863 -12.340 -3.772) 13.038 28.804 ( -1.863 -12.340 3.772) 13.038 29.010 ( 0.337 1.715 -2.270) 2.865 29.010 ( 0.337 1.715 2.270) 2.865 29.148 ( 4.080 -2.328 -2.271) 5.218 29.148 ( 4.080 -2.328 2.271) 5.218 29.318 ( 0.960 1.848 -2.174) 3.010 29.318 ( 0.960 1.848 2.174) 3.010 29.639 ( -7.346 -9.008 -3.411) 12.114 29.639 ( -7.346 -9.008 3.411) 12.114 29.965 ( -0.864 -1.007 -1.450) 1.966 29.965 ( -0.864 -1.007 1.450) 1.966 30.207 ( -0.978 -3.109 -1.245) 3.489 30.207 ( -0.978 -3.109 1.245) 3.489 31.473 ( -1.366 5.622 -4.062) 7.069 31.473 ( -1.366 5.622 4.062) 7.069 32.055 ( 3.802 6.604 -13.476) 15.482 32.055 ( 3.802 6.604 13.476) 15.482 32.551 ( -6.739 0.215 -4.127) 7.905 32.551 ( -6.739 0.215 4.127) 7.905 32.752 ( -6.206 5.158 -7.489) 11.009 32.752 ( -6.206 5.158 7.489) 11.009 33.195 ( 5.911 -9.484 -2.369) 11.423 33.195 ( 5.911 -9.484 2.369) 11.423 33.468 ( -4.484 -6.058 -4.742) 8.905 33.468 ( -4.484 -6.058 4.742) 8.905 33.934 ( 1.339 16.444 -4.608) 17.130 33.934 ( 1.339 16.444 4.608) 17.130 34.803 ( 1.971 -1.262 -7.019) 7.399 34.803 ( 1.971 -1.262 7.019) 7.399 ======================= Grid point 167 (56/64) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 0.000 -3.220 -0.000) 3.220 2.593 ( -0.000 -3.220 0.000) 3.220 2.687 ( 0.000 -5.084 -0.000) 5.084 2.687 ( 0.000 -5.084 0.000) 5.084 2.847 ( 0.000 3.541 0.000) 3.541 2.847 ( 0.000 3.541 0.000) 3.541 3.157 ( 0.000 4.332 -0.000) 4.332 3.157 ( 0.000 4.332 0.000) 4.332 3.245 ( 0.000 2.487 0.000) 2.487 3.245 ( -0.000 2.487 0.000) 2.487 3.697 ( 0.000 -11.034 0.000) 11.034 3.697 ( 0.000 -11.034 0.000) 11.034 4.017 ( 0.000 2.693 -0.000) 2.693 4.017 ( 0.000 2.693 0.000) 2.693 4.125 ( 0.000 0.960 0.000) 0.960 4.125 ( -0.000 0.960 0.000) 0.960 4.354 ( -0.000 4.122 0.000) 4.122 4.354 ( 0.000 4.122 0.000) 4.122 4.576 ( 0.000 11.493 0.000) 11.493 4.576 ( 0.000 11.493 0.000) 11.493 4.824 ( 0.000 3.807 0.000) 3.807 4.824 ( 0.000 3.807 0.000) 3.807 5.128 ( 0.000 -4.210 -0.000) 4.210 5.128 ( 0.000 -4.210 0.000) 4.210 5.661 ( -0.000 5.090 -0.000) 5.090 5.661 ( 0.000 5.090 0.000) 5.090 5.739 ( 0.000 -8.753 0.000) 8.753 5.739 ( 0.000 -8.753 0.000) 8.753 5.887 ( 0.000 4.869 -0.000) 4.869 5.887 ( 0.000 4.869 0.000) 4.869 6.355 ( 0.000 3.805 0.000) 3.805 6.355 ( 0.000 3.805 0.000) 3.805 6.698 ( 0.000 8.278 0.000) 8.278 6.698 ( 0.000 8.278 0.000) 8.278 7.213 ( 0.000 -1.988 0.000) 1.988 7.213 ( 0.000 -1.988 0.000) 1.988 7.707 ( 0.000 11.844 0.000) 11.844 7.707 ( 0.000 11.844 0.000) 11.844 7.892 ( 0.000 -27.445 0.000) 27.445 7.892 ( 0.000 -27.445 0.000) 27.445 8.069 ( 0.000 -2.076 0.000) 2.076 8.069 ( 0.000 -2.076 0.000) 2.076 8.271 ( 0.000 -13.215 0.000) 13.215 8.271 ( 0.000 -13.215 0.000) 13.215 8.807 ( 0.000 -22.256 0.000) 22.256 8.807 ( -0.000 -22.256 0.000) 22.256 8.934 ( 0.000 13.392 -0.000) 13.392 8.934 ( 0.000 13.392 0.000) 13.392 10.003 ( 0.000 3.394 -0.000) 3.394 10.003 ( 0.000 3.394 0.000) 3.394 10.155 ( 0.000 1.089 -0.000) 1.089 10.155 ( 0.000 1.089 0.000) 1.089 10.422 ( 0.000 7.549 -0.000) 7.549 10.422 ( -0.000 7.549 0.000) 7.549 10.550 ( 0.000 2.664 -0.000) 2.664 10.550 ( 0.000 2.664 0.000) 2.664 11.338 ( 0.000 5.964 0.000) 5.964 11.338 ( 0.000 5.964 0.000) 5.964 11.408 ( 0.000 -5.032 -0.000) 5.032 11.408 ( 0.000 -5.032 -0.000) 5.032 12.005 ( 0.000 9.281 0.000) 9.281 12.005 ( 0.000 9.281 0.000) 9.281 12.109 ( 0.000 -12.699 0.000) 12.699 12.109 ( -0.000 -12.699 0.000) 12.699 12.668 ( 0.000 -7.016 -0.000) 7.016 12.668 ( 0.000 -7.016 -0.000) 7.016 12.727 ( 0.000 11.808 0.000) 11.808 12.727 ( 0.000 11.808 0.000) 11.808 12.947 ( 0.000 5.175 -0.000) 5.175 12.947 ( 0.000 5.175 0.000) 5.175 13.227 ( 0.000 9.701 0.000) 9.701 13.227 ( 0.000 9.701 0.000) 9.701 13.612 ( 0.000 13.341 0.000) 13.341 13.612 ( 0.000 13.341 0.000) 13.341 14.042 ( 0.000 -3.938 0.000) 3.938 14.042 ( 0.000 -3.938 0.000) 3.938 15.328 ( 0.000 -7.961 -0.000) 7.961 15.328 ( 0.000 -7.961 0.000) 7.961 15.711 ( 0.000 -6.553 0.000) 6.553 15.711 ( 0.000 -6.553 0.000) 6.553 15.777 ( 0.000 4.860 -0.000) 4.860 15.777 ( 0.000 4.860 0.000) 4.860 15.916 ( 0.000 -1.427 -0.000) 1.427 15.916 ( 0.000 -1.427 0.000) 1.427 16.877 ( 0.000 2.015 0.000) 2.015 16.877 ( 0.000 2.015 0.000) 2.015 17.429 ( 0.000 7.700 0.000) 7.700 17.429 ( 0.000 7.700 0.000) 7.700 17.511 ( 0.000 -10.292 -0.000) 10.292 17.511 ( 0.000 -10.292 0.000) 10.292 17.784 ( 0.000 -2.852 0.000) 2.852 17.784 ( 0.000 -2.852 0.000) 2.852 17.900 ( 0.000 -8.376 0.000) 8.376 17.900 ( 0.000 -8.376 0.000) 8.376 18.928 ( 0.000 -19.270 0.000) 19.270 18.928 ( 0.000 -19.270 0.000) 19.270 20.012 ( 0.000 7.318 0.000) 7.318 20.012 ( 0.000 7.318 0.000) 7.318 20.617 ( 0.000 8.217 0.000) 8.217 20.617 ( 0.000 8.217 0.000) 8.217 20.723 ( 0.000 22.440 0.000) 22.440 20.723 ( 0.000 22.440 0.000) 22.440 21.976 ( 0.000 -12.269 0.000) 12.269 21.976 ( 0.000 -12.269 0.000) 12.269 24.110 ( 0.000 14.095 -0.000) 14.095 24.110 ( 0.000 14.095 0.000) 14.095 24.543 ( 0.000 4.557 -0.000) 4.557 24.543 ( 0.000 4.557 0.000) 4.557 25.710 ( 0.000 -7.720 0.000) 7.720 25.710 ( 0.000 -7.720 0.000) 7.720 25.787 ( 0.000 -7.357 -0.000) 7.357 25.787 ( -0.000 -7.357 -0.000) 7.357 26.568 ( 0.000 9.304 0.000) 9.304 26.568 ( 0.000 9.304 0.000) 9.304 27.105 ( 0.000 3.711 -0.000) 3.711 27.105 ( 0.000 3.711 0.000) 3.711 27.652 ( 0.000 -1.232 -0.000) 1.232 27.652 ( 0.000 -1.232 0.000) 1.232 27.716 ( 0.000 -0.040 -0.000) 0.040 27.716 ( 0.000 -0.040 0.000) 0.040 27.910 ( 0.000 1.140 0.000) 1.140 27.910 ( 0.000 1.140 0.000) 1.140 28.025 ( 0.000 0.748 -0.000) 0.748 28.025 ( 0.000 0.748 0.000) 0.748 28.703 ( 0.000 -11.009 -0.000) 11.009 28.703 ( -0.000 -11.009 0.000) 11.009 28.756 ( 0.000 -13.545 -0.000) 13.545 28.756 ( 0.000 -13.545 0.000) 13.545 29.005 ( 0.000 1.683 0.000) 1.683 29.005 ( 0.000 1.683 0.000) 1.683 29.205 ( 0.000 -2.042 0.000) 2.042 29.205 ( 0.000 -2.042 0.000) 2.042 29.341 ( 0.000 2.206 0.000) 2.206 29.341 ( 0.000 2.206 0.000) 2.206 29.547 ( 0.000 -7.196 0.000) 7.196 29.547 ( 0.000 -7.196 0.000) 7.196 29.955 ( 0.000 0.513 0.000) 0.513 29.955 ( 0.000 0.513 0.000) 0.513 30.196 ( 0.000 -3.131 0.000) 3.131 30.196 ( 0.000 -3.131 0.000) 3.131 31.459 ( 0.000 5.778 0.000) 5.778 31.459 ( 0.000 5.778 0.000) 5.778 32.101 ( 0.000 5.665 0.000) 5.665 32.101 ( 0.000 5.665 0.000) 5.665 32.475 ( 0.000 1.398 0.000) 1.398 32.475 ( 0.000 1.398 0.000) 1.398 32.680 ( 0.000 4.889 0.000) 4.889 32.680 ( 0.000 4.889 0.000) 4.889 33.316 ( -0.000 -11.862 0.000) 11.862 33.316 ( 0.000 -11.862 0.000) 11.862 33.363 ( -0.000 -6.189 -0.000) 6.189 33.363 ( 0.000 -6.189 0.000) 6.189 33.949 ( 0.000 18.919 0.000) 18.919 33.949 ( 0.000 18.919 0.000) 18.919 34.822 ( 0.000 -2.862 0.000) 2.862 34.822 ( 0.000 -2.862 0.000) 2.862 ======================= Grid point 175 (57/64) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 0.000 10.872 -9.436) 14.395 2.645 ( 0.000 10.872 9.436) 14.395 2.740 ( 0.000 1.321 -0.614) 1.456 2.740 ( 0.000 1.321 0.614) 1.456 2.825 ( 0.000 6.491 -6.829) 9.422 2.825 ( 0.000 6.491 6.829) 9.422 3.237 ( 0.000 -4.030 -1.402) 4.267 3.237 ( 0.000 -4.030 1.402) 4.267 3.399 ( 0.000 1.748 -1.520) 2.316 3.399 ( 0.000 1.748 1.520) 2.316 3.510 ( 0.000 1.762 -4.987) 5.289 3.510 ( 0.000 1.762 4.987) 5.289 3.626 ( 0.000 -4.535 -18.238) 18.794 3.626 ( 0.000 -4.535 18.238) 18.794 4.035 ( 0.000 3.816 -5.597) 6.774 4.035 ( 0.000 3.816 5.597) 6.774 4.375 ( 0.000 7.888 -8.724) 11.761 4.375 ( 0.000 7.888 8.724) 11.762 4.790 ( 0.000 -6.241 -6.908) 9.310 4.790 ( 0.000 -6.241 6.908) 9.310 4.937 ( 0.000 9.915 -4.681) 10.964 4.937 ( 0.000 9.915 4.681) 10.964 5.230 ( 0.000 -10.752 -10.071) 14.732 5.230 ( 0.000 -10.752 10.071) 14.732 5.423 ( 0.000 8.349 -8.789) 12.123 5.423 ( 0.000 8.349 8.789) 12.123 5.711 ( 0.000 -2.653 -3.300) 4.234 5.711 ( 0.000 -2.653 3.300) 4.234 5.959 ( 0.000 -2.369 -12.538) 12.760 5.959 ( 0.000 -2.369 12.538) 12.760 6.406 ( 0.000 -11.698 -2.568) 11.976 6.406 ( 0.000 -11.698 2.568) 11.976 6.561 ( 0.000 14.102 -1.474) 14.179 6.561 ( 0.000 14.102 1.474) 14.179 7.251 ( 0.000 2.793 -14.707) 14.970 7.251 ( 0.000 2.793 14.707) 14.970 7.343 ( 0.000 -2.103 -2.698) 3.421 7.343 ( 0.000 -2.103 2.698) 3.421 7.732 ( 0.000 -8.831 -10.301) 13.569 7.732 ( 0.000 -8.831 10.301) 13.569 7.998 ( 0.000 -14.242 -2.781) 14.511 7.998 ( 0.000 -14.242 2.781) 14.511 8.208 ( 0.000 -11.500 -0.100) 11.500 8.208 ( 0.000 -11.500 0.100) 11.500 8.793 ( 0.000 -8.984 -1.176) 9.060 8.793 ( 0.000 -8.984 1.176) 9.060 9.241 ( 0.000 17.360 -13.425) 21.946 9.241 ( 0.000 17.360 13.425) 21.946 9.599 ( 0.000 11.664 -7.089) 13.649 9.599 ( 0.000 11.664 7.089) 13.649 10.196 ( 0.000 -9.492 -7.857) 12.322 10.196 ( 0.000 -9.492 7.857) 12.322 10.452 ( 0.000 8.243 -0.899) 8.292 10.452 ( 0.000 8.243 0.899) 8.292 10.983 ( 0.000 -13.712 -3.690) 14.200 10.983 ( 0.000 -13.712 3.690) 14.200 11.260 ( 0.000 6.529 -3.456) 7.387 11.260 ( 0.000 6.529 3.456) 7.387 11.499 ( 0.000 -2.397 -3.641) 4.359 11.499 ( 0.000 -2.397 3.641) 4.359 11.791 ( 0.000 12.949 -9.125) 15.841 11.791 ( 0.000 12.949 9.125) 15.841 12.246 ( 0.000 -2.380 -1.947) 3.075 12.246 ( 0.000 -2.380 1.947) 3.075 12.447 ( 0.000 3.366 -6.284) 7.129 12.447 ( 0.000 3.366 6.284) 7.129 12.572 ( 0.000 -15.255 -9.022) 17.723 12.572 ( 0.000 -15.255 9.022) 17.723 13.288 ( 0.000 6.707 -10.713) 12.639 13.288 ( 0.000 6.707 10.713) 12.639 13.457 ( 0.000 9.020 -15.847) 18.234 13.457 ( 0.000 9.020 15.847) 18.234 13.962 ( 0.000 6.216 -3.037) 6.918 13.962 ( 0.000 6.216 3.037) 6.918 14.592 ( 0.000 13.222 -1.879) 13.355 14.592 ( 0.000 13.222 1.879) 13.355 15.177 ( 0.000 -5.896 -6.508) 8.782 15.177 ( 0.000 -5.896 6.508) 8.782 15.504 ( 0.000 -4.136 -6.853) 8.004 15.504 ( 0.000 -4.136 6.853) 8.004 15.764 ( 0.000 -2.925 -3.297) 4.407 15.764 ( 0.000 -2.925 3.297) 4.407 16.006 ( 0.000 -1.336 -2.461) 2.800 16.006 ( 0.000 -1.336 2.461) 2.800 16.805 ( 0.000 3.084 -0.313) 3.100 16.805 ( 0.000 3.084 0.313) 3.100 17.099 ( 0.000 -15.097 -4.323) 15.704 17.099 ( 0.000 -15.097 4.323) 15.704 17.446 ( 0.000 -3.895 -2.106) 4.428 17.446 ( 0.000 -3.895 2.106) 4.428 17.835 ( 0.000 5.962 -6.811) 9.052 17.835 ( 0.000 5.962 6.811) 9.052 17.845 ( 0.000 -0.421 -2.795) 2.826 17.845 ( 0.000 -0.421 2.795) 2.826 18.465 ( 0.000 -16.890 -5.105) 17.645 18.465 ( 0.000 -16.890 5.105) 17.645 19.882 ( 0.000 9.700 -9.225) 13.386 19.882 ( 0.000 9.700 9.225) 13.386 21.017 ( 0.000 15.573 -3.775) 16.024 21.017 ( 0.000 15.573 3.775) 16.024 21.286 ( 0.000 2.937 -0.303) 2.953 21.286 ( 0.000 2.937 0.303) 2.953 21.772 ( 0.000 -9.178 -8.027) 12.193 21.772 ( 0.000 -9.178 8.027) 12.193 24.449 ( 0.000 21.004 -15.790) 26.277 24.449 ( 0.000 21.004 15.790) 26.277 24.563 ( 0.000 -1.825 -17.442) 17.538 24.563 ( 0.000 -1.825 17.442) 17.538 25.519 ( 0.000 -1.710 -4.434) 4.753 25.519 ( 0.000 -1.710 4.434) 4.753 25.689 ( 0.000 -16.510 -17.024) 23.715 25.689 ( 0.000 -16.510 17.024) 23.715 26.491 ( 0.000 16.863 -3.966) 17.323 26.491 ( 0.000 16.863 3.966) 17.323 27.198 ( 0.000 -10.603 -8.189) 13.397 27.198 ( 0.000 -10.603 8.189) 13.397 27.442 ( 0.000 2.652 -8.464) 8.869 27.442 ( 0.000 2.652 8.464) 8.869 27.722 ( 0.000 4.182 -6.841) 8.018 27.722 ( 0.000 4.182 6.841) 8.018 27.896 ( 0.000 6.161 -2.889) 6.805 27.896 ( 0.000 6.161 2.889) 6.805 28.226 ( 0.000 -3.451 -0.401) 3.474 28.226 ( 0.000 -3.451 0.401) 3.474 28.266 ( 0.000 -1.923 -9.564) 9.755 28.266 ( 0.000 -1.923 9.564) 9.755 28.583 ( 0.000 -14.084 -6.965) 15.712 28.583 ( 0.000 -14.084 6.965) 15.712 28.934 ( 0.000 5.168 -4.376) 6.771 28.934 ( 0.000 5.168 4.376) 6.771 29.142 ( 0.000 1.558 -0.398) 1.607 29.142 ( 0.000 1.558 0.398) 1.607 29.325 ( 0.000 0.688 -0.139) 0.702 29.325 ( 0.000 0.688 0.139) 0.702 29.616 ( 0.000 -10.121 -2.934) 10.538 29.616 ( 0.000 -10.121 2.934) 10.538 29.716 ( 0.000 -15.662 -3.509) 16.050 29.716 ( 0.000 -15.662 3.509) 16.050 30.153 ( 0.000 -2.678 -1.276) 2.966 30.153 ( 0.000 -2.678 1.276) 2.966 31.719 ( 0.000 10.673 -0.501) 10.685 31.719 ( 0.000 10.673 0.501) 10.685 32.155 ( 0.000 8.911 -14.749) 17.232 32.155 ( 0.000 8.911 14.749) 17.232 32.696 ( 0.000 -6.529 -0.428) 6.543 32.696 ( 0.000 -6.529 0.428) 6.543 32.761 ( 0.000 -2.043 -4.731) 5.153 32.761 ( 0.000 -2.043 4.731) 5.153 33.295 ( 0.000 -0.036 -2.457) 2.457 33.295 ( 0.000 -0.036 2.457) 2.457 33.632 ( 0.000 5.696 -1.705) 5.945 33.632 ( 0.000 5.696 1.705) 5.945 33.822 ( 0.000 -1.695 -8.643) 8.808 33.822 ( 0.000 -1.695 8.643) 8.808 34.855 ( 0.000 5.962 -7.810) 9.826 34.855 ( 0.000 5.962 7.810) 9.826 ======================= Grid point 177 (58/64) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -5.132 3.872 -11.109) 12.835 2.591 ( -5.132 3.872 11.109) 12.835 2.754 ( 4.978 8.161 -9.670) 13.598 2.754 ( 4.978 8.161 9.670) 13.598 2.961 ( 6.307 0.571 -3.983) 7.481 2.961 ( 6.307 0.571 3.983) 7.481 3.145 ( -6.892 1.812 -4.968) 8.687 3.145 ( -6.892 1.812 4.968) 8.687 3.326 ( -4.573 -0.316 -4.299) 6.284 3.326 ( -4.573 -0.316 4.299) 6.284 3.483 ( -1.690 -7.031 -7.281) 10.261 3.483 ( -1.690 -7.031 7.281) 10.261 3.790 ( 12.352 1.334 -12.427) 17.572 3.790 ( 12.352 1.334 12.427) 17.572 4.037 ( 0.888 4.468 -7.188) 8.510 4.037 ( 0.888 4.468 7.188) 8.510 4.374 ( 0.627 5.823 -9.041) 10.772 4.374 ( 0.627 5.823 9.041) 10.772 4.726 ( -3.915 -4.891 -10.766) 12.456 4.726 ( -3.915 -4.891 10.766) 12.456 5.005 ( 5.167 8.634 -3.357) 10.607 5.005 ( 5.167 8.634 3.357) 10.607 5.240 ( -2.219 -1.729 -7.639) 8.140 5.240 ( -2.219 -1.729 7.639) 8.140 5.447 ( 2.256 4.625 -10.772) 11.938 5.447 ( 2.256 4.625 10.772) 11.938 5.734 ( 1.942 -4.536 -8.504) 9.832 5.734 ( 1.942 -4.536 8.504) 9.832 5.915 ( -1.432 1.874 -17.982) 18.137 5.915 ( -1.432 1.874 17.982) 18.137 6.523 ( 7.722 -9.917 -5.101) 13.564 6.523 ( 7.722 -9.917 5.101) 13.564 6.581 ( 2.636 8.641 -4.104) 9.922 6.581 ( 2.636 8.641 4.104) 9.922 7.247 ( -1.782 2.532 -7.911) 8.495 7.247 ( -1.782 2.532 7.911) 8.495 7.303 ( -1.296 -1.626 -16.788) 16.916 7.303 ( -1.296 -1.626 16.788) 16.916 7.755 ( 0.366 -12.059 -12.914) 17.673 7.755 ( 0.366 -12.059 12.914) 17.673 7.921 ( -2.610 -12.839 -5.307) 14.136 7.921 ( -2.610 -12.839 5.307) 14.136 8.242 ( 0.225 -6.256 -2.489) 6.737 8.242 ( 0.225 -6.256 2.489) 6.737 8.710 ( -6.549 -8.139 -5.034) 11.596 8.710 ( -6.549 -8.139 5.034) 11.596 9.219 ( -4.393 11.390 -9.980) 15.768 9.219 ( -4.393 11.390 9.980) 15.768 9.690 ( 9.826 10.910 -8.885) 17.161 9.690 ( 9.826 10.910 8.885) 17.161 10.244 ( 4.545 -6.170 -9.737) 12.391 10.244 ( 4.545 -6.170 9.737) 12.391 10.438 ( -1.155 6.726 -2.656) 7.323 10.438 ( -1.155 6.726 2.656) 7.323 10.923 ( -5.566 -7.585 -8.294) 12.542 10.923 ( -5.566 -7.585 8.294) 12.542 11.268 ( 0.375 4.204 -2.711) 5.016 11.268 ( 0.375 4.204 2.711) 5.016 11.507 ( -1.425 1.698 -2.411) 3.275 11.507 ( -1.425 1.698 2.411) 3.275 11.768 ( 0.876 4.789 -8.250) 9.579 11.768 ( 0.876 4.789 8.250) 9.579 12.222 ( -7.456 -10.648 -6.307) 14.448 12.222 ( -7.456 -10.648 6.307) 14.448 12.381 ( 4.901 -2.052 -11.562) 12.724 12.381 ( 4.901 -2.052 11.562) 12.724 12.759 ( 10.557 0.948 -4.244) 11.417 12.759 ( 10.557 0.948 4.244) 11.417 13.238 ( -5.462 7.957 -13.707) 16.763 13.238 ( -5.462 7.957 13.707) 16.763 13.419 ( -1.379 7.591 -14.477) 16.405 13.419 ( -1.379 7.591 14.477) 16.405 13.952 ( -1.736 6.892 -3.439) 7.896 13.952 ( -1.736 6.892 3.439) 7.896 14.469 ( -10.686 12.680 -3.924) 17.040 14.469 ( -10.686 12.680 3.924) 17.040 15.180 ( -0.055 -5.766 -7.083) 9.133 15.180 ( -0.055 -5.766 7.083) 9.133 15.513 ( 0.264 -9.035 -3.013) 9.528 15.513 ( 0.264 -9.035 3.013) 9.528 15.751 ( 0.008 0.769 -2.814) 2.917 15.751 ( 0.008 0.769 2.814) 2.917 16.003 ( -0.650 -0.861 -4.313) 4.446 16.003 ( -0.650 -0.861 4.313) 4.446 16.838 ( 3.038 3.328 -1.923) 4.899 16.838 ( 3.038 3.328 1.923) 4.899 17.152 ( 4.250 -14.234 -3.470) 15.255 17.152 ( 4.250 -14.234 3.470) 15.255 17.467 ( 2.002 -3.168 -1.924) 4.213 17.467 ( 2.002 -3.168 1.924) 4.213 17.808 ( -2.753 -0.820 -1.945) 3.469 17.808 ( -2.753 -0.820 1.945) 3.469 17.838 ( -0.368 5.684 -5.874) 8.182 17.838 ( -0.368 5.684 5.874) 8.182 18.479 ( 1.127 -17.879 -4.754) 18.534 18.479 ( 1.127 -17.879 4.754) 18.534 19.943 ( 5.797 9.601 -8.626) 14.149 19.943 ( 5.797 9.601 8.626) 14.149 20.980 ( -4.176 11.003 -0.724) 11.791 20.980 ( -4.176 11.003 0.724) 11.791 21.250 ( -2.702 8.347 -0.807) 8.811 21.250 ( -2.702 8.347 0.807) 8.811 21.759 ( -1.109 -9.326 -6.488) 11.415 21.759 ( -1.109 -9.326 6.488) 11.415 24.426 ( -1.167 16.992 -9.468) 19.487 24.426 ( -1.167 16.992 9.468) 19.487 24.597 ( 2.167 1.324 -9.492) 9.826 24.597 ( 2.167 1.324 9.492) 9.826 25.523 ( 0.231 -2.458 -5.801) 6.304 25.523 ( 0.231 -2.458 5.801) 6.304 25.677 ( -1.183 -14.643 -16.153) 21.834 25.677 ( -1.183 -14.643 16.153) 21.834 26.547 ( 5.509 15.827 -3.548) 17.130 26.547 ( 5.509 15.827 3.548) 17.130 27.226 ( 2.238 -8.679 -6.083) 10.833 27.226 ( 2.238 -8.679 6.083) 10.833 27.441 ( 0.479 1.323 -8.276) 8.394 27.441 ( 0.479 1.323 8.276) 8.394 27.753 ( 2.352 4.669 -7.185) 8.886 27.753 ( 2.352 4.669 7.185) 8.886 27.907 ( 0.561 7.105 -6.282) 9.501 27.907 ( 0.561 7.105 6.282) 9.501 28.111 ( -4.724 -3.264 -4.068) 7.037 28.111 ( -4.724 -3.264 4.068) 7.037 28.363 ( 3.592 -6.035 -7.541) 10.304 28.363 ( 3.592 -6.035 7.541) 10.304 28.570 ( -1.296 -13.126 -7.354) 15.101 28.570 ( -1.296 -13.126 7.354) 15.101 28.981 ( 4.125 4.060 -2.331) 6.240 28.981 ( 4.125 4.060 2.331) 6.240 29.126 ( -1.605 1.111 -0.562) 2.031 29.126 ( -1.605 1.111 0.562) 2.031 29.323 ( 0.214 0.524 -1.601) 1.698 29.323 ( 0.214 0.524 1.601) 1.698 29.545 ( -4.745 -10.899 -3.019) 12.265 29.545 ( -4.745 -10.899 3.019) 12.265 29.796 ( 5.419 -10.917 -1.682) 12.304 29.796 ( 5.419 -10.917 1.682) 12.304 30.141 ( -1.194 -2.891 -1.556) 3.494 30.141 ( -1.194 -2.891 1.556) 3.494 31.712 ( -0.521 11.810 -1.363) 11.900 31.712 ( -0.521 11.810 1.363) 11.900 32.166 ( 0.950 7.589 -12.910) 15.005 32.166 ( 0.950 7.589 12.910) 15.005 32.653 ( -3.168 -2.279 -4.449) 5.918 32.653 ( -3.168 -2.279 4.449) 5.918 32.812 ( 3.784 -4.252 -4.848) 7.477 32.812 ( 3.784 -4.252 4.848) 7.477 33.170 ( -11.549 3.407 -5.813) 13.370 33.170 ( -11.549 3.407 5.813) 13.370 33.438 ( -8.591 -6.429 -7.288) 12.971 33.438 ( -8.591 -6.429 7.288) 12.971 34.058 ( 12.710 6.405 -5.894) 15.405 34.058 ( 12.710 6.405 5.894) 15.405 34.829 ( -2.334 3.741 -7.946) 9.088 34.829 ( -2.334 3.741 7.946) 9.088 ======================= Grid point 179 (59/64) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -1.033 1.504 -9.781) 9.950 2.521 ( -1.033 1.504 9.782) 9.950 2.758 ( -8.874 -2.152 -4.268) 10.079 2.758 ( -8.874 -2.152 4.268) 10.079 2.932 ( -0.211 5.296 -7.546) 9.222 2.932 ( -0.211 5.296 7.546) 9.222 3.183 ( 5.995 3.360 -6.493) 9.455 3.183 ( 5.995 3.360 6.493) 9.455 3.263 ( -1.496 -1.483 -6.248) 6.594 3.263 ( -1.496 -1.483 6.248) 6.594 3.440 ( -2.376 -11.687 -3.921) 12.555 3.440 ( -2.376 -11.688 3.921) 12.555 4.022 ( 7.934 6.327 -1.787) 10.304 4.022 ( 7.934 6.327 1.787) 10.304 4.115 ( 6.826 0.812 -0.153) 6.875 4.115 ( 6.826 0.812 0.153) 6.875 4.387 ( 0.491 7.092 -7.764) 10.527 4.387 ( 0.491 7.092 7.764) 10.527 4.728 ( 4.611 -1.843 -12.785) 13.716 4.728 ( 4.611 -1.843 12.785) 13.716 5.034 ( -6.140 4.019 -2.269) 7.681 5.034 ( -6.140 4.019 2.269) 7.681 5.157 ( -1.668 8.961 -3.176) 9.652 5.157 ( -1.668 8.961 3.176) 9.652 5.492 ( 2.748 -1.220 -9.381) 9.851 5.492 ( 2.748 -1.220 9.381) 9.851 5.718 ( -3.905 -7.948 -7.147) 11.379 5.718 ( -3.905 -7.948 7.147) 11.379 5.995 ( 7.442 9.683 -10.118) 15.859 5.995 ( 7.442 9.683 10.118) 15.859 6.565 ( -0.961 12.124 -2.495) 12.415 6.565 ( -0.961 12.124 2.495) 12.415 6.699 ( 4.641 -11.069 -16.786) 20.635 6.699 ( 4.641 -11.069 16.786) 20.635 7.206 ( -1.495 -0.754 -5.883) 6.116 7.206 ( -1.495 -0.754 5.883) 6.116 7.340 ( 5.148 -5.031 -9.231) 11.706 7.340 ( 5.148 -5.031 9.231) 11.706 7.710 ( -3.150 -17.511 -3.981) 18.232 7.710 ( -3.150 -17.511 3.981) 18.232 7.962 ( 4.182 -6.639 -8.338) 11.449 7.962 ( 4.182 -6.639 8.338) 11.449 8.192 ( -4.016 -2.162 -3.622) 5.824 8.192 ( -4.016 -2.162 3.622) 5.824 8.568 ( -6.692 -2.526 -6.629) 9.753 8.568 ( -6.692 -2.526 6.629) 9.753 9.083 ( -6.897 0.171 -6.972) 9.809 9.083 ( -6.897 0.171 6.972) 9.809 9.944 ( 12.916 9.185 -10.974) 19.277 9.944 ( 12.916 9.185 10.974) 19.277 10.342 ( 1.721 1.053 -10.967) 11.151 10.342 ( 1.721 1.053 10.967) 11.151 10.428 ( 2.857 3.718 -8.147) 9.400 10.428 ( 2.857 3.718 8.147) 9.400 10.768 ( -9.299 4.479 -10.634) 14.820 10.768 ( -9.299 4.479 10.634) 14.820 11.270 ( 0.642 -2.988 -3.146) 4.386 11.270 ( 0.642 -2.988 3.146) 4.386 11.453 ( -3.026 3.216 -10.895) 11.756 11.453 ( -3.026 3.216 10.895) 11.756 11.825 ( 3.369 -6.451 -5.644) 9.210 11.825 ( 3.369 -6.451 5.644) 9.210 12.073 ( -6.205 -11.793 -2.679) 13.592 12.073 ( -6.205 -11.793 2.679) 13.592 12.545 ( 9.680 2.078 -7.806) 12.608 12.545 ( 9.680 2.078 7.806) 12.608 12.908 ( 1.139 3.144 -4.343) 5.481 12.908 ( 1.139 3.144 4.343) 5.481 13.118 ( -2.218 13.219 -9.866) 16.644 13.118 ( -2.218 13.219 9.866) 16.644 13.425 ( 0.097 3.757 -8.068) 8.900 13.425 ( 0.097 3.757 8.068) 8.900 13.901 ( -1.175 9.495 -2.963) 10.015 13.901 ( -1.175 9.495 2.963) 10.015 14.221 ( -12.481 10.502 -6.228) 17.460 14.221 ( -12.481 10.502 6.228) 17.460 15.168 ( -0.962 -5.858 -5.081) 7.814 15.168 ( -0.962 -5.858 5.081) 7.814 15.504 ( -0.758 -13.477 -3.445) 13.931 15.504 ( -0.758 -13.477 3.445) 13.931 15.796 ( 4.034 3.587 -8.740) 10.273 15.796 ( 4.034 3.587 8.740) 10.273 15.968 ( -2.892 0.396 -6.971) 7.558 15.968 ( -2.892 0.396 6.971) 7.558 16.912 ( 3.522 3.994 -1.792) 5.619 16.912 ( 3.522 3.994 1.792) 5.619 17.229 ( 2.734 -12.667 -1.832) 13.087 17.229 ( 2.734 -12.667 1.832) 13.087 17.520 ( 2.850 -1.165 -1.902) 3.619 17.520 ( 2.850 -1.165 1.902) 3.619 17.738 ( -3.643 -3.476 -3.500) 6.132 17.738 ( -3.643 -3.476 3.500) 6.132 17.828 ( -0.599 6.317 -4.242) 7.633 17.828 ( -0.599 6.317 4.242) 7.633 18.498 ( 0.588 -19.489 -3.054) 19.735 18.498 ( 0.588 -19.489 3.054) 19.735 20.101 ( 8.849 10.421 -6.540) 15.155 20.101 ( 8.849 10.421 6.540) 15.155 20.836 ( -9.068 2.161 -3.469) 9.947 20.836 ( -9.068 2.161 3.469) 9.947 21.212 ( -0.838 17.847 -1.992) 17.978 21.212 ( -0.838 17.847 1.992) 17.978 21.736 ( -0.922 -9.614 -3.303) 10.207 21.736 ( -0.922 -9.614 3.303) 10.207 24.419 ( 0.303 14.540 -5.690) 15.617 24.419 ( 0.303 14.540 5.690) 15.617 24.628 ( 0.891 2.542 -3.892) 4.734 24.628 ( 0.891 2.542 3.892) 4.734 25.529 ( 0.563 -4.630 -8.186) 9.421 25.529 ( 0.563 -4.630 8.186) 9.421 25.640 ( -2.331 -10.934 -13.178) 17.282 25.640 ( -2.331 -10.934 13.178) 17.282 26.702 ( 8.713 14.138 -3.198) 16.912 26.702 ( 8.713 14.138 3.198) 16.912 27.237 ( -2.108 -0.688 -1.188) 2.515 27.237 ( -2.108 -0.688 1.188) 2.515 27.495 ( 5.028 -4.133 -2.467) 6.960 27.495 ( 5.028 -4.133 2.467) 6.960 27.756 ( -3.287 1.782 -8.127) 8.945 27.756 ( -3.287 1.782 8.127) 8.945 27.928 ( 2.721 5.981 -4.321) 7.865 27.928 ( 2.721 5.981 4.321) 7.865 28.078 ( 0.396 0.481 -5.265) 5.302 28.078 ( 0.396 0.481 5.265) 5.302 28.403 ( 1.147 -10.774 -6.834) 12.810 28.403 ( 1.147 -10.774 6.834) 12.810 28.526 ( -3.005 -12.361 -7.381) 14.708 28.526 ( -3.005 -12.361 7.381) 14.708 29.043 ( 0.117 1.504 -2.007) 2.510 29.043 ( 0.117 1.504 2.007) 2.510 29.111 ( 1.505 -0.927 -1.642) 2.413 29.111 ( 1.505 -0.927 1.642) 2.413 29.341 ( 1.463 0.053 -2.738) 3.105 29.341 ( 1.463 0.053 2.738) 3.105 29.456 ( -3.610 -7.156 -1.946) 8.247 29.456 ( -3.610 -7.156 1.946) 8.247 29.902 ( 4.599 -4.740 -0.874) 6.662 29.902 ( 4.599 -4.740 0.874) 6.662 30.106 ( -2.065 -4.080 -1.875) 4.942 30.106 ( -2.065 -4.080 1.875) 4.942 31.707 ( 0.131 14.644 -1.524) 14.724 31.707 ( 0.131 14.644 1.524) 14.724 32.186 ( 0.710 3.535 -7.149) 8.007 32.186 ( 0.710 3.535 7.149) 8.007 32.584 ( -3.116 3.403 -3.587) 5.844 32.584 ( -3.116 3.403 3.587) 5.844 32.849 ( -3.555 3.264 -4.864) 6.852 32.849 ( -3.555 3.264 4.864) 6.852 32.998 ( 0.280 -7.764 -3.330) 8.453 32.998 ( 0.280 -7.764 3.330) 8.453 33.289 ( -7.104 -10.259 -6.410) 14.029 33.289 ( -7.104 -10.259 6.410) 14.029 34.259 ( 6.828 12.609 -4.652) 15.075 34.259 ( 6.828 12.609 4.652) 15.075 34.774 ( -2.642 -1.419 -6.342) 7.015 34.774 ( -2.642 -1.419 6.342) 7.015 ======================= Grid point 181 (60/64) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 0.000 0.262 -0.000) 0.262 2.566 ( -0.000 0.262 0.000) 0.262 2.577 ( -0.000 -3.658 -0.000) 3.658 2.577 ( 0.000 -3.658 0.000) 3.658 2.944 ( 0.000 6.292 0.000) 6.292 2.944 ( 0.000 6.292 0.000) 6.292 3.247 ( -0.000 -1.443 -0.000) 1.443 3.247 ( 0.000 -1.443 -0.000) 1.443 3.262 ( 0.000 2.942 0.000) 2.942 3.262 ( 0.000 2.942 0.000) 2.942 3.406 ( 0.000 -14.760 0.000) 14.760 3.406 ( 0.000 -14.760 0.000) 14.760 4.122 ( 0.000 5.312 -0.000) 5.312 4.122 ( 0.000 5.312 0.000) 5.312 4.162 ( 0.000 1.904 -0.000) 1.904 4.162 ( -0.000 1.904 0.000) 1.904 4.442 ( 0.000 6.814 0.000) 6.814 4.442 ( 0.000 6.814 0.000) 6.814 4.775 ( 0.000 4.581 0.000) 4.581 4.775 ( 0.000 4.581 0.000) 4.581 4.933 ( 0.000 6.151 0.000) 6.151 4.933 ( 0.000 6.151 0.000) 6.151 5.146 ( 0.000 2.537 0.000) 2.537 5.146 ( 0.000 2.537 0.000) 2.537 5.560 ( -0.000 -5.480 -0.000) 5.480 5.560 ( 0.000 -5.480 0.000) 5.480 5.631 ( 0.000 -4.643 -0.000) 4.643 5.631 ( 0.000 -4.643 0.000) 4.643 6.090 ( 0.000 12.580 0.000) 12.580 6.090 ( 0.000 12.580 0.000) 12.580 6.543 ( 0.000 11.557 0.000) 11.557 6.543 ( 0.000 11.557 0.000) 11.557 6.744 ( 0.000 -5.315 0.000) 5.315 6.744 ( 0.000 -5.315 0.000) 5.315 7.182 ( 0.000 -3.357 0.000) 3.357 7.182 ( 0.000 -3.357 0.000) 3.357 7.439 ( 0.000 -11.605 -0.000) 11.605 7.439 ( 0.000 -11.605 0.000) 11.605 7.663 ( 0.000 -18.227 0.000) 18.227 7.663 ( 0.000 -18.227 0.000) 18.227 8.019 ( 0.000 -2.101 -0.000) 2.101 8.019 ( 0.000 -2.101 0.000) 2.101 8.133 ( 0.000 -1.601 0.000) 1.601 8.133 ( 0.000 -1.601 0.000) 1.601 8.488 ( 0.000 1.193 0.000) 1.193 8.488 ( 0.000 1.193 0.000) 1.193 9.003 ( 0.000 -5.686 -0.000) 5.686 9.003 ( 0.000 -5.686 0.000) 5.686 10.120 ( 0.000 5.955 -0.000) 5.955 10.120 ( 0.000 5.955 0.000) 5.955 10.303 ( -0.000 5.219 -0.000) 5.219 10.303 ( 0.000 5.219 0.000) 5.219 10.564 ( -0.000 5.140 0.000) 5.140 10.564 ( -0.000 5.140 0.000) 5.140 10.584 ( 0.000 8.465 -0.000) 8.465 10.584 ( -0.000 8.465 0.000) 8.465 11.300 ( 0.000 -5.570 0.000) 5.570 11.300 ( 0.000 -5.570 0.000) 5.570 11.400 ( 0.000 -0.789 -0.000) 0.789 11.400 ( 0.000 -0.789 0.000) 0.789 11.886 ( -0.000 -7.587 -0.000) 7.587 11.886 ( 0.000 -7.587 0.000) 7.587 11.982 ( -0.000 -11.196 0.000) 11.196 11.982 ( 0.000 -11.196 0.000) 11.196 12.704 ( 0.000 8.496 -0.000) 8.496 12.704 ( -0.000 8.496 0.000) 8.496 12.829 ( -0.000 1.301 -0.000) 1.301 12.829 ( 0.000 1.301 0.000) 1.301 13.157 ( 0.000 11.155 0.000) 11.155 13.157 ( 0.000 11.155 0.000) 11.155 13.395 ( 0.000 3.781 0.000) 3.781 13.395 ( 0.000 3.781 0.000) 3.781 13.967 ( -0.000 16.721 0.000) 16.721 13.967 ( 0.000 16.721 0.000) 16.721 14.010 ( -0.000 3.125 -0.000) 3.125 14.010 ( 0.000 3.125 0.000) 3.125 15.155 ( 0.000 -6.018 0.000) 6.018 15.155 ( 0.000 -6.018 0.000) 6.018 15.496 ( 0.000 -13.651 0.000) 13.651 15.496 ( 0.000 -13.651 0.000) 13.651 15.880 ( 0.000 4.009 -0.000) 4.009 15.880 ( 0.000 4.009 0.000) 4.009 15.899 ( -0.000 0.324 -0.000) 0.324 15.899 ( -0.000 0.324 0.000) 0.324 16.953 ( 0.000 4.618 0.000) 4.618 16.953 ( 0.000 4.618 0.000) 4.618 17.256 ( 0.000 -12.133 0.000) 12.133 17.256 ( 0.000 -12.133 0.000) 12.133 17.559 ( -0.000 1.056 0.000) 1.056 17.559 ( 0.000 1.056 0.000) 1.056 17.690 ( 0.000 -5.690 -0.000) 5.690 17.690 ( 0.000 -5.690 0.000) 5.690 17.820 ( 0.000 6.200 0.000) 6.200 17.820 ( 0.000 6.200 0.000) 6.200 18.503 ( 0.000 -20.146 0.000) 20.146 18.503 ( 0.000 -20.146 0.000) 20.146 20.222 ( 0.000 12.777 0.000) 12.777 20.222 ( 0.000 12.777 0.000) 12.777 20.709 ( 0.000 -2.206 0.000) 2.206 20.709 ( 0.000 -2.206 0.000) 2.206 21.205 ( 0.000 20.629 0.000) 20.629 21.205 ( 0.000 20.629 0.000) 20.629 21.726 ( 0.000 -9.769 0.000) 9.769 21.726 ( 0.000 -9.769 0.000) 9.769 24.425 ( 0.000 13.655 0.000) 13.655 24.425 ( 0.000 13.655 0.000) 13.655 24.636 ( 0.000 3.084 0.000) 3.084 24.636 ( 0.000 3.084 0.000) 3.084 25.543 ( 0.000 -6.625 0.000) 6.625 25.543 ( 0.000 -6.625 0.000) 6.625 25.604 ( 0.000 -8.564 -0.000) 8.564 25.604 ( -0.000 -8.564 -0.000) 8.564 26.819 ( 0.000 13.831 0.000) 13.831 26.819 ( 0.000 13.831 0.000) 13.831 27.189 ( 0.000 2.553 0.000) 2.553 27.189 ( 0.000 2.553 0.000) 2.553 27.588 ( -0.000 -4.049 -0.000) 4.049 27.588 ( 0.000 -4.049 0.000) 4.049 27.680 ( 0.000 -3.683 0.000) 3.683 27.680 ( 0.000 -3.683 0.000) 3.683 27.977 ( 0.000 5.502 0.000) 5.502 27.977 ( 0.000 5.502 0.000) 5.502 28.079 ( 0.000 4.549 -0.000) 4.549 28.079 ( 0.000 4.549 0.000) 4.549 28.431 ( 0.000 -13.406 -0.000) 13.406 28.431 ( 0.000 -13.406 0.000) 13.406 28.471 ( -0.000 -12.374 0.000) 12.374 28.471 ( 0.000 -12.374 0.000) 12.374 29.033 ( 0.000 1.130 0.000) 1.130 29.033 ( 0.000 1.130 0.000) 1.130 29.134 ( 0.000 -3.960 0.000) 3.960 29.134 ( 0.000 -3.960 0.000) 3.960 29.371 ( 0.000 0.346 0.000) 0.346 29.371 ( 0.000 0.346 0.000) 0.346 29.409 ( 0.000 -4.635 0.000) 4.635 29.409 ( 0.000 -4.635 0.000) 4.635 29.959 ( 0.000 0.094 0.000) 0.094 29.959 ( 0.000 0.094 0.000) 0.094 30.075 ( -0.000 -6.591 0.000) 6.591 30.075 ( 0.000 -6.591 0.000) 6.591 31.711 ( 0.000 16.599 0.000) 16.599 31.711 ( 0.000 16.599 0.000) 16.599 32.191 ( 0.000 0.257 0.000) 0.257 32.191 ( 0.000 0.257 0.000) 0.257 32.550 ( 0.000 6.641 -0.000) 6.641 32.550 ( 0.000 6.641 0.000) 6.641 32.782 ( 0.000 4.101 0.000) 4.101 32.782 ( 0.000 4.101 0.000) 4.101 33.069 ( 0.000 -11.175 -0.000) 11.175 33.069 ( 0.000 -11.175 0.000) 11.175 33.175 ( -0.000 -10.739 -0.000) 10.739 33.175 ( 0.000 -10.739 0.000) 10.739 34.330 ( 0.000 16.109 0.000) 16.109 34.330 ( 0.000 16.109 0.000) 16.109 34.743 ( 0.000 -4.791 0.000) 4.791 34.743 ( 0.000 -4.791 0.000) 4.791 ======================= Grid point 189 (61/64) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 -0.000 0.000) 0.000 2.913 ( 0.000 0.000 -0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 -0.000 -0.000) 0.000 3.249 ( 0.000 -0.000 0.000) 0.000 3.269 ( 0.000 0.000 -0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 -0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 -0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 -0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 -0.000) 0.000 5.168 ( 0.000 0.000 -0.000) 0.000 5.168 ( 0.000 -0.000 0.000) 0.000 5.473 ( 0.000 -0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 -0.000 -0.000) 0.000 6.872 ( 0.000 0.000 -0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 -0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 7.738 ( 0.000 -0.000 -0.000) 0.000 7.738 ( 0.000 -0.000 0.000) 0.000 8.050 ( 0.000 0.000 0.000) 0.000 8.050 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 -0.000 0.000) 0.000 9.664 ( 0.000 -0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 -0.000 0.000) 0.000 10.674 ( 0.000 -0.000 0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.419 ( 0.000 -0.000 0.000) 0.000 11.419 ( 0.000 0.000 0.000) 0.000 12.032 ( 0.000 0.000 0.000) 0.000 12.032 ( 0.000 0.000 0.000) 0.000 12.241 ( 0.000 -0.000 0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.266 ( 0.000 0.000 0.000) 0.000 12.266 ( 0.000 0.000 0.000) 0.000 12.515 ( 0.000 0.000 0.000) 0.000 12.515 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.512 ( 0.000 0.000 -0.000) 0.000 13.512 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.398 ( 0.000 0.000 0.000) 0.000 15.398 ( 0.000 0.000 0.000) 0.000 15.769 ( 0.000 0.000 0.000) 0.000 15.769 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 0.000) 0.000 16.874 ( 0.000 -0.000 0.000) 0.000 16.874 ( 0.000 0.000 0.000) 0.000 16.889 ( 0.000 -0.000 -0.000) 0.000 16.889 ( 0.000 0.000 -0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 17.815 ( 0.000 0.000 0.000) 0.000 17.815 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 -0.000 0.000) 0.000 18.156 ( 0.000 0.000 0.000) 0.000 18.156 ( 0.000 0.000 -0.000) 0.000 20.004 ( 0.000 0.000 0.000) 0.000 20.004 ( 0.000 0.000 0.000) 0.000 21.121 ( 0.000 0.000 0.000) 0.000 21.121 ( 0.000 0.000 0.000) 0.000 21.470 ( 0.000 0.000 0.000) 0.000 21.470 ( 0.000 0.000 0.000) 0.000 21.579 ( 0.000 -0.000 0.000) 0.000 21.579 ( 0.000 0.000 0.000) 0.000 24.456 ( 0.000 0.000 0.000) 0.000 24.456 ( 0.000 0.000 0.000) 0.000 24.869 ( 0.000 0.000 0.000) 0.000 24.869 ( 0.000 0.000 0.000) 0.000 25.359 ( 0.000 0.000 0.000) 0.000 25.359 ( 0.000 0.000 0.000) 0.000 25.543 ( 0.000 0.000 0.000) 0.000 25.543 ( 0.000 0.000 0.000) 0.000 26.758 ( 0.000 0.000 0.000) 0.000 26.758 ( 0.000 0.000 0.000) 0.000 27.002 ( 0.000 0.000 0.000) 0.000 27.002 ( 0.000 0.000 0.000) 0.000 27.477 ( 0.000 0.000 -0.000) 0.000 27.477 ( 0.000 0.000 0.000) 0.000 27.776 ( 0.000 0.000 0.000) 0.000 27.776 ( 0.000 0.000 0.000) 0.000 27.948 ( 0.000 0.000 0.000) 0.000 27.948 ( 0.000 0.000 0.000) 0.000 28.243 ( 0.000 0.000 0.000) 0.000 28.243 ( 0.000 0.000 0.000) 0.000 28.299 ( 0.000 -0.000 -0.000) 0.000 28.299 ( 0.000 -0.000 0.000) 0.000 28.315 ( 0.000 0.000 -0.000) 0.000 28.315 ( 0.000 0.000 0.000) 0.000 29.046 ( 0.000 0.000 0.000) 0.000 29.046 ( 0.000 0.000 0.000) 0.000 29.156 ( 0.000 0.000 0.000) 0.000 29.156 ( 0.000 0.000 0.000) 0.000 29.387 ( 0.000 0.000 -0.000) 0.000 29.387 ( 0.000 0.000 0.000) 0.000 29.389 ( 0.000 -0.000 -0.000) 0.000 29.389 ( 0.000 -0.000 0.000) 0.000 29.552 ( 0.000 0.000 0.000) 0.000 29.552 ( 0.000 0.000 0.000) 0.000 30.126 ( 0.000 0.000 0.000) 0.000 30.126 ( 0.000 0.000 0.000) 0.000 31.863 ( 0.000 0.000 0.000) 0.000 31.863 ( 0.000 0.000 0.000) 0.000 32.254 ( 0.000 0.000 0.000) 0.000 32.254 ( 0.000 0.000 0.000) 0.000 32.627 ( 0.000 -0.000 -0.000) 0.000 32.627 ( 0.000 0.000 0.000) 0.000 32.722 ( 0.000 0.000 0.000) 0.000 32.722 ( 0.000 0.000 0.000) 0.000 33.292 ( 0.000 0.000 0.000) 0.000 33.292 ( 0.000 0.000 0.000) 0.000 33.692 ( 0.000 0.000 0.000) 0.000 33.692 ( 0.000 0.000 0.000) 0.000 33.803 ( 0.000 0.000 0.000) 0.000 33.803 ( 0.000 0.000 0.000) 0.000 34.920 ( 0.000 0.000 0.000) 0.000 34.920 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 193 (62/64) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -5.462 0.000 0.000) 5.462 2.639 ( -5.462 0.000 0.000) 5.462 2.884 ( 5.843 -0.000 0.000) 5.843 2.884 ( 5.843 0.000 0.000) 5.843 2.890 ( -3.822 -0.000 -0.000) 3.822 2.890 ( -3.822 0.000 -0.000) 3.822 3.234 ( -2.993 -0.000 0.000) 2.993 3.234 ( -2.993 -0.000 0.000) 2.993 3.286 ( 1.673 0.000 0.000) 1.673 3.286 ( 1.673 0.000 0.000) 1.673 3.392 ( -7.159 -0.000 -0.000) 7.159 3.392 ( -7.159 0.000 0.000) 7.159 3.860 ( 9.520 -0.000 -0.000) 9.520 3.860 ( 9.520 0.000 0.000) 9.520 4.066 ( 3.303 0.000 0.000) 3.303 4.066 ( 3.303 0.000 0.000) 3.303 4.460 ( 2.148 0.000 0.000) 2.148 4.460 ( 2.148 0.000 0.000) 2.148 4.573 ( -1.389 0.000 -0.000) 1.389 4.573 ( -1.389 0.000 0.000) 1.389 5.178 ( 2.567 0.000 -0.000) 2.567 5.178 ( 2.567 0.000 0.000) 2.567 5.216 ( 1.814 -0.000 -0.000) 1.814 5.216 ( 1.814 0.000 0.000) 1.814 5.477 ( 0.434 0.000 0.000) 0.434 5.477 ( 0.434 0.000 0.000) 0.434 5.669 ( -1.491 0.000 0.000) 1.491 5.669 ( -1.491 0.000 0.000) 1.491 6.029 ( 6.055 -0.000 -0.000) 6.055 6.029 ( 6.055 0.000 0.000) 6.055 6.295 ( 4.775 -0.000 0.000) 4.775 6.295 ( 4.775 0.000 0.000) 4.775 6.890 ( 1.271 -0.000 -0.000) 1.271 6.890 ( 1.271 0.000 -0.000) 1.271 7.086 ( -5.769 0.000 0.000) 5.769 7.086 ( -5.769 0.000 0.000) 5.769 7.331 ( 2.345 0.000 0.000) 2.345 7.331 ( 2.345 0.000 0.000) 2.345 7.620 ( -7.745 0.000 -0.000) 7.745 7.620 ( -7.745 0.000 0.000) 7.745 7.747 ( 4.228 0.000 0.000) 4.228 7.747 ( 4.228 0.000 0.000) 4.228 8.138 ( 4.204 0.000 0.000) 4.204 8.138 ( 4.204 0.000 0.000) 4.204 8.645 ( -4.882 0.000 0.000) 4.882 8.645 ( -4.882 0.000 0.000) 4.882 9.408 ( -14.256 0.000 0.000) 14.256 9.408 ( -14.256 0.000 0.000) 14.256 9.792 ( 11.165 0.000 0.000) 11.165 9.792 ( 11.165 0.000 0.000) 11.165 10.134 ( 8.824 0.000 0.000) 8.824 10.134 ( 8.824 0.000 0.000) 8.824 10.652 ( -3.148 -0.000 -0.000) 3.148 10.652 ( -3.148 0.000 0.000) 3.148 10.677 ( 0.674 0.000 0.000) 0.674 10.677 ( 0.674 0.000 0.000) 0.674 11.420 ( 0.200 0.000 -0.000) 0.200 11.420 ( 0.200 0.000 0.000) 0.200 11.466 ( 4.024 0.000 0.000) 4.024 11.466 ( 4.024 0.000 0.000) 4.024 11.913 ( -19.940 0.000 0.000) 19.940 11.913 ( -19.940 -0.000 0.000) 19.940 11.988 ( -2.530 0.000 -0.000) 2.530 11.988 ( -2.530 0.000 -0.000) 2.530 12.361 ( 8.135 0.000 0.000) 8.135 12.361 ( 8.135 0.000 0.000) 8.135 12.785 ( 14.315 0.000 0.000) 14.315 12.785 ( 14.315 0.000 0.000) 14.315 13.362 ( -1.574 0.000 -0.000) 1.574 13.362 ( -1.574 -0.000 0.000) 1.574 13.445 ( -5.123 0.000 -0.000) 5.123 13.445 ( -5.123 0.000 0.000) 5.123 14.060 ( -0.672 0.000 0.000) 0.672 14.060 ( -0.672 0.000 0.000) 0.672 14.635 ( -11.513 0.000 0.000) 11.513 14.635 ( -11.513 0.000 0.000) 11.513 15.130 ( 1.705 0.000 -0.000) 1.705 15.130 ( 1.705 0.000 0.000) 1.705 15.350 ( -4.148 0.000 0.000) 4.148 15.350 ( -4.148 0.000 0.000) 4.148 15.782 ( 1.635 0.000 0.000) 1.635 15.782 ( 1.635 0.000 0.000) 1.635 15.996 ( 0.019 0.000 0.000) 0.019 15.996 ( 0.019 0.000 0.000) 0.019 16.906 ( 3.056 0.000 0.000) 3.056 16.906 ( 3.056 0.000 0.000) 3.056 16.954 ( 5.288 -0.000 -0.000) 5.288 16.954 ( 5.288 0.000 0.000) 5.288 17.416 ( 2.679 0.000 0.000) 2.679 17.416 ( 2.679 0.000 0.000) 2.679 17.776 ( -3.569 0.000 0.000) 3.569 17.776 ( -3.569 0.000 0.000) 3.569 18.061 ( 0.664 -0.000 0.000) 0.664 18.061 ( 0.664 0.000 0.000) 0.664 18.154 ( -0.437 -0.000 0.000) 0.437 18.154 ( -0.437 0.000 0.000) 0.437 20.065 ( 6.057 0.000 0.000) 6.057 20.065 ( 6.057 0.000 0.000) 6.057 21.036 ( -8.115 0.000 0.000) 8.115 21.036 ( -8.115 0.000 0.000) 8.115 21.481 ( 0.971 0.000 0.000) 0.971 21.481 ( 0.971 0.000 0.000) 0.971 21.574 ( -0.522 -0.000 0.000) 0.522 21.574 ( -0.522 0.000 0.000) 0.522 24.471 ( 1.668 0.000 0.000) 1.668 24.471 ( 1.668 0.000 0.000) 1.668 24.829 ( -3.655 0.000 0.000) 3.655 24.829 ( -3.655 0.000 0.000) 3.655 25.379 ( 1.727 0.000 -0.000) 1.727 25.379 ( 1.727 -0.000 0.000) 1.727 25.553 ( 0.521 0.000 0.000) 0.521 25.553 ( 0.521 0.000 0.000) 0.521 26.798 ( 4.146 0.000 0.000) 4.146 26.798 ( 4.146 0.000 0.000) 4.146 27.052 ( 4.501 -0.000 0.000) 4.501 27.052 ( 4.501 0.000 0.000) 4.501 27.467 ( -0.620 0.000 0.000) 0.620 27.467 ( -0.620 0.000 0.000) 0.620 27.817 ( 2.834 0.000 0.000) 2.834 27.817 ( 2.834 0.000 0.000) 2.834 27.987 ( 3.612 -0.000 -0.000) 3.612 27.987 ( 3.612 0.000 0.000) 3.612 28.087 ( -8.579 0.000 0.000) 8.579 28.087 ( -8.579 0.000 0.000) 8.579 28.305 ( -1.142 -0.000 0.000) 1.142 28.305 ( -1.142 0.000 0.000) 1.142 28.381 ( 2.297 0.000 -0.000) 2.297 28.381 ( 2.297 0.000 0.000) 2.297 29.067 ( 1.341 -0.000 0.000) 1.341 29.067 ( 1.341 0.000 0.000) 1.341 29.143 ( -1.436 0.000 0.000) 1.436 29.143 ( -1.436 0.000 0.000) 1.436 29.328 ( -2.939 0.000 -0.000) 2.939 29.328 ( -2.939 0.000 0.000) 2.939 29.385 ( 0.008 -0.000 0.000) 0.008 29.385 ( 0.008 0.000 0.000) 0.008 29.663 ( 8.193 0.000 0.000) 8.193 29.663 ( 8.193 0.000 0.000) 8.193 30.112 ( -1.380 0.000 0.000) 1.380 30.112 ( -1.380 0.000 0.000) 1.380 31.874 ( 1.374 0.000 0.000) 1.374 31.874 ( 1.374 0.000 0.000) 1.374 32.238 ( -1.699 0.000 0.000) 1.699 32.238 ( -1.699 0.000 0.000) 1.699 32.636 ( 0.905 -0.000 -0.000) 0.905 32.636 ( 0.905 0.000 0.000) 0.905 32.748 ( 2.609 0.000 0.000) 2.609 32.748 ( 2.609 0.000 0.000) 2.609 33.249 ( -4.106 0.000 0.000) 4.106 33.249 ( -4.106 -0.000 0.000) 4.106 33.318 ( -20.155 0.000 -0.000) 20.155 33.318 ( -20.155 0.000 0.000) 20.155 34.128 ( 15.978 0.000 0.000) 15.978 34.128 ( 15.978 0.000 0.000) 15.978 34.872 ( -4.480 0.000 0.000) 4.480 34.872 ( -4.480 0.000 0.000) 4.480 ======================= Grid point 197 (63/64) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -2.777 0.000 0.000) 2.777 2.544 ( -2.777 0.000 0.000) 2.777 2.728 ( -10.387 0.000 0.000) 10.387 2.728 ( -10.387 0.000 0.000) 10.387 3.016 ( 6.441 0.000 0.000) 6.441 3.016 ( 6.441 0.000 0.000) 6.441 3.182 ( -2.048 0.000 0.000) 2.048 3.182 ( -2.048 0.000 0.000) 2.048 3.277 ( -1.858 -0.000 0.000) 1.858 3.277 ( -1.858 0.000 0.000) 1.858 3.285 ( -3.329 -0.000 -0.000) 3.329 3.285 ( -3.329 0.000 -0.000) 3.329 4.093 ( 10.853 0.000 -0.000) 10.853 4.093 ( 10.853 0.000 0.000) 10.853 4.137 ( 2.981 0.000 -0.000) 2.981 4.137 ( 2.981 -0.000 0.000) 2.981 4.545 ( 0.564 -0.000 -0.000) 0.564 4.545 ( 0.564 0.000 0.000) 0.564 4.609 ( 10.578 0.000 0.000) 10.578 4.609 ( 10.578 0.000 0.000) 10.578 5.147 ( -7.545 -0.000 0.000) 7.545 5.147 ( -7.545 0.000 0.000) 7.545 5.197 ( -1.677 -0.000 -0.000) 1.677 5.197 ( -1.677 0.000 -0.000) 1.677 5.505 ( 1.992 0.000 -0.000) 1.992 5.505 ( 1.992 0.000 0.000) 1.992 5.610 ( -3.824 -0.000 0.000) 3.824 5.610 ( -3.824 0.000 0.000) 3.824 6.213 ( 10.836 -0.000 -0.000) 10.836 6.213 ( 10.836 0.000 -0.000) 10.836 6.413 ( 4.827 -0.000 0.000) 4.827 6.413 ( 4.827 0.000 0.000) 4.827 6.905 ( 0.391 -0.000 -0.000) 0.391 6.905 ( 0.391 0.000 0.000) 0.391 6.984 ( -3.621 -0.000 0.000) 3.621 6.984 ( -3.621 0.000 0.000) 3.621 7.369 ( 1.267 0.000 -0.000) 1.267 7.369 ( 1.267 -0.000 0.000) 1.267 7.488 ( -5.242 0.000 -0.000) 5.242 7.488 ( -5.242 0.000 0.000) 5.242 7.868 ( 7.372 0.000 0.000) 7.372 7.868 ( 7.372 0.000 0.000) 7.372 8.136 ( -3.877 0.000 0.000) 3.877 8.136 ( -3.877 0.000 0.000) 3.877 8.612 ( 2.700 0.000 0.000) 2.700 8.612 ( 2.700 0.000 0.000) 2.700 9.074 ( -17.210 0.000 0.000) 17.210 9.074 ( -17.210 0.000 0.000) 17.210 10.045 ( 11.973 0.000 -0.000) 11.973 10.045 ( 11.973 0.000 0.000) 11.973 10.285 ( 3.436 0.000 -0.000) 3.436 10.285 ( 3.436 0.000 0.000) 3.436 10.624 ( 2.304 -0.000 0.000) 2.304 10.624 ( 2.304 0.000 0.000) 2.304 10.714 ( 2.784 -0.000 0.000) 2.784 10.714 ( 2.784 0.000 -0.000) 2.784 11.358 ( -5.527 0.000 -0.000) 5.527 11.358 ( -5.527 0.000 0.000) 5.527 11.443 ( -11.510 -0.000 -0.000) 11.510 11.443 ( -11.510 -0.000 0.000) 11.510 11.678 ( 3.049 0.000 -0.000) 3.049 11.678 ( 3.049 0.000 0.000) 3.049 11.932 ( -3.981 0.000 -0.000) 3.981 11.932 ( -3.981 0.000 0.000) 3.981 12.579 ( 12.677 0.000 0.000) 12.677 12.579 ( 12.677 0.000 0.000) 12.677 12.948 ( 0.328 0.000 0.000) 0.328 12.948 ( 0.328 0.000 0.000) 0.328 13.338 ( -0.348 -0.000 -0.000) 0.348 13.338 ( -0.348 -0.000 0.000) 0.348 13.370 ( -1.476 -0.000 -0.000) 1.476 13.370 ( -1.476 0.000 0.000) 1.476 14.043 ( 0.328 0.000 -0.000) 0.328 14.043 ( 0.328 0.000 0.000) 0.328 14.363 ( -13.698 0.000 0.000) 13.698 14.363 ( -13.698 0.000 0.000) 13.698 15.165 ( 1.640 0.000 -0.000) 1.640 15.165 ( 1.640 0.000 0.000) 1.640 15.261 ( -3.915 0.000 0.000) 3.915 15.261 ( -3.915 0.000 0.000) 3.915 15.839 ( 3.703 0.000 0.000) 3.703 15.839 ( 3.703 0.000 0.000) 3.703 15.978 ( -1.999 0.000 0.000) 1.999 15.978 ( -1.999 0.000 0.000) 1.999 16.986 ( 4.340 0.000 0.000) 4.340 16.986 ( 4.340 0.000 0.000) 4.340 17.050 ( 3.091 -0.000 0.000) 3.091 17.050 ( 3.091 0.000 0.000) 3.091 17.488 ( 4.165 0.000 0.000) 4.165 17.488 ( 4.165 0.000 0.000) 4.165 17.683 ( -5.201 0.000 0.000) 5.201 17.683 ( -5.201 0.000 0.000) 5.201 18.078 ( 0.955 -0.000 0.000) 0.955 18.078 ( 0.955 0.000 0.000) 0.955 18.134 ( -1.434 -0.000 -0.000) 1.434 18.134 ( -1.434 0.000 0.000) 1.434 20.247 ( 11.562 -0.000 0.000) 11.562 20.247 ( 11.562 0.000 0.000) 11.562 20.809 ( -13.441 0.000 0.000) 13.441 20.809 ( -13.441 0.000 0.000) 13.441 21.506 ( 1.447 -0.000 0.000) 1.447 21.506 ( 1.447 0.000 0.000) 1.447 21.559 ( -0.934 -0.000 0.000) 0.934 21.559 ( -0.934 0.000 0.000) 0.934 24.529 ( 4.031 0.000 0.000) 4.031 24.529 ( 4.031 0.000 0.000) 4.031 24.735 ( -5.232 0.000 0.000) 5.232 24.735 ( -5.232 0.000 0.000) 5.232 25.423 ( 2.595 0.000 -0.000) 2.595 25.423 ( 2.595 -0.000 0.000) 2.595 25.542 ( -1.885 0.000 0.000) 1.885 25.542 ( -1.885 0.000 0.000) 1.885 26.931 ( 8.545 -0.000 0.000) 8.545 26.931 ( 8.545 0.000 0.000) 8.545 27.145 ( 2.828 -0.000 -0.000) 2.828 27.145 ( 2.828 0.000 0.000) 2.828 27.471 ( 1.963 0.000 0.000) 1.963 27.471 ( 1.963 0.000 0.000) 1.963 27.769 ( -8.383 0.000 -0.000) 8.383 27.769 ( -8.383 0.000 0.000) 8.383 28.033 ( 3.902 -0.000 0.000) 3.902 28.033 ( 3.902 0.000 0.000) 3.902 28.082 ( 5.267 -0.000 0.000) 5.267 28.082 ( 5.267 0.000 0.000) 5.267 28.265 ( -2.485 -0.000 0.000) 2.485 28.265 ( -2.485 0.000 0.000) 2.485 28.367 ( -3.482 0.000 0.000) 3.482 28.367 ( -3.482 0.000 -0.000) 3.482 29.070 ( -0.816 -0.000 0.000) 0.816 29.070 ( -0.816 0.000 0.000) 0.816 29.100 ( -2.382 -0.000 0.000) 2.382 29.100 ( -2.382 0.000 0.000) 2.382 29.321 ( 1.873 0.000 -0.000) 1.873 29.321 ( 1.873 0.000 0.000) 1.873 29.386 ( -0.179 0.000 0.000) 0.179 29.386 ( -0.179 0.000 0.000) 0.179 29.835 ( 8.149 0.000 0.000) 8.149 29.835 ( 8.149 0.000 0.000) 8.149 30.067 ( -3.171 0.000 0.000) 3.171 30.067 ( -3.171 0.000 0.000) 3.171 31.931 ( 4.443 -0.000 0.000) 4.443 31.931 ( 4.443 0.000 0.000) 4.443 32.175 ( -4.693 0.000 0.000) 4.693 32.175 ( -4.693 0.000 0.000) 4.693 32.667 ( 2.244 -0.000 -0.000) 2.244 32.667 ( 2.244 0.000 0.000) 2.244 32.822 ( 3.555 0.000 0.000) 3.555 32.822 ( 3.555 0.000 0.000) 3.555 32.968 ( -12.230 -0.000 0.000) 12.230 32.968 ( -12.230 0.000 0.000) 12.230 33.132 ( -7.086 0.000 -0.000) 7.086 33.132 ( -7.086 0.000 -0.000) 7.086 34.404 ( 11.248 0.000 0.000) 11.248 34.404 ( 11.248 0.000 0.000) 11.248 34.753 ( -6.862 0.000 0.000) 6.862 34.753 ( -6.862 0.000 0.000) 6.862 ======================= Grid point 201 (64/64) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -4.409 -0.385 0.000) 4.426 2.559 ( -4.409 -0.385 0.000) 4.426 2.559 ( 4.409 0.385 0.000) 4.426 2.559 ( 4.409 0.385 0.000) 4.426 3.125 ( -0.718 -10.811 0.000) 10.835 3.125 ( -0.718 -10.811 0.000) 10.835 3.125 ( 0.718 10.811 0.000) 10.835 3.125 ( 0.718 10.811 0.000) 10.835 3.252 ( -0.001 -1.945 0.000) 1.945 3.252 ( -0.001 -1.945 0.000) 1.945 3.252 ( 0.001 1.945 0.000) 1.945 3.252 ( 0.001 1.945 0.000) 1.945 4.186 ( -0.835 -0.261 0.000) 0.875 4.186 ( -0.835 -0.261 0.000) 0.875 4.186 ( 0.835 0.261 -0.000) 0.875 4.186 ( 0.835 0.261 0.000) 0.875 4.665 ( -2.349 -11.355 -0.000) 11.596 4.665 ( -2.349 -11.355 0.000) 11.596 4.665 ( 2.349 11.355 0.000) 11.596 4.665 ( 2.349 11.355 0.000) 11.596 5.101 ( -1.975 -6.764 0.000) 7.047 5.101 ( -1.975 -6.764 0.000) 7.047 5.101 ( 1.975 6.764 0.000) 7.047 5.101 ( 1.975 6.764 0.000) 7.047 5.545 ( -0.874 -2.498 0.000) 2.646 5.545 ( -0.874 -2.497 0.000) 2.646 5.545 ( 0.874 2.498 0.000) 2.646 5.545 ( 0.874 2.498 0.000) 2.646 6.405 ( -1.129 -16.449 0.000) 16.487 6.405 ( -1.129 -16.449 0.000) 16.487 6.405 ( 1.129 16.449 0.000) 16.487 6.405 ( 1.129 16.449 0.000) 16.487 6.931 ( -0.118 -18.136 0.000) 18.136 6.931 ( -0.118 -18.136 0.000) 18.136 6.931 ( 0.118 18.136 0.000) 18.136 6.931 ( 0.118 18.136 0.000) 18.136 7.403 ( -0.775 -4.642 -0.000) 4.706 7.403 ( -0.775 -4.642 0.000) 4.706 7.403 ( 0.775 4.642 0.000) 4.706 7.403 ( 0.775 4.642 0.000) 4.706 8.021 ( -4.903 -2.524 -0.000) 5.515 8.021 ( -4.903 -2.524 0.000) 5.515 8.021 ( 4.903 2.524 0.000) 5.515 8.021 ( 4.903 2.524 0.000) 5.515 8.763 ( -4.334 -14.723 0.000) 15.348 8.763 ( -4.334 -14.723 0.000) 15.348 8.763 ( 4.334 14.723 0.000) 15.348 8.763 ( 4.334 14.723 0.000) 15.348 10.239 ( -3.344 -5.004 -0.000) 6.018 10.239 ( -3.344 -5.004 0.000) 6.018 10.239 ( 3.344 5.004 0.000) 6.018 10.239 ( 3.344 5.004 0.000) 6.018 10.725 ( -3.696 -0.126 0.000) 3.698 10.725 ( -3.696 -0.126 0.000) 3.698 10.725 ( 3.696 0.126 0.000) 3.698 10.725 ( 3.696 0.127 0.000) 3.698 11.277 ( -0.045 -7.040 -0.000) 7.040 11.277 ( -0.044 -7.040 0.000) 7.040 11.277 ( 0.045 7.040 0.000) 7.040 11.277 ( 0.045 7.040 0.000) 7.040 11.813 ( -6.724 -0.569 0.000) 6.748 11.813 ( -6.724 -0.569 0.000) 6.748 11.813 ( 6.724 0.569 0.000) 6.748 11.813 ( 6.724 0.569 0.000) 6.748 12.828 ( -9.587 -0.875 0.000) 9.627 12.828 ( -9.587 -0.875 0.000) 9.627 12.828 ( 9.587 0.875 0.000) 9.627 12.828 ( 9.587 0.875 0.000) 9.627 13.350 ( -0.101 -6.663 0.000) 6.664 13.350 ( -0.101 -6.663 0.000) 6.664 13.350 ( 0.101 6.663 0.000) 6.664 13.350 ( 0.101 6.663 0.000) 6.664 14.128 ( -6.905 -1.656 -0.000) 7.101 14.128 ( -6.905 -1.656 0.000) 7.101 14.128 ( 6.905 1.656 0.000) 7.101 14.128 ( 6.905 1.656 0.000) 7.101 15.201 ( -0.204 -11.058 -0.000) 11.060 15.201 ( -0.204 -11.058 0.000) 11.060 15.201 ( 0.204 11.058 0.000) 11.060 15.201 ( 0.204 11.058 0.000) 11.060 15.918 ( -3.599 -0.085 0.000) 3.600 15.918 ( -3.599 -0.085 0.000) 3.600 15.918 ( 3.599 0.085 0.000) 3.600 15.918 ( 3.599 0.085 0.000) 3.600 17.059 ( -0.351 -6.199 0.000) 6.209 17.059 ( -0.351 -6.199 0.000) 6.209 17.059 ( 0.351 6.199 0.000) 6.209 17.059 ( 0.351 6.199 0.000) 6.209 17.579 ( -2.628 -3.016 0.000) 4.001 17.579 ( -2.628 -3.016 0.000) 4.001 17.579 ( 2.628 3.016 0.000) 4.001 17.579 ( 2.628 3.016 0.000) 4.001 18.102 ( -0.062 -17.399 0.000) 17.399 18.102 ( -0.062 -17.399 0.000) 17.399 18.102 ( 0.062 17.399 -0.000) 17.399 18.102 ( 0.062 17.399 0.000) 17.399 20.518 ( -6.724 -12.204 0.000) 13.934 20.518 ( -6.724 -12.204 0.000) 13.934 20.518 ( 6.724 12.204 0.000) 13.934 20.518 ( 6.724 12.204 0.000) 13.934 21.535 ( -0.084 -10.770 0.000) 10.770 21.535 ( -0.084 -10.770 0.000) 10.770 21.535 ( 0.084 10.770 0.000) 10.770 21.535 ( 0.084 10.770 0.000) 10.770 24.626 ( -2.498 -4.273 0.000) 4.949 24.626 ( -2.498 -4.273 0.000) 4.949 24.626 ( 2.498 4.273 0.000) 4.949 24.626 ( 2.498 4.273 0.000) 4.949 25.485 ( -2.266 -1.268 -0.000) 2.597 25.485 ( -2.266 -1.268 0.000) 2.597 25.485 ( 2.266 1.268 0.000) 2.597 25.485 ( 2.266 1.268 0.000) 2.597 27.102 ( -1.946 -10.631 0.000) 10.808 27.102 ( -1.946 -10.631 0.000) 10.808 27.102 ( 1.946 10.631 0.000) 10.808 27.102 ( 1.946 10.631 0.000) 10.808 27.582 ( -6.044 -2.882 0.000) 6.697 27.582 ( -6.044 -2.882 0.000) 6.697 27.582 ( 6.044 2.882 0.000) 6.697 27.582 ( 6.044 2.882 0.000) 6.697 28.127 ( -0.730 -6.277 0.000) 6.319 28.127 ( -0.730 -6.277 0.000) 6.319 28.127 ( 0.730 6.277 0.000) 6.319 28.127 ( 0.730 6.277 0.000) 6.319 28.268 ( -2.032 -4.256 0.000) 4.716 28.268 ( -2.032 -4.256 0.000) 4.716 28.268 ( 2.032 4.256 0.000) 4.716 28.268 ( 2.032 4.256 0.000) 4.716 29.065 ( -0.114 -2.255 0.000) 2.258 29.065 ( -0.114 -2.255 0.000) 2.258 29.065 ( 0.114 2.255 0.000) 2.258 29.065 ( 0.114 2.255 0.000) 2.258 29.366 ( -1.882 -0.000 0.000) 1.882 29.366 ( -1.882 -0.000 0.000) 1.882 29.366 ( 1.882 0.000 0.000) 1.882 29.366 ( 1.882 0.000 0.000) 1.882 29.978 ( -4.397 -1.480 0.000) 4.640 29.978 ( -4.397 -1.480 0.000) 4.640 29.978 ( 4.397 1.480 0.000) 4.640 29.978 ( 4.397 1.480 0.000) 4.640 32.051 ( -1.710 -12.717 0.000) 12.831 32.051 ( -1.710 -12.717 0.000) 12.831 32.051 ( 1.710 12.717 0.000) 12.831 32.051 ( 1.710 12.717 0.000) 12.831 32.742 ( -1.630 -9.110 -0.000) 9.254 32.742 ( -1.630 -9.110 0.000) 9.254 32.742 ( 1.630 9.110 0.000) 9.254 32.742 ( 1.630 9.110 0.000) 9.254 32.981 ( -3.797 -4.706 0.000) 6.047 32.981 ( -3.797 -4.706 0.000) 6.047 32.981 ( 3.797 4.706 -0.000) 6.047 32.981 ( 3.797 4.706 0.000) 6.047 34.599 ( -3.363 -8.631 0.000) 9.263 34.599 ( -3.363 -8.631 0.000) 9.263 34.599 ( 3.363 8.631 0.000) 9.263 34.599 ( 3.363 8.631 0.000) 9.263 =================== 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 3/33696 10.0 3314.768 2369.091 3046.424 0.000 0.000 -0.000 3/33696 20.0 323.087 368.771 547.221 0.000 0.000 -0.000 3/33696 30.0 100.815 123.209 174.693 0.000 0.000 -0.000 3/33696 40.0 50.564 62.978 85.773 0.000 0.000 -0.000 3/33696 50.0 31.913 40.011 52.776 0.000 0.000 -0.000 3/33696 60.0 22.848 28.772 37.018 0.000 0.000 -0.000 3/33696 70.0 17.669 22.353 28.191 0.000 0.000 -0.000 3/33696 80.0 14.380 18.288 22.683 0.000 0.000 -0.000 3/33696 90.0 12.130 15.514 18.971 0.000 0.000 -0.000 3/33696 100.0 10.502 13.513 16.321 0.000 0.000 -0.000 3/33696 110.0 9.274 12.003 14.341 0.000 0.000 -0.000 3/33696 120.0 8.315 10.824 12.808 0.000 0.000 -0.000 3/33696 130.0 7.544 9.877 11.587 0.000 0.000 -0.000 3/33696 140.0 6.912 9.098 10.590 0.000 0.000 -0.000 3/33696 150.0 6.382 8.446 9.760 0.000 0.000 -0.000 3/33696 160.0 5.932 7.890 9.057 0.000 0.000 -0.000 3/33696 170.0 5.544 7.411 8.454 0.000 0.000 -0.000 3/33696 180.0 5.206 6.993 7.930 0.000 0.000 -0.000 3/33696 190.0 4.909 6.624 7.470 0.000 0.000 -0.000 3/33696 200.0 4.645 6.296 7.063 0.000 0.000 -0.000 3/33696 210.0 4.409 6.002 6.700 0.000 0.000 -0.000 3/33696 220.0 4.197 5.737 6.374 0.000 0.000 -0.000 3/33696 230.0 4.005 5.497 6.079 0.000 0.000 -0.000 3/33696 240.0 3.830 5.278 5.812 0.000 0.000 -0.000 3/33696 250.0 3.670 5.077 5.567 0.000 0.000 -0.000 3/33696 260.0 3.523 4.892 5.344 0.000 0.000 -0.000 3/33696 270.0 3.389 4.721 5.138 0.000 0.000 -0.000 3/33696 280.0 3.264 4.563 4.948 0.000 0.000 -0.000 3/33696 290.0 3.148 4.415 4.772 0.000 0.000 -0.000 3/33696 300.0 3.041 4.278 4.608 0.000 0.000 -0.000 3/33696 310.0 2.941 4.149 4.456 0.000 0.000 -0.000 3/33696 320.0 2.847 4.029 4.313 0.000 0.000 -0.000 3/33696 330.0 2.759 3.916 4.180 0.000 0.000 -0.000 3/33696 340.0 2.677 3.809 4.055 0.000 0.000 -0.000 3/33696 350.0 2.600 3.708 3.938 0.000 0.000 -0.000 3/33696 360.0 2.527 3.613 3.827 0.000 0.000 -0.000 3/33696 370.0 2.458 3.522 3.723 0.000 0.000 -0.000 3/33696 380.0 2.393 3.437 3.624 0.000 0.000 -0.000 3/33696 390.0 2.331 3.355 3.530 0.000 0.000 -0.000 3/33696 400.0 2.272 3.278 3.442 0.000 0.000 -0.000 3/33696 410.0 2.217 3.204 3.358 0.000 0.000 -0.000 3/33696 420.0 2.164 3.133 3.277 0.000 0.000 -0.000 3/33696 430.0 2.114 3.066 3.201 0.000 0.000 -0.000 3/33696 440.0 2.066 3.002 3.129 0.000 0.000 -0.000 3/33696 450.0 2.020 2.940 3.059 0.000 0.000 -0.000 3/33696 460.0 1.976 2.881 2.993 0.000 0.000 -0.000 3/33696 470.0 1.934 2.824 2.929 0.000 0.000 -0.000 3/33696 480.0 1.894 2.769 2.869 0.000 0.000 -0.000 3/33696 490.0 1.856 2.717 2.810 0.000 0.000 -0.000 3/33696 500.0 1.819 2.666 2.754 0.000 0.000 -0.000 3/33696 510.0 1.783 2.618 2.701 0.000 0.000 -0.000 3/33696 520.0 1.749 2.571 2.649 0.000 0.000 -0.000 3/33696 530.0 1.716 2.526 2.600 0.000 0.000 -0.000 3/33696 540.0 1.685 2.482 2.552 0.000 0.000 -0.000 3/33696 550.0 1.654 2.440 2.506 0.000 0.000 -0.000 3/33696 560.0 1.625 2.399 2.462 0.000 0.000 -0.000 3/33696 570.0 1.597 2.360 2.419 0.000 0.000 -0.000 3/33696 580.0 1.570 2.322 2.377 0.000 0.000 -0.000 3/33696 590.0 1.543 2.285 2.338 0.000 0.000 -0.000 3/33696 600.0 1.518 2.250 2.299 0.000 0.000 -0.000 3/33696 610.0 1.493 2.215 2.262 0.000 0.000 -0.000 3/33696 620.0 1.469 2.181 2.226 0.000 0.000 -0.000 3/33696 630.0 1.446 2.149 2.191 0.000 0.000 -0.000 3/33696 640.0 1.424 2.117 2.157 0.000 0.000 -0.000 3/33696 650.0 1.402 2.087 2.124 0.000 0.000 -0.000 3/33696 660.0 1.381 2.057 2.092 0.000 0.000 -0.000 3/33696 670.0 1.361 2.028 2.061 0.000 0.000 -0.000 3/33696 680.0 1.341 2.000 2.031 0.000 0.000 -0.000 3/33696 690.0 1.322 1.972 2.002 0.000 0.000 -0.000 3/33696 700.0 1.303 1.946 1.974 0.000 0.000 -0.000 3/33696 710.0 1.285 1.920 1.947 0.000 0.000 -0.000 3/33696 720.0 1.267 1.895 1.920 0.000 0.000 -0.000 3/33696 730.0 1.250 1.870 1.894 0.000 0.000 -0.000 3/33696 740.0 1.233 1.846 1.869 0.000 0.000 -0.000 3/33696 750.0 1.217 1.823 1.844 0.000 0.000 -0.000 3/33696 760.0 1.201 1.800 1.820 0.000 0.000 -0.000 3/33696 770.0 1.186 1.778 1.797 0.000 0.000 -0.000 3/33696 780.0 1.171 1.756 1.774 0.000 0.000 -0.000 3/33696 790.0 1.156 1.735 1.752 0.000 0.000 -0.000 3/33696 800.0 1.142 1.714 1.730 0.000 0.000 -0.000 3/33696 810.0 1.128 1.694 1.709 0.000 0.000 -0.000 3/33696 820.0 1.114 1.674 1.689 0.000 0.000 -0.000 3/33696 830.0 1.101 1.655 1.668 0.000 0.000 -0.000 3/33696 840.0 1.088 1.636 1.649 0.000 0.000 -0.000 3/33696 850.0 1.075 1.618 1.630 0.000 0.000 -0.000 3/33696 860.0 1.063 1.600 1.611 0.000 0.000 -0.000 3/33696 870.0 1.051 1.582 1.593 0.000 0.000 -0.000 3/33696 880.0 1.039 1.565 1.575 0.000 0.000 -0.000 3/33696 890.0 1.028 1.548 1.557 0.000 0.000 -0.000 3/33696 900.0 1.016 1.532 1.540 0.000 0.000 -0.000 3/33696 910.0 1.005 1.516 1.523 0.000 0.000 -0.000 3/33696 920.0 0.995 1.500 1.507 0.000 0.000 -0.000 3/33696 930.0 0.984 1.484 1.491 0.000 0.000 -0.000 3/33696 940.0 0.974 1.469 1.475 0.000 0.000 -0.000 3/33696 950.0 0.963 1.454 1.460 0.000 0.000 -0.000 3/33696 960.0 0.954 1.440 1.445 0.000 0.000 -0.000 3/33696 970.0 0.944 1.425 1.430 0.000 0.000 -0.000 3/33696 980.0 0.934 1.411 1.416 0.000 0.000 -0.000 3/33696 990.0 0.925 1.398 1.402 0.000 0.000 -0.000 3/33696 1000.0 0.916 1.384 1.388 0.000 0.000 -0.000 3/33696 Thermal conductivity related properties were written into "kappa-m666.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:41:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|