----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:59:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.902652190856640 0.000000000000000 0.000000000000000 b 0.000000000000000 8.656063600000001 0.000000000000000 c -2.281833811324363 0.000000000000000 12.105086082721273 Atomic positions (fractional): *1 Ca 0.33138417686859 0.37912716453603 0.88314107530835 40.078 2 Ca 0.66861582313141 0.62087283546397 0.11685892469165 40.078 *3 Ca 0.29630052699588 0.88283750577194 0.86174238540376 40.078 4 Ca 0.33138417686859 0.12087283546397 0.38314107530835 40.078 5 Ca 0.70369947300412 0.38283750577194 0.63825761459624 40.078 6 Ca 0.29630052699588 0.61716249422806 0.36174238540376 40.078 7 Ca 0.70369947300412 0.11716249422806 0.13825761459624 40.078 8 Ca 0.66861582313141 0.87912716453603 0.61685892469165 40.078 *9 B 0.29054979656933 0.36632990831630 0.15582422735571 10.811 10 B 0.29054979656933 0.13367009168370 0.65582422735571 10.811 11 B 0.70945020343067 0.63367009168370 0.84417577264429 10.811 12 B 0.70945020343067 0.86632990831630 0.34417577264429 10.811 *13 Cl 0.80425494319274 0.12626815302009 0.91249111293246 35.453 14 Cl 0.19574505680726 0.87373184697991 0.08750888706754 35.453 15 Cl 0.19574505680726 0.62626815302009 0.58750888706754 35.453 16 Cl 0.80425494319274 0.37373184697991 0.41249111293246 35.453 *17 O 0.19832806641351 0.51114036795001 0.18852068285983 15.999 18 O 0.80167193358649 0.01114036795001 0.31147931714017 15.999 *19 O 0.22367351944830 0.22867543772822 0.20501071548299 15.999 *20 O 0.48641238184295 0.35961632919060 0.07227600064039 15.999 21 O 0.19832806641351 0.98885963204999 0.68852068285983 15.999 22 O 0.22367351944830 0.27132456227178 0.70501071548299 15.999 23 O 0.80167193358649 0.48885963204999 0.81147931714017 15.999 24 O 0.77632648055170 0.72867543772822 0.29498928451701 15.999 25 O 0.51358761815705 0.64038367080940 0.92772399935961 15.999 26 O 0.51358761815705 0.85961632919060 0.42772399935961 15.999 27 O 0.48641238184295 0.14038367080940 0.57227600064039 15.999 28 O 0.77632648055170 0.77132456227178 0.79498928451701 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.902652190856640 0.000000000000000 0.000000000000000 b 0.000000000000000 8.656063600000001 0.000000000000000 c -2.281833811324363 0.000000000000000 12.105086082721273 Atomic positions (fractional): *1 Ca 0.33138417686859 0.37912716453603 0.88314107530835 40.078 > 1 2 Ca 0.66861582313141 0.62087283546397 0.11685892469165 40.078 > 2 *3 Ca 0.29630052699588 0.88283750577194 0.86174238540376 40.078 > 3 4 Ca 0.33138417686859 0.12087283546397 0.38314107530835 40.078 > 4 5 Ca 0.70369947300412 0.38283750577194 0.63825761459624 40.078 > 5 6 Ca 0.29630052699588 0.61716249422806 0.36174238540376 40.078 > 6 7 Ca 0.70369947300412 0.11716249422806 0.13825761459624 40.078 > 7 8 Ca 0.66861582313141 0.87912716453603 0.61685892469165 40.078 > 8 *9 B 0.29054979656933 0.36632990831630 0.15582422735571 10.811 > 9 10 B 0.29054979656933 0.13367009168370 0.65582422735571 10.811 > 10 11 B 0.70945020343067 0.63367009168370 0.84417577264429 10.811 > 11 12 B 0.70945020343067 0.86632990831630 0.34417577264429 10.811 > 12 *13 Cl 0.80425494319274 0.12626815302009 0.91249111293246 35.453 > 13 14 Cl 0.19574505680726 0.87373184697991 0.08750888706754 35.453 > 14 15 Cl 0.19574505680726 0.62626815302009 0.58750888706754 35.453 > 15 16 Cl 0.80425494319274 0.37373184697991 0.41249111293246 35.453 > 16 *17 O 0.19832806641351 0.51114036795001 0.18852068285983 15.999 > 17 18 O 0.80167193358649 0.01114036795001 0.31147931714017 15.999 > 18 *19 O 0.22367351944830 0.22867543772822 0.20501071548299 15.999 > 19 *20 O 0.48641238184295 0.35961632919060 0.07227600064039 15.999 > 20 21 O 0.19832806641351 0.98885963204999 0.68852068285983 15.999 > 21 22 O 0.22367351944830 0.27132456227178 0.70501071548299 15.999 > 22 23 O 0.80167193358649 0.48885963204999 0.81147931714017 15.999 > 23 24 O 0.77632648055170 0.72867543772822 0.29498928451701 15.999 > 24 25 O 0.51358761815705 0.64038367080940 0.92772399935961 15.999 > 25 26 O 0.51358761815705 0.85961632919060 0.42772399935961 15.999 > 26 27 O 0.48641238184295 0.14038367080940 0.57227600064039 15.999 > 27 28 O 0.77632648055170 0.77132456227178 0.79498928451701 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.707956572569920 0.000000000000000 0.000000000000000 b 0.000000000000000 8.656063600000001 0.000000000000000 c -2.281833811324363 0.000000000000000 12.105086082721273 Atomic positions (fractional): *1 Ca 0.11046139228953 0.37912716453603 0.88314107530835 40.078 > 1 2 Ca 0.44379472562286 0.37912716453603 0.88314107530835 40.078 > 1 3 Ca 0.77712805895620 0.37912716453603 0.88314107530835 40.078 > 1 4 Ca 0.22287194104380 0.62087283546397 0.11685892469165 40.078 > 2 5 Ca 0.55620527437714 0.62087283546397 0.11685892469165 40.078 > 2 6 Ca 0.88953860771047 0.62087283546397 0.11685892469165 40.078 > 2 *7 Ca 0.09876684233196 0.88283750577194 0.86174238540376 40.078 > 3 8 Ca 0.43210017566529 0.88283750577194 0.86174238540376 40.078 > 3 9 Ca 0.76543350899863 0.88283750577194 0.86174238540376 40.078 > 3 10 Ca 0.11046139228953 0.12087283546397 0.38314107530835 40.078 > 4 11 Ca 0.44379472562286 0.12087283546397 0.38314107530835 40.078 > 4 12 Ca 0.77712805895620 0.12087283546397 0.38314107530835 40.078 > 4 13 Ca 0.23456649100137 0.38283750577194 0.63825761459624 40.078 > 5 14 Ca 0.56789982433471 0.38283750577194 0.63825761459624 40.078 > 5 15 Ca 0.90123315766804 0.38283750577194 0.63825761459624 40.078 > 5 16 Ca 0.09876684233196 0.61716249422806 0.36174238540376 40.078 > 6 17 Ca 0.43210017566529 0.61716249422806 0.36174238540376 40.078 > 6 18 Ca 0.76543350899863 0.61716249422806 0.36174238540376 40.078 > 6 19 Ca 0.23456649100137 0.11716249422806 0.13825761459624 40.078 > 7 20 Ca 0.56789982433471 0.11716249422806 0.13825761459624 40.078 > 7 21 Ca 0.90123315766804 0.11716249422806 0.13825761459624 40.078 > 7 22 Ca 0.22287194104380 0.87912716453603 0.61685892469165 40.078 > 8 23 Ca 0.55620527437714 0.87912716453603 0.61685892469165 40.078 > 8 24 Ca 0.88953860771047 0.87912716453603 0.61685892469165 40.078 > 8 *25 B 0.09684993218978 0.36632990831630 0.15582422735571 10.811 > 9 26 B 0.43018326552311 0.36632990831630 0.15582422735571 10.811 > 9 27 B 0.76351659885644 0.36632990831630 0.15582422735571 10.811 > 9 28 B 0.09684993218978 0.13367009168370 0.65582422735571 10.811 > 10 29 B 0.43018326552311 0.13367009168370 0.65582422735571 10.811 > 10 30 B 0.76351659885644 0.13367009168370 0.65582422735571 10.811 > 10 31 B 0.23648340114356 0.63367009168370 0.84417577264429 10.811 > 11 32 B 0.56981673447689 0.63367009168370 0.84417577264429 10.811 > 11 33 B 0.90315006781022 0.63367009168370 0.84417577264429 10.811 > 11 34 B 0.23648340114356 0.86632990831630 0.34417577264429 10.811 > 12 35 B 0.56981673447689 0.86632990831630 0.34417577264429 10.811 > 12 36 B 0.90315006781022 0.86632990831630 0.34417577264429 10.811 > 12 *37 Cl 0.26808498106425 0.12626815302009 0.91249111293246 35.453 > 13 38 Cl 0.60141831439758 0.12626815302009 0.91249111293246 35.453 > 13 39 Cl 0.93475164773091 0.12626815302009 0.91249111293246 35.453 > 13 40 Cl 0.06524835226909 0.87373184697991 0.08750888706754 35.453 > 14 41 Cl 0.39858168560242 0.87373184697991 0.08750888706754 35.453 > 14 42 Cl 0.73191501893575 0.87373184697991 0.08750888706754 35.453 > 14 43 Cl 0.06524835226909 0.62626815302009 0.58750888706754 35.453 > 15 44 Cl 0.39858168560242 0.62626815302009 0.58750888706754 35.453 > 15 45 Cl 0.73191501893575 0.62626815302009 0.58750888706754 35.453 > 15 46 Cl 0.26808498106425 0.37373184697991 0.41249111293246 35.453 > 16 47 Cl 0.60141831439758 0.37373184697991 0.41249111293246 35.453 > 16 48 Cl 0.93475164773091 0.37373184697991 0.41249111293246 35.453 > 16 *49 O 0.06610935547117 0.51114036795001 0.18852068285983 15.999 > 17 50 O 0.39944268880450 0.51114036795001 0.18852068285983 15.999 > 17 51 O 0.73277602213784 0.51114036795001 0.18852068285983 15.999 > 17 52 O 0.26722397786216 0.01114036795001 0.31147931714017 15.999 > 18 53 O 0.60055731119550 0.01114036795001 0.31147931714017 15.999 > 18 54 O 0.93389064452883 0.01114036795001 0.31147931714017 15.999 > 18 *55 O 0.07455783981610 0.22867543772822 0.20501071548299 15.999 > 19 56 O 0.40789117314943 0.22867543772822 0.20501071548299 15.999 > 19 57 O 0.74122450648277 0.22867543772822 0.20501071548299 15.999 > 19 *58 O 0.16213746061432 0.35961632919060 0.07227600064039 15.999 > 20 59 O 0.49547079394765 0.35961632919060 0.07227600064039 15.999 > 20 60 O 0.82880412728098 0.35961632919060 0.07227600064039 15.999 > 20 61 O 0.06610935547117 0.98885963204999 0.68852068285983 15.999 > 21 62 O 0.39944268880450 0.98885963204999 0.68852068285983 15.999 > 21 63 O 0.73277602213784 0.98885963204999 0.68852068285983 15.999 > 21 64 O 0.07455783981610 0.27132456227178 0.70501071548299 15.999 > 22 65 O 0.40789117314943 0.27132456227178 0.70501071548299 15.999 > 22 66 O 0.74122450648277 0.27132456227178 0.70501071548299 15.999 > 22 67 O 0.26722397786216 0.48885963204999 0.81147931714017 15.999 > 23 68 O 0.60055731119550 0.48885963204999 0.81147931714017 15.999 > 23 69 O 0.93389064452883 0.48885963204999 0.81147931714017 15.999 > 23 70 O 0.25877549351723 0.72867543772822 0.29498928451701 15.999 > 24 71 O 0.59210882685057 0.72867543772822 0.29498928451701 15.999 > 24 72 O 0.92544216018390 0.72867543772822 0.29498928451701 15.999 > 24 73 O 0.17119587271902 0.64038367080940 0.92772399935961 15.999 > 25 74 O 0.50452920605235 0.64038367080940 0.92772399935961 15.999 > 25 75 O 0.83786253938568 0.64038367080940 0.92772399935961 15.999 > 25 76 O 0.17119587271902 0.85961632919060 0.42772399935961 15.999 > 26 77 O 0.50452920605235 0.85961632919060 0.42772399935961 15.999 > 26 78 O 0.83786253938568 0.85961632919060 0.42772399935961 15.999 > 26 79 O 0.16213746061432 0.14038367080940 0.57227600064039 15.999 > 27 80 O 0.49547079394765 0.14038367080940 0.57227600064039 15.999 > 27 81 O 0.82880412728098 0.14038367080940 0.57227600064039 15.999 > 27 82 O 0.25877549351723 0.77132456227178 0.79498928451701 15.999 > 28 83 O 0.59210882685057 0.77132456227178 0.79498928451701 15.999 > 28 84 O 0.92544216018390 0.77132456227178 0.79498928451701 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1241242 0.0000000 -0.0867693 0.0000000 3.2248778 0.0000000 -0.0867703 0.0000000 3.0595480 -------------------------- Born effective charges -------------------------- 1 Ca 2.3390932 0.0595325 0.0390163 0.0105636 2.4236347 0.0509420 0.0893552 -0.0350932 2.4622605 2 Ca 2.3390932 0.0595325 0.0390163 0.0105636 2.4236347 0.0509420 0.0893552 -0.0350932 2.4622605 3 Ca 2.5094925 -0.0568726 0.0060631 -0.0128450 2.3476109 -0.1214868 -0.0021210 -0.0665857 2.2666556 4 Ca 2.3390932 -0.0595325 0.0390163 -0.0105636 2.4236347 -0.0509420 0.0893552 0.0350932 2.4622605 5 Ca 2.5094925 0.0568726 0.0060631 0.0128450 2.3476109 0.1214868 -0.0021210 0.0665857 2.2666556 6 Ca 2.5094925 0.0568726 0.0060631 0.0128450 2.3476109 0.1214868 -0.0021210 0.0665857 2.2666556 7 Ca 2.5094925 -0.0568726 0.0060631 -0.0128450 2.3476109 -0.1214868 -0.0021210 -0.0665857 2.2666556 8 Ca 2.3390932 -0.0595325 0.0390163 -0.0105636 2.4236347 -0.0509420 0.0893552 0.0350932 2.4622605 9 B 1.4793116 -0.0609717 -0.9806926 -0.1373229 2.8810507 -0.0588718 -1.0204639 -0.0685620 1.6401466 10 B 1.4793116 0.0609717 -0.9806926 0.1373229 2.8810507 0.0588718 -1.0204639 0.0685620 1.6401466 11 B 1.4793116 -0.0609717 -0.9806926 -0.1373229 2.8810507 -0.0588718 -1.0204639 -0.0685620 1.6401466 12 B 1.4793116 0.0609717 -0.9806926 0.1373229 2.8810507 0.0588718 -1.0204639 0.0685620 1.6401466 13 Cl -1.2922905 0.0000273 0.0447455 -0.0062848 -1.2518909 0.0132740 0.0470366 0.0241615 -0.9794974 14 Cl -1.2922905 0.0000273 0.0447455 -0.0062848 -1.2518909 0.0132740 0.0470366 0.0241615 -0.9794974 15 Cl -1.2922905 -0.0000273 0.0447455 0.0062848 -1.2518909 -0.0132740 0.0470366 -0.0241615 -0.9794974 16 Cl -1.2922905 -0.0000273 0.0447455 0.0062848 -1.2518909 -0.0132740 0.0470366 -0.0241615 -0.9794974 17 O -1.6936822 0.3395068 0.1647254 0.3875140 -2.3601372 -0.3675057 0.1851035 -0.2973766 -1.5882973 18 O -1.6936822 -0.3395068 0.1647254 -0.3875140 -2.3601372 0.3675057 0.1851035 0.2973766 -1.5882973 19 O -1.7474674 -0.3145015 0.1502820 -0.3152198 -2.2293749 0.3978600 0.1847259 0.3615706 -1.6916764 20 O -1.5944571 0.0477398 0.5758602 0.0805440 -1.8108934 -0.0322839 0.5163636 0.0309527 -2.1095916 21 O -1.6936822 -0.3395068 0.1647254 -0.3875140 -2.3601372 0.3675057 0.1851035 0.2973766 -1.5882973 22 O -1.7474674 0.3145015 0.1502820 0.3152198 -2.2293749 -0.3978600 0.1847259 -0.3615706 -1.6916764 23 O -1.6936822 0.3395068 0.1647254 0.3875140 -2.3601372 -0.3675057 0.1851035 -0.2973766 -1.5882973 24 O -1.7474674 0.3145015 0.1502820 0.3152198 -2.2293749 -0.3978600 0.1847259 -0.3615706 -1.6916764 25 O -1.5944571 0.0477398 0.5758602 0.0805440 -1.8108934 -0.0322839 0.5163636 0.0309527 -2.1095916 26 O -1.5944571 -0.0477398 0.5758602 -0.0805440 -1.8108934 0.0322839 0.5163636 -0.0309527 -2.1095916 27 O -1.5944571 -0.0477398 0.5758602 -0.0805440 -1.8108934 0.0322839 0.5163636 -0.0309527 -2.1095916 28 O -1.7474674 -0.3145015 0.1502820 -0.3152198 -2.2293749 0.3978600 0.1847259 0.3615706 -1.6916764 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2730 Number of blocks in projector: 2730 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: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 236 eigenvectors found. (2) Block: 500 / 588 (2) 237 eigenvectors found. (2) Block: 588 / 588 (2) 78 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 236 eigenvectors found. (2) Block: 500 / 588 (2) 237 eigenvectors found. (2) Block: 588 / 588 (2) 78 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 237 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 83 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 322 Use standard eigh solver. Tree of FC basis block matrices: - (2730, 2668), data: False |-- (322, 315), data: True |-- (322, 315), data: True |-- (322, 315), data: True |-- (588, 575), data: False |-- (588, 575), data: False |-- (588, 16), data: (588, 29) @ (29, 16) |-- (88, 83), data: True |-- (250, 239), data: True |-- (250, 237), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 23), data: (588, 37) @ (37, 23) |-- (88, 78), data: True |-- (250, 237), data: True |-- (250, 236), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 23), data: (588, 37) @ (37, 23) |-- (88, 78), data: True |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 880 - Time: 0.535 Solver_block: 200 / 880 - Time: 0.454 Solver_block: 300 / 880 - Time: 0.456 Solver_block: 400 / 880 - Time: 0.454 Solver_block: 500 / 880 - Time: 0.457 Solver_block: 600 / 880 - Time: 0.457 Solver_block: 700 / 880 - Time: 0.458 Solver_block: 800 / 880 - Time: 0.455 Solver_block: 880 / 880 - Time: 0.408 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.244 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2730 Number of blocks in projector: 2730 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: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 236 eigenvectors found. (2) Block: 500 / 588 (2) 237 eigenvectors found. (2) Block: 588 / 588 (2) 78 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 236 eigenvectors found. (2) Block: 500 / 588 (2) 237 eigenvectors found. (2) Block: 588 / 588 (2) 78 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 588 Use submatrix version of eigh solver. (1) Block: 588 / 588 (2) Block: 250 / 588 (2) 237 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 83 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 322 Use standard eigh solver. Tree of FC basis block matrices: - (2730, 2668), data: False |-- (322, 315), data: True |-- (322, 315), data: True |-- (322, 315), data: True |-- (588, 575), data: False |-- (588, 575), data: False |-- (588, 16), data: (588, 29) @ (29, 16) |-- (88, 83), data: True |-- (250, 239), data: True |-- (250, 237), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 23), data: (588, 37) @ (37, 23) |-- (88, 78), data: True |-- (250, 237), data: True |-- (250, 236), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 23), data: (588, 37) @ (37, 23) |-- (88, 78), data: True |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:00:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:00:16]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.902652190856640 0.000000000000000 0.000000000000000 b 0.000000000000000 8.656063600000001 0.000000000000000 c -2.281833811324363 0.000000000000000 12.105086082721273 Atomic positions (fractional): 1 Ca 0.33138417686859 0.37912716453603 0.88314107530835 40.078 2 Ca 0.66861582313141 0.62087283546397 0.11685892469165 40.078 3 Ca 0.29630052699588 0.88283750577194 0.86174238540376 40.078 4 Ca 0.33138417686859 0.12087283546397 0.38314107530835 40.078 5 Ca 0.70369947300412 0.38283750577194 0.63825761459624 40.078 6 Ca 0.29630052699588 0.61716249422806 0.36174238540376 40.078 7 Ca 0.70369947300412 0.11716249422806 0.13825761459624 40.078 8 Ca 0.66861582313141 0.87912716453603 0.61685892469165 40.078 9 B 0.29054979656933 0.36632990831630 0.15582422735571 10.811 10 B 0.29054979656933 0.13367009168370 0.65582422735571 10.811 11 B 0.70945020343067 0.63367009168370 0.84417577264429 10.811 12 B 0.70945020343067 0.86632990831630 0.34417577264429 10.811 13 Cl 0.80425494319274 0.12626815302009 0.91249111293246 35.453 14 Cl 0.19574505680726 0.87373184697991 0.08750888706754 35.453 15 Cl 0.19574505680726 0.62626815302009 0.58750888706754 35.453 16 Cl 0.80425494319274 0.37373184697991 0.41249111293246 35.453 17 O 0.19832806641351 0.51114036795001 0.18852068285983 15.999 18 O 0.80167193358649 0.01114036795001 0.31147931714017 15.999 19 O 0.22367351944830 0.22867543772822 0.20501071548299 15.999 20 O 0.48641238184295 0.35961632919060 0.07227600064039 15.999 21 O 0.19832806641351 0.98885963204999 0.68852068285983 15.999 22 O 0.22367351944830 0.27132456227178 0.70501071548299 15.999 23 O 0.80167193358649 0.48885963204999 0.81147931714017 15.999 24 O 0.77632648055170 0.72867543772822 0.29498928451701 15.999 25 O 0.51358761815705 0.64038367080940 0.92772399935961 15.999 26 O 0.51358761815705 0.85961632919060 0.42772399935961 15.999 27 O 0.48641238184295 0.14038367080940 0.57227600064039 15.999 28 O 0.77632648055170 0.77132456227178 0.79498928451701 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.707956572569920 0.000000000000000 0.000000000000000 b 0.000000000000000 8.656063600000001 0.000000000000000 c -2.281833811324363 0.000000000000000 12.105086082721273 Atomic positions (fractional): 1 Ca 0.11046139228953 0.37912716453603 0.88314107530835 40.078 > 1 2 Ca 0.44379472562286 0.37912716453603 0.88314107530835 40.078 > 1 3 Ca 0.77712805895620 0.37912716453603 0.88314107530835 40.078 > 1 4 Ca 0.22287194104380 0.62087283546397 0.11685892469165 40.078 > 4 5 Ca 0.55620527437714 0.62087283546397 0.11685892469165 40.078 > 4 6 Ca 0.88953860771047 0.62087283546397 0.11685892469165 40.078 > 4 7 Ca 0.09876684233196 0.88283750577194 0.86174238540376 40.078 > 7 8 Ca 0.43210017566529 0.88283750577194 0.86174238540376 40.078 > 7 9 Ca 0.76543350899863 0.88283750577194 0.86174238540376 40.078 > 7 10 Ca 0.11046139228953 0.12087283546397 0.38314107530835 40.078 > 10 11 Ca 0.44379472562286 0.12087283546397 0.38314107530835 40.078 > 10 12 Ca 0.77712805895620 0.12087283546397 0.38314107530835 40.078 > 10 13 Ca 0.23456649100137 0.38283750577194 0.63825761459624 40.078 > 13 14 Ca 0.56789982433471 0.38283750577194 0.63825761459624 40.078 > 13 15 Ca 0.90123315766804 0.38283750577194 0.63825761459624 40.078 > 13 16 Ca 0.09876684233196 0.61716249422806 0.36174238540376 40.078 > 16 17 Ca 0.43210017566529 0.61716249422806 0.36174238540376 40.078 > 16 18 Ca 0.76543350899863 0.61716249422806 0.36174238540376 40.078 > 16 19 Ca 0.23456649100137 0.11716249422806 0.13825761459624 40.078 > 19 20 Ca 0.56789982433471 0.11716249422806 0.13825761459624 40.078 > 19 21 Ca 0.90123315766804 0.11716249422806 0.13825761459624 40.078 > 19 22 Ca 0.22287194104380 0.87912716453603 0.61685892469165 40.078 > 22 23 Ca 0.55620527437714 0.87912716453603 0.61685892469165 40.078 > 22 24 Ca 0.88953860771047 0.87912716453603 0.61685892469165 40.078 > 22 25 B 0.09684993218978 0.36632990831630 0.15582422735571 10.811 > 25 26 B 0.43018326552311 0.36632990831630 0.15582422735571 10.811 > 25 27 B 0.76351659885644 0.36632990831630 0.15582422735571 10.811 > 25 28 B 0.09684993218978 0.13367009168370 0.65582422735571 10.811 > 28 29 B 0.43018326552311 0.13367009168370 0.65582422735571 10.811 > 28 30 B 0.76351659885644 0.13367009168370 0.65582422735571 10.811 > 28 31 B 0.23648340114356 0.63367009168370 0.84417577264429 10.811 > 31 32 B 0.56981673447689 0.63367009168370 0.84417577264429 10.811 > 31 33 B 0.90315006781022 0.63367009168370 0.84417577264429 10.811 > 31 34 B 0.23648340114356 0.86632990831630 0.34417577264429 10.811 > 34 35 B 0.56981673447689 0.86632990831630 0.34417577264429 10.811 > 34 36 B 0.90315006781022 0.86632990831630 0.34417577264429 10.811 > 34 37 Cl 0.26808498106425 0.12626815302009 0.91249111293246 35.453 > 37 38 Cl 0.60141831439758 0.12626815302009 0.91249111293246 35.453 > 37 39 Cl 0.93475164773091 0.12626815302009 0.91249111293246 35.453 > 37 40 Cl 0.06524835226909 0.87373184697991 0.08750888706754 35.453 > 40 41 Cl 0.39858168560242 0.87373184697991 0.08750888706754 35.453 > 40 42 Cl 0.73191501893575 0.87373184697991 0.08750888706754 35.453 > 40 43 Cl 0.06524835226909 0.62626815302009 0.58750888706754 35.453 > 43 44 Cl 0.39858168560242 0.62626815302009 0.58750888706754 35.453 > 43 45 Cl 0.73191501893575 0.62626815302009 0.58750888706754 35.453 > 43 46 Cl 0.26808498106425 0.37373184697991 0.41249111293246 35.453 > 46 47 Cl 0.60141831439758 0.37373184697991 0.41249111293246 35.453 > 46 48 Cl 0.93475164773091 0.37373184697991 0.41249111293246 35.453 > 46 49 O 0.06610935547117 0.51114036795001 0.18852068285983 15.999 > 49 50 O 0.39944268880450 0.51114036795001 0.18852068285983 15.999 > 49 51 O 0.73277602213784 0.51114036795001 0.18852068285983 15.999 > 49 52 O 0.26722397786216 0.01114036795001 0.31147931714017 15.999 > 52 53 O 0.60055731119550 0.01114036795001 0.31147931714017 15.999 > 52 54 O 0.93389064452883 0.01114036795001 0.31147931714017 15.999 > 52 55 O 0.07455783981610 0.22867543772822 0.20501071548299 15.999 > 55 56 O 0.40789117314943 0.22867543772822 0.20501071548299 15.999 > 55 57 O 0.74122450648277 0.22867543772822 0.20501071548299 15.999 > 55 58 O 0.16213746061432 0.35961632919060 0.07227600064039 15.999 > 58 59 O 0.49547079394765 0.35961632919060 0.07227600064039 15.999 > 58 60 O 0.82880412728098 0.35961632919060 0.07227600064039 15.999 > 58 61 O 0.06610935547117 0.98885963204999 0.68852068285983 15.999 > 61 62 O 0.39944268880450 0.98885963204999 0.68852068285983 15.999 > 61 63 O 0.73277602213784 0.98885963204999 0.68852068285983 15.999 > 61 64 O 0.07455783981610 0.27132456227178 0.70501071548299 15.999 > 64 65 O 0.40789117314943 0.27132456227178 0.70501071548299 15.999 > 64 66 O 0.74122450648277 0.27132456227178 0.70501071548299 15.999 > 64 67 O 0.26722397786216 0.48885963204999 0.81147931714017 15.999 > 67 68 O 0.60055731119550 0.48885963204999 0.81147931714017 15.999 > 67 69 O 0.93389064452883 0.48885963204999 0.81147931714017 15.999 > 67 70 O 0.25877549351723 0.72867543772822 0.29498928451701 15.999 > 70 71 O 0.59210882685057 0.72867543772822 0.29498928451701 15.999 > 70 72 O 0.92544216018390 0.72867543772822 0.29498928451701 15.999 > 70 73 O 0.17119587271902 0.64038367080940 0.92772399935961 15.999 > 73 74 O 0.50452920605235 0.64038367080940 0.92772399935961 15.999 > 73 75 O 0.83786253938568 0.64038367080940 0.92772399935961 15.999 > 73 76 O 0.17119587271902 0.85961632919060 0.42772399935961 15.999 > 76 77 O 0.50452920605235 0.85961632919060 0.42772399935961 15.999 > 76 78 O 0.83786253938568 0.85961632919060 0.42772399935961 15.999 > 76 79 O 0.16213746061432 0.14038367080940 0.57227600064039 15.999 > 79 80 O 0.49547079394765 0.14038367080940 0.57227600064039 15.999 > 79 81 O 0.82880412728098 0.14038367080940 0.57227600064039 15.999 > 79 82 O 0.25877549351723 0.77132456227178 0.79498928451701 15.999 > 82 83 O 0.59210882685057 0.77132456227178 0.79498928451701 15.999 > 82 84 O 0.92544216018390 0.77132456227178 0.79498928451701 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1241242 0.0000000 -0.0867693 0.0000000 3.2248778 0.0000000 -0.0867703 0.0000000 3.0595480 -------------------------- Born effective charges -------------------------- 1 Ca 2.3390932 0.0595325 0.0390163 0.0105636 2.4236347 0.0509420 0.0893552 -0.0350932 2.4622605 2 Ca 2.3390932 0.0595325 0.0390163 0.0105636 2.4236347 0.0509420 0.0893552 -0.0350932 2.4622605 3 Ca 2.5094925 -0.0568726 0.0060631 -0.0128450 2.3476109 -0.1214868 -0.0021210 -0.0665857 2.2666556 4 Ca 2.3390932 -0.0595325 0.0390163 -0.0105636 2.4236347 -0.0509420 0.0893552 0.0350932 2.4622605 5 Ca 2.5094925 0.0568726 0.0060631 0.0128450 2.3476109 0.1214868 -0.0021210 0.0665857 2.2666556 6 Ca 2.5094925 0.0568726 0.0060631 0.0128450 2.3476109 0.1214868 -0.0021210 0.0665857 2.2666556 7 Ca 2.5094925 -0.0568726 0.0060631 -0.0128450 2.3476109 -0.1214868 -0.0021210 -0.0665857 2.2666556 8 Ca 2.3390932 -0.0595325 0.0390163 -0.0105636 2.4236347 -0.0509420 0.0893552 0.0350932 2.4622605 9 B 1.4793116 -0.0609717 -0.9806926 -0.1373229 2.8810507 -0.0588718 -1.0204639 -0.0685620 1.6401466 10 B 1.4793116 0.0609717 -0.9806926 0.1373229 2.8810507 0.0588718 -1.0204639 0.0685620 1.6401466 11 B 1.4793116 -0.0609717 -0.9806926 -0.1373229 2.8810507 -0.0588718 -1.0204639 -0.0685620 1.6401466 12 B 1.4793116 0.0609717 -0.9806926 0.1373229 2.8810507 0.0588718 -1.0204639 0.0685620 1.6401466 13 Cl -1.2922905 0.0000273 0.0447455 -0.0062848 -1.2518909 0.0132740 0.0470366 0.0241615 -0.9794974 14 Cl -1.2922905 0.0000273 0.0447455 -0.0062848 -1.2518909 0.0132740 0.0470366 0.0241615 -0.9794974 15 Cl -1.2922905 -0.0000273 0.0447455 0.0062848 -1.2518909 -0.0132740 0.0470366 -0.0241615 -0.9794974 16 Cl -1.2922905 -0.0000273 0.0447455 0.0062848 -1.2518909 -0.0132740 0.0470366 -0.0241615 -0.9794974 17 O -1.6936822 0.3395068 0.1647254 0.3875140 -2.3601372 -0.3675057 0.1851035 -0.2973766 -1.5882973 18 O -1.6936822 -0.3395068 0.1647254 -0.3875140 -2.3601372 0.3675057 0.1851035 0.2973766 -1.5882973 19 O -1.7474674 -0.3145015 0.1502820 -0.3152198 -2.2293749 0.3978600 0.1847259 0.3615706 -1.6916764 20 O -1.5944571 0.0477398 0.5758602 0.0805440 -1.8108934 -0.0322839 0.5163636 0.0309527 -2.1095916 21 O -1.6936822 -0.3395068 0.1647254 -0.3875140 -2.3601372 0.3675057 0.1851035 0.2973766 -1.5882973 22 O -1.7474674 0.3145015 0.1502820 0.3152198 -2.2293749 -0.3978600 0.1847259 -0.3615706 -1.6916764 23 O -1.6936822 0.3395068 0.1647254 0.3875140 -2.3601372 -0.3675057 0.1851035 -0.2973766 -1.5882973 24 O -1.7474674 0.3145015 0.1502820 0.3152198 -2.2293749 -0.3978600 0.1847259 -0.3615706 -1.6916764 25 O -1.5944571 0.0477398 0.5758602 0.0805440 -1.8108934 -0.0322839 0.5163636 0.0309527 -2.1095916 26 O -1.5944571 -0.0477398 0.5758602 -0.0805440 -1.8108934 0.0322839 0.5163636 -0.0309527 -2.1095916 27 O -1.5944571 -0.0477398 0.5758602 -0.0805440 -1.8108934 0.0322839 0.5163636 -0.0309527 -2.1095916 28 O -1.7474674 -0.3145015 0.1502820 -0.3152198 -2.2293749 0.3978600 0.1847259 0.3615706 -1.6916764 ---------------------------------------------------------------------------- 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 7, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 55, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 58, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:00:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:00:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.902652190856640 0.000000000000000 0.000000000000000 b 0.000000000000000 8.656063600000001 0.000000000000000 c -2.281833811324363 0.000000000000000 12.105086082721273 Atomic positions (fractional): 1 Ca 0.33138417686859 0.37912716453603 0.88314107530835 40.078 2 Ca 0.66861582313141 0.62087283546397 0.11685892469165 40.078 3 Ca 0.29630052699588 0.88283750577194 0.86174238540376 40.078 4 Ca 0.33138417686859 0.12087283546397 0.38314107530835 40.078 5 Ca 0.70369947300412 0.38283750577194 0.63825761459624 40.078 6 Ca 0.29630052699588 0.61716249422806 0.36174238540376 40.078 7 Ca 0.70369947300412 0.11716249422806 0.13825761459624 40.078 8 Ca 0.66861582313141 0.87912716453603 0.61685892469165 40.078 9 B 0.29054979656933 0.36632990831630 0.15582422735571 10.811 10 B 0.29054979656933 0.13367009168370 0.65582422735571 10.811 11 B 0.70945020343067 0.63367009168370 0.84417577264429 10.811 12 B 0.70945020343067 0.86632990831630 0.34417577264429 10.811 13 Cl 0.80425494319274 0.12626815302009 0.91249111293246 35.453 14 Cl 0.19574505680726 0.87373184697991 0.08750888706754 35.453 15 Cl 0.19574505680726 0.62626815302009 0.58750888706754 35.453 16 Cl 0.80425494319274 0.37373184697991 0.41249111293246 35.453 17 O 0.19832806641351 0.51114036795001 0.18852068285983 15.999 18 O 0.80167193358649 0.01114036795001 0.31147931714017 15.999 19 O 0.22367351944830 0.22867543772822 0.20501071548299 15.999 20 O 0.48641238184295 0.35961632919060 0.07227600064039 15.999 21 O 0.19832806641351 0.98885963204999 0.68852068285983 15.999 22 O 0.22367351944830 0.27132456227178 0.70501071548299 15.999 23 O 0.80167193358649 0.48885963204999 0.81147931714017 15.999 24 O 0.77632648055170 0.72867543772822 0.29498928451701 15.999 25 O 0.51358761815705 0.64038367080940 0.92772399935961 15.999 26 O 0.51358761815705 0.85961632919060 0.42772399935961 15.999 27 O 0.48641238184295 0.14038367080940 0.57227600064039 15.999 28 O 0.77632648055170 0.77132456227178 0.79498928451701 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.707956572569920 0.000000000000000 0.000000000000000 b 0.000000000000000 8.656063600000001 0.000000000000000 c -2.281833811324363 0.000000000000000 12.105086082721273 Atomic positions (fractional): 1 Ca 0.11046139228953 0.37912716453603 0.88314107530835 40.078 > 1 2 Ca 0.44379472562286 0.37912716453603 0.88314107530835 40.078 > 1 3 Ca 0.77712805895620 0.37912716453603 0.88314107530835 40.078 > 1 4 Ca 0.22287194104380 0.62087283546397 0.11685892469165 40.078 > 4 5 Ca 0.55620527437714 0.62087283546397 0.11685892469165 40.078 > 4 6 Ca 0.88953860771047 0.62087283546397 0.11685892469165 40.078 > 4 7 Ca 0.09876684233196 0.88283750577194 0.86174238540376 40.078 > 7 8 Ca 0.43210017566529 0.88283750577194 0.86174238540376 40.078 > 7 9 Ca 0.76543350899863 0.88283750577194 0.86174238540376 40.078 > 7 10 Ca 0.11046139228953 0.12087283546397 0.38314107530835 40.078 > 10 11 Ca 0.44379472562286 0.12087283546397 0.38314107530835 40.078 > 10 12 Ca 0.77712805895620 0.12087283546397 0.38314107530835 40.078 > 10 13 Ca 0.23456649100137 0.38283750577194 0.63825761459624 40.078 > 13 14 Ca 0.56789982433471 0.38283750577194 0.63825761459624 40.078 > 13 15 Ca 0.90123315766804 0.38283750577194 0.63825761459624 40.078 > 13 16 Ca 0.09876684233196 0.61716249422806 0.36174238540376 40.078 > 16 17 Ca 0.43210017566529 0.61716249422806 0.36174238540376 40.078 > 16 18 Ca 0.76543350899863 0.61716249422806 0.36174238540376 40.078 > 16 19 Ca 0.23456649100137 0.11716249422806 0.13825761459624 40.078 > 19 20 Ca 0.56789982433471 0.11716249422806 0.13825761459624 40.078 > 19 21 Ca 0.90123315766804 0.11716249422806 0.13825761459624 40.078 > 19 22 Ca 0.22287194104380 0.87912716453603 0.61685892469165 40.078 > 22 23 Ca 0.55620527437714 0.87912716453603 0.61685892469165 40.078 > 22 24 Ca 0.88953860771047 0.87912716453603 0.61685892469165 40.078 > 22 25 B 0.09684993218978 0.36632990831630 0.15582422735571 10.811 > 25 26 B 0.43018326552311 0.36632990831630 0.15582422735571 10.811 > 25 27 B 0.76351659885644 0.36632990831630 0.15582422735571 10.811 > 25 28 B 0.09684993218978 0.13367009168370 0.65582422735571 10.811 > 28 29 B 0.43018326552311 0.13367009168370 0.65582422735571 10.811 > 28 30 B 0.76351659885644 0.13367009168370 0.65582422735571 10.811 > 28 31 B 0.23648340114356 0.63367009168370 0.84417577264429 10.811 > 31 32 B 0.56981673447689 0.63367009168370 0.84417577264429 10.811 > 31 33 B 0.90315006781022 0.63367009168370 0.84417577264429 10.811 > 31 34 B 0.23648340114356 0.86632990831630 0.34417577264429 10.811 > 34 35 B 0.56981673447689 0.86632990831630 0.34417577264429 10.811 > 34 36 B 0.90315006781022 0.86632990831630 0.34417577264429 10.811 > 34 37 Cl 0.26808498106425 0.12626815302009 0.91249111293246 35.453 > 37 38 Cl 0.60141831439758 0.12626815302009 0.91249111293246 35.453 > 37 39 Cl 0.93475164773091 0.12626815302009 0.91249111293246 35.453 > 37 40 Cl 0.06524835226909 0.87373184697991 0.08750888706754 35.453 > 40 41 Cl 0.39858168560242 0.87373184697991 0.08750888706754 35.453 > 40 42 Cl 0.73191501893575 0.87373184697991 0.08750888706754 35.453 > 40 43 Cl 0.06524835226909 0.62626815302009 0.58750888706754 35.453 > 43 44 Cl 0.39858168560242 0.62626815302009 0.58750888706754 35.453 > 43 45 Cl 0.73191501893575 0.62626815302009 0.58750888706754 35.453 > 43 46 Cl 0.26808498106425 0.37373184697991 0.41249111293246 35.453 > 46 47 Cl 0.60141831439758 0.37373184697991 0.41249111293246 35.453 > 46 48 Cl 0.93475164773091 0.37373184697991 0.41249111293246 35.453 > 46 49 O 0.06610935547117 0.51114036795001 0.18852068285983 15.999 > 49 50 O 0.39944268880450 0.51114036795001 0.18852068285983 15.999 > 49 51 O 0.73277602213784 0.51114036795001 0.18852068285983 15.999 > 49 52 O 0.26722397786216 0.01114036795001 0.31147931714017 15.999 > 52 53 O 0.60055731119550 0.01114036795001 0.31147931714017 15.999 > 52 54 O 0.93389064452883 0.01114036795001 0.31147931714017 15.999 > 52 55 O 0.07455783981610 0.22867543772822 0.20501071548299 15.999 > 55 56 O 0.40789117314943 0.22867543772822 0.20501071548299 15.999 > 55 57 O 0.74122450648277 0.22867543772822 0.20501071548299 15.999 > 55 58 O 0.16213746061432 0.35961632919060 0.07227600064039 15.999 > 58 59 O 0.49547079394765 0.35961632919060 0.07227600064039 15.999 > 58 60 O 0.82880412728098 0.35961632919060 0.07227600064039 15.999 > 58 61 O 0.06610935547117 0.98885963204999 0.68852068285983 15.999 > 61 62 O 0.39944268880450 0.98885963204999 0.68852068285983 15.999 > 61 63 O 0.73277602213784 0.98885963204999 0.68852068285983 15.999 > 61 64 O 0.07455783981610 0.27132456227178 0.70501071548299 15.999 > 64 65 O 0.40789117314943 0.27132456227178 0.70501071548299 15.999 > 64 66 O 0.74122450648277 0.27132456227178 0.70501071548299 15.999 > 64 67 O 0.26722397786216 0.48885963204999 0.81147931714017 15.999 > 67 68 O 0.60055731119550 0.48885963204999 0.81147931714017 15.999 > 67 69 O 0.93389064452883 0.48885963204999 0.81147931714017 15.999 > 67 70 O 0.25877549351723 0.72867543772822 0.29498928451701 15.999 > 70 71 O 0.59210882685057 0.72867543772822 0.29498928451701 15.999 > 70 72 O 0.92544216018390 0.72867543772822 0.29498928451701 15.999 > 70 73 O 0.17119587271902 0.64038367080940 0.92772399935961 15.999 > 73 74 O 0.50452920605235 0.64038367080940 0.92772399935961 15.999 > 73 75 O 0.83786253938568 0.64038367080940 0.92772399935961 15.999 > 73 76 O 0.17119587271902 0.85961632919060 0.42772399935961 15.999 > 76 77 O 0.50452920605235 0.85961632919060 0.42772399935961 15.999 > 76 78 O 0.83786253938568 0.85961632919060 0.42772399935961 15.999 > 76 79 O 0.16213746061432 0.14038367080940 0.57227600064039 15.999 > 79 80 O 0.49547079394765 0.14038367080940 0.57227600064039 15.999 > 79 81 O 0.82880412728098 0.14038367080940 0.57227600064039 15.999 > 79 82 O 0.25877549351723 0.77132456227178 0.79498928451701 15.999 > 82 83 O 0.59210882685057 0.77132456227178 0.79498928451701 15.999 > 82 84 O 0.92544216018390 0.77132456227178 0.79498928451701 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1241242 0.0000000 -0.0867693 0.0000000 3.2248778 0.0000000 -0.0867703 0.0000000 3.0595480 -------------------------- Born effective charges -------------------------- 1 Ca 2.3390932 0.0595325 0.0390163 0.0105636 2.4236347 0.0509420 0.0893552 -0.0350932 2.4622605 2 Ca 2.3390932 0.0595325 0.0390163 0.0105636 2.4236347 0.0509420 0.0893552 -0.0350932 2.4622605 3 Ca 2.5094925 -0.0568726 0.0060631 -0.0128450 2.3476109 -0.1214868 -0.0021210 -0.0665857 2.2666556 4 Ca 2.3390932 -0.0595325 0.0390163 -0.0105636 2.4236347 -0.0509420 0.0893552 0.0350932 2.4622605 5 Ca 2.5094925 0.0568726 0.0060631 0.0128450 2.3476109 0.1214868 -0.0021210 0.0665857 2.2666556 6 Ca 2.5094925 0.0568726 0.0060631 0.0128450 2.3476109 0.1214868 -0.0021210 0.0665857 2.2666556 7 Ca 2.5094925 -0.0568726 0.0060631 -0.0128450 2.3476109 -0.1214868 -0.0021210 -0.0665857 2.2666556 8 Ca 2.3390932 -0.0595325 0.0390163 -0.0105636 2.4236347 -0.0509420 0.0893552 0.0350932 2.4622605 9 B 1.4793116 -0.0609717 -0.9806926 -0.1373229 2.8810507 -0.0588718 -1.0204639 -0.0685620 1.6401466 10 B 1.4793116 0.0609717 -0.9806926 0.1373229 2.8810507 0.0588718 -1.0204639 0.0685620 1.6401466 11 B 1.4793116 -0.0609717 -0.9806926 -0.1373229 2.8810507 -0.0588718 -1.0204639 -0.0685620 1.6401466 12 B 1.4793116 0.0609717 -0.9806926 0.1373229 2.8810507 0.0588718 -1.0204639 0.0685620 1.6401466 13 Cl -1.2922905 0.0000273 0.0447455 -0.0062848 -1.2518909 0.0132740 0.0470366 0.0241615 -0.9794974 14 Cl -1.2922905 0.0000273 0.0447455 -0.0062848 -1.2518909 0.0132740 0.0470366 0.0241615 -0.9794974 15 Cl -1.2922905 -0.0000273 0.0447455 0.0062848 -1.2518909 -0.0132740 0.0470366 -0.0241615 -0.9794974 16 Cl -1.2922905 -0.0000273 0.0447455 0.0062848 -1.2518909 -0.0132740 0.0470366 -0.0241615 -0.9794974 17 O -1.6936822 0.3395068 0.1647254 0.3875140 -2.3601372 -0.3675057 0.1851035 -0.2973766 -1.5882973 18 O -1.6936822 -0.3395068 0.1647254 -0.3875140 -2.3601372 0.3675057 0.1851035 0.2973766 -1.5882973 19 O -1.7474674 -0.3145015 0.1502820 -0.3152198 -2.2293749 0.3978600 0.1847259 0.3615706 -1.6916764 20 O -1.5944571 0.0477398 0.5758602 0.0805440 -1.8108934 -0.0322839 0.5163636 0.0309527 -2.1095916 21 O -1.6936822 -0.3395068 0.1647254 -0.3875140 -2.3601372 0.3675057 0.1851035 0.2973766 -1.5882973 22 O -1.7474674 0.3145015 0.1502820 0.3152198 -2.2293749 -0.3978600 0.1847259 -0.3615706 -1.6916764 23 O -1.6936822 0.3395068 0.1647254 0.3875140 -2.3601372 -0.3675057 0.1851035 -0.2973766 -1.5882973 24 O -1.7474674 0.3145015 0.1502820 0.3152198 -2.2293749 -0.3978600 0.1847259 -0.3615706 -1.6916764 25 O -1.5944571 0.0477398 0.5758602 0.0805440 -1.8108934 -0.0322839 0.5163636 0.0309527 -2.1095916 26 O -1.5944571 -0.0477398 0.5758602 -0.0805440 -1.8108934 0.0322839 0.5163636 -0.0309527 -2.1095916 27 O -1.5944571 -0.0477398 0.5758602 -0.0805440 -1.8108934 0.0322839 0.5163636 -0.0309527 -2.1095916 28 O -1.7474674 -0.3145015 0.1502820 -0.3152198 -2.2293749 0.3978600 0.1847259 0.3615706 -1.6916764 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 6 4 ] 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: 0.56, Number of G-points: 291, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.768 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 7.731 ( 0.000 0.000 0.000) 0.000 7.916 ( 0.000 0.000 0.000) 0.000 7.976 ( 0.000 0.000 0.000) 0.000 8.078 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 8.450 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.111 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 9.872 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 0.000 0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 10.596 ( 0.000 0.000 0.000) 0.000 10.777 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 16.359 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 16.569 ( 0.000 0.000 0.000) 0.000 16.691 ( 0.000 0.000 0.000) 0.000 18.155 ( 0.000 0.000 0.000) 0.000 18.250 ( 0.000 0.000 0.000) 0.000 18.333 ( 0.000 0.000 0.000) 0.000 18.455 ( 0.000 0.000 0.000) 0.000 21.415 ( 0.000 0.000 0.000) 0.000 21.473 ( 0.000 0.000 0.000) 0.000 21.507 ( 0.000 0.000 0.000) 0.000 21.714 ( 0.000 0.000 0.000) 0.000 27.283 ( 0.000 0.000 0.000) 0.000 27.310 ( 0.000 0.000 0.000) 0.000 27.342 ( 0.000 0.000 0.000) 0.000 27.350 ( 0.000 0.000 0.000) 0.000 35.568 ( 0.000 0.000 0.000) 0.000 36.119 ( 0.000 0.000 0.000) 0.000 36.512 ( 0.000 0.000 0.000) 0.000 36.683 ( 0.000 0.000 0.000) 0.000 37.604 ( 0.000 0.000 0.000) 0.000 37.661 ( 0.000 0.000 0.000) 0.000 39.830 ( 0.000 0.000 0.000) 0.000 39.883 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 27.468 0.000 -1.284) 27.498 0.683 ( 35.122 0.000 -2.279) 35.196 1.075 ( 51.291 0.000 11.946) 52.664 1.891 ( 16.674 0.000 -6.041) 17.734 2.707 ( 6.205 0.000 1.348) 6.350 2.771 ( 3.926 0.000 -0.603) 3.972 3.134 ( 1.229 0.000 -0.802) 1.467 3.184 ( -1.035 0.000 6.212) 6.298 3.394 ( 8.478 0.000 1.752) 8.657 3.520 ( 7.686 0.000 -1.538) 7.838 3.619 ( 2.021 0.000 4.987) 5.381 3.641 ( 4.836 0.000 -5.064) 7.002 4.051 ( -2.733 0.000 3.881) 4.747 4.121 ( 3.639 0.000 0.809) 3.728 4.188 ( 1.900 0.000 2.225) 2.925 4.203 ( 0.550 0.000 3.114) 3.162 4.220 ( 5.486 0.000 -10.895) 12.198 4.383 ( 15.303 0.000 -1.102) 15.343 4.491 ( 2.183 0.000 -7.567) 7.876 4.635 ( 4.222 0.000 3.917) 5.759 4.648 ( 7.309 0.000 3.511) 8.109 5.042 ( 15.406 0.000 -14.952) 21.468 5.272 ( -0.084 0.000 7.617) 7.617 5.456 ( 7.316 0.000 -2.141) 7.623 5.494 ( 7.834 0.000 3.667) 8.650 5.664 ( -2.384 0.000 1.382) 2.756 6.077 ( 2.235 0.000 -0.426) 2.275 6.111 ( -7.946 0.000 -13.786) 15.912 6.288 ( -3.742 0.000 -1.431) 4.006 6.337 ( -1.111 0.000 13.800) 13.844 6.459 ( -4.063 0.000 -0.491) 4.093 6.477 ( -1.182 0.000 8.849) 8.927 6.811 ( 2.642 0.000 6.834) 7.327 7.107 ( -0.975 0.000 -0.931) 1.348 7.165 ( 0.665 0.000 -1.653) 1.782 7.183 ( -0.480 0.000 -3.655) 3.686 7.300 ( -0.074 0.000 -0.810) 0.813 7.634 ( -6.447 0.000 -1.807) 6.696 7.693 ( -3.862 0.000 -0.658) 3.918 7.965 ( -1.201 0.000 0.703) 1.392 8.070 ( -1.042 0.000 1.008) 1.450 8.291 ( 1.614 0.000 2.560) 3.026 8.355 ( -2.300 0.000 -14.525) 14.706 8.415 ( -6.991 0.000 -8.436) 10.956 8.833 ( 1.716 0.000 -9.037) 9.199 8.874 ( -7.171 0.000 6.974) 10.003 8.938 ( 0.204 0.000 -0.324) 0.383 9.119 ( -3.118 0.000 10.234) 10.698 9.143 ( 2.650 0.000 -2.531) 3.664 9.222 ( -8.249 0.000 -4.694) 9.491 9.453 ( -8.899 0.000 3.494) 9.560 9.640 ( -6.087 0.000 -3.741) 7.144 9.772 ( 0.415 0.000 0.891) 0.983 10.231 ( -4.258 0.000 3.492) 5.507 10.409 ( -4.562 0.000 9.580) 10.611 10.541 ( -4.991 0.000 -1.587) 5.237 10.833 ( 5.132 0.000 0.232) 5.137 10.840 ( 2.809 0.000 1.137) 3.031 10.955 ( 2.207 0.000 -13.501) 13.680 12.171 ( -6.288 0.000 16.151) 17.332 16.368 ( 0.982 0.000 -0.637) 1.170 16.395 ( 0.143 0.000 0.623) 0.640 16.589 ( -0.438 0.000 -3.849) 3.874 16.689 ( -0.425 0.000 0.636) 0.765 18.152 ( -0.457 0.000 0.960) 1.063 18.245 ( 0.273 0.000 -3.396) 3.407 18.349 ( 0.882 0.000 3.197) 3.316 18.469 ( 1.454 0.000 -0.611) 1.577 21.492 ( 1.801 0.000 0.182) 1.810 21.505 ( 0.134 0.000 -0.651) 0.664 21.737 ( 2.885 0.000 -4.976) 5.752 21.957 ( -8.277 0.000 37.362) 38.268 27.285 ( 0.190 0.000 0.162) 0.250 27.297 ( -1.385 0.000 -0.234) 1.405 27.352 ( -0.073 0.000 1.179) 1.182 27.359 ( 1.259 0.000 -0.274) 1.288 36.148 ( 2.787 0.000 -0.448) 2.823 36.199 ( 18.976 0.000 -95.788) 97.650 36.254 ( -13.581 0.000 -1.023) 13.620 36.953 ( 12.109 0.000 14.148) 18.622 37.600 ( -0.439 0.000 0.540) 0.696 37.654 ( -0.595 0.000 -0.393) 0.714 39.754 ( -8.451 0.000 -0.049) 8.451 39.795 ( -8.681 0.000 -0.315) 8.687 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 32.558 0.000 -2.552) 32.658 1.365 ( 34.796 0.000 -2.069) 34.858 2.080 ( 45.169 0.000 10.631) 46.403 2.237 ( 19.255 0.000 -10.711) 22.034 2.867 ( 11.239 0.000 -16.523) 19.983 2.929 ( 10.770 0.000 19.597) 22.362 3.182 ( 4.224 0.000 2.183) 4.755 3.244 ( 3.758 0.000 7.963) 8.805 3.570 ( 8.239 0.000 0.710) 8.269 3.604 ( 3.148 0.000 -0.470) 3.183 3.738 ( 7.577 0.000 -6.491) 9.978 3.816 ( 13.010 0.000 7.564) 15.049 4.010 ( -2.371 0.000 0.533) 2.430 4.221 ( 4.502 0.000 2.455) 5.128 4.228 ( 2.727 0.000 -4.160) 4.974 4.293 ( 6.286 0.000 5.432) 8.307 4.312 ( 6.506 0.000 -4.852) 8.116 4.521 ( 5.021 0.000 -10.212) 11.379 4.667 ( 12.703 0.000 -7.465) 14.735 4.773 ( 8.245 0.000 2.398) 8.587 4.934 ( 18.625 0.000 6.833) 19.839 5.122 ( 1.003 0.000 -13.708) 13.744 5.469 ( 9.610 0.000 7.876) 12.425 5.570 ( -0.644 0.000 2.622) 2.700 5.667 ( 6.221 0.000 2.187) 6.594 5.702 ( 12.827 0.000 0.290) 12.830 5.902 ( -6.694 0.000 -12.203) 13.918 6.088 ( -1.883 0.000 -6.976) 7.226 6.238 ( 0.000 0.000 7.793) 7.793 6.317 ( -5.223 0.000 10.388) 11.627 6.423 ( 1.926 0.000 0.878) 2.117 6.484 ( -0.938 0.000 6.054) 6.126 6.915 ( 4.518 0.000 11.246) 12.119 7.077 ( -1.284 0.000 -3.701) 3.917 7.156 ( -0.865 0.000 -2.078) 2.251 7.163 ( -0.170 0.000 -2.869) 2.874 7.297 ( 0.315 0.000 -1.653) 1.683 7.449 ( -10.749 0.000 -3.224) 11.223 7.578 ( -7.068 0.000 -0.219) 7.071 7.933 ( -2.403 0.000 0.953) 2.585 8.037 ( -2.878 0.000 0.583) 2.936 8.160 ( -12.959 0.000 -6.937) 14.699 8.232 ( -7.173 0.000 -11.882) 13.879 8.308 ( -1.113 0.000 2.227) 2.490 8.755 ( -6.447 0.000 4.211) 7.701 8.819 ( -1.381 0.000 -0.982) 1.695 8.901 ( -14.698 0.000 3.015) 15.004 8.948 ( 0.422 0.000 0.322) 0.531 9.162 ( -0.659 0.000 -3.107) 3.177 9.203 ( 0.532 0.000 5.196) 5.223 9.298 ( -5.870 0.000 2.055) 6.220 9.483 ( -7.216 0.000 -4.194) 8.347 9.758 ( -1.835 0.000 -1.298) 2.248 10.134 ( -6.169 0.000 1.015) 6.252 10.311 ( -9.417 0.000 13.641) 16.576 10.398 ( -8.786 0.000 -1.466) 8.907 10.883 ( 1.147 0.000 1.355) 1.775 10.957 ( 6.747 0.000 0.277) 6.753 10.967 ( 4.608 0.000 -18.284) 18.855 12.071 ( -8.253 0.000 6.793) 10.689 16.389 ( 1.354 0.000 -1.091) 1.739 16.401 ( 0.141 0.000 0.932) 0.943 16.559 ( -1.630 0.000 -0.151) 1.637 16.671 ( -1.820 0.000 0.567) 1.906 18.146 ( -0.589 0.000 1.440) 1.555 18.238 ( 0.403 0.000 -4.060) 4.080 18.387 ( 1.593 0.000 3.678) 4.008 18.504 ( 2.267 0.000 -0.982) 2.471 21.514 ( 1.192 0.000 -1.673) 2.055 21.539 ( 2.651 0.000 0.349) 2.674 21.773 ( 2.545 0.000 -6.384) 6.873 21.923 ( -5.443 0.000 17.226) 18.065 27.268 ( -1.284 0.000 -0.591) 1.413 27.290 ( 0.114 0.000 0.273) 0.296 27.354 ( -0.245 0.000 1.853) 1.869 27.383 ( 1.324 0.000 -0.637) 1.469 36.054 ( -6.856 0.000 2.978) 7.475 36.197 ( 6.922 0.000 -28.534) 29.361 36.249 ( 6.944 0.000 -12.147) 13.991 37.174 ( 4.602 0.000 14.332) 15.053 37.594 ( -0.342 0.000 1.034) 1.089 37.639 ( -0.559 0.000 -0.767) 0.949 39.520 ( -14.914 0.000 0.312) 14.917 39.553 ( -15.193 0.000 -0.627) 15.206 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 34.900 0.000 -4.509) 35.190 2.029 ( 32.902 0.000 -1.790) 32.951 2.518 ( 13.699 0.000 -12.690) 18.673 2.848 ( 26.905 0.000 8.512) 28.220 3.049 ( 12.748 0.000 -11.646) 17.266 3.305 ( 5.504 0.000 7.031) 8.929 3.354 ( 25.237 0.000 17.397) 30.652 3.394 ( 8.679 0.000 7.442) 11.433 3.693 ( 5.967 0.000 2.017) 6.299 3.723 ( 8.058 0.000 -2.582) 8.461 3.886 ( 7.888 0.000 -1.918) 8.118 3.957 ( -3.017 0.000 -0.692) 3.096 4.101 ( 11.311 0.000 7.373) 13.502 4.237 ( -2.640 0.000 -4.353) 5.091 4.273 ( 4.588 0.000 -7.465) 8.762 4.442 ( 8.189 0.000 -1.950) 8.418 4.462 ( 6.766 0.000 8.405) 10.790 4.640 ( 10.030 0.000 -7.843) 12.733 4.850 ( 8.234 0.000 -2.802) 8.697 4.943 ( 7.843 0.000 -4.943) 9.271 5.107 ( 2.980 0.000 -5.793) 6.515 5.226 ( 5.185 0.000 0.657) 5.227 5.504 ( -6.507 0.000 7.737) 10.110 5.564 ( 1.505 0.000 2.400) 2.833 5.705 ( -7.017 0.000 -7.467) 10.247 5.825 ( 6.647 0.000 5.295) 8.498 5.977 ( -5.684 0.000 -5.116) 7.647 6.038 ( 14.162 0.000 -1.024) 14.199 6.307 ( 2.094 0.000 6.643) 6.965 6.337 ( 4.737 0.000 12.054) 12.952 6.485 ( -0.543 0.000 1.564) 1.656 6.500 ( 4.753 0.000 -0.954) 4.847 6.977 ( -8.577 0.000 -14.373) 16.737 7.032 ( 0.607 0.000 6.806) 6.833 7.145 ( -0.267 0.000 -2.704) 2.717 7.147 ( 1.115 0.000 -0.593) 1.263 7.271 ( -3.293 0.000 1.857) 3.781 7.317 ( 4.338 0.000 -0.650) 4.387 7.479 ( -0.751 0.000 2.653) 2.757 7.809 ( -13.800 0.000 -8.689) 16.307 7.916 ( -4.244 0.000 0.679) 4.298 7.956 ( -5.104 0.000 -1.224) 5.249 8.058 ( -5.843 0.000 -6.199) 8.519 8.283 ( -1.227 0.000 1.748) 2.135 8.655 ( -10.154 0.000 1.480) 10.261 8.659 ( -4.764 0.000 4.045) 6.250 8.771 ( -3.007 0.000 -1.263) 3.262 8.966 ( 0.637 0.000 1.048) 1.226 9.096 ( -3.539 0.000 1.272) 3.761 9.172 ( -5.537 0.000 4.516) 7.145 9.264 ( 0.770 0.000 -2.075) 2.214 9.361 ( -3.704 0.000 -2.778) 4.630 9.692 ( -4.132 0.000 -2.444) 4.801 10.005 ( -6.950 0.000 0.224) 6.953 10.148 ( -12.167 0.000 7.703) 14.400 10.217 ( -9.255 0.000 8.597) 12.632 10.856 ( -2.061 0.000 -14.099) 14.249 11.017 ( 4.472 0.000 -2.646) 5.196 11.085 ( 5.977 0.000 0.093) 5.978 11.892 ( -11.828 0.000 3.024) 12.208 16.405 ( -0.140 0.000 0.915) 0.925 16.410 ( 1.101 0.000 -1.170) 1.607 16.528 ( -1.664 0.000 1.016) 1.949 16.624 ( -2.902 0.000 0.050) 2.902 18.140 ( -0.532 0.000 1.576) 1.663 18.231 ( 0.329 0.000 -3.456) 3.471 18.435 ( 1.972 0.000 2.990) 3.582 18.547 ( 2.383 0.000 -1.090) 2.621 21.536 ( 1.598 0.000 -1.984) 2.547 21.592 ( 2.423 0.000 0.456) 2.466 21.784 ( 0.756 0.000 -5.476) 5.528 21.874 ( -4.555 0.000 9.935) 10.930 27.244 ( -0.894 0.000 -0.728) 1.153 27.286 ( -0.723 0.000 0.590) 0.933 27.358 ( 0.084 0.000 1.682) 1.684 27.406 ( 1.224 0.000 -0.830) 1.479 35.997 ( -0.664 0.000 3.929) 3.985 36.222 ( 5.332 0.000 -22.141) 22.774 36.359 ( 5.692 0.000 1.655) 5.927 37.251 ( -0.767 0.000 10.127) 10.156 37.600 ( 0.700 0.000 1.239) 1.423 37.634 ( 0.567 0.000 -1.069) 1.211 39.189 ( -18.293 0.000 0.584) 18.303 39.213 ( -18.443 0.000 -0.872) 18.464 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 33.881 0.000 -7.227) 34.644 2.607 ( 22.773 0.000 -4.490) 23.211 2.736 ( 16.555 0.000 -6.689) 17.856 3.200 ( 9.241 0.000 1.864) 9.428 3.328 ( 17.790 0.000 -3.284) 18.091 3.421 ( 2.266 0.000 11.398) 11.621 3.620 ( 11.204 0.000 4.329) 12.011 3.851 ( 9.653 0.000 8.689) 12.988 3.873 ( 8.048 0.000 -4.039) 9.004 3.883 ( 1.587 0.000 1.639) 2.281 3.914 ( 14.743 0.000 5.281) 15.660 3.993 ( 2.829 0.000 -0.691) 2.912 4.113 ( -6.573 0.000 -7.879) 10.261 4.196 ( -2.647 0.000 -0.073) 2.648 4.463 ( 16.039 0.000 0.905) 16.064 4.584 ( 2.345 0.000 7.811) 8.155 4.613 ( 8.598 0.000 0.244) 8.602 4.805 ( 7.368 0.000 -5.179) 9.006 4.971 ( 3.866 0.000 3.389) 5.141 5.015 ( 3.518 0.000 -9.994) 10.595 5.200 ( 5.259 0.000 0.416) 5.275 5.232 ( -0.312 0.000 0.731) 0.795 5.408 ( -4.124 0.000 6.890) 8.030 5.538 ( -6.295 0.000 -2.768) 6.877 5.573 ( -1.982 0.000 -2.611) 3.278 5.809 ( -9.214 0.000 -1.362) 9.314 5.959 ( 3.237 0.000 4.578) 5.607 6.185 ( 1.341 0.000 -0.210) 1.357 6.430 ( -3.354 0.000 1.505) 3.676 6.435 ( 5.681 0.000 8.468) 10.197 6.477 ( 0.333 0.000 5.685) 5.695 6.538 ( -1.124 0.000 -3.325) 3.510 6.677 ( -11.643 0.000 -14.421) 18.534 6.995 ( -2.174 0.000 -0.508) 2.232 7.083 ( -3.419 0.000 -5.031) 6.083 7.205 ( 4.363 0.000 -0.818) 4.439 7.282 ( -0.880 0.000 1.025) 1.351 7.492 ( 8.429 0.000 -5.581) 10.109 7.517 ( -8.649 0.000 -8.799) 12.338 7.630 ( 15.032 0.000 10.796) 18.507 7.841 ( -5.381 0.000 -1.997) 5.740 7.867 ( -2.124 0.000 -4.277) 4.775 8.034 ( 5.608 0.000 6.476) 8.567 8.307 ( 3.553 0.000 0.694) 3.620 8.523 ( -4.020 0.000 2.947) 4.985 8.594 ( -3.268 0.000 2.573) 4.160 8.700 ( -3.451 0.000 -0.773) 3.536 8.960 ( -1.774 0.000 0.819) 1.954 9.076 ( 1.563 0.000 0.247) 1.583 9.091 ( -2.104 0.000 1.763) 2.745 9.275 ( 1.021 0.000 -3.161) 3.322 9.296 ( -2.010 0.000 -1.739) 2.657 9.585 ( -5.364 0.000 -2.504) 5.919 9.872 ( -6.389 0.000 0.366) 6.400 9.904 ( -13.751 0.000 3.243) 14.129 10.080 ( -9.979 0.000 12.002) 15.609 10.714 ( -6.833 0.000 -12.504) 14.249 11.101 ( 4.188 0.000 0.217) 4.194 11.188 ( 4.385 0.000 -0.208) 4.390 11.629 ( -15.509 0.000 0.957) 15.539 16.401 ( -0.522 0.000 0.671) 0.850 16.423 ( 0.665 0.000 -0.839) 1.071 16.503 ( -1.248 0.000 1.018) 1.610 16.565 ( -2.741 0.000 -0.282) 2.756 18.136 ( -0.421 0.000 1.388) 1.450 18.225 ( 0.212 0.000 -2.511) 2.520 18.483 ( 1.840 0.000 2.093) 2.787 18.587 ( 2.012 0.000 -0.976) 2.236 21.557 ( 1.181 0.000 -1.665) 2.041 21.634 ( 1.654 0.000 0.430) 1.709 21.766 ( -0.591 0.000 -3.847) 3.892 21.821 ( -3.699 0.000 5.929) 6.988 27.228 ( -0.451 0.000 -0.694) 0.828 27.267 ( -1.420 0.000 0.801) 1.630 27.369 ( 0.429 0.000 1.143) 1.221 27.425 ( 0.960 0.000 -0.803) 1.251 36.035 ( 2.614 0.000 3.367) 4.263 36.244 ( 3.592 0.000 -13.534) 14.003 36.474 ( 4.811 0.000 3.215) 5.786 37.242 ( -2.566 0.000 5.486) 6.056 37.638 ( 2.866 0.000 1.199) 3.107 37.662 ( 2.950 0.000 -1.225) 3.194 38.822 ( -18.757 0.000 0.796) 18.774 38.840 ( -18.606 0.000 -1.003) 18.633 ======================= Grid point 5 (6/108) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 11.034 0.000 -4.876) 12.063 2.992 ( 28.330 0.000 -10.690) 30.280 3.150 ( 18.901 0.000 0.261) 18.903 3.335 ( 4.422 0.000 0.938) 4.521 3.462 ( -1.985 0.000 8.478) 8.707 3.625 ( 11.425 0.000 0.581) 11.440 3.826 ( 6.971 0.000 2.870) 7.538 3.836 ( -0.817 0.000 -0.115) 0.825 3.903 ( -4.578 0.000 -9.264) 10.333 3.989 ( -1.466 0.000 -1.593) 2.165 4.062 ( 0.369 0.000 6.874) 6.884 4.064 ( 6.327 0.000 -2.046) 6.649 4.097 ( 2.503 0.000 -3.301) 4.142 4.192 ( 8.272 0.000 6.520) 10.533 4.622 ( -0.310 0.000 5.502) 5.510 4.718 ( 3.259 0.000 1.533) 3.601 4.826 ( 14.597 0.000 4.351) 15.231 4.847 ( -1.669 0.000 -0.903) 1.898 5.030 ( 0.809 0.000 6.384) 6.435 5.047 ( 3.365 0.000 -3.671) 4.980 5.280 ( 1.497 0.000 -0.986) 1.792 5.282 ( 3.345 0.000 3.789) 5.055 5.355 ( -3.221 0.000 2.116) 3.854 5.470 ( -7.042 0.000 -3.642) 7.928 5.534 ( 7.107 0.000 -1.358) 7.236 5.610 ( -9.031 0.000 -1.346) 9.131 6.023 ( 3.096 0.000 1.249) 3.338 6.139 ( -5.556 0.000 1.023) 5.650 6.203 ( -11.515 0.000 -16.124) 19.813 6.422 ( -5.276 0.000 -2.975) 6.057 6.431 ( -6.571 0.000 6.957) 9.570 6.559 ( 0.846 0.000 8.208) 8.251 6.578 ( -0.085 0.000 -0.889) 0.893 6.965 ( -1.676 0.000 0.221) 1.691 7.026 ( 0.307 0.000 -5.910) 5.918 7.144 ( -6.648 0.000 -3.384) 7.460 7.345 ( 6.922 0.000 -0.836) 6.973 7.430 ( -0.917 0.000 -1.781) 2.003 7.567 ( 2.088 0.000 -3.340) 3.939 7.743 ( -3.299 0.000 -2.392) 4.075 7.811 ( -1.232 0.000 -5.310) 5.451 8.060 ( 22.460 0.000 4.753) 22.958 8.259 ( 10.084 0.000 11.207) 15.076 8.378 ( 2.574 0.000 -2.491) 3.582 8.514 ( 0.508 0.000 6.962) 6.980 8.544 ( -2.432 0.000 0.120) 2.435 8.639 ( -2.482 0.000 -0.038) 2.482 8.975 ( 4.586 0.000 0.857) 4.666 9.081 ( -0.113 0.000 -3.086) 3.088 9.152 ( 4.729 0.000 -1.131) 4.862 9.285 ( 1.624 0.000 -2.335) 2.844 9.287 ( 1.557 0.000 2.617) 3.045 9.492 ( -1.430 0.000 -3.862) 4.118 9.645 ( -13.578 0.000 3.661) 14.063 9.765 ( -4.569 0.000 1.502) 4.809 9.889 ( -11.975 0.000 2.949) 12.333 10.515 ( -9.420 0.000 -5.119) 10.721 11.174 ( 2.905 0.000 0.326) 2.923 11.242 ( -2.065 0.000 -1.374) 2.480 11.317 ( -12.233 0.000 0.955) 12.270 16.391 ( -0.623 0.000 0.341) 0.710 16.431 ( 0.351 0.000 -0.397) 0.530 16.486 ( -0.776 0.000 0.577) 0.967 16.519 ( -1.747 0.000 -0.252) 1.765 18.134 ( -0.279 0.000 0.943) 0.983 18.221 ( 0.125 0.000 -1.511) 1.516 18.520 ( 1.267 0.000 1.231) 1.766 18.617 ( 1.331 0.000 -0.676) 1.492 21.569 ( 0.569 0.000 -1.051) 1.195 21.660 ( 0.893 0.000 0.237) 0.924 21.739 ( -0.896 0.000 -2.226) 2.400 21.776 ( -2.505 0.000 3.264) 4.114 27.220 ( -0.147 0.000 -0.502) 0.523 27.242 ( -1.260 0.000 0.619) 1.404 27.381 ( 0.370 0.000 0.680) 0.774 27.437 ( 0.589 0.000 -0.573) 0.822 36.105 ( 2.978 0.000 2.256) 3.735 36.262 ( 2.113 0.000 -7.255) 7.556 36.564 ( 3.168 0.000 2.511) 4.042 37.207 ( -2.194 0.000 2.235) 3.132 37.727 ( 5.703 0.000 1.133) 5.814 37.748 ( 6.304 0.000 -1.199) 6.417 38.470 ( -16.986 0.000 0.929) 17.011 38.488 ( -16.320 0.000 -1.032) 16.353 ======================= Grid point 6 (7/108) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 7.695 0.000 -0.332) 7.702 3.356 ( 7.028 0.000 -6.930) 9.870 3.378 ( 4.116 0.000 0.534) 4.151 3.409 ( -4.294 0.000 1.249) 4.472 3.423 ( 7.942 0.000 -1.279) 8.044 3.718 ( -1.264 0.000 5.471) 5.615 3.813 ( -0.229 0.000 -2.693) 2.702 3.876 ( 1.389 0.000 -1.317) 1.914 3.898 ( -0.695 0.000 -0.974) 1.197 3.970 ( -0.985 0.000 -0.661) 1.186 3.976 ( 1.422 0.000 0.827) 1.645 4.181 ( 3.949 0.000 -1.218) 4.133 4.248 ( 4.627 0.000 1.265) 4.797 4.339 ( 4.330 0.000 4.534) 6.270 4.642 ( 1.125 0.000 2.646) 2.875 4.706 ( -2.810 0.000 -0.614) 2.876 4.778 ( -3.758 0.000 -0.117) 3.759 5.026 ( 2.378 0.000 2.663) 3.570 5.101 ( 5.603 0.000 5.007) 7.515 5.130 ( 4.753 0.000 1.097) 4.878 5.249 ( -2.965 0.000 -0.270) 2.977 5.300 ( -6.162 0.000 -1.168) 6.271 5.305 ( -1.839 0.000 -2.098) 2.790 5.338 ( -0.130 0.000 -0.107) 0.168 5.480 ( -3.428 0.000 -0.582) 3.477 5.739 ( 11.972 0.000 -1.234) 12.036 5.986 ( -9.964 0.000 1.505) 10.077 5.995 ( -3.816 0.000 -7.191) 8.141 6.114 ( 5.024 0.000 -0.361) 5.037 6.312 ( -6.175 0.000 1.654) 6.393 6.331 ( -2.536 0.000 -0.712) 2.634 6.568 ( -0.525 0.000 0.301) 0.605 6.574 ( -0.581 0.000 2.647) 2.710 6.940 ( -0.611 0.000 -0.182) 0.638 7.026 ( 0.441 0.000 -1.660) 1.718 7.042 ( -2.457 0.000 -1.219) 2.743 7.417 ( 0.216 0.000 -0.360) 0.420 7.462 ( 3.511 0.000 0.107) 3.512 7.582 ( 0.618 0.000 -1.211) 1.359 7.692 ( -1.199 0.000 -0.933) 1.519 7.782 ( -0.265 0.000 -2.609) 2.623 8.357 ( 1.916 0.000 5.528) 5.850 8.423 ( 3.704 0.000 -9.118) 9.842 8.427 ( 3.033 0.000 7.839) 8.405 8.499 ( -1.259 0.000 -3.095) 3.341 8.607 ( -0.791 0.000 0.151) 0.805 8.669 ( 15.721 0.000 8.874) 18.052 8.998 ( -8.769 0.000 -6.001) 10.626 9.074 ( 2.329 0.000 1.548) 2.797 9.181 ( -0.289 0.000 -0.842) 0.890 9.308 ( 0.003 0.000 0.759) 0.759 9.388 ( 1.946 0.000 7.793) 8.033 9.451 ( -0.536 0.000 0.892) 1.040 9.553 ( 6.680 0.000 -4.934) 8.305 9.657 ( -10.164 0.000 -5.750) 11.678 9.708 ( -1.985 0.000 2.605) 3.275 10.343 ( -5.593 0.000 -0.187) 5.596 11.007 ( -9.302 0.000 -0.477) 9.314 11.214 ( 1.033 0.000 0.120) 1.040 11.301 ( 0.783 0.000 0.097) 0.789 16.382 ( -0.271 0.000 0.091) 0.286 16.434 ( 0.116 0.000 -0.103) 0.155 16.477 ( -0.271 0.000 0.170) 0.319 16.496 ( -0.580 0.000 -0.084) 0.586 18.133 ( -0.099 0.000 0.333) 0.348 18.219 ( 0.044 0.000 -0.504) 0.506 18.541 ( 0.447 0.000 0.407) 0.604 18.633 ( 0.465 0.000 -0.242) 0.524 21.573 ( 0.151 0.000 -0.351) 0.382 21.672 ( 0.292 0.000 0.036) 0.294 21.720 ( -0.397 0.000 -0.729) 0.831 21.750 ( -0.912 0.000 1.087) 1.419 27.217 ( -0.023 0.000 -0.184) 0.185 27.225 ( -0.490 0.000 0.226) 0.539 27.388 ( 0.135 0.000 0.230) 0.267 27.444 ( 0.195 0.000 -0.207) 0.284 36.155 ( 1.256 0.000 0.809) 1.494 36.272 ( 0.704 0.000 -2.281) 2.387 36.613 ( 1.088 0.000 0.915) 1.421 37.181 ( -0.835 0.000 0.524) 0.986 37.861 ( 6.387 0.000 0.815) 6.439 37.899 ( 8.890 0.000 -0.983) 8.945 38.174 ( -12.631 0.000 0.899) 12.663 38.211 ( -10.113 0.000 -0.779) 10.143 ======================= Grid point 13 (8/108) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.000 32.248 0.000) 32.248 0.784 ( 0.000 40.411 0.000) 40.411 1.385 ( 0.000 70.257 0.000) 70.257 1.800 ( 0.000 8.529 0.000) 8.529 2.784 ( 0.000 8.724 0.000) 8.724 2.866 ( 0.000 12.803 0.000) 12.803 2.965 ( 0.000 -20.847 0.000) 20.847 3.148 ( 0.000 -0.187 0.000) 0.187 3.263 ( 0.000 1.348 0.000) 1.348 3.463 ( 0.000 -4.733 0.000) 4.733 3.526 ( 0.000 -5.633 0.000) 5.633 3.618 ( 0.000 -2.365 0.000) 2.365 3.726 ( 0.000 -5.516 0.000) 5.516 3.836 ( 0.000 -16.958 0.000) 16.958 4.119 ( 0.000 -3.215 0.000) 3.215 4.178 ( 0.000 10.272 0.000) 10.272 4.215 ( 0.000 10.287 0.000) 10.287 4.496 ( 0.000 12.037 0.000) 12.037 4.570 ( 0.000 8.770 0.000) 8.770 4.674 ( 0.000 8.277 0.000) 8.277 4.746 ( 0.000 13.100 0.000) 13.100 4.902 ( 0.000 3.404 0.000) 3.404 5.331 ( 0.000 -3.760 0.000) 3.760 5.362 ( 0.000 -2.774 0.000) 2.774 5.560 ( 0.000 -3.034 0.000) 3.034 5.650 ( 0.000 -5.713 0.000) 5.713 6.056 ( 0.000 -1.340 0.000) 1.340 6.145 ( 0.000 -12.354 0.000) 12.354 6.177 ( 0.000 -5.607 0.000) 5.607 6.296 ( 0.000 -3.021 0.000) 3.021 6.319 ( 0.000 -5.005 0.000) 5.005 6.601 ( 0.000 5.709 0.000) 5.709 6.915 ( 0.000 5.718 0.000) 5.718 7.083 ( 0.000 -5.760 0.000) 5.760 7.116 ( 0.000 -0.245 0.000) 0.245 7.196 ( 0.000 -1.429 0.000) 1.429 7.320 ( 0.000 0.566 0.000) 0.566 7.470 ( 0.000 -19.077 0.000) 19.077 7.591 ( 0.000 -11.076 0.000) 11.076 7.855 ( 0.000 -4.860 0.000) 4.860 8.018 ( 0.000 2.599 0.000) 2.599 8.076 ( 0.000 -3.508 0.000) 3.508 8.182 ( 0.000 -3.851 0.000) 3.851 8.396 ( 0.000 -13.047 0.000) 13.047 8.540 ( 0.000 3.109 0.000) 3.109 8.896 ( 0.000 -3.422 0.000) 3.422 9.023 ( 0.000 -6.359 0.000) 6.359 9.107 ( 0.000 -1.065 0.000) 1.065 9.376 ( 0.000 3.170 0.000) 3.170 9.486 ( 0.000 14.718 0.000) 14.718 9.742 ( 0.000 1.684 0.000) 1.684 9.763 ( 0.000 0.824 0.000) 0.824 10.033 ( 0.000 10.386 0.000) 10.386 10.249 ( 0.000 -8.137 0.000) 8.137 10.266 ( 0.000 -1.240 0.000) 1.240 10.621 ( 0.000 -3.360 0.000) 3.360 10.715 ( 0.000 9.274 0.000) 9.274 10.846 ( 0.000 5.255 0.000) 5.255 10.934 ( 0.000 14.709 0.000) 14.709 12.450 ( 0.000 -9.244 0.000) 9.244 16.377 ( 0.000 0.105 0.000) 0.105 16.386 ( 0.000 1.109 0.000) 1.109 16.540 ( 0.000 -2.992 0.000) 2.992 16.655 ( 0.000 -3.148 0.000) 3.148 18.216 ( 0.000 5.639 0.000) 5.639 18.301 ( 0.000 0.081 0.000) 0.081 18.333 ( 0.000 -0.028 0.000) 0.028 18.467 ( 0.000 0.885 0.000) 0.885 21.417 ( 0.000 0.246 0.000) 0.246 21.469 ( 0.000 -0.509 0.000) 0.509 21.514 ( 0.000 0.549 0.000) 0.549 21.693 ( 0.000 -2.144 0.000) 2.144 27.284 ( 0.000 0.150 0.000) 0.150 27.316 ( 0.000 0.540 0.000) 0.540 27.329 ( 0.000 -0.927 0.000) 0.927 27.353 ( 0.000 0.065 0.000) 0.065 35.602 ( 0.000 3.479 0.000) 3.479 36.103 ( 0.000 -1.733 0.000) 1.733 36.442 ( 0.000 -6.589 0.000) 6.589 36.458 ( 0.000 -16.558 0.000) 16.558 38.026 ( 0.000 30.317 0.000) 30.317 39.747 ( 0.000 -7.360 0.000) 7.360 39.941 ( 0.000 4.140 0.000) 4.140 40.083 ( 0.000 0.201 0.000) 0.201 ======================= Grid point 14 (9/108) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 20.613 23.014 5.769) 31.430 0.899 ( 14.814 30.276 2.096) 33.771 1.753 ( 30.433 52.960 2.046) 61.116 1.955 ( 15.428 7.325 -5.260) 17.871 2.842 ( 6.650 8.597 -7.494) 13.202 2.900 ( 2.580 11.057 7.857) 13.807 2.951 ( 0.795 -16.305 -0.467) 16.331 3.164 ( 2.009 0.078 1.799) 2.698 3.327 ( 4.814 -2.440 2.615) 5.997 3.531 ( 6.394 -7.781 -3.491) 10.659 3.609 ( 3.644 -3.182 5.310) 7.183 3.622 ( 5.575 -0.025 1.708) 5.831 3.870 ( 2.876 -13.754 5.681) 15.156 3.938 ( 10.520 -12.433 -0.851) 16.309 4.112 ( 2.215 -1.187 -3.977) 4.704 4.216 ( 4.485 4.274 -9.584) 11.412 4.251 ( 1.930 6.767 0.786) 7.080 4.535 ( 1.556 9.820 7.334) 12.355 4.571 ( 1.720 6.642 -3.077) 7.519 4.638 ( 1.507 2.194 -9.499) 9.865 4.836 ( 13.324 15.557 1.582) 20.544 5.163 ( 13.225 7.831 -2.864) 15.635 5.255 ( -1.828 -3.605 3.835) 5.572 5.402 ( 6.243 -4.639 0.840) 7.823 5.631 ( 5.799 6.250 -0.004) 8.526 5.674 ( 2.193 -0.854 -0.901) 2.520 5.953 ( -6.223 -7.941 -7.069) 12.319 6.105 ( -2.998 -4.579 -3.528) 6.511 6.204 ( 0.179 -4.428 7.984) 9.131 6.325 ( 1.692 -0.947 7.888) 8.123 6.353 ( 1.728 -6.190 3.956) 7.547 6.587 ( -2.854 5.261 -2.732) 6.579 6.911 ( 1.015 8.298 6.723) 10.728 7.079 ( -1.350 -2.891 0.122) 3.193 7.101 ( -0.391 -5.968 -2.738) 6.578 7.202 ( 0.427 1.112 -1.468) 1.891 7.300 ( -0.746 -0.885 -0.147) 1.167 7.442 ( -2.165 -17.288 -3.960) 17.868 7.522 ( -5.508 -11.139 -1.798) 12.556 7.964 ( 2.599 -8.622 -5.953) 10.795 7.999 ( -1.876 1.082 1.144) 2.449 8.123 ( 2.101 -4.982 -0.854) 5.474 8.281 ( 1.007 -14.238 2.971) 14.579 8.379 ( 4.253 -6.354 -8.401) 11.359 8.554 ( 2.373 -0.324 3.176) 3.978 8.909 ( -2.598 0.585 0.879) 2.805 8.963 ( -1.472 -6.819 5.360) 8.798 9.129 ( -0.669 -2.856 -3.368) 4.466 9.259 ( -9.685 4.166 3.068) 10.980 9.378 ( -10.414 17.038 -2.001) 20.068 9.471 ( -12.769 5.546 1.984) 14.062 9.756 ( -4.044 -1.113 2.485) 4.875 9.917 ( -7.282 14.176 -7.470) 17.600 10.142 ( -3.144 -5.241 0.958) 6.186 10.455 ( 0.549 0.117 0.945) 1.099 10.551 ( -6.607 -3.089 5.435) 9.096 10.784 ( 4.584 1.713 5.318) 7.227 10.906 ( 4.465 6.777 0.366) 8.124 10.972 ( 5.039 6.850 -13.950) 16.338 12.220 ( -15.700 -2.249 8.837) 18.156 16.369 ( -0.122 1.062 0.479) 1.171 16.384 ( 0.258 -0.864 0.511) 1.036 16.547 ( 0.127 -3.429 -1.327) 3.679 16.650 ( -0.741 -3.574 0.270) 3.660 18.214 ( -0.429 5.706 1.400) 5.891 18.263 ( -0.338 1.499 -3.166) 3.520 18.366 ( 1.284 0.460 0.107) 1.368 18.481 ( 1.289 0.898 -0.122) 1.576 21.486 ( 1.540 -0.478 0.266) 1.635 21.516 ( 0.810 1.044 -0.722) 1.506 21.678 ( 9.371 -13.779 18.235) 24.702 21.715 ( 2.736 -2.408 -4.143) 5.518 27.284 ( 0.025 -0.056 -0.010) 0.062 27.298 ( -1.510 0.019 0.167) 1.520 27.341 ( 0.939 -0.700 -0.257) 1.199 27.353 ( 0.170 -0.195 0.114) 0.283 35.801 ( 18.538 -9.368 -25.884) 33.187 36.125 ( -0.142 -3.719 1.508) 4.016 36.204 ( -7.796 -3.295 0.941) 8.516 36.725 ( 11.201 -16.397 7.024) 21.064 38.013 ( -2.022 29.012 3.433) 29.284 38.958 ( -55.319 60.622 -24.722) 85.711 39.674 ( -8.061 -6.857 -1.234) 10.654 39.839 ( -10.195 2.747 -0.367) 10.565 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.15 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 25.166 19.491 -0.692) 31.839 1.461 ( 32.001 9.078 4.659) 33.589 2.267 ( 18.501 4.829 -9.068) 21.162 2.434 ( 32.749 30.445 4.434) 44.934 2.953 ( 8.746 7.117 -13.830) 17.844 3.007 ( 5.888 -15.956 -0.068) 17.008 3.082 ( 10.913 13.813 16.355) 24.029 3.243 ( 4.901 0.700 4.132) 6.448 3.440 ( 5.500 -7.395 1.825) 9.395 3.628 ( 5.429 -6.441 -1.107) 8.496 3.713 ( 6.409 -1.068 3.771) 7.512 3.854 ( 13.343 1.671 2.433) 13.666 3.946 ( 0.977 -7.266 7.427) 10.436 4.102 ( 8.596 -10.175 -0.467) 13.328 4.185 ( 6.886 -5.163 -10.016) 13.206 4.269 ( -0.474 3.310 -0.596) 3.397 4.287 ( 6.403 -0.789 -8.350) 10.552 4.589 ( 6.358 4.842 -12.045) 14.454 4.622 ( 3.592 2.206 5.559) 6.976 4.746 ( 7.861 0.853 3.257) 8.552 5.112 ( -0.927 -1.850 -6.640) 6.955 5.201 ( 17.330 16.621 3.840) 24.317 5.462 ( 4.176 -3.150 5.909) 7.892 5.570 ( 8.677 -5.491 -0.613) 10.287 5.687 ( -1.753 10.816 0.330) 10.962 5.802 ( 11.403 6.504 -0.079) 13.128 5.828 ( -1.708 -6.073 -6.805) 9.279 6.028 ( -1.206 -4.428 -0.815) 4.661 6.263 ( 2.338 1.157 3.859) 4.658 6.392 ( 1.882 0.999 7.355) 7.657 6.422 ( 3.924 2.843 3.791) 6.153 6.514 ( -1.274 4.082 -0.066) 4.277 6.976 ( 0.601 3.829 8.607) 9.439 7.056 ( 0.849 -0.686 -2.346) 2.587 7.090 ( 0.184 -5.439 -0.801) 5.501 7.190 ( -1.050 1.764 -3.016) 3.649 7.269 ( -4.116 -7.856 -0.398) 8.877 7.360 ( -2.572 -4.958 -6.393) 8.490 7.397 ( -5.398 -11.255 -0.093) 12.483 7.949 ( -2.243 -6.049 -3.862) 7.519 7.955 ( -1.923 0.542 -0.379) 2.034 8.075 ( -7.184 -5.998 -5.800) 11.010 8.184 ( -5.436 -2.224 0.603) 5.904 8.404 ( -1.405 0.075 -3.484) 3.758 8.678 ( 6.540 -7.067 0.961) 9.676 8.799 ( -7.200 2.246 4.136) 8.601 8.899 ( -12.461 -0.559 3.145) 12.863 9.040 ( -3.129 4.452 -0.500) 5.465 9.133 ( -2.896 -0.435 1.574) 3.325 9.251 ( -1.075 3.687 0.985) 3.965 9.288 ( -8.474 2.946 3.507) 9.633 9.584 ( -11.376 1.783 -2.018) 11.690 9.794 ( -3.866 6.278 -3.330) 8.090 10.061 ( -5.388 -4.130 -1.358) 6.923 10.334 ( -11.842 0.155 13.720) 18.124 10.417 ( -8.235 0.140 -5.078) 9.676 10.879 ( 3.079 0.583 -0.339) 3.152 10.988 ( 2.833 1.935 -16.093) 16.455 11.008 ( 4.955 5.933 2.938) 8.270 11.996 ( -11.124 -7.543 7.411) 15.348 16.382 ( 1.085 -0.222 -0.333) 1.157 16.393 ( 0.335 -0.645 0.805) 1.084 16.533 ( -1.153 -2.539 0.151) 2.792 16.627 ( -1.704 -4.015 0.129) 4.364 18.208 ( -0.805 5.662 2.006) 6.061 18.258 ( 0.791 2.168 -3.884) 4.518 18.394 ( 1.519 0.292 1.311) 2.028 18.511 ( 1.719 0.503 -0.178) 1.800 21.517 ( 1.618 0.368 -0.991) 1.933 21.547 ( 2.449 0.866 -0.255) 2.610 21.750 ( 2.523 -2.272 -5.659) 6.599 21.815 ( 0.011 -8.753 13.397) 16.003 27.268 ( -1.317 -0.033 -0.440) 1.389 27.286 ( 0.107 -0.386 0.048) 0.404 27.349 ( -0.341 -0.412 1.813) 1.890 27.369 ( 1.366 -1.112 -0.993) 2.022 36.015 ( 12.230 -10.378 -23.023) 28.059 36.026 ( -4.786 -2.660 2.714) 6.111 36.245 ( 5.196 0.544 2.510) 5.796 36.925 ( 6.447 -17.322 6.661) 19.647 37.968 ( -4.062 25.523 3.984) 26.149 38.195 ( -20.861 44.394 -9.156) 49.898 39.449 ( -14.337 -6.616 0.386) 15.795 39.562 ( -16.964 -0.262 -1.016) 16.997 ======================= Grid point 16 (11/108) ======================= q-point: ( 0.23 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 30.730 9.651 -4.233) 32.487 2.116 ( 32.138 6.992 3.749) 33.102 2.540 ( 13.068 2.659 -12.063) 17.982 2.986 ( 18.852 9.431 5.667) 21.828 3.090 ( 9.105 -0.287 -6.694) 11.305 3.179 ( 11.569 -3.342 0.573) 12.056 3.393 ( 8.945 -0.338 7.358) 11.588 3.465 ( 20.711 9.319 10.547) 25.041 3.576 ( 7.946 -7.551 2.161) 11.173 3.743 ( 5.411 -5.637 1.317) 7.924 3.846 ( 5.766 0.952 2.167) 6.233 3.954 ( -0.271 -3.241 0.383) 3.275 4.128 ( 12.008 2.149 3.019) 12.567 4.200 ( -0.811 -1.018 -8.302) 8.403 4.259 ( 4.730 -2.215 -3.192) 6.121 4.348 ( 10.668 -10.942 -0.785) 15.302 4.410 ( 8.542 -2.340 -4.067) 9.746 4.687 ( 4.836 2.704 -0.350) 5.552 4.756 ( 9.442 -2.575 -4.387) 10.725 4.917 ( 6.894 1.928 4.885) 8.666 5.088 ( 1.675 -1.646 -4.709) 5.262 5.403 ( -1.649 1.954 6.241) 6.744 5.451 ( -5.392 2.687 1.520) 6.213 5.580 ( -3.865 -5.217 -5.481) 8.497 5.692 ( 0.931 7.125 -0.205) 7.188 5.850 ( 4.747 1.039 4.809) 6.836 6.009 ( 8.151 2.879 2.835) 9.098 6.126 ( 7.795 8.229 -4.026) 12.029 6.279 ( -0.380 2.012 4.022) 4.513 6.449 ( 2.703 0.589 0.801) 2.880 6.540 ( 4.427 4.068 -1.121) 6.116 6.593 ( 7.672 11.734 7.496) 15.897 6.938 ( -8.033 -3.546 -13.311) 15.947 7.009 ( -3.619 -4.097 0.778) 5.522 7.096 ( 1.934 -4.733 -0.371) 5.126 7.153 ( -3.122 -1.108 -2.717) 4.285 7.253 ( 3.852 -0.096 5.079) 6.375 7.319 ( 2.464 -1.999 3.920) 5.043 7.375 ( 3.661 -1.821 -4.026) 5.739 7.835 ( -11.972 0.436 -6.688) 13.721 7.877 ( -4.009 -3.926 -0.536) 5.637 7.914 ( -1.812 -0.289 -3.703) 4.133 8.093 ( -4.315 2.323 0.446) 4.921 8.343 ( -3.190 2.426 0.569) 4.048 8.648 ( -9.594 1.070 4.677) 10.726 8.696 ( -6.216 1.887 2.160) 6.846 8.759 ( -0.042 -1.121 -0.949) 1.469 8.962 ( -1.737 0.800 -1.014) 2.164 9.128 ( -1.857 -0.932 3.578) 4.138 9.159 ( -5.808 1.593 3.720) 7.079 9.254 ( 0.571 -0.683 -1.616) 1.845 9.388 ( -6.643 0.824 -1.661) 6.897 9.693 ( -5.551 1.009 -2.073) 6.011 9.929 ( -6.888 -5.055 -1.277) 8.638 10.143 ( -12.777 -2.517 12.492) 18.046 10.205 ( -11.007 -0.969 -0.377) 11.056 10.861 ( -2.347 0.696 -12.945) 13.175 11.004 ( 3.023 -1.174 -4.668) 5.684 11.118 ( 4.734 3.325 2.745) 6.404 11.798 ( -11.827 -9.034 4.461) 15.537 16.400 ( 0.078 -0.362 0.675) 0.769 16.402 ( 1.033 -0.521 -0.549) 1.281 16.510 ( -1.285 -1.729 0.945) 2.352 16.586 ( -2.276 -3.466 -0.287) 4.156 18.199 ( -0.883 5.367 1.910) 5.764 18.259 ( 0.543 2.797 -3.286) 4.349 18.435 ( 1.968 -0.227 1.467) 2.465 18.544 ( 1.714 -0.376 -0.315) 1.783 21.544 ( 1.656 0.898 -1.763) 2.580 21.597 ( 2.352 0.544 0.304) 2.433 21.764 ( 0.884 -1.916 -4.888) 5.324 21.825 ( -2.502 -4.467 8.622) 10.028 27.244 ( -0.882 0.062 -0.477) 1.005 27.286 ( -0.270 -0.146 -0.008) 0.307 27.349 ( -0.297 -0.837 1.901) 2.098 27.392 ( 1.280 -1.279 -0.924) 2.032 35.996 ( 0.244 -0.130 3.446) 3.457 36.132 ( 7.432 -6.643 -16.015) 18.864 36.367 ( 5.942 1.157 2.577) 6.579 37.036 ( 3.066 -15.215 4.596) 16.187 37.880 ( -5.388 22.890 -1.756) 23.581 37.922 ( -7.140 23.700 2.230) 24.853 39.131 ( -17.547 -5.765 0.612) 18.480 39.191 ( -19.564 -2.752 -1.037) 19.784 ======================= Grid point 17 (12/108) ======================= q-point: ( 0.31 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 29.723 2.596 -7.184) 30.688 2.698 ( 15.311 5.723 -6.751) 17.685 2.751 ( 23.408 2.776 -1.230) 23.604 3.245 ( 7.806 1.331 -2.733) 8.377 3.250 ( 7.988 -6.459 7.691) 12.833 3.435 ( 11.194 3.667 2.344) 12.010 3.618 ( 10.404 -0.755 5.482) 11.784 3.739 ( 4.836 -11.030 -0.796) 12.070 3.763 ( 7.809 -7.617 -5.450) 12.194 3.904 ( 7.704 1.641 5.848) 9.810 3.934 ( 2.730 -3.730 5.972) 7.552 4.017 ( 6.631 5.352 0.845) 8.563 4.115 ( -0.675 3.992 -5.183) 6.577 4.301 ( 2.967 5.738 -3.747) 7.468 4.435 ( 14.621 -1.262 2.800) 14.940 4.527 ( 6.846 -5.539 0.608) 8.827 4.595 ( 9.553 -3.607 2.770) 10.580 4.782 ( 5.146 -1.622 0.759) 5.449 4.909 ( 6.107 -4.166 -2.425) 7.780 4.999 ( 0.324 -0.683 -2.123) 2.254 5.137 ( 4.077 -0.262 -1.143) 4.242 5.326 ( -6.077 1.961 4.158) 7.620 5.381 ( -4.605 -2.556 7.916) 9.508 5.454 ( -1.424 2.581 -2.143) 3.644 5.685 ( -1.737 7.329 -3.497) 8.304 5.901 ( -1.372 2.542 3.085) 4.226 6.118 ( 1.643 10.122 -0.214) 10.256 6.203 ( -0.496 5.161 2.971) 5.976 6.308 ( -0.808 -1.296 3.480) 3.800 6.468 ( -2.368 0.308 -3.418) 4.169 6.538 ( -2.638 4.233 -4.135) 6.479 6.653 ( -9.403 -1.853 -13.327) 16.415 6.776 ( 5.898 13.217 6.097) 15.705 6.984 ( -0.657 -0.446 -1.559) 1.750 7.063 ( -3.920 -1.076 -3.183) 5.163 7.170 ( 5.386 -4.001 -0.540) 6.731 7.277 ( -1.293 -0.235 1.780) 2.213 7.443 ( 2.040 -0.838 -5.557) 5.979 7.539 ( 5.074 2.241 -1.787) 5.828 7.651 ( 6.725 1.182 3.672) 7.753 7.827 ( -2.338 -2.229 -0.377) 3.252 7.866 ( -0.541 1.543 -4.952) 5.215 8.070 ( 3.387 3.151 5.409) 7.118 8.320 ( 0.867 0.560 2.027) 2.274 8.524 ( -4.228 0.373 3.844) 5.727 8.610 ( -3.505 1.471 1.739) 4.180 8.712 ( -3.433 0.911 -1.426) 3.827 8.940 ( -1.630 -2.206 0.694) 2.830 9.093 ( -1.524 0.945 2.512) 3.086 9.115 ( 1.135 2.603 0.121) 2.842 9.235 ( -1.384 -2.848 -3.182) 4.489 9.325 ( 0.095 1.236 -0.535) 1.350 9.563 ( -6.756 -1.649 -1.413) 7.096 9.791 ( -7.219 -5.901 -0.320) 9.329 9.910 ( -13.098 -2.002 4.741) 14.072 10.014 ( -10.241 -5.900 6.751) 13.611 10.722 ( -6.580 1.078 -11.542) 13.330 11.054 ( 2.990 -4.188 -1.807) 5.454 11.206 ( 3.285 1.324 1.651) 3.907 11.553 ( -14.168 -7.061 2.255) 15.990 16.399 ( -0.375 -0.134 0.575) 0.699 16.418 ( 0.703 -0.456 -0.539) 0.996 16.491 ( -0.949 -1.104 0.895) 1.709 16.540 ( -2.078 -2.339 -0.441) 3.160 18.189 ( -0.726 4.986 1.511) 5.261 18.256 ( 0.262 3.041 -2.346) 3.850 18.478 ( 1.782 -0.655 1.209) 2.251 18.575 ( 1.463 -1.330 -0.435) 2.025 21.566 ( 1.150 0.951 -1.577) 2.171 21.638 ( 1.577 0.338 0.353) 1.651 21.752 ( -0.461 -1.455 -3.372) 3.702 21.796 ( -2.767 -2.337 5.294) 6.414 27.230 ( -0.464 0.227 -0.329) 0.612 27.274 ( -0.911 0.641 0.138) 1.123 27.354 ( 0.188 -1.454 1.330) 1.980 27.411 ( 0.972 -1.340 -0.789) 1.833 36.043 ( 2.894 0.761 2.927) 4.186 36.200 ( 4.611 -3.728 -10.459) 12.023 36.489 ( 5.161 1.720 2.798) 6.118 37.091 ( 1.400 -11.715 2.605) 12.082 37.799 ( -1.530 15.098 -0.667) 15.190 37.845 ( -2.347 14.781 1.610) 15.053 38.780 ( -17.872 -4.391 0.670) 18.415 38.806 ( -18.737 -3.639 -0.958) 19.111 ======================= Grid point 18 (13/108) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 11.473 -1.829 -6.936) 13.531 2.952 ( 19.658 -2.640 -7.013) 21.037 3.230 ( 17.960 5.169 0.831) 18.708 3.352 ( 3.504 -4.011 1.080) 5.435 3.407 ( 6.432 1.890 5.742) 8.827 3.574 ( 3.068 -3.890 -2.327) 5.473 3.726 ( 2.271 -7.648 0.637) 8.004 3.817 ( 1.431 -5.651 0.761) 5.879 3.883 ( 3.535 -4.755 -2.264) 6.343 3.968 ( -2.379 2.235 -6.324) 7.116 4.016 ( 9.291 3.123 1.887) 9.982 4.125 ( 8.317 2.705 5.755) 10.469 4.229 ( 5.275 5.507 4.074) 8.645 4.341 ( 3.860 13.732 -2.967) 14.569 4.592 ( 1.671 -2.065 2.919) 3.947 4.721 ( 4.073 0.030 8.095) 9.062 4.757 ( 6.190 -4.569 1.029) 7.762 4.899 ( 7.681 1.759 -0.823) 7.923 4.974 ( 0.656 -5.239 2.940) 6.044 5.001 ( 3.199 -4.531 -1.355) 5.710 5.160 ( -2.169 -5.633 3.519) 6.987 5.280 ( -1.572 -1.203 1.483) 2.473 5.311 ( 0.189 3.351 2.249) 4.040 5.508 ( 0.981 5.681 -0.183) 5.768 5.633 ( 0.156 8.330 -2.755) 8.776 5.865 ( -3.791 8.890 1.193) 9.738 6.043 ( -5.398 6.319 -6.348) 10.458 6.154 ( -8.879 2.401 -2.638) 9.569 6.193 ( -4.213 -6.136 -1.952) 7.695 6.306 ( -7.232 2.012 -2.189) 7.820 6.461 ( -2.747 1.987 -5.145) 6.162 6.609 ( 2.196 3.238 0.137) 3.915 6.843 ( -3.318 16.109 10.273) 19.392 6.956 ( -1.610 -0.727 -1.305) 2.196 6.990 ( -1.313 -0.335 -4.106) 4.323 7.171 ( -5.028 0.258 -2.557) 5.647 7.311 ( 6.527 -3.626 -0.624) 7.493 7.386 ( -2.719 -1.414 -1.982) 3.649 7.575 ( 2.491 1.036 -3.619) 4.514 7.754 ( -2.234 -0.970 -3.829) 4.538 7.853 ( 0.575 5.819 -2.348) 6.301 8.041 ( 21.095 -2.004 2.505) 21.338 8.259 ( 9.431 -0.027 10.072) 13.798 8.365 ( 2.279 -1.318 -0.037) 2.633 8.498 ( -0.908 -0.777 4.095) 4.266 8.571 ( -0.871 1.533 1.686) 2.440 8.632 ( -3.757 -0.258 -0.763) 3.842 8.941 ( 2.271 -4.123 -0.198) 4.711 9.084 ( -0.221 2.285 -0.976) 2.495 9.172 ( 2.733 -1.819 -0.095) 3.285 9.239 ( 3.884 0.916 -1.312) 4.201 9.350 ( 2.159 2.121 0.785) 3.126 9.433 ( -4.876 -4.810 -1.547) 7.022 9.608 ( -11.188 -3.990 1.469) 11.969 9.721 ( -7.308 -4.825 3.663) 9.493 9.833 ( -9.256 -4.977 0.029) 10.510 10.537 ( -8.337 2.566 -5.537) 10.332 11.101 ( 2.135 -6.467 -0.873) 6.866 11.230 ( -7.194 -1.860 -0.316) 7.437 11.299 ( -5.626 -1.578 1.909) 6.147 16.392 ( -0.502 0.090 0.287) 0.585 16.427 ( 0.374 -0.369 -0.255) 0.584 16.479 ( -0.587 -0.672 0.492) 1.019 16.505 ( -1.326 -1.374 -0.299) 1.933 18.182 ( -0.467 4.666 0.968) 4.789 18.252 ( 0.125 3.109 -1.406) 3.414 18.511 ( 1.169 -1.028 0.811) 1.755 18.598 ( 1.000 -2.053 -0.391) 2.317 21.578 ( 0.536 0.894 -1.019) 1.458 21.662 ( 0.860 0.181 0.166) 0.894 21.728 ( -0.864 -1.129 -1.835) 2.322 21.762 ( -2.053 -1.291 2.880) 3.765 27.222 ( -0.262 0.352 -0.048) 0.441 27.256 ( -0.821 1.302 0.023) 1.539 27.363 ( 0.292 -1.747 0.757) 1.926 27.424 ( 0.583 -1.386 -0.546) 1.600 36.114 ( 2.970 0.837 1.963) 3.657 36.239 ( 2.577 -2.028 -5.906) 6.756 36.584 ( 3.462 2.172 2.139) 4.613 37.116 ( 0.474 -8.020 1.183) 8.120 37.812 ( 2.630 8.254 0.712) 8.692 37.847 ( 2.624 8.822 -0.305) 9.209 38.445 ( -16.140 -2.650 0.935) 16.383 38.462 ( -15.386 -2.722 -1.099) 15.663 ======================= Grid point 19 (14/108) ======================= q-point: ( 0.46 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 5.502 -5.082 -1.814) 7.707 3.209 ( 7.253 -6.393 -2.507) 9.988 3.310 ( -2.815 -4.752 -1.431) 5.706 3.430 ( 1.166 1.235 3.709) 4.080 3.592 ( 5.519 0.098 -2.665) 6.130 3.632 ( 7.039 -1.962 -3.302) 8.018 3.747 ( -2.531 -3.744 2.901) 5.370 3.810 ( -1.819 -8.100 -0.547) 8.319 3.877 ( -0.326 4.664 -0.889) 4.759 3.963 ( 2.980 6.960 -0.166) 7.573 4.210 ( 4.581 3.326 3.674) 6.749 4.277 ( 8.056 2.615 -3.027) 8.994 4.326 ( 2.889 4.617 1.997) 5.800 4.391 ( -1.092 15.885 1.767) 16.020 4.634 ( 2.714 0.383 2.033) 3.412 4.722 ( -2.465 1.687 1.494) 3.340 4.768 ( -3.119 -0.210 -0.190) 3.132 4.984 ( 0.759 -4.798 0.156) 4.860 5.020 ( 0.289 -7.471 1.940) 7.724 5.074 ( 3.444 -7.325 0.953) 8.150 5.216 ( 3.104 1.111 2.126) 3.923 5.272 ( 3.702 5.364 4.593) 7.973 5.342 ( 0.036 2.623 5.052) 5.693 5.436 ( -4.631 7.460 -6.681) 11.034 5.644 ( -1.848 1.176 -3.479) 4.111 5.742 ( -3.598 9.168 -4.441) 10.804 5.971 ( -3.035 3.666 -1.467) 4.980 6.017 ( 1.302 -7.086 -3.056) 7.826 6.154 ( -0.907 0.427 2.412) 2.612 6.196 ( -4.129 2.428 0.484) 4.815 6.393 ( -1.985 3.836 -2.828) 5.162 6.654 ( 2.571 5.221 -1.043) 5.912 6.745 ( -6.569 13.398 5.396) 15.867 6.933 ( -0.512 -0.039 -0.431) 0.670 6.984 ( 0.504 -3.440 -0.055) 3.477 7.090 ( -1.945 3.696 -2.135) 4.690 7.350 ( -0.527 -4.560 -0.415) 4.609 7.416 ( 3.103 -4.805 -0.029) 5.720 7.598 ( 0.863 1.865 -1.205) 2.382 7.712 ( -0.756 0.231 -1.858) 2.019 7.859 ( 0.574 8.827 -1.268) 8.936 8.354 ( 4.563 -1.148 6.448) 7.982 8.407 ( 3.144 -1.414 -10.274) 10.837 8.422 ( 3.468 -0.600 7.014) 7.847 8.488 ( -0.959 -1.289 -0.952) 1.867 8.587 ( -0.429 -1.936 0.126) 1.987 8.645 ( 10.367 -2.094 6.453) 12.389 8.922 ( -6.909 -7.317 -3.970) 10.818 9.100 ( 2.465 3.466 0.245) 4.260 9.212 ( -5.671 0.776 2.375) 6.197 9.236 ( 3.006 -4.989 0.564) 5.852 9.406 ( -3.274 0.038 4.039) 5.199 9.430 ( 3.775 -3.666 -2.773) 5.948 9.493 ( 5.394 -4.243 0.061) 6.863 9.618 ( -4.104 -6.293 0.821) 7.558 9.663 ( -6.764 -1.201 -3.961) 7.930 10.387 ( -4.469 4.651 -0.894) 6.511 11.016 ( -7.514 1.153 0.013) 7.602 11.128 ( 0.770 -7.624 -0.321) 7.670 11.302 ( 0.532 -1.082 0.419) 1.276 16.385 ( -0.221 0.247 0.074) 0.339 16.431 ( 0.117 -0.342 -0.062) 0.367 16.472 ( -0.206 -0.452 0.140) 0.516 16.487 ( -0.442 -0.874 -0.092) 0.984 18.178 ( -0.161 4.489 0.334) 4.505 18.251 ( 0.042 3.129 -0.470) 3.165 18.529 ( 0.399 -1.267 0.288) 1.359 18.610 ( 0.359 -2.418 -0.157) 2.450 21.582 ( 0.139 0.852 -0.344) 0.930 21.674 ( 0.321 0.175 -0.008) 0.366 21.709 ( -0.447 -1.067 -0.536) 1.275 21.741 ( -0.761 -0.839 0.926) 1.463 27.218 ( -0.136 0.431 0.070) 0.457 27.245 ( -0.263 1.641 -0.068) 1.664 27.369 ( 0.120 -1.828 0.250) 1.849 27.430 ( 0.191 -1.414 -0.196) 1.440 36.162 ( 1.215 0.683 0.704) 1.562 36.258 ( 0.836 -1.284 -1.906) 2.446 36.637 ( 1.215 2.497 0.788) 2.887 37.123 ( 0.035 -5.592 0.304) 5.600 37.895 ( 4.528 3.445 0.612) 5.722 37.945 ( 7.055 4.218 -0.652) 8.246 38.168 ( -11.687 -0.694 0.807) 11.736 38.208 ( -8.911 -0.397 -0.730) 8.950 ======================= Grid point 26 (15/108) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 32.192 0.000) 32.192 1.546 ( 0.000 38.322 0.000) 38.322 2.058 ( 0.000 18.322 0.000) 18.322 2.405 ( 0.000 -17.727 0.000) 17.727 2.556 ( 0.000 10.540 0.000) 10.540 2.953 ( 0.000 23.240 0.000) 23.240 3.076 ( 0.000 -20.069 0.000) 20.069 3.146 ( 0.000 13.709 0.000) 13.709 3.186 ( 0.000 -1.390 0.000) 1.390 3.283 ( 0.000 1.133 0.000) 1.133 3.500 ( 0.000 1.485 0.000) 1.485 3.572 ( 0.000 -4.072 0.000) 4.072 3.621 ( 0.000 -5.069 0.000) 5.069 3.731 ( 0.000 5.532 0.000) 5.532 4.028 ( 0.000 -6.242 0.000) 6.242 4.354 ( 0.000 0.698 0.000) 0.698 4.505 ( 0.000 22.151 0.000) 22.151 4.711 ( 0.000 8.616 0.000) 8.616 4.819 ( 0.000 14.406 0.000) 14.406 4.826 ( 0.000 8.454 0.000) 8.454 4.969 ( 0.000 1.270 0.000) 1.270 5.005 ( 0.000 12.503 0.000) 12.503 5.217 ( 0.000 -11.452 0.000) 11.452 5.273 ( 0.000 -6.947 0.000) 6.947 5.365 ( 0.000 -17.399 0.000) 17.399 5.446 ( 0.000 -7.342 0.000) 7.342 5.856 ( 0.000 -14.542 0.000) 14.542 5.876 ( 0.000 -14.762 0.000) 14.762 6.216 ( 0.000 0.415 0.000) 0.415 6.243 ( 0.000 -1.582 0.000) 1.582 6.332 ( 0.000 11.661 0.000) 11.661 6.679 ( 0.000 0.899 0.000) 0.899 6.940 ( 0.000 -5.235 0.000) 5.235 7.004 ( 0.000 2.426 0.000) 2.426 7.102 ( 0.000 -5.254 0.000) 5.254 7.109 ( 0.000 -0.395 0.000) 0.395 7.265 ( 0.000 -5.822 0.000) 5.822 7.299 ( 0.000 -13.676 0.000) 13.676 7.401 ( 0.000 4.583 0.000) 4.583 7.761 ( 0.000 -6.007 0.000) 6.007 7.942 ( 0.000 -15.491 0.000) 15.491 7.950 ( 0.000 -5.929 0.000) 5.929 8.109 ( 0.000 3.686 0.000) 3.686 8.233 ( 0.000 -2.596 0.000) 2.596 8.617 ( 0.000 4.850 0.000) 4.850 8.838 ( 0.000 -4.450 0.000) 4.450 8.942 ( 0.000 -1.142 0.000) 1.142 9.054 ( 0.000 -4.053 0.000) 4.053 9.456 ( 0.000 4.618 0.000) 4.618 9.612 ( 0.000 -1.732 0.000) 1.732 9.788 ( 0.000 1.745 0.000) 1.745 9.839 ( 0.000 3.767 0.000) 3.767 10.141 ( 0.000 1.941 0.000) 1.941 10.224 ( 0.000 8.195 0.000) 8.195 10.237 ( 0.000 -1.701 0.000) 1.701 10.542 ( 0.000 -5.107 0.000) 5.107 10.854 ( 0.000 5.274 0.000) 5.274 10.928 ( 0.000 2.481 0.000) 2.481 11.338 ( 0.000 24.618 0.000) 24.618 12.194 ( 0.000 -17.102 0.000) 17.102 16.367 ( 0.000 0.123 0.000) 0.123 16.442 ( 0.000 3.604 0.000) 3.604 16.464 ( 0.000 -4.319 0.000) 4.319 16.588 ( 0.000 -3.669 0.000) 3.669 18.307 ( 0.000 0.593 0.000) 0.593 18.328 ( 0.000 0.681 0.000) 0.681 18.340 ( 0.000 5.245 0.000) 5.245 18.474 ( 0.000 -0.571 0.000) 0.571 21.424 ( 0.000 0.524 0.000) 0.524 21.454 ( 0.000 -0.912 0.000) 0.912 21.536 ( 0.000 1.740 0.000) 1.740 21.639 ( 0.000 -3.147 0.000) 3.147 27.289 ( 0.000 0.365 0.000) 0.365 27.312 ( 0.000 -0.845 0.000) 0.845 27.328 ( 0.000 0.717 0.000) 0.717 27.351 ( 0.000 -0.324 0.000) 0.324 35.700 ( 0.000 6.623 0.000) 6.623 36.031 ( 0.000 -7.245 0.000) 7.245 36.211 ( 0.000 -6.494 0.000) 6.494 36.299 ( 0.000 -7.189 0.000) 7.189 38.641 ( 0.000 31.158 0.000) 31.158 39.539 ( 0.000 -14.573 0.000) 14.573 40.018 ( 0.000 3.493 0.000) 3.493 40.084 ( 0.000 -0.239 0.000) 0.239 ======================= Grid point 27 (16/108) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 10.914 27.458 3.700) 29.778 1.583 ( 4.298 36.227 1.564) 36.514 2.159 ( 9.789 13.591 -3.025) 17.020 2.453 ( 5.027 -20.472 0.330) 21.083 2.682 ( 11.464 5.536 0.105) 12.732 3.003 ( -1.292 4.465 0.310) 4.659 3.071 ( 9.381 10.522 -1.353) 14.162 3.224 ( 4.189 4.309 4.520) 7.520 3.242 ( 6.013 0.658 -3.930) 7.214 3.353 ( 6.863 3.236 -1.450) 7.725 3.566 ( 2.538 -1.777 4.251) 5.260 3.598 ( 6.053 -0.033 4.510) 7.549 3.738 ( 5.936 -5.308 8.262) 11.475 3.787 ( 7.947 0.952 -8.431) 11.626 4.040 ( 1.894 -6.044 -2.062) 6.661 4.367 ( -0.252 2.705 2.811) 3.909 4.462 ( -1.803 16.522 -9.041) 18.920 4.672 ( -5.931 4.313 -0.215) 7.337 4.728 ( -3.206 5.741 -7.800) 10.202 4.744 ( 2.036 9.655 2.352) 10.144 5.111 ( -5.065 -5.230 -1.576) 7.449 5.149 ( 17.019 12.699 5.792) 22.010 5.266 ( 9.582 -4.363 -1.486) 10.633 5.292 ( 2.588 -5.152 2.424) 6.254 5.446 ( 10.099 -17.450 -4.606) 20.681 5.666 ( 14.622 -0.786 2.327) 14.827 5.835 ( 1.798 -7.696 -5.679) 9.732 5.965 ( 3.430 -8.471 9.323) 13.055 6.203 ( -2.985 1.318 0.493) 3.300 6.263 ( 4.830 0.506 3.207) 5.820 6.354 ( 2.082 5.921 4.006) 7.446 6.652 ( -2.375 -0.043 -3.611) 4.323 6.944 ( 0.472 -4.682 -1.424) 4.917 7.030 ( 0.548 -0.646 -0.033) 0.848 7.063 ( -0.558 3.308 4.451) 5.574 7.125 ( -0.008 -6.535 -4.154) 7.743 7.231 ( -4.353 -10.054 3.134) 11.395 7.285 ( 0.676 -7.085 -6.823) 9.859 7.367 ( -1.310 6.288 -1.175) 6.529 7.804 ( 2.849 -9.430 -4.265) 10.735 7.924 ( -0.306 -10.045 -3.131) 10.526 7.979 ( 0.597 -8.836 4.703) 10.028 8.123 ( 0.983 3.223 3.056) 4.549 8.284 ( 4.265 -3.501 0.130) 5.519 8.615 ( 0.158 4.995 -0.852) 5.069 8.851 ( 0.577 -5.586 1.174) 5.737 8.912 ( -2.861 0.266 2.855) 4.051 9.045 ( -0.964 -5.199 -2.436) 5.821 9.353 ( -9.373 5.400 1.600) 10.935 9.524 ( -8.131 -0.792 -0.594) 8.191 9.609 ( -13.481 5.640 -0.255) 14.615 9.739 ( -8.797 -1.056 3.066) 9.376 10.113 ( -7.538 7.869 4.725) 11.877 10.153 ( 0.100 7.360 -8.032) 10.894 10.374 ( 6.975 -6.057 -7.482) 11.888 10.468 ( -9.532 -5.295 12.419) 16.526 10.875 ( 3.248 5.159 -4.375) 7.504 10.974 ( 4.823 0.999 -9.810) 10.977 11.289 ( -5.168 21.716 4.497) 22.771 12.049 ( -13.567 -14.214 5.984) 20.540 16.372 ( 0.455 0.113 0.362) 0.592 16.413 ( -1.881 2.701 1.350) 3.557 16.473 ( 0.477 -3.550 -0.898) 3.693 16.574 ( -1.410 -4.093 0.178) 4.332 18.292 ( 0.142 1.989 -2.250) 3.007 18.343 ( 0.025 6.060 1.405) 6.220 18.358 ( 1.900 -0.816 -1.670) 2.658 18.486 ( 0.991 -0.718 0.634) 1.379 21.478 ( 2.200 -0.171 0.897) 2.382 21.524 ( 6.209 -3.788 6.086) 9.484 21.546 ( 1.647 1.923 -0.557) 2.593 21.658 ( 2.226 -3.339 -2.988) 5.003 27.284 ( -0.439 0.072 0.026) 0.446 27.294 ( -1.463 -0.345 0.473) 1.576 27.336 ( 0.615 0.150 -0.520) 0.819 27.349 ( -0.045 -0.267 -0.221) 0.349 35.770 ( 7.571 3.059 -7.343) 10.982 36.004 ( -2.770 -7.469 0.800) 8.006 36.186 ( 1.680 1.258 1.767) 2.744 36.440 ( 8.997 -12.447 1.914) 15.477 38.597 ( -5.096 29.613 3.885) 30.299 39.452 ( -10.898 -11.888 5.091) 16.912 39.653 ( -31.260 15.392 -15.564) 38.162 39.876 ( -13.621 0.540 -1.529) 13.717 ======================= Grid point 28 (17/108) ======================= q-point: ( 0.15 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 22.030 16.983 6.482) 28.562 1.764 ( 14.810 28.583 1.327) 32.219 2.378 ( 12.894 3.801 -2.790) 13.729 2.597 ( 8.749 -17.767 -2.369) 19.946 2.941 ( 13.670 -8.215 -0.736) 15.966 3.036 ( 5.389 3.580 3.198) 7.217 3.270 ( 9.401 7.158 -3.441) 12.306 3.327 ( 4.932 7.455 -3.533) 9.612 3.421 ( 12.519 5.953 4.640) 14.618 3.489 ( 7.535 -1.816 -5.586) 9.554 3.672 ( 5.250 6.750 14.055) 16.452 3.778 ( 8.414 -1.482 2.622) 8.937 3.894 ( 8.623 -1.861 7.143) 11.351 3.948 ( 10.916 -4.630 -9.411) 15.138 4.104 ( 6.129 -5.472 -5.170) 9.708 4.335 ( -3.359 3.344 -1.067) 4.858 4.384 ( -0.965 7.788 -9.850) 12.594 4.636 ( 1.662 0.337 2.204) 2.780 4.709 ( 2.731 5.098 -5.026) 7.662 4.859 ( 7.346 7.396 6.178) 12.117 5.041 ( -1.270 -1.327 -0.669) 1.955 5.294 ( -0.797 -9.951 3.134) 10.463 5.449 ( 8.994 -9.074 -5.456) 13.892 5.464 ( 4.803 -2.103 2.097) 5.647 5.641 ( 13.628 -0.453 1.978) 13.778 5.883 ( 7.244 6.036 1.288) 9.517 5.962 ( -3.023 1.780 6.325) 7.233 6.020 ( 13.889 6.628 -5.362) 16.297 6.222 ( 4.646 -2.876 3.575) 6.530 6.383 ( 4.004 3.440 4.610) 7.008 6.505 ( 11.502 1.909 3.095) 12.063 6.577 ( -2.091 -0.245 -3.382) 3.984 6.935 ( -0.350 -1.515 -2.366) 2.831 6.998 ( -1.708 -2.778 0.466) 3.294 7.042 ( -5.559 -9.236 -8.356) 13.639 7.139 ( -4.213 -9.044 -1.252) 10.055 7.154 ( 4.724 4.231 3.955) 7.474 7.300 ( 3.054 -1.731 -4.267) 5.525 7.369 ( 1.511 7.666 1.310) 7.922 7.819 ( 1.110 -9.260 -6.516) 11.378 7.901 ( -1.129 -4.774 -3.065) 5.784 7.979 ( -2.085 -3.405 2.870) 4.917 8.149 ( -0.670 1.299 5.089) 5.295 8.350 ( 1.148 -4.598 -0.181) 4.743 8.640 ( 3.354 2.819 -1.142) 4.528 8.816 ( -4.258 -0.198 2.232) 4.812 8.871 ( -5.919 -1.992 4.917) 7.949 9.005 ( -0.301 -7.062 -2.367) 7.454 9.168 ( -8.986 4.504 1.665) 10.189 9.339 ( -9.327 1.515 2.668) 9.819 9.368 ( -9.805 4.070 -1.257) 10.690 9.544 ( -10.986 -3.565 1.322) 11.626 9.936 ( -10.689 7.854 3.251) 13.657 10.090 ( -4.584 6.828 -7.681) 11.254 10.278 ( -13.731 -5.806 12.053) 19.171 10.367 ( -4.670 -4.878 -9.112) 11.342 10.919 ( 2.229 3.033 -5.996) 7.079 11.004 ( 1.797 -0.284 -12.373) 12.506 11.214 ( -3.484 14.406 7.832) 16.763 11.796 ( -13.495 -12.895 8.320) 20.436 16.384 ( 0.505 0.110 0.728) 0.893 16.396 ( -0.246 1.461 0.513) 1.568 16.474 ( -0.115 -2.990 -0.081) 2.994 16.542 ( -1.632 -4.355 -0.105) 4.652 18.295 ( 0.742 2.991 -2.109) 3.734 18.347 ( -0.210 6.180 1.526) 6.369 18.387 ( 1.788 -0.880 -1.587) 2.548 18.509 ( 0.870 -1.138 0.784) 1.633 21.530 ( 2.448 1.122 0.475) 2.735 21.572 ( 2.158 1.471 -1.367) 2.948 21.666 ( 3.818 -5.715 7.303) 10.029 21.694 ( 2.552 -3.261 -3.758) 5.592 27.267 ( -1.226 -0.035 -0.128) 1.233 27.276 ( -0.201 -0.531 -0.216) 0.608 27.343 ( -0.256 -0.132 1.138) 1.174 27.352 ( 0.712 -0.583 -0.835) 1.243 35.906 ( 8.602 -1.625 -8.839) 12.440 35.969 ( -0.587 -3.061 1.724) 3.562 36.279 ( 6.106 3.493 1.956) 7.302 36.616 ( 7.789 -14.082 2.081) 16.227 38.475 ( -8.762 25.798 5.032) 27.706 38.925 ( -29.603 28.424 -6.661) 41.577 39.264 ( -13.692 -12.286 -0.779) 18.413 39.518 ( -20.614 -4.893 -2.398) 21.322 ======================= Grid point 29 (18/108) ======================= q-point: ( 0.23 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 20.995 16.519 -3.759) 26.978 2.275 ( 28.382 10.642 9.563) 31.784 2.610 ( 10.821 2.883 -8.948) 14.334 2.778 ( 11.236 -18.193 5.584) 22.100 3.167 ( 8.453 0.053 1.817) 8.646 3.250 ( 15.135 -3.966 -4.525) 16.287 3.403 ( 6.006 2.775 -0.916) 6.679 3.443 ( 6.572 0.324 -0.698) 6.617 3.580 ( 5.251 1.762 -1.521) 5.744 3.662 ( 7.971 -13.367 -5.326) 16.449 3.836 ( 5.818 8.183 10.634) 14.625 3.944 ( 9.289 7.533 3.264) 12.397 4.123 ( 10.309 -6.408 7.706) 14.378 4.171 ( 12.819 0.789 -7.579) 14.913 4.235 ( 9.161 -1.310 -6.274) 11.180 4.271 ( 0.327 4.643 -1.090) 4.781 4.395 ( 5.095 1.406 -6.555) 8.421 4.669 ( 0.044 -4.530 6.485) 7.910 4.797 ( 6.967 5.437 -5.028) 10.167 5.029 ( -0.085 2.554 -0.840) 2.690 5.046 ( 7.978 2.557 3.456) 9.062 5.312 ( 0.961 -4.389 9.313) 10.340 5.407 ( -5.746 -6.831 1.103) 8.994 5.571 ( 3.465 -5.585 -1.582) 6.760 5.787 ( -4.288 7.437 -0.530) 8.601 5.953 ( 7.661 8.390 4.196) 12.112 6.088 ( 4.824 2.671 6.221) 8.313 6.226 ( 7.530 -0.911 -4.155) 8.649 6.345 ( 6.101 4.390 3.565) 8.319 6.431 ( 0.552 -0.652 -0.473) 0.976 6.617 ( 6.187 2.898 -2.242) 7.191 6.716 ( 6.702 -0.225 -2.497) 7.155 6.848 ( -7.871 -3.777 -10.430) 13.602 6.952 ( 3.149 1.560 -2.413) 4.263 7.007 ( 2.077 -5.076 0.026) 5.484 7.051 ( -3.331 -5.361 -4.306) 7.641 7.275 ( 6.792 2.048 1.184) 7.192 7.372 ( 5.965 -0.955 -4.873) 7.761 7.449 ( 5.546 12.419 6.351) 15.010 7.787 ( -3.480 -4.736 -4.818) 7.599 7.851 ( -2.752 1.820 -0.670) 3.367 7.937 ( -2.041 1.418 0.290) 2.502 8.133 ( -1.978 2.270 3.364) 4.515 8.328 ( -2.734 -3.326 2.284) 4.874 8.689 ( -6.325 2.269 3.218) 7.450 8.717 ( -2.836 1.169 0.209) 3.074 8.749 ( -2.342 0.591 1.313) 2.749 8.940 ( -6.797 -6.355 0.563) 9.323 9.083 ( 0.047 0.121 1.300) 1.307 9.204 ( -4.801 -0.287 2.232) 5.302 9.244 ( -3.403 0.482 -0.878) 3.548 9.360 ( -6.771 -3.024 1.144) 7.503 9.735 ( -10.612 3.791 2.602) 11.565 9.920 ( -9.077 4.657 -6.915) 12.325 10.037 ( -14.688 -7.625 11.237) 20.004 10.162 ( -11.755 -3.991 -6.714) 14.113 10.887 ( -2.583 2.008 -10.697) 11.186 10.974 ( 0.087 -1.885 -7.155) 7.400 11.214 ( -0.089 6.760 6.444) 9.339 11.588 ( -10.854 -11.630 6.920) 17.348 16.396 ( 0.302 0.026 0.728) 0.789 16.400 ( 0.419 0.365 0.042) 0.557 16.470 ( -0.304 -1.987 0.484) 2.067 16.513 ( -1.182 -3.654 -0.551) 3.880 18.300 ( 0.237 4.211 -0.833) 4.299 18.345 ( -0.419 5.925 0.639) 5.974 18.419 ( 1.970 -1.386 -1.171) 2.678 18.524 ( 0.430 -1.981 0.796) 2.177 21.571 ( 1.759 1.830 -1.065) 2.753 21.613 ( 2.091 0.935 -0.304) 2.310 21.716 ( 1.054 -3.002 -1.979) 3.747 21.734 ( 0.695 -4.025 4.543) 6.109 27.248 ( -0.660 0.340 -0.147) 0.757 27.276 ( 0.330 -0.840 -0.606) 1.087 27.337 ( -0.736 -0.085 1.564) 1.731 27.366 ( 0.848 -1.279 -0.654) 1.668 35.993 ( 2.469 -0.079 1.589) 2.937 36.034 ( 6.987 -3.190 -6.853) 10.293 36.416 ( 6.761 4.313 1.663) 8.190 36.758 ( 5.958 -13.117 1.404) 14.475 38.304 ( -9.672 21.122 3.206) 23.451 38.433 ( -18.606 25.395 -2.946) 31.619 38.967 ( -16.102 -11.327 0.616) 19.697 39.090 ( -21.194 -8.273 -1.927) 22.833 ======================= Grid point 30 (19/108) ======================= q-point: ( 0.31 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 21.998 6.748 -6.586) 23.934 2.736 ( 8.119 -0.420 -11.299) 13.920 2.865 ( 26.032 6.242 8.840) 28.191 3.079 ( 14.051 -6.883 10.288) 18.725 3.306 ( 5.645 2.253 -0.144) 6.080 3.478 ( 5.291 -1.699 -6.808) 8.788 3.499 ( 4.594 -6.426 -6.826) 10.440 3.580 ( 10.210 -9.299 0.386) 13.815 3.669 ( 4.727 -2.193 0.727) 5.261 3.782 ( 7.891 -6.342 0.176) 10.125 3.977 ( 5.595 4.471 5.396) 8.967 4.126 ( 3.875 5.307 -0.644) 6.603 4.224 ( 3.297 4.905 1.918) 6.213 4.312 ( 9.153 -4.977 -2.774) 10.782 4.433 ( 10.505 0.573 3.923) 11.228 4.469 ( 10.252 1.921 1.767) 10.579 4.550 ( 11.954 0.711 -1.702) 12.095 4.713 ( 3.218 -5.707 3.624) 7.488 4.907 ( 5.255 3.490 -3.243) 7.093 4.995 ( -1.977 -0.201 -3.160) 3.732 5.168 ( 1.629 2.858 3.784) 5.014 5.304 ( -3.336 -2.240 4.592) 6.102 5.386 ( 0.219 3.600 7.786) 8.581 5.608 ( 2.523 6.532 3.027) 7.629 5.724 ( -1.776 0.423 -1.611) 2.435 6.009 ( -1.996 7.583 0.417) 7.852 6.125 ( -2.984 -4.266 5.421) 7.516 6.272 ( 0.280 -1.100 -2.822) 3.042 6.397 ( -6.561 2.110 -2.877) 7.468 6.469 ( 2.176 -0.158 2.470) 3.296 6.613 ( -2.295 4.010 -10.715) 11.669 6.671 ( -1.067 4.985 -9.962) 11.191 6.861 ( 4.377 0.341 -1.477) 4.632 6.970 ( -1.460 -2.015 -3.262) 4.103 7.010 ( 1.933 -4.781 -2.149) 5.587 7.081 ( 4.720 -5.023 -1.102) 6.980 7.401 ( 2.476 10.341 2.911) 11.024 7.493 ( 7.114 3.423 -5.638) 9.701 7.622 ( 0.194 6.525 1.939) 6.810 7.673 ( 4.573 1.796 0.980) 5.010 7.785 ( -4.338 -0.167 2.128) 4.835 7.933 ( 2.675 4.271 -1.595) 5.285 8.133 ( 1.748 3.061 3.879) 5.241 8.297 ( -1.281 -3.232 5.254) 6.300 8.555 ( -5.379 3.063 3.276) 7.003 8.639 ( -4.110 1.099 0.024) 4.255 8.726 ( -2.657 0.631 -1.601) 3.165 8.867 ( -1.729 -5.451 1.665) 5.956 9.094 ( 1.036 -0.649 1.444) 1.892 9.167 ( -0.922 -4.112 -1.488) 4.470 9.175 ( -1.547 3.024 -0.091) 3.398 9.317 ( 0.640 -2.636 1.797) 3.254 9.542 ( -9.931 0.152 2.957) 10.363 9.718 ( -8.654 0.096 -5.196) 10.094 9.793 ( -13.700 -8.710 9.351) 18.734 9.906 ( -10.830 -5.259 -4.866) 12.985 10.765 ( -5.441 3.516 -9.150) 11.211 10.958 ( 0.225 -5.495 -4.246) 6.948 11.234 ( -0.180 1.750 3.772) 4.162 11.402 ( -10.388 -7.554 4.474) 13.601 16.399 ( -0.124 0.163 0.409) 0.457 16.410 ( 0.494 -0.258 0.037) 0.558 16.467 ( -0.235 -1.173 0.474) 1.287 16.491 ( -0.843 -2.427 -0.554) 2.628 18.299 ( -0.197 5.527 0.237) 5.535 18.338 ( -0.309 5.358 -0.332) 5.377 18.452 ( 1.642 -2.088 -0.663) 2.738 18.533 ( 0.201 -3.117 0.592) 3.179 21.593 ( 1.030 1.820 -1.362) 2.496 21.646 ( 1.317 0.334 -0.131) 1.364 21.716 ( -0.208 -1.894 -1.428) 2.381 21.744 ( -0.917 -2.644 3.345) 4.362 27.239 ( -0.231 0.803 0.053) 0.837 27.282 ( 0.472 -0.245 -0.924) 1.066 27.328 ( -0.711 -0.488 1.607) 1.824 27.378 ( 0.661 -1.880 -0.554) 2.069 36.062 ( 3.603 1.131 1.532) 4.075 36.131 ( 5.100 -2.956 -5.055) 7.765 36.548 ( 5.858 4.700 1.533) 7.665 36.865 ( 4.563 -11.190 0.672) 12.103 38.133 ( -7.974 17.193 -1.322) 18.999 38.153 ( -9.825 16.783 2.333) 19.587 38.652 ( -15.567 -8.884 0.449) 17.929 38.692 ( -18.168 -8.351 -1.188) 20.031 ======================= Grid point 31 (20/108) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 9.192 1.586 -7.638) 12.056 2.902 ( 14.352 -2.372 -6.376) 15.883 3.280 ( 5.329 -1.164 5.105) 7.471 3.312 ( 9.444 3.054 -0.692) 9.950 3.439 ( 8.655 -2.273 3.439) 9.587 3.505 ( 3.580 -2.138 -3.774) 5.624 3.556 ( 3.802 -7.445 -3.550) 9.082 3.693 ( 2.885 -5.775 -0.311) 6.463 3.852 ( 11.378 0.933 2.580) 11.704 3.997 ( 7.040 -2.638 -1.036) 7.589 4.047 ( 6.401 2.871 0.421) 7.028 4.158 ( 2.108 0.491 1.432) 2.595 4.335 ( 4.870 4.357 6.007) 8.876 4.518 ( 11.309 0.857 1.315) 11.417 4.603 ( 2.971 4.525 3.493) 6.443 4.646 ( 8.961 -3.351 -1.044) 9.624 4.750 ( 5.101 1.679 7.983) 9.622 4.821 ( 5.939 -5.520 -1.134) 8.187 4.934 ( -3.307 -0.333 -0.919) 3.448 4.968 ( 1.420 0.274 -1.809) 2.316 5.189 ( 2.582 6.349 5.417) 8.736 5.286 ( -0.289 1.279 2.264) 2.616 5.408 ( 0.318 6.810 4.311) 8.066 5.646 ( -2.163 7.217 -3.197) 8.184 5.727 ( 2.971 -0.686 2.983) 4.266 5.932 ( -4.722 5.224 -2.012) 7.324 6.023 ( -7.740 -8.605 -3.643) 12.133 6.177 ( -7.868 0.943 -8.999) 11.991 6.245 ( -4.297 4.998 2.143) 6.931 6.418 ( -4.795 5.351 -5.281) 8.917 6.550 ( -3.053 8.037 -4.173) 9.556 6.648 ( 1.363 1.326 -0.557) 1.982 6.897 ( 0.793 -1.392 -1.436) 2.151 6.934 ( -1.211 -0.864 -1.178) 1.898 7.053 ( 2.075 -6.573 -1.207) 6.997 7.146 ( -0.268 -5.413 -0.586) 5.451 7.328 ( -6.391 12.812 1.992) 14.456 7.480 ( -6.912 8.876 2.566) 11.539 7.612 ( 3.740 2.997 -3.401) 5.877 7.721 ( 1.338 -1.437 -3.944) 4.405 7.982 ( 13.507 0.598 2.887) 13.825 8.009 ( 7.086 4.622 -2.129) 8.724 8.251 ( 6.932 -1.128 6.491) 9.563 8.320 ( 1.572 -3.328 5.677) 6.766 8.499 ( -1.969 1.149 1.223) 2.587 8.573 ( -2.401 -1.017 -1.388) 2.954 8.655 ( -3.679 2.438 0.437) 4.435 8.834 ( -2.324 -6.465 0.417) 6.883 9.120 ( 0.975 -1.990 -0.020) 2.216 9.148 ( 0.901 3.174 0.592) 3.352 9.224 ( 4.699 -3.735 -2.779) 6.614 9.338 ( -1.972 -4.516 2.442) 5.499 9.369 ( -6.902 -0.353 3.916) 7.943 9.534 ( -8.460 -3.927 -3.001) 9.798 9.597 ( -7.665 -4.273 5.167) 10.184 9.734 ( -4.920 -5.036 -4.617) 8.419 10.623 ( -5.787 6.420 -5.231) 10.103 10.949 ( 0.153 -8.852 -2.401) 9.173 11.194 ( -7.711 -0.940 1.694) 7.950 11.257 ( -2.182 -2.691 2.574) 4.316 16.396 ( -0.245 0.392 0.181) 0.497 16.418 ( 0.275 -0.516 0.023) 0.585 16.464 ( -0.170 -0.687 0.243) 0.749 16.475 ( -0.521 -1.406 -0.296) 1.529 18.295 ( -0.347 6.442 0.575) 6.477 18.332 ( -0.058 4.922 -0.666) 4.967 18.477 ( 0.985 -2.638 -0.215) 2.824 18.538 ( 0.147 -4.167 0.273) 4.178 21.603 ( 0.432 1.671 -0.967) 1.979 21.664 ( 0.748 -0.263 -0.461) 0.917 21.702 ( -0.790 -1.078 -0.332) 1.377 21.732 ( -1.110 -1.655 1.889) 2.746 27.237 ( -0.080 1.219 0.233) 1.243 27.286 ( 0.187 1.380 -0.928) 1.673 27.324 ( -0.274 -1.748 1.233) 2.157 27.387 ( 0.401 -2.299 -0.424) 2.372 36.134 ( 2.988 1.216 1.042) 3.390 36.197 ( 3.055 -2.160 -3.085) 4.849 36.653 ( 4.061 5.000 1.168) 6.547 36.943 ( 3.172 -9.248 0.241) 9.780 38.008 ( -3.846 10.968 0.368) 11.629 38.037 ( -3.093 10.103 0.447) 10.575 38.366 ( -13.637 -5.548 0.855) 14.747 38.381 ( -12.475 -5.754 -1.331) 13.802 ======================= Grid point 32 (21/108) ======================= q-point: ( 0.46 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 3.757 0.814 -2.956) 4.849 3.109 ( 7.566 -5.069 -2.471) 9.436 3.237 ( -4.187 -0.941 -1.308) 4.486 3.444 ( 0.522 -1.165 2.308) 2.637 3.518 ( 3.786 -3.411 -0.281) 5.103 3.590 ( 2.298 -7.244 -0.130) 7.601 3.653 ( 4.546 -0.383 -3.367) 5.670 3.710 ( -1.230 -2.706 0.706) 3.055 3.969 ( -1.287 4.603 -1.701) 5.073 4.145 ( 14.198 6.537 5.336) 16.517 4.193 ( 1.199 -3.195 0.039) 3.413 4.298 ( 7.918 1.765 -1.101) 8.186 4.427 ( 2.346 3.020 3.678) 5.306 4.566 ( -5.975 4.946 1.860) 7.976 4.714 ( 5.690 3.496 3.424) 7.504 4.769 ( 2.166 1.630 -4.887) 5.588 4.809 ( 1.347 0.985 6.992) 7.189 4.849 ( -2.020 -1.873 -2.335) 3.611 4.922 ( -0.029 -5.470 3.201) 6.337 4.950 ( 0.072 -4.481 -3.230) 5.525 5.314 ( 4.155 9.094 4.114) 10.812 5.373 ( 7.655 4.277 4.501) 9.857 5.429 ( 2.048 5.153 4.110) 6.902 5.572 ( -3.459 5.991 -3.077) 7.571 5.655 ( -8.312 3.035 -7.533) 11.621 5.840 ( -6.810 -3.659 -6.864) 10.338 5.915 ( 2.541 -1.162 1.074) 2.994 6.028 ( -4.346 -3.295 -4.275) 6.929 6.178 ( -2.218 11.434 3.756) 12.238 6.351 ( -0.965 6.573 -1.363) 6.782 6.487 ( -1.508 5.891 -2.271) 6.491 6.676 ( 0.978 -2.390 0.758) 2.691 6.894 ( -0.579 -1.350 0.080) 1.471 6.925 ( 0.138 -0.929 0.395) 1.019 7.027 ( -6.311 6.873 -0.275) 9.335 7.071 ( 0.231 -5.459 -0.139) 5.466 7.315 ( 1.492 -1.972 -0.185) 2.480 7.372 ( -3.379 5.351 1.155) 6.433 7.661 ( 1.712 5.065 -1.001) 5.439 7.733 ( 0.602 3.139 -2.304) 3.940 8.067 ( 2.132 10.617 -0.008) 10.829 8.267 ( 8.475 -7.419 0.098) 11.264 8.358 ( 3.109 -5.130 1.393) 6.158 8.408 ( 3.185 -0.886 4.064) 5.239 8.462 ( -1.985 -0.208 -0.765) 2.137 8.540 ( -0.079 -2.514 -0.671) 2.603 8.617 ( -0.062 -0.211 2.236) 2.247 8.767 ( -4.191 -7.780 -1.380) 8.944 9.147 ( 0.002 -1.400 2.335) 2.722 9.160 ( -0.333 -1.599 -0.522) 1.715 9.207 ( -3.273 0.710 1.480) 3.662 9.294 ( 2.447 -7.250 -2.914) 8.188 9.371 ( -3.719 -8.934 0.260) 9.680 9.396 ( -0.150 -2.405 1.830) 3.026 9.543 ( -0.442 1.669 1.373) 2.206 9.655 ( -1.829 -0.896 -3.252) 3.837 10.521 ( -2.688 9.110 -1.517) 9.619 10.946 ( 0.054 -10.882 -0.748) 10.908 11.062 ( -4.227 3.648 0.581) 5.613 11.248 ( -0.261 -4.258 0.712) 4.325 16.392 ( -0.113 0.583 0.043) 0.595 16.421 ( 0.073 -0.651 0.011) 0.655 16.462 ( -0.067 -0.455 0.062) 0.464 16.468 ( -0.171 -0.876 -0.077) 0.895 18.291 ( -0.160 6.768 0.255) 6.775 18.330 ( 0.018 4.829 -0.297) 4.838 18.489 ( 0.305 -2.936 -0.016) 2.952 18.541 ( 0.074 -4.771 0.055) 4.772 21.605 ( 0.103 1.577 -0.341) 1.617 21.675 ( 0.555 -1.004 -0.722) 1.355 21.687 ( -0.711 -0.262 0.482) 0.898 21.720 ( -0.464 -1.188 0.608) 1.413 27.237 ( -0.037 1.481 0.140) 1.488 27.285 ( 0.023 2.427 -0.371) 2.455 27.325 ( -0.025 -2.565 0.432) 2.601 27.391 ( 0.134 -2.506 -0.165) 2.515 36.179 ( 1.139 0.999 0.372) 1.560 36.229 ( 1.014 -1.604 -1.042) 2.165 36.711 ( 1.486 5.280 0.444) 5.503 36.988 ( 1.171 -7.897 0.054) 7.983 37.979 ( 0.227 4.766 0.503) 4.798 38.035 ( 2.790 4.312 -0.252) 5.142 38.146 ( -8.607 -1.446 0.488) 8.741 38.191 ( -5.837 -1.554 -0.628) 6.073 ======================= Grid point 39 (22/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 -31.057 0.000) 31.057 1.851 ( 0.000 31.057 0.000) 31.057 2.223 ( 0.000 -30.187 0.000) 30.187 2.223 ( 0.000 30.187 0.000) 30.187 2.503 ( 0.000 -27.830 0.000) 27.830 2.503 ( 0.000 27.830 0.000) 27.830 3.228 ( 0.000 -2.223 0.000) 2.223 3.228 ( 0.000 2.223 0.000) 2.223 3.422 ( 0.000 -9.718 0.000) 9.718 3.422 ( 0.000 9.718 0.000) 9.718 3.541 ( 0.000 -3.118 0.000) 3.118 3.541 ( 0.000 3.118 0.000) 3.118 3.857 ( 0.000 -18.060 0.000) 18.060 3.857 ( 0.000 18.060 0.000) 18.060 3.982 ( 0.000 -36.596 0.000) 36.596 3.982 ( 0.000 36.596 0.000) 36.596 4.790 ( 0.000 -4.483 0.000) 4.483 4.790 ( 0.000 4.483 0.000) 4.483 4.875 ( 0.000 -11.850 0.000) 11.850 4.875 ( 0.000 11.850 0.000) 11.850 5.066 ( 0.000 -14.053 0.000) 14.053 5.066 ( 0.000 14.053 0.000) 14.053 5.168 ( 0.000 -1.231 0.000) 1.231 5.168 ( 0.000 1.231 0.000) 1.231 5.314 ( 0.000 -6.773 0.000) 6.773 5.314 ( 0.000 6.773 0.000) 6.773 5.659 ( 0.000 -1.030 0.000) 1.030 5.659 ( 0.000 1.030 0.000) 1.030 6.228 ( 0.000 -1.080 0.000) 1.080 6.228 ( 0.000 1.080 0.000) 1.080 6.583 ( 0.000 -10.760 0.000) 10.760 6.583 ( 0.000 10.760 0.000) 10.760 6.981 ( 0.000 -6.028 0.000) 6.028 6.981 ( 0.000 6.028 0.000) 6.028 7.053 ( 0.000 -2.899 0.000) 2.899 7.053 ( 0.000 2.899 0.000) 2.899 7.159 ( 0.000 -3.684 0.000) 3.684 7.159 ( 0.000 3.684 0.000) 3.684 7.568 ( 0.000 -10.652 0.000) 10.652 7.568 ( 0.000 10.652 0.000) 10.652 7.856 ( 0.000 -2.775 0.000) 2.775 7.856 ( 0.000 2.775 0.000) 2.775 8.179 ( 0.000 -3.404 0.000) 3.404 8.179 ( 0.000 3.404 0.000) 3.404 8.725 ( 0.000 -6.188 0.000) 6.188 8.725 ( 0.000 6.188 0.000) 6.188 8.975 ( 0.000 -3.583 0.000) 3.583 8.975 ( 0.000 3.583 0.000) 3.583 9.543 ( 0.000 -4.381 0.000) 4.381 9.543 ( 0.000 4.381 0.000) 4.381 9.828 ( 0.000 -2.270 0.000) 2.270 9.828 ( 0.000 2.270 0.000) 2.270 10.197 ( 0.000 -2.616 0.000) 2.616 10.197 ( 0.000 2.616 0.000) 2.616 10.410 ( 0.000 -8.941 0.000) 8.941 10.410 ( 0.000 8.941 0.000) 8.941 10.929 ( 0.000 -2.271 0.000) 2.271 10.929 ( 0.000 2.271 0.000) 2.271 11.805 ( 0.000 -22.836 0.000) 22.836 11.805 ( 0.000 22.836 0.000) 22.836 16.393 ( 0.000 -2.690 0.000) 2.690 16.393 ( 0.000 2.690 0.000) 2.690 16.515 ( 0.000 -3.891 0.000) 3.891 16.515 ( 0.000 3.891 0.000) 3.891 18.320 ( 0.000 -0.648 0.000) 0.648 18.320 ( 0.000 0.648 0.000) 0.648 18.435 ( 0.000 -3.563 0.000) 3.563 18.435 ( 0.000 3.563 0.000) 3.563 21.437 ( 0.000 -0.805 0.000) 0.805 21.437 ( 0.000 0.805 0.000) 0.805 21.580 ( 0.000 -2.821 0.000) 2.821 21.580 ( 0.000 2.821 0.000) 2.821 27.298 ( 0.000 -0.581 0.000) 0.581 27.298 ( 0.000 0.581 0.000) 0.581 27.342 ( 0.000 -0.605 0.000) 0.605 27.342 ( 0.000 0.605 0.000) 0.605 35.854 ( 0.000 -9.216 0.000) 9.216 35.854 ( 0.000 9.216 0.000) 9.216 36.195 ( 0.000 -3.065 0.000) 3.065 36.195 ( 0.000 3.065 0.000) 3.065 39.174 ( 0.000 -23.530 0.000) 23.530 39.174 ( 0.000 23.530 0.000) 23.530 40.068 ( 0.000 -1.628 0.000) 1.628 40.068 ( 0.000 1.628 0.000) 1.628 ======================= Grid point 41 (23/108) ======================= q-point: ( 0.08 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 4.196 -26.335 1.923) 26.736 1.882 ( 4.196 26.335 1.923) 26.736 2.263 ( 3.451 -26.610 -1.994) 26.906 2.263 ( 3.451 26.610 -1.994) 26.906 2.599 ( 9.373 -20.841 2.315) 22.969 2.599 ( 9.373 20.841 2.315) 22.969 3.265 ( 3.704 -2.765 0.379) 4.638 3.265 ( 3.704 2.765 0.379) 4.638 3.437 ( 2.531 -10.681 -4.208) 11.756 3.437 ( 2.531 10.681 -4.208) 11.756 3.636 ( 7.537 -4.012 4.047) 9.449 3.636 ( 7.537 4.012 4.047) 9.449 3.884 ( 3.229 -12.285 -2.743) 12.995 3.884 ( 3.229 12.285 -2.743) 12.995 4.046 ( 4.665 -36.054 5.526) 36.772 4.046 ( 4.665 36.054 5.526) 36.772 4.677 ( -8.684 -3.910 -5.487) 10.992 4.677 ( -8.684 3.910 -5.487) 10.992 4.836 ( 1.591 -5.344 -4.999) 7.488 4.836 ( 1.591 5.344 -4.999) 7.488 5.065 ( -0.296 -10.277 2.006) 10.476 5.065 ( -0.296 10.277 2.006) 10.476 5.240 ( 5.560 -6.318 -0.975) 8.472 5.240 ( 5.560 6.318 -0.975) 8.472 5.505 ( 14.216 -15.986 1.188) 21.426 5.505 ( 14.216 15.986 1.188) 21.426 5.802 ( 11.854 -6.211 5.295) 14.392 5.802 ( 11.854 6.211 5.295) 14.392 6.251 ( 2.838 -2.824 1.042) 4.137 6.251 ( 2.838 2.824 1.042) 4.137 6.550 ( -2.944 -10.003 0.217) 10.430 6.550 ( -2.944 10.003 0.217) 10.430 6.988 ( 0.012 -6.488 -0.381) 6.499 6.988 ( 0.012 6.488 -0.381) 6.499 7.027 ( -1.813 -0.400 -2.015) 2.740 7.027 ( -1.813 0.400 -2.015) 2.740 7.178 ( 2.227 -5.149 -1.841) 5.904 7.178 ( 2.227 5.149 -1.841) 5.904 7.560 ( 0.125 -12.290 -1.636) 12.399 7.560 ( 0.125 12.290 -1.636) 12.399 7.874 ( 1.250 -2.884 1.038) 3.311 7.874 ( 1.250 2.884 1.038) 3.311 8.206 ( 1.778 -4.639 2.639) 5.625 8.206 ( 1.778 4.639 2.639) 5.625 8.727 ( 0.564 -6.507 -1.018) 6.610 8.727 ( 0.564 6.507 -1.018) 6.610 8.953 ( -2.227 -3.821 0.308) 4.433 8.953 ( -2.227 3.821 0.308) 4.433 9.456 ( -8.031 -5.038 -0.309) 9.485 9.456 ( -8.031 5.038 -0.309) 9.485 9.689 ( -11.367 -3.555 1.550) 12.010 9.689 ( -11.367 3.555 1.550) 12.010 10.256 ( 2.667 -6.344 -4.129) 8.025 10.256 ( 2.667 6.344 -4.129) 8.025 10.330 ( -7.821 -9.082 5.391) 13.142 10.330 ( -7.821 9.082 5.391) 13.142 10.955 ( 3.431 -2.848 -7.590) 8.803 10.955 ( 3.431 2.848 -7.590) 8.803 11.707 ( -9.938 -20.575 5.420) 23.484 11.707 ( -9.938 20.575 5.420) 23.484 16.396 ( 0.183 -2.367 0.348) 2.400 16.396 ( 0.183 2.367 0.348) 2.400 16.496 ( -1.632 -3.888 0.182) 4.220 16.496 ( -1.632 3.888 0.182) 4.220 18.329 ( 1.195 -1.788 -2.116) 3.017 18.329 ( 1.195 1.788 -2.116) 3.017 18.444 ( 0.524 -3.768 1.283) 4.015 18.444 ( 0.524 3.768 1.283) 4.015 21.484 ( 3.610 -0.896 2.481) 4.471 21.484 ( 3.610 0.896 2.481) 4.471 21.595 ( 1.785 -3.019 -1.745) 3.917 21.595 ( 1.785 3.019 -1.745) 3.917 27.287 ( -0.997 -0.287 0.312) 1.083 27.287 ( -0.997 0.287 0.312) 1.083 27.342 ( 0.165 -0.382 -0.437) 0.603 27.342 ( 0.165 0.382 -0.437) 0.603 35.867 ( 1.774 -6.438 -1.546) 6.855 35.867 ( 1.774 6.438 -1.546) 6.855 36.257 ( 5.553 -6.464 1.047) 8.585 36.257 ( 5.553 6.464 1.047) 8.585 39.107 ( -7.239 -22.611 3.121) 23.946 39.107 ( -7.239 22.611 3.121) 23.946 39.840 ( -20.073 -4.837 -5.189) 21.290 39.840 ( -20.073 4.837 -5.189) 21.290 ======================= Grid point 43 (24/108) ======================= q-point: ( 0.15 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 14.233 -18.700 5.617) 24.162 2.077 ( 14.233 18.700 5.617) 24.162 2.338 ( 5.698 -21.250 -1.805) 22.074 2.338 ( 5.698 21.250 -1.805) 22.074 2.858 ( 14.967 -11.285 0.309) 18.747 2.858 ( 14.967 11.285 0.309) 18.747 3.364 ( 5.760 -1.465 -1.259) 6.075 3.364 ( 5.760 1.465 -1.259) 6.075 3.485 ( 3.967 -8.200 -5.348) 10.563 3.485 ( 3.967 8.200 -5.348) 10.563 3.813 ( 6.470 -4.873 10.231) 13.049 3.813 ( 6.470 4.873 10.231) 13.049 3.981 ( 9.408 -6.083 -7.850) 13.680 3.981 ( 9.408 6.083 -7.850) 13.680 4.159 ( 4.469 -24.974 2.053) 25.453 4.159 ( 4.469 24.974 2.053) 25.453 4.536 ( -3.246 -7.124 -2.630) 8.258 4.536 ( -3.246 7.124 -2.630) 8.258 4.872 ( 3.606 -8.670 -4.839) 10.563 4.872 ( 3.606 8.670 -4.839) 10.563 5.120 ( 3.749 -5.316 5.813) 8.724 5.120 ( 3.749 5.316 5.813) 8.724 5.306 ( 2.724 -4.208 -0.373) 5.027 5.306 ( 2.724 4.208 -0.373) 5.027 5.833 ( 16.698 -10.994 0.982) 20.016 5.833 ( 16.698 10.994 0.982) 20.016 5.994 ( 3.567 -3.151 4.820) 6.774 5.994 ( 3.567 3.151 4.820) 6.774 6.379 ( 6.773 -10.251 -1.779) 12.415 6.379 ( 6.773 10.251 -1.779) 12.415 6.521 ( 3.377 -4.083 1.657) 5.552 6.521 ( 3.377 4.083 1.657) 5.552 6.936 ( -3.894 -0.324 -1.842) 4.320 6.936 ( -3.894 0.324 -1.842) 4.320 7.008 ( 0.516 -5.313 -3.924) 6.625 7.008 ( 0.516 5.313 -3.924) 6.625 7.226 ( 3.571 -4.127 -2.791) 6.130 7.226 ( 3.571 4.127 -2.791) 6.130 7.588 ( 3.395 -12.680 -0.820) 13.152 7.588 ( 3.395 12.680 -0.820) 13.152 7.902 ( 0.975 -3.333 1.169) 3.665 7.902 ( 0.975 3.333 1.169) 3.665 8.239 ( -0.167 -6.431 3.584) 7.364 8.239 ( -0.167 6.431 3.584) 7.364 8.742 ( 1.075 -6.446 -0.392) 6.547 8.742 ( 1.075 6.446 -0.392) 6.547 8.888 ( -4.733 -3.806 0.584) 6.102 8.888 ( -4.733 3.806 0.584) 6.102 9.272 ( -9.354 -5.685 0.466) 10.956 9.272 ( -9.354 5.685 0.466) 10.956 9.462 ( -11.040 -4.822 0.801) 12.074 9.462 ( -11.040 4.822 0.801) 12.074 10.113 ( -13.506 -9.126 8.997) 18.618 10.113 ( -13.506 9.126 8.997) 18.618 10.249 ( -4.152 -6.926 -9.485) 12.457 10.249 ( -4.152 6.926 -9.485) 12.457 10.976 ( 1.325 -2.492 -9.581) 9.988 10.976 ( 1.325 2.492 -9.581) 9.988 11.515 ( -10.747 -15.786 8.816) 21.034 11.515 ( -10.747 15.786 8.816) 21.034 16.401 ( 0.037 -1.385 0.731) 1.567 16.401 ( 0.037 1.385 0.731) 1.567 16.468 ( -0.891 -2.878 -0.196) 3.019 16.468 ( -0.891 2.878 -0.196) 3.019 18.348 ( 1.424 -2.394 -2.042) 3.454 18.348 ( 1.424 2.394 -2.042) 3.454 18.458 ( 0.241 -4.213 1.310) 4.418 18.458 ( 0.241 4.213 1.310) 4.418 21.564 ( 3.002 -2.272 1.781) 4.165 21.564 ( 3.002 2.272 1.781) 4.165 21.636 ( 2.844 -2.318 -1.075) 3.823 21.636 ( 2.844 2.318 -1.075) 3.823 27.268 ( -0.800 -0.249 -0.101) 0.844 27.268 ( -0.800 0.249 -0.101) 0.844 27.344 ( 0.089 -0.232 0.021) 0.250 27.344 ( 0.089 0.232 0.021) 0.250 35.917 ( 3.835 -2.066 -1.719) 4.684 35.917 ( 3.835 2.066 -1.719) 4.684 36.395 ( 7.450 -8.750 1.040) 11.539 36.395 ( 7.450 8.750 1.040) 11.539 38.923 ( -12.377 -19.996 4.500) 23.943 38.923 ( -12.377 19.996 4.500) 23.943 39.347 ( -25.311 -13.554 -6.177) 29.369 39.347 ( -25.311 13.554 -6.177) 29.369 ======================= Grid point 45 (25/108) ======================= q-point: ( 0.23 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 14.103 -16.302 0.222) 21.557 2.413 ( 14.103 16.302 0.222) 21.557 2.539 ( 17.612 -11.939 5.002) 21.857 2.539 ( 17.612 11.939 5.002) 21.857 3.146 ( 13.877 -4.571 -1.700) 14.709 3.146 ( 13.877 4.571 -1.700) 14.709 3.444 ( 2.759 -2.205 -5.404) 6.456 3.444 ( 2.759 2.205 -5.404) 6.456 3.559 ( 5.783 -3.398 -4.287) 7.960 3.559 ( 5.783 3.398 -4.287) 7.960 3.963 ( 5.644 -7.412 10.138) 13.768 3.963 ( 5.644 7.412 10.138) 13.768 4.169 ( 8.684 -4.519 -2.997) 10.238 4.169 ( 8.684 4.519 -2.997) 10.238 4.263 ( 9.022 -6.636 -5.044) 12.283 4.263 ( 9.022 6.636 -5.044) 12.283 4.518 ( 0.983 -10.073 2.361) 10.393 4.518 ( 0.983 10.073 2.361) 10.393 4.932 ( 4.110 -7.529 -5.519) 10.200 4.932 ( 4.110 7.529 -5.519) 10.200 5.202 ( 1.009 -7.997 9.177) 12.215 5.202 ( 1.009 7.997 9.177) 12.215 5.396 ( 5.970 -7.457 2.439) 9.859 5.396 ( 5.970 7.457 2.439) 9.859 5.968 ( -1.542 -8.616 0.566) 8.771 5.968 ( -1.542 8.616 0.566) 8.771 6.142 ( 7.064 -5.431 4.007) 9.770 6.142 ( 7.064 5.431 4.007) 9.770 6.421 ( 2.163 -2.209 -0.327) 3.109 6.421 ( 2.163 2.209 -0.327) 3.109 6.663 ( 5.126 -3.136 -4.970) 7.798 6.663 ( 5.126 3.136 -4.970) 7.798 6.879 ( 0.502 -5.858 -3.111) 6.651 6.879 ( 0.502 5.858 -3.111) 6.651 7.002 ( 0.526 -2.041 -5.167) 5.580 7.002 ( 0.526 2.041 -5.167) 5.580 7.324 ( 8.223 -3.064 -2.993) 9.272 7.324 ( 8.223 3.064 -2.993) 9.272 7.666 ( 3.660 -8.582 -0.362) 9.337 7.666 ( 3.660 8.582 -0.362) 9.337 7.915 ( -0.729 -3.697 3.965) 5.470 7.915 ( -0.729 3.697 3.965) 5.470 8.225 ( -1.944 -6.747 2.863) 7.583 8.225 ( -1.944 6.747 2.863) 7.583 8.743 ( -4.108 -1.322 2.646) 5.062 8.743 ( -4.108 1.322 2.646) 5.062 8.780 ( -3.345 -6.445 -0.695) 7.294 8.780 ( -3.345 6.445 -0.695) 7.294 9.134 ( -4.286 -4.423 0.863) 6.219 9.134 ( -4.286 4.423 0.863) 6.219 9.294 ( -5.768 -3.481 0.418) 6.750 9.294 ( -5.768 3.481 0.418) 6.750 9.864 ( -14.356 -8.702 7.211) 18.271 9.864 ( -14.356 8.702 7.211) 18.271 10.053 ( -11.289 -6.877 -8.232) 15.573 10.053 ( -11.289 6.877 -8.232) 15.573 10.932 ( -1.913 -2.421 -8.865) 9.387 10.932 ( -1.913 2.421 -8.865) 9.387 11.377 ( -6.699 -9.966 7.907) 14.377 11.377 ( -6.699 9.966 7.907) 14.377 16.403 ( -0.026 -0.473 0.702) 0.846 16.403 ( -0.026 0.473 0.702) 0.846 16.459 ( -0.049 -1.434 -0.374) 1.483 16.459 ( -0.049 1.434 -0.374) 1.483 18.368 ( 1.243 -2.913 -1.222) 3.394 18.368 ( 1.243 2.913 -1.222) 3.394 18.461 ( -0.325 -4.592 0.881) 4.687 18.461 ( -0.325 4.592 0.881) 4.687 21.610 ( 1.699 -1.798 -0.533) 2.531 21.610 ( 1.699 1.798 -0.533) 2.531 21.684 ( 1.691 -0.972 0.910) 2.152 21.684 ( 1.691 0.972 0.910) 2.152 27.259 ( -0.109 -0.826 -0.249) 0.869 27.259 ( -0.109 0.826 -0.249) 0.869 27.345 ( -0.065 -0.792 0.266) 0.838 27.345 ( -0.065 0.792 0.266) 0.838 35.999 ( 4.826 -0.837 -1.347) 5.080 35.999 ( 4.826 0.837 -1.347) 5.080 36.543 ( 7.070 -8.958 0.729) 11.435 36.543 ( 7.070 8.958 0.729) 11.435 38.671 ( -14.439 -15.178 4.133) 21.353 38.671 ( -14.439 15.178 4.133) 21.353 38.861 ( -21.069 -14.576 -4.682) 26.044 38.861 ( -21.069 14.576 -4.682) 26.044 ======================= Grid point 47 (26/108) ======================= q-point: ( 0.31 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 12.846 -7.392 -6.516) 16.191 2.651 ( 12.846 7.392 -6.516) 16.191 2.982 ( 20.547 -5.627 9.304) 23.247 2.982 ( 20.547 5.627 9.304) 23.247 3.383 ( 9.384 -7.516 0.650) 12.041 3.383 ( 9.384 7.516 0.650) 12.041 3.442 ( 2.195 -1.231 -11.158) 11.438 3.442 ( 2.195 1.231 -11.158) 11.438 3.687 ( 7.832 -3.654 1.423) 8.759 3.687 ( 7.832 3.654 1.423) 8.759 4.095 ( 3.963 -6.723 1.824) 8.014 4.095 ( 3.963 6.723 1.824) 8.014 4.283 ( 5.196 -3.484 3.925) 7.385 4.283 ( 5.196 3.484 3.925) 7.385 4.467 ( 10.582 -2.099 -1.984) 10.969 4.467 ( 10.582 2.099 -1.984) 10.969 4.606 ( 7.376 -4.283 2.262) 8.824 4.606 ( 7.376 4.283 2.262) 8.824 4.973 ( 1.471 -2.348 -4.489) 5.275 4.973 ( 1.471 2.348 -4.489) 5.275 5.245 ( 0.528 -4.236 7.508) 8.636 5.245 ( 0.528 4.236 7.508) 8.636 5.512 ( 3.679 -8.840 5.135) 10.865 5.512 ( 3.679 8.840 5.135) 10.865 5.917 ( -3.333 -12.811 -0.516) 13.248 5.917 ( -3.333 12.811 -0.516) 13.248 6.186 ( -1.671 -7.073 -0.677) 7.299 6.186 ( -1.671 7.073 -0.677) 7.299 6.428 ( -2.757 -2.735 0.370) 3.901 6.428 ( -2.757 2.735 0.370) 3.901 6.705 ( 2.759 -3.350 -8.090) 9.180 6.705 ( 2.759 3.350 -8.090) 9.180 6.901 ( 1.231 -3.632 -2.610) 4.639 6.901 ( 1.231 3.632 -2.610) 4.639 6.996 ( 0.961 -2.750 -4.280) 5.178 6.996 ( 0.961 2.750 -4.280) 5.178 7.508 ( 9.946 -1.963 -3.976) 10.889 7.508 ( 9.946 1.963 -3.976) 10.889 7.688 ( -2.114 -1.575 -0.575) 2.698 7.688 ( -2.114 1.575 -0.575) 2.698 7.917 ( 0.302 -8.092 7.325) 10.919 7.917 ( 0.302 8.092 7.325) 10.919 8.210 ( -0.276 -5.186 3.910) 6.501 8.210 ( -0.276 5.186 3.910) 6.501 8.623 ( -5.303 -3.039 -0.448) 6.129 8.623 ( -5.303 3.039 -0.448) 6.129 8.762 ( -1.283 -3.949 1.900) 4.566 8.762 ( -1.283 3.949 1.900) 4.566 9.098 ( -0.066 -2.017 0.234) 2.031 9.098 ( -0.066 2.017 0.234) 2.031 9.240 ( -0.410 -4.059 0.310) 4.092 9.240 ( -0.410 4.059 0.310) 4.092 9.616 ( -12.985 -7.226 5.884) 15.983 9.616 ( -12.985 7.226 5.884) 15.983 9.799 ( -10.407 -5.501 -6.153) 13.282 9.799 ( -10.407 5.501 -6.153) 13.282 10.852 ( -2.968 -5.257 -6.615) 8.956 10.852 ( -2.968 5.257 -6.615) 8.956 11.287 ( -5.205 -4.188 5.051) 8.375 11.287 ( -5.205 4.188 5.051) 8.375 16.405 ( 0.034 -0.368 0.376) 0.528 16.405 ( 0.034 0.369 0.376) 0.528 16.459 ( 0.045 -0.633 -0.219) 0.671 16.459 ( 0.045 0.633 -0.219) 0.671 18.387 ( 0.976 -3.445 -0.565) 3.625 18.387 ( 0.976 3.445 -0.565) 3.625 18.454 ( -0.611 -4.811 0.458) 4.872 18.454 ( -0.611 4.811 0.458) 4.872 21.632 ( 0.888 -1.881 -1.190) 2.397 21.632 ( 0.888 1.881 -1.190) 2.397 21.705 ( 0.111 -1.107 1.341) 1.742 21.705 ( 0.111 1.107 1.341) 1.742 27.261 ( 0.337 -1.410 -0.120) 1.455 27.261 ( 0.337 1.410 -0.120) 1.455 27.344 ( -0.167 -1.587 0.173) 1.605 27.344 ( -0.167 1.587 0.173) 1.605 36.088 ( 4.467 -1.676 -0.953) 4.865 36.088 ( 4.467 1.676 -0.953) 4.865 36.674 ( 5.909 -8.359 0.487) 10.248 36.674 ( 5.909 8.359 0.487) 10.248 38.402 ( -13.577 -5.269 2.803) 14.831 38.402 ( -13.577 5.269 2.803) 14.831 38.498 ( -14.354 -6.091 -2.759) 15.835 38.498 ( -14.354 6.091 -2.759) 15.835 ======================= Grid point 49 (27/108) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 10.556 -2.054 -6.909) 12.783 2.862 ( 10.556 2.054 -6.909) 12.783 3.311 ( 7.264 -3.808 1.235) 8.295 3.311 ( 7.264 3.808 1.235) 8.295 3.408 ( 2.595 -3.018 -0.205) 3.986 3.408 ( 2.595 3.018 -0.205) 3.986 3.589 ( 7.652 -5.069 -2.700) 9.567 3.589 ( 7.652 5.069 -2.700) 9.567 3.907 ( 13.748 -4.663 4.812) 15.294 3.907 ( 13.748 4.663 4.812) 15.294 4.120 ( 0.089 -3.804 -1.854) 4.233 4.120 ( 0.089 3.804 -1.854) 4.233 4.436 ( 7.346 -6.013 7.090) 11.848 4.436 ( 7.346 6.013 7.090) 11.848 4.653 ( 8.365 -2.307 0.241) 8.681 4.653 ( 8.365 2.307 0.241) 8.681 4.764 ( 5.610 -1.959 1.719) 6.186 4.764 ( 5.610 1.959 1.719) 6.186 4.952 ( -2.141 -1.522 -1.901) 3.243 4.952 ( -2.141 1.522 -1.901) 3.243 5.289 ( 2.507 -2.185 4.745) 5.795 5.289 ( 2.507 2.185 4.745) 5.795 5.577 ( 1.201 -9.625 2.701) 10.069 5.577 ( 1.201 9.625 2.701) 10.069 5.838 ( -3.560 -9.392 -1.916) 10.226 5.838 ( -3.560 9.392 -1.916) 10.226 6.086 ( -7.125 -8.089 -6.148) 12.409 6.086 ( -7.125 8.089 -6.148) 12.409 6.379 ( -1.250 -7.207 0.225) 7.318 6.379 ( -1.250 7.207 0.225) 7.318 6.673 ( -3.097 -2.168 -4.521) 5.894 6.673 ( -3.097 2.168 -4.521) 5.894 6.907 ( 0.105 -2.165 -1.555) 2.668 6.907 ( 0.105 2.165 -1.555) 2.668 7.007 ( 1.186 -4.763 -2.203) 5.380 7.007 ( 1.186 4.763 -2.203) 5.380 7.522 ( -8.214 -5.229 1.265) 9.819 7.522 ( -8.214 5.229 1.265) 9.819 7.700 ( 5.856 -3.150 -3.379) 7.459 7.700 ( 5.856 3.150 -3.379) 7.459 8.022 ( 6.984 -5.682 4.645) 10.131 8.022 ( 6.984 5.682 4.645) 10.131 8.257 ( 3.244 -3.087 4.790) 6.557 8.257 ( 3.244 3.087 4.790) 6.557 8.540 ( -3.039 -2.490 -1.624) 4.251 8.540 ( -3.039 2.490 -1.624) 4.251 8.719 ( -3.638 -4.672 1.227) 6.047 8.719 ( -3.638 4.672 1.227) 6.047 9.125 ( 2.188 -2.796 -0.683) 3.615 9.125 ( 2.188 2.796 -0.683) 3.615 9.236 ( -1.246 -4.552 0.251) 4.726 9.236 ( -1.246 4.552 0.251) 4.726 9.414 ( -8.778 -5.058 4.931) 11.268 9.414 ( -8.778 5.058 4.931) 11.268 9.639 ( -3.420 -4.704 -4.274) 7.218 9.639 ( -3.420 4.704 -4.274) 7.218 10.774 ( -2.701 -8.911 -3.949) 10.115 10.774 ( -2.701 8.911 -3.949) 10.115 11.207 ( -4.227 -2.088 2.678) 5.422 11.207 ( -4.227 2.088 2.678) 5.422 16.407 ( -0.002 -0.652 0.135) 0.666 16.407 ( -0.002 0.652 0.135) 0.666 16.459 ( -0.011 -0.249 -0.075) 0.261 16.459 ( -0.011 0.249 -0.075) 0.261 18.402 ( 0.707 -3.799 -0.185) 3.869 18.402 ( 0.707 3.799 -0.185) 3.869 18.442 ( -0.590 -4.894 0.163) 4.932 18.442 ( -0.590 4.894 0.163) 4.932 21.639 ( 0.340 -1.962 -1.034) 2.244 21.639 ( 0.340 1.962 -1.034) 2.244 21.705 ( -0.507 -1.081 1.083) 1.612 21.705 ( -0.507 1.081 1.083) 1.612 27.268 ( 0.373 -1.956 0.045) 1.991 27.268 ( 0.373 1.956 0.045) 1.991 27.341 ( -0.154 -2.350 -0.005) 2.355 27.341 ( -0.154 2.350 -0.005) 2.355 36.161 ( 3.073 -1.576 -0.592) 3.505 36.161 ( 3.073 1.576 -0.592) 3.505 36.777 ( 4.202 -7.762 0.315) 8.832 36.777 ( 4.202 7.762 0.315) 8.832 38.180 ( -9.300 -1.882 1.510) 9.608 38.180 ( -9.300 1.882 1.510) 9.608 38.266 ( -8.581 -1.454 -1.358) 8.809 38.266 ( -8.581 1.454 -1.358) 8.809 ======================= Grid point 51 (28/108) ======================= q-point: ( 0.46 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 4.520 -5.710 -3.247) 7.974 2.997 ( 4.520 5.710 -3.247) 7.974 3.312 ( -1.372 -7.945 -0.992) 8.124 3.312 ( -1.372 7.945 -0.992) 8.124 3.519 ( 3.515 -1.955 1.726) 4.377 3.519 ( 3.515 1.955 1.726) 4.377 3.668 ( 1.793 -1.610 -1.455) 2.815 3.668 ( 1.793 1.610 -1.456) 2.815 4.072 ( 0.432 -6.088 -1.038) 6.191 4.072 ( 0.431 6.088 -1.038) 6.191 4.257 ( 12.456 -4.623 3.929) 13.855 4.257 ( 12.456 4.623 3.929) 13.855 4.551 ( -0.635 -7.330 3.564) 8.175 4.551 ( -0.635 7.330 3.564) 8.175 4.761 ( 2.599 -1.876 0.673) 3.275 4.761 ( 2.599 1.876 0.673) 3.275 4.822 ( 2.281 -2.844 -0.947) 3.767 4.822 ( 2.281 2.844 -0.947) 3.767 4.891 ( -3.691 -2.515 -0.046) 4.467 4.891 ( -3.691 2.515 -0.046) 4.467 5.410 ( 6.921 -1.450 4.523) 8.394 5.410 ( 6.921 1.450 4.523) 8.394 5.573 ( -1.152 -7.229 -0.962) 7.383 5.573 ( -1.152 7.229 -0.962) 7.384 5.765 ( -4.280 -7.782 -3.540) 9.560 5.765 ( -4.280 7.782 -3.540) 9.561 5.923 ( -4.286 -6.181 -3.382) 8.247 5.923 ( -4.286 6.181 -3.382) 8.247 6.376 ( 0.270 -5.705 0.856) 5.775 6.376 ( 0.270 5.705 0.856) 5.775 6.602 ( -2.083 -4.998 -1.175) 5.541 6.602 ( -2.083 4.998 -1.175) 5.541 6.891 ( -0.833 -1.748 -0.878) 2.126 6.891 ( -0.833 1.748 -0.878) 2.126 7.015 ( 0.006 -1.459 -0.244) 1.479 7.015 ( 0.006 1.459 -0.244) 1.479 7.392 ( -3.740 -4.093 0.857) 5.610 7.392 ( -3.740 4.093 0.857) 5.610 7.776 ( 2.374 -3.143 -1.642) 4.268 7.776 ( 2.374 3.143 -1.642) 4.268 8.151 ( 3.428 -2.410 1.867) 4.588 8.151 ( 3.428 2.410 1.867) 4.588 8.350 ( 3.617 -4.993 2.224) 6.555 8.350 ( 3.617 4.993 2.224) 6.555 8.492 ( -1.213 -2.574 -0.816) 2.961 8.492 ( -1.213 2.574 -0.816) 2.961 8.649 ( -2.821 -3.935 -0.059) 4.842 8.649 ( -2.821 3.935 -0.059) 4.842 9.144 ( -0.012 -1.568 -1.035) 1.878 9.144 ( -0.012 1.568 -1.035) 1.879 9.188 ( -2.458 -3.188 1.190) 4.198 9.188 ( -2.458 3.188 1.190) 4.198 9.332 ( -1.320 -3.408 1.398) 3.913 9.332 ( -1.320 3.408 1.398) 3.913 9.610 ( 0.297 -3.635 -1.427) 3.916 9.610 ( 0.297 3.635 -1.427) 3.916 10.725 ( -1.141 -11.557 -1.293) 11.685 10.725 ( -1.141 11.557 -1.293) 11.685 11.152 ( -1.733 -5.301 0.838) 5.639 11.152 ( -1.733 5.301 0.838) 5.639 16.407 ( -0.016 -0.829 0.029) 0.830 16.407 ( -0.016 0.829 0.029) 0.830 16.458 ( -0.012 -0.105 -0.014) 0.107 16.458 ( -0.012 0.105 -0.014) 0.107 18.413 ( 0.362 -4.609 -0.023) 4.623 18.413 ( 0.362 4.609 -0.023) 4.623 18.433 ( -0.335 -5.549 0.021) 5.559 18.433 ( -0.335 5.549 0.021) 5.559 21.640 ( 0.072 -1.965 -0.414) 2.009 21.640 ( 0.072 1.965 -0.414) 2.009 21.699 ( -0.273 -0.994 0.425) 1.115 21.699 ( -0.273 0.994 0.425) 1.115 27.274 ( 0.148 -2.345 0.055) 2.350 27.274 ( 0.148 2.345 0.055) 2.350 27.338 ( -0.057 -2.845 -0.041) 2.846 27.338 ( -0.057 2.845 -0.041) 2.846 36.201 ( 1.086 -1.292 -0.206) 1.700 36.201 ( 1.086 1.292 -0.206) 1.700 36.836 ( 1.593 -7.464 0.118) 7.633 36.836 ( 1.593 7.464 0.118) 7.633 38.058 ( -3.281 -2.682 0.521) 4.270 38.058 ( -3.281 2.682 0.521) 4.270 38.149 ( -2.927 -2.344 -0.459) 3.778 38.149 ( -2.927 2.344 -0.459) 3.778 ======================= Grid point 91 (29/108) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 7.551 0.000 27.497) 28.515 0.781 ( -8.915 0.000 37.093) 38.149 1.304 ( -8.011 0.000 60.749) 61.275 1.542 ( -3.068 0.000 -15.971) 16.263 2.174 ( 6.356 0.000 -28.006) 28.718 3.022 ( -1.378 0.000 11.407) 11.490 3.073 ( 2.522 0.000 -8.897) 9.248 3.237 ( 5.558 0.000 -0.221) 5.562 3.354 ( -1.823 0.000 7.135) 7.365 3.384 ( -1.615 0.000 -3.467) 3.824 3.513 ( -2.904 0.000 -7.412) 7.961 3.662 ( 3.084 0.000 5.063) 5.929 3.861 ( -2.927 0.000 1.509) 3.293 3.999 ( 1.490 0.000 -7.675) 7.818 4.027 ( 5.863 0.000 -3.428) 6.791 4.200 ( 7.665 0.000 -12.412) 14.588 4.217 ( 1.212 0.000 1.013) 1.579 4.233 ( -6.624 0.000 -4.016) 7.746 4.251 ( -4.344 0.000 -5.382) 6.917 4.445 ( 1.260 0.000 -8.527) 8.620 4.700 ( 0.077 0.000 7.778) 7.778 4.855 ( -2.714 0.000 -0.283) 2.728 5.371 ( -1.916 0.000 1.423) 2.387 5.412 ( -1.828 0.000 -0.598) 1.923 5.578 ( 0.758 0.000 14.473) 14.492 5.694 ( 0.635 0.000 -2.997) 3.064 5.963 ( -2.150 0.000 -13.526) 13.696 5.990 ( 1.665 0.000 -5.001) 5.271 6.317 ( -1.739 0.000 1.600) 2.363 6.443 ( 0.539 0.000 -1.329) 1.435 6.627 ( 2.772 0.000 12.370) 12.677 6.672 ( 4.852 0.000 13.668) 14.503 6.863 ( 2.593 0.000 7.360) 7.804 7.050 ( -2.855 0.000 -6.640) 7.228 7.158 ( -0.726 0.000 0.520) 0.893 7.243 ( -3.410 0.000 -0.853) 3.515 7.311 ( -0.859 0.000 1.125) 1.415 7.569 ( 2.769 0.000 -8.792) 9.217 7.777 ( -1.588 0.000 3.942) 4.250 7.934 ( 1.084 0.000 -2.143) 2.402 8.095 ( -13.418 0.000 8.688) 15.985 8.134 ( 0.369 0.000 4.726) 4.740 8.263 ( 3.652 0.000 0.825) 3.744 8.426 ( -3.595 0.000 -4.651) 5.878 8.652 ( 0.621 0.000 1.837) 1.939 8.880 ( 2.329 0.000 -6.602) 7.001 9.045 ( 4.924 0.000 -3.081) 5.809 9.080 ( -1.287 0.000 -2.974) 3.241 9.255 ( -8.714 0.000 -1.886) 8.916 9.343 ( 0.624 0.000 -1.794) 1.899 9.733 ( -5.471 0.000 1.963) 5.812 9.770 ( 8.532 0.000 1.153) 8.609 9.904 ( -12.057 0.000 5.313) 13.176 10.261 ( 8.211 0.000 -11.135) 13.835 10.383 ( 2.646 0.000 2.800) 3.852 10.609 ( 2.173 0.000 -5.983) 6.365 10.731 ( -4.337 0.000 2.304) 4.911 10.784 ( 1.140 0.000 0.387) 1.204 11.192 ( -11.246 0.000 14.974) 18.727 11.717 ( 28.496 0.000 -7.671) 29.510 16.365 ( -0.864 0.000 0.550) 1.024 16.388 ( 0.740 0.000 -0.341) 0.815 16.641 ( -5.088 0.000 0.187) 5.092 16.677 ( 1.077 0.000 -1.168) 1.589 18.167 ( 0.773 0.000 0.485) 0.913 18.217 ( -1.724 0.000 -2.004) 2.643 18.377 ( 1.368 0.000 2.996) 3.293 18.452 ( -0.702 0.000 -0.437) 0.827 21.478 ( 0.208 0.000 0.431) 0.479 21.502 ( -0.186 0.000 -0.473) 0.509 21.716 ( -6.633 0.000 0.153) 6.634 21.724 ( 35.952 0.000 -0.164) 35.952 27.286 ( 0.091 0.000 0.303) 0.316 27.305 ( 0.458 0.000 -0.469) 0.656 27.345 ( -1.659 0.000 0.190) 1.670 27.349 ( 1.239 0.000 -0.036) 1.239 36.154 ( 2.617 0.000 3.333) 4.238 36.400 ( -8.485 0.000 -7.509) 11.330 36.780 ( 25.629 0.000 6.177) 26.363 36.961 (-104.689 0.000 -2.199) 104.712 37.615 ( 0.384 0.000 0.986) 1.058 37.656 ( -0.810 0.000 -0.538) 0.973 39.835 ( 0.335 0.000 0.489) 0.592 39.872 ( -0.132 0.000 -0.907) 0.917 ======================= Grid point 92 (30/108) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 12.455 0.000 28.398) 31.010 1.001 ( 16.326 0.000 27.054) 31.598 1.612 ( 15.312 0.000 -19.068) 24.455 1.688 ( 26.496 0.000 40.572) 48.458 2.271 ( 13.364 0.000 -24.056) 27.519 3.083 ( 2.681 0.000 12.695) 12.975 3.110 ( 3.888 0.000 -3.609) 5.305 3.325 ( 4.033 0.000 -9.661) 10.469 3.419 ( 7.091 0.000 3.110) 7.743 3.425 ( 7.017 0.000 -6.363) 9.473 3.471 ( 0.552 0.000 -0.353) 0.655 3.778 ( 5.403 0.000 8.389) 9.978 3.874 ( 4.726 0.000 -9.585) 10.687 4.086 ( 9.266 0.000 -5.282) 10.666 4.135 ( 3.659 0.000 -8.293) 9.064 4.135 ( 2.902 0.000 -1.007) 3.072 4.202 ( 3.407 0.000 -3.262) 4.717 4.313 ( 2.538 0.000 -3.579) 4.387 4.393 ( 10.073 0.000 1.746) 10.223 4.595 ( 15.634 0.000 -9.079) 18.079 4.737 ( 6.059 0.000 6.612) 8.968 4.812 ( -1.222 0.000 -1.897) 2.257 5.411 ( 4.861 0.000 3.397) 5.930 5.458 ( 6.672 0.000 1.418) 6.821 5.632 ( 0.831 0.000 5.947) 6.005 5.672 ( -0.978 0.000 -0.377) 1.048 5.845 ( -4.596 0.000 -8.753) 9.886 5.981 ( 0.393 0.000 -6.082) 6.095 6.307 ( -0.014 0.000 2.463) 2.464 6.417 ( -1.748 0.000 -1.687) 2.430 6.664 ( -4.359 0.000 13.882) 14.551 6.741 ( -2.446 0.000 13.020) 13.248 6.958 ( 5.106 0.000 2.281) 5.593 7.003 ( -0.582 0.000 -9.302) 9.320 7.161 ( -0.031 0.000 4.202) 4.202 7.176 ( -2.816 0.000 0.873) 2.948 7.292 ( -1.340 0.000 0.691) 1.507 7.528 ( -5.104 0.000 -9.111) 10.443 7.728 ( -4.763 0.000 3.676) 6.016 7.942 ( -0.135 0.000 -2.798) 2.802 8.062 ( 3.044 0.000 -1.356) 3.332 8.147 ( -1.782 0.000 6.109) 6.364 8.286 ( -8.884 0.000 -4.798) 10.097 8.336 ( 2.300 0.000 2.230) 3.204 8.661 ( 0.709 0.000 -3.430) 3.503 8.899 ( 1.723 0.000 -4.146) 4.490 8.973 ( -6.460 0.000 -1.952) 6.748 9.090 ( -2.887 0.000 -5.029) 5.799 9.161 ( -1.510 0.000 2.311) 2.761 9.297 ( -1.863 0.000 4.734) 5.087 9.567 ( -9.352 0.000 -2.853) 9.778 9.649 ( -14.457 0.000 8.881) 16.967 9.846 ( -1.095 0.000 4.620) 4.748 10.321 ( -6.851 0.000 4.801) 8.366 10.349 ( 2.820 0.000 -9.083) 9.511 10.577 ( -1.945 0.000 -11.850) 12.008 10.694 ( 0.174 0.000 7.305) 7.307 10.842 ( 4.563 0.000 0.234) 4.569 11.042 ( -7.979 0.000 10.196) 12.947 12.073 ( 7.364 0.000 -14.989) 16.700 16.365 ( 0.513 0.000 0.040) 0.514 16.405 ( 0.841 0.000 0.310) 0.896 16.583 ( -1.144 0.000 1.681) 2.033 16.688 ( 0.032 0.000 -0.625) 0.626 18.179 ( 0.151 0.000 1.548) 1.555 18.184 ( -0.827 0.000 -2.272) 2.418 18.417 ( 1.490 0.000 3.044) 3.389 18.450 ( 0.848 0.000 -1.310) 1.561 21.486 ( -1.108 0.000 -1.196) 1.630 21.499 ( 1.825 0.000 0.463) 1.882 21.639 ( 0.172 0.000 -4.587) 4.590 22.163 ( 6.142 0.000 -7.724) 9.868 27.291 ( 0.231 0.000 0.343) 0.413 27.294 ( -1.595 0.000 -0.014) 1.595 27.341 ( 1.377 0.000 -1.359) 1.935 27.374 ( 0.945 0.000 0.860) 1.278 35.681 ( -20.088 0.000 18.545) 27.339 36.205 ( -7.831 0.000 -3.140) 8.437 36.256 ( 4.593 0.000 7.051) 8.415 37.256 ( 14.748 0.000 14.925) 20.982 37.627 ( 0.311 0.000 2.083) 2.106 37.640 ( -0.795 0.000 -0.902) 1.203 39.758 ( -8.240 0.000 0.507) 8.256 39.779 ( -8.806 0.000 -1.125) 8.877 ======================= Grid point 93 (31/108) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 17.138 0.000 23.358) 28.971 1.517 ( 26.250 0.000 15.633) 30.552 1.910 ( 19.880 0.000 -18.395) 27.085 2.382 ( 26.376 0.000 -0.544) 26.382 2.568 ( 25.431 0.000 3.469) 25.666 3.211 ( 7.098 0.000 -0.206) 7.101 3.230 ( 9.205 0.000 7.906) 12.134 3.420 ( 9.814 0.000 -6.882) 11.986 3.489 ( 2.647 0.000 0.058) 2.648 3.582 ( 9.687 0.000 -1.206) 9.762 3.628 ( 11.330 0.000 -0.860) 11.363 3.910 ( 3.993 0.000 2.958) 4.969 3.949 ( 7.318 0.000 -7.634) 10.575 4.201 ( 4.421 0.000 -2.489) 5.073 4.226 ( 3.677 0.000 -2.388) 4.385 4.282 ( 10.925 0.000 -2.890) 11.301 4.290 ( 5.031 0.000 7.669) 9.172 4.357 ( 6.185 0.000 -5.407) 8.215 4.568 ( 9.138 0.000 0.753) 9.169 4.795 ( 0.680 0.000 -5.125) 5.170 4.879 ( 13.553 0.000 -3.039) 13.889 5.016 ( 16.100 0.000 0.908) 16.125 5.539 ( 5.527 0.000 -2.238) 5.963 5.589 ( 1.423 0.000 -1.116) 1.808 5.696 ( 4.651 0.000 -5.346) 7.086 5.709 ( 8.316 0.000 2.268) 8.619 5.759 ( 0.352 0.000 4.578) 4.591 5.962 ( -0.229 0.000 -4.307) 4.313 6.348 ( 3.214 0.000 3.414) 4.689 6.384 ( -0.777 0.000 -1.097) 1.344 6.597 ( -6.104 0.000 11.796) 13.281 6.719 ( -4.228 0.000 12.265) 12.974 6.882 ( -7.913 0.000 -14.626) 16.629 7.038 ( 2.575 0.000 -5.539) 6.108 7.138 ( -1.081 0.000 0.180) 1.096 7.184 ( -0.578 0.000 8.463) 8.483 7.270 ( -0.734 0.000 -0.318) 0.800 7.378 ( -5.742 0.000 -2.685) 6.339 7.630 ( -5.666 0.000 5.234) 7.714 7.886 ( -5.575 0.000 -5.765) 8.020 8.029 ( -7.539 0.000 -2.547) 7.958 8.096 ( -5.219 0.000 -0.377) 5.232 8.096 ( -5.368 0.000 3.864) 6.614 8.357 ( -0.815 0.000 3.044) 3.151 8.656 ( 0.439 0.000 -6.347) 6.362 8.840 ( -10.216 0.000 -6.290) 11.997 8.856 ( -5.201 0.000 0.833) 5.267 8.953 ( -1.063 0.000 -0.137) 1.072 9.164 ( 0.730 0.000 1.116) 1.334 9.337 ( -0.891 0.000 4.985) 5.064 9.380 ( -6.721 0.000 -5.351) 8.591 9.408 ( -12.772 0.000 7.267) 14.695 9.796 ( -4.893 0.000 3.648) 6.103 10.185 ( -8.355 0.000 3.785) 9.172 10.288 ( -5.397 0.000 -6.689) 8.595 10.476 ( -3.978 0.000 -11.003) 11.700 10.756 ( 1.350 0.000 11.108) 11.190 10.952 ( 6.293 0.000 -0.966) 6.366 10.982 ( -0.784 0.000 6.150) 6.200 12.030 ( -4.968 0.000 -9.004) 10.283 16.379 ( 0.886 0.000 -0.140) 0.897 16.421 ( 0.476 0.000 0.917) 1.033 16.571 ( -0.976 0.000 1.212) 1.556 16.664 ( -2.104 0.000 -1.183) 2.414 18.168 ( 0.038 0.000 -2.586) 2.586 18.184 ( -0.348 0.000 2.249) 2.276 18.458 ( 1.511 0.000 2.983) 3.343 18.474 ( 2.064 0.000 -2.022) 2.889 21.475 ( 0.903 0.000 -1.920) 2.122 21.547 ( 2.668 0.000 0.365) 2.693 21.658 ( 2.593 0.000 -4.590) 5.272 22.125 ( -5.412 0.000 1.687) 5.669 27.262 ( -1.542 0.000 0.005) 1.542 27.296 ( 0.080 0.000 0.222) 0.236 27.364 ( 1.314 0.000 -1.390) 1.913 27.390 ( 0.228 0.000 1.389) 1.408 35.678 ( 8.463 0.000 -5.594) 10.145 36.087 ( -3.632 0.000 0.651) 3.690 36.388 ( 5.368 0.000 9.088) 10.555 37.433 ( 0.015 0.000 9.376) 9.376 37.620 ( -0.747 0.000 -1.021) 1.265 37.640 ( -0.518 0.000 3.685) 3.721 39.529 ( -14.744 0.000 0.601) 14.756 39.532 ( -15.272 0.000 -1.235) 15.322 ======================= Grid point 94 (32/108) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 23.835 0.000 12.156) 26.756 2.096 ( 26.127 0.000 5.394) 26.678 2.240 ( 20.757 0.000 -9.537) 22.843 2.762 ( 20.339 0.000 -14.273) 24.847 3.086 ( 16.787 0.000 10.551) 19.827 3.380 ( 9.154 0.000 1.103) 9.221 3.537 ( 18.815 0.000 -0.412) 18.819 3.553 ( 3.880 0.000 1.741) 4.252 3.638 ( 12.211 0.000 -3.767) 12.779 3.773 ( 8.593 0.000 1.010) 8.653 3.846 ( 10.290 0.000 -1.652) 10.422 3.984 ( 3.623 0.000 6.848) 7.747 4.082 ( 7.895 0.000 -8.950) 11.935 4.204 ( -4.095 0.000 2.327) 4.711 4.307 ( 8.343 0.000 6.966) 10.868 4.475 ( 8.928 0.000 10.178) 13.539 4.492 ( 8.205 0.000 -6.758) 10.630 4.503 ( 12.016 0.000 -4.663) 12.889 4.772 ( 11.464 0.000 -2.180) 11.669 4.801 ( 2.261 0.000 -4.925) 5.419 5.085 ( 7.881 0.000 1.428) 8.009 5.223 ( 3.795 0.000 -1.523) 4.089 5.567 ( -1.128 0.000 -2.483) 2.727 5.581 ( -0.702 0.000 -3.734) 3.799 5.652 ( -3.585 0.000 5.640) 6.683 5.892 ( 3.983 0.000 0.203) 3.989 5.965 ( 2.464 0.000 3.053) 3.923 5.979 ( 12.712 0.000 -2.835) 13.024 6.400 ( 3.716 0.000 -1.624) 4.056 6.423 ( 0.015 0.000 -2.636) 2.636 6.540 ( -2.791 0.000 8.085) 8.553 6.583 ( -10.395 0.000 -11.348) 15.390 6.717 ( -1.757 0.000 7.966) 8.157 7.020 ( -1.460 0.000 -6.898) 7.051 7.135 ( -6.677 0.000 1.601) 6.867 7.136 ( 0.963 0.000 0.146) 0.974 7.278 ( 2.642 0.000 -2.079) 3.362 7.324 ( -0.414 0.000 2.635) 2.667 7.613 ( 1.877 0.000 6.877) 7.129 7.651 ( -12.662 0.000 -4.610) 13.475 7.899 ( -5.271 0.000 -0.599) 5.305 7.988 ( -6.795 0.000 4.103) 7.938 8.040 ( -0.008 0.000 1.468) 1.468 8.350 ( -0.558 0.000 4.873) 4.905 8.623 ( -1.515 0.000 -6.261) 6.442 8.634 ( -6.883 0.000 -1.903) 7.141 8.770 ( -4.090 0.000 1.661) 4.414 8.945 ( -0.777 0.000 -3.957) 4.032 9.187 ( 1.245 0.000 -0.265) 1.272 9.213 ( -6.492 0.000 -0.562) 6.516 9.213 ( -8.858 0.000 4.375) 9.879 9.314 ( -3.269 0.000 -1.888) 3.775 9.697 ( -5.996 0.000 2.041) 6.334 10.029 ( -8.358 0.000 2.072) 8.611 10.115 ( -9.424 0.000 -4.536) 10.459 10.323 ( -7.734 0.000 -11.085) 13.516 10.808 ( -1.856 0.000 17.972) 18.068 11.037 ( 3.765 0.000 2.354) 4.440 11.068 ( 5.804 0.000 -1.802) 6.078 11.845 ( -10.495 0.000 -6.897) 12.559 16.397 ( 0.894 0.000 -0.323) 0.951 16.428 ( -0.207 0.000 1.262) 1.279 16.550 ( -1.562 0.000 1.185) 1.960 16.605 ( -2.966 0.000 -1.851) 3.496 18.165 ( 0.607 0.000 -2.667) 2.735 18.182 ( -0.718 0.000 2.444) 2.547 18.498 ( 1.446 0.000 2.770) 3.125 18.513 ( 2.571 0.000 -2.255) 3.420 21.501 ( 1.994 0.000 -1.031) 2.245 21.599 ( 2.366 0.000 0.167) 2.372 21.688 ( 1.754 0.000 -3.688) 4.084 22.015 ( -6.221 0.000 3.050) 6.928 27.235 ( -1.104 0.000 -0.051) 1.105 27.292 ( -0.534 0.000 -0.015) 0.534 27.383 ( 1.242 0.000 -1.355) 1.839 27.395 ( -0.104 0.000 1.622) 1.625 35.841 ( 10.006 0.000 -9.617) 13.879 36.062 ( 0.234 0.000 2.617) 2.628 36.525 ( 4.658 0.000 10.058) 11.084 37.390 ( -5.434 0.000 2.308) 5.903 37.611 ( 0.417 0.000 -1.058) 1.137 37.638 ( -0.073 0.000 2.097) 2.098 39.189 ( -18.455 0.000 -1.193) 18.494 39.202 ( -18.143 0.000 0.657) 18.155 ======================= Grid point 95 (33/108) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 25.616 0.000 2.348) 25.723 2.496 ( 18.000 0.000 -4.348) 18.518 2.738 ( 26.327 0.000 5.880) 26.975 3.097 ( 17.003 0.000 -8.759) 19.127 3.359 ( 11.070 0.000 3.232) 11.532 3.507 ( 2.266 0.000 -2.703) 3.527 3.679 ( 9.258 0.000 -0.298) 9.263 3.776 ( 4.940 0.000 -7.924) 9.338 3.827 ( 6.675 0.000 0.719) 6.714 3.947 ( 10.991 0.000 2.550) 11.283 3.973 ( 2.390 0.000 -0.651) 2.477 4.082 ( 1.920 0.000 -0.881) 2.112 4.120 ( -5.166 0.000 7.629) 9.214 4.179 ( 5.223 0.000 2.661) 5.861 4.595 ( 5.089 0.000 -7.017) 8.668 4.608 ( 10.525 0.000 1.781) 10.675 4.695 ( 13.759 0.000 17.082) 21.935 4.722 ( 10.531 0.000 -3.238) 11.018 4.865 ( 5.915 0.000 -3.782) 7.021 4.995 ( 10.729 0.000 0.177) 10.731 5.191 ( 2.940 0.000 -2.673) 3.974 5.228 ( -0.133 0.000 0.465) 0.484 5.523 ( -2.547 0.000 -3.972) 4.719 5.541 ( -1.839 0.000 6.817) 7.061 5.574 ( -7.625 0.000 6.538) 10.045 5.805 ( -11.481 0.000 -1.411) 11.567 6.021 ( 0.405 0.000 -1.111) 1.182 6.121 ( 3.562 0.000 -5.080) 6.204 6.172 ( -11.877 0.000 -12.073) 16.936 6.411 ( -2.539 0.000 -6.921) 7.372 6.513 ( -1.822 0.000 -2.380) 2.997 6.629 ( 6.256 0.000 7.194) 9.534 6.775 ( 1.667 0.000 14.651) 14.746 6.959 ( -1.366 0.000 -3.216) 3.494 7.014 ( -3.661 0.000 -0.575) 3.706 7.185 ( 3.350 0.000 -0.623) 3.407 7.262 ( -6.240 0.000 -2.470) 6.711 7.373 ( 8.088 0.000 -5.537) 9.802 7.499 ( -3.114 0.000 7.486) 8.108 7.683 ( 2.702 0.000 -1.613) 3.147 7.800 ( -3.999 0.000 -2.127) 4.530 7.881 ( -4.284 0.000 2.439) 4.929 8.172 ( 12.714 0.000 5.061) 13.684 8.386 ( 1.495 0.000 4.425) 4.671 8.554 ( -2.951 0.000 -6.424) 7.070 8.588 ( 1.764 0.000 5.512) 5.788 8.704 ( -3.269 0.000 1.515) 3.604 8.889 ( -1.101 0.000 -8.074) 8.149 9.093 ( -5.502 0.000 -2.197) 5.925 9.105 ( -2.792 0.000 1.322) 3.089 9.205 ( 0.752 0.000 -1.285) 1.489 9.280 ( 1.086 0.000 0.409) 1.161 9.581 ( -6.308 0.000 1.502) 6.485 9.883 ( -6.606 0.000 0.626) 6.636 9.900 ( -10.759 0.000 -2.337) 11.010 10.083 ( -12.333 0.000 -11.205) 16.663 10.797 ( -6.711 0.000 18.877) 20.034 11.122 ( 3.786 0.000 1.408) 4.040 11.161 ( 4.264 0.000 -2.300) 4.844 11.574 ( -14.329 0.000 -5.931) 15.508 16.411 ( 0.697 0.000 -0.479) 0.845 16.421 ( -0.908 0.000 1.226) 1.525 16.522 ( -1.585 0.000 0.896) 1.820 16.545 ( -2.259 0.000 -1.669) 2.809 18.170 ( 0.889 0.000 -2.475) 2.629 18.175 ( -0.929 0.000 2.236) 2.422 18.533 ( 1.101 0.000 2.441) 2.678 18.555 ( 2.469 0.000 -2.093) 3.237 21.536 ( 1.623 0.000 -0.113) 1.627 21.638 ( 1.456 0.000 -0.180) 1.467 21.700 ( 0.705 0.000 -2.507) 2.605 21.910 ( -5.323 0.000 2.313) 5.804 27.219 ( -0.555 0.000 -0.155) 0.577 27.274 ( -1.216 0.000 -0.070) 1.218 27.400 ( -0.070 0.000 1.553) 1.554 27.402 ( 1.162 0.000 -1.300) 1.744 35.989 ( 8.236 0.000 -8.112) 11.560 36.100 ( 2.158 0.000 3.068) 3.751 36.638 ( 2.936 0.000 10.028) 10.449 37.276 ( -5.264 0.000 -2.902) 6.011 37.637 ( 2.882 0.000 -1.051) 3.068 37.668 ( 2.550 0.000 1.439) 2.928 38.815 ( -18.608 0.000 -1.140) 18.643 38.838 ( -18.621 0.000 0.682) 18.634 ======================= Grid point 96 (34/108) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 22.383 0.000 -5.195) 22.978 2.836 ( 16.490 0.000 3.099) 16.778 3.214 ( 17.847 0.000 5.607) 18.707 3.330 ( 8.779 0.000 -1.231) 8.865 3.472 ( -3.112 0.000 -4.971) 5.865 3.599 ( 12.576 0.000 -1.509) 12.666 3.789 ( 1.171 0.000 -8.183) 8.267 3.839 ( -3.165 0.000 2.150) 3.826 3.853 ( 5.558 0.000 -0.223) 5.563 4.028 ( 3.114 0.000 0.463) 3.148 4.044 ( -4.374 0.000 2.084) 4.845 4.080 ( -0.493 0.000 6.220) 6.240 4.167 ( 8.912 0.000 2.428) 9.237 4.324 ( 7.547 0.000 3.670) 8.392 4.642 ( 1.612 0.000 -1.765) 2.391 4.676 ( 0.049 0.000 -4.812) 4.812 4.839 ( 0.844 0.000 -0.147) 0.857 4.994 ( 8.129 0.000 -2.755) 8.583 5.050 ( 12.156 0.000 11.815) 16.952 5.091 ( -1.528 0.000 2.789) 3.180 5.214 ( 1.878 0.000 -6.406) 6.676 5.292 ( 3.735 0.000 -0.337) 3.750 5.403 ( -10.123 0.000 -6.734) 12.158 5.426 ( -8.122 0.000 4.422) 9.248 5.518 ( -9.295 0.000 -8.724) 12.748 5.582 ( 3.084 0.000 7.756) 8.347 5.986 ( -0.635 0.000 0.422) 0.763 6.057 ( 0.687 0.000 1.967) 2.084 6.097 ( -3.957 0.000 -4.919) 6.313 6.332 ( -1.982 0.000 -5.335) 5.691 6.425 ( -5.907 0.000 -1.658) 6.135 6.654 ( -3.825 0.000 -0.028) 3.825 6.828 ( -2.984 0.000 17.510) 17.763 6.940 ( -0.564 0.000 -1.002) 1.150 7.050 ( 3.948 0.000 6.763) 7.831 7.093 ( -5.328 0.000 -1.719) 5.599 7.340 ( 8.429 0.000 0.640) 8.453 7.481 ( -1.956 0.000 7.466) 7.718 7.502 ( 5.138 0.000 -3.464) 6.196 7.697 ( 0.338 0.000 -3.597) 3.613 7.737 ( -1.200 0.000 -2.515) 2.786 7.911 ( 9.949 0.000 -10.125) 14.195 8.406 ( -0.501 0.000 1.229) 1.327 8.458 ( 0.644 0.000 -6.308) 6.340 8.474 ( 6.288 0.000 6.720) 9.203 8.653 ( -2.450 0.000 1.405) 2.824 8.654 ( 1.333 0.000 3.440) 3.690 8.923 ( 3.779 0.000 -7.635) 8.519 9.007 ( 0.931 0.000 -0.841) 1.255 9.124 ( 3.269 0.000 -1.381) 3.549 9.228 ( 4.672 0.000 -2.120) 5.130 9.356 ( 5.993 0.000 3.007) 6.705 9.469 ( -5.241 0.000 1.454) 5.438 9.687 ( -10.150 0.000 0.353) 10.156 9.771 ( -14.446 0.000 -9.228) 17.142 9.788 ( -2.884 0.000 0.411) 2.913 10.679 ( -11.511 0.000 16.359) 20.003 11.175 ( -6.928 0.000 -5.240) 8.686 11.190 ( 2.501 0.000 1.102) 2.733 11.296 ( -6.026 0.000 -2.569) 6.550 16.405 ( -1.032 0.000 0.941) 1.397 16.420 ( 0.465 0.000 -0.634) 0.786 16.497 ( -1.153 0.000 0.530) 1.269 16.507 ( -1.168 0.000 -0.924) 1.489 18.163 ( -0.998 0.000 1.802) 2.060 18.181 ( 1.033 0.000 -2.096) 2.337 18.557 ( 0.422 0.000 2.046) 2.089 18.592 ( 1.948 0.000 -1.723) 2.600 21.562 ( 0.969 0.000 0.503) 1.092 21.655 ( 0.575 0.000 -0.695) 0.902 21.702 ( 0.425 0.000 -1.241) 1.312 21.825 ( -3.922 0.000 1.290) 4.129 27.212 ( -0.066 0.000 -0.228) 0.238 27.248 ( -1.299 0.000 -0.008) 1.299 27.403 ( -0.182 0.000 1.278) 1.290 27.419 ( 0.980 0.000 -1.131) 1.497 36.106 ( 6.245 0.000 -5.721) 8.470 36.153 ( 1.723 0.000 2.424) 2.974 36.711 ( 0.708 0.000 9.516) 9.542 37.179 ( -2.835 0.000 -5.217) 5.937 37.723 ( 6.298 0.000 -1.066) 6.388 37.752 ( 5.520 0.000 1.199) 5.649 38.463 ( -16.313 0.000 -1.177) 16.356 38.488 ( -16.851 0.000 0.730) 16.867 ======================= Grid point 97 (35/108) ======================= q-point: ( 0.46 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 7.397 0.000 6.516) 9.857 3.143 ( 13.917 0.000 -8.441) 16.276 3.344 ( -1.816 0.000 -1.515) 2.365 3.456 ( 0.352 0.000 3.541) 3.559 3.469 ( 5.602 0.000 2.663) 6.203 3.769 ( 3.869 0.000 -8.422) 9.269 3.797 ( 2.325 0.000 -1.960) 3.041 3.815 ( 1.819 0.000 3.321) 3.786 3.944 ( 2.885 0.000 -0.085) 2.886 3.968 ( -3.674 0.000 5.545) 6.652 4.003 ( -2.227 0.000 4.553) 5.069 4.183 ( 5.021 0.000 0.883) 5.098 4.282 ( 1.568 0.000 -0.902) 1.809 4.467 ( 0.446 0.000 6.578) 6.593 4.582 ( -2.383 0.000 -11.201) 11.452 4.644 ( -1.742 0.000 -1.085) 2.052 4.793 ( -3.277 0.000 2.579) 4.170 5.012 ( -3.914 0.000 -4.012) 5.605 5.136 ( 5.917 0.000 -3.180) 6.717 5.175 ( -6.894 0.000 -7.663) 10.308 5.190 ( -2.795 0.000 -2.383) 3.673 5.230 ( -0.638 0.000 4.834) 4.876 5.307 ( 1.780 0.000 -0.819) 1.959 5.347 ( 0.096 0.000 2.165) 2.167 5.437 ( 1.973 0.000 0.235) 1.987 5.712 ( 7.496 0.000 0.952) 7.557 5.954 ( -7.948 0.000 -4.023) 8.908 6.018 ( 2.257 0.000 0.461) 2.303 6.155 ( 5.653 0.000 8.015) 9.808 6.295 ( -0.232 0.000 -2.593) 2.603 6.295 ( -5.660 0.000 -0.491) 5.681 6.565 ( -3.752 0.000 -2.593) 4.561 6.800 ( -5.563 0.000 17.130) 18.010 6.937 ( 0.284 0.000 0.432) 0.517 7.037 ( -0.074 0.000 0.510) 0.515 7.116 ( 0.037 0.000 7.176) 7.176 7.464 ( 0.414 0.000 4.522) 4.541 7.499 ( 1.896 0.000 4.816) 5.176 7.562 ( 2.673 0.000 -0.859) 2.807 7.708 ( 1.429 0.000 2.057) 2.504 7.756 ( 4.388 0.000 0.360) 4.403 8.100 ( 11.214 0.000 -18.659) 21.769 8.352 ( -4.203 0.000 -10.744) 11.537 8.380 ( -1.560 0.000 -3.526) 3.855 8.577 ( -0.941 0.000 5.673) 5.751 8.622 ( -1.253 0.000 2.295) 2.615 8.724 ( 3.825 0.000 -5.392) 6.611 8.835 ( -3.070 0.000 -7.049) 7.689 9.090 ( 0.663 0.000 0.687) 0.954 9.142 ( 0.738 0.000 -2.410) 2.521 9.363 ( -0.474 0.000 3.634) 3.664 9.445 ( 8.132 0.000 -4.436) 9.263 9.456 ( -3.283 0.000 -0.646) 3.346 9.513 ( -8.102 0.000 -4.476) 9.256 9.599 ( 6.004 0.000 9.392) 11.147 9.774 ( -0.042 0.000 2.593) 2.593 10.505 ( -9.627 0.000 12.901) 16.097 10.938 ( -7.575 0.000 -6.158) 9.763 11.225 ( 0.664 0.000 0.944) 1.154 11.287 ( 0.885 0.000 -1.385) 1.644 16.392 ( -0.568 0.000 0.775) 0.961 16.425 ( 0.318 0.000 -0.742) 0.807 16.482 ( -0.571 0.000 0.284) 0.638 16.491 ( -0.249 0.000 -0.386) 0.459 18.150 ( -0.928 0.000 1.271) 1.574 18.195 ( 1.109 0.000 -1.614) 1.958 18.564 ( -0.476 0.000 1.633) 1.701 18.617 ( 1.150 0.000 -1.288) 1.727 21.579 ( 0.545 0.000 0.952) 1.097 21.658 ( 0.105 0.000 -1.298) 1.303 21.712 ( 0.906 0.000 -0.015) 0.906 21.766 ( -2.445 0.000 0.323) 2.467 27.214 ( 0.266 0.000 -0.148) 0.305 27.227 ( -0.779 0.000 -0.076) 0.782 27.401 ( -0.440 0.000 0.949) 1.046 27.432 ( 0.703 0.000 -0.864) 1.114 36.174 ( -0.437 0.000 1.063) 1.149 36.193 ( 4.474 0.000 -3.710) 5.812 36.737 ( -1.465 0.000 9.221) 9.337 37.127 ( -0.486 0.000 -5.757) 5.778 37.875 ( 9.062 0.000 -1.213) 9.143 37.880 ( 5.629 0.000 1.063) 5.728 38.189 ( -9.443 0.000 -1.265) 9.528 38.193 ( -12.636 0.000 0.912) 12.669 ======================= Grid point 98 (36/108) ======================= q-point: (-0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -6.956 0.000 0.738) 6.995 3.291 ( 4.041 0.000 -5.556) 6.871 3.340 ( -2.193 0.000 2.492) 3.319 3.435 ( -4.639 0.000 2.924) 5.484 3.529 ( -4.911 0.000 0.527) 4.939 3.674 ( -8.887 0.000 -1.433) 9.002 3.847 ( 5.363 0.000 -4.960) 7.305 3.852 ( -1.048 0.000 -1.523) 1.849 3.942 ( -2.294 0.000 3.691) 4.346 3.974 ( 1.194 0.000 5.498) 5.627 4.041 ( 3.965 0.000 8.050) 8.973 4.220 ( -4.952 0.000 -5.059) 7.079 4.228 ( -1.917 0.000 2.782) 3.378 4.285 ( -10.730 0.000 -3.293) 11.224 4.552 ( -4.851 0.000 -4.057) 6.324 4.674 ( 5.833 0.000 0.105) 5.833 4.808 ( 3.338 0.000 3.834) 5.084 4.927 ( -3.325 0.000 -5.899) 6.772 5.035 ( -7.456 0.000 -0.323) 7.463 5.103 ( -2.097 0.000 -2.673) 3.398 5.180 ( -1.178 0.000 -6.989) 7.087 5.230 ( 3.115 0.000 -0.090) 3.117 5.376 ( 6.336 0.000 -1.421) 6.493 5.395 ( 1.540 0.000 3.185) 3.538 5.543 ( 4.908 0.000 8.486) 9.803 5.709 ( -8.901 0.000 -4.628) 10.033 5.920 ( 7.750 0.000 -2.670) 8.197 6.067 ( 2.306 0.000 -4.103) 4.706 6.180 ( -1.544 0.000 1.935) 2.476 6.323 ( 4.152 0.000 -1.273) 4.343 6.334 ( 5.459 0.000 8.609) 10.194 6.489 ( -2.983 0.000 -4.583) 5.468 6.752 ( -4.715 0.000 12.998) 13.826 6.953 ( 0.990 0.000 1.472) 1.774 7.092 ( 4.521 0.000 3.663) 5.818 7.131 ( -0.315 0.000 4.915) 4.925 7.465 ( -1.607 0.000 2.684) 3.128 7.489 ( -3.249 0.000 3.937) 5.105 7.606 ( 1.687 0.000 0.706) 1.829 7.762 ( 2.333 0.000 5.607) 6.073 7.889 ( 5.576 0.000 9.059) 10.638 8.131 ( -5.633 0.000 -15.463) 16.457 8.209 ( -6.081 0.000 -12.822) 14.191 8.292 ( -1.610 0.000 -18.227) 18.298 8.544 ( -2.553 0.000 1.736) 3.087 8.592 ( -5.906 0.000 1.186) 6.024 8.624 ( 0.694 0.000 2.411) 2.509 8.959 ( 6.815 0.000 -8.269) 10.716 9.068 ( 1.476 0.000 0.987) 1.775 9.164 ( 1.837 0.000 -1.973) 2.696 9.327 ( -9.184 0.000 0.641) 9.206 9.341 ( -1.338 0.000 3.034) 3.316 9.456 ( 2.260 0.000 0.747) 2.380 9.568 ( 3.959 0.000 -2.664) 4.772 9.727 ( -5.318 0.000 2.901) 6.058 9.730 ( 2.394 0.000 3.047) 3.875 10.506 ( 6.215 0.000 12.440) 13.906 10.953 ( 11.148 0.000 -5.774) 12.555 11.222 ( -1.337 0.000 0.922) 1.624 11.285 ( -0.713 0.000 -1.361) 1.537 16.388 ( -0.070 0.000 0.650) 0.654 16.429 ( 0.351 0.000 -0.621) 0.714 16.476 ( -0.120 0.000 0.123) 0.172 16.494 ( 0.728 0.000 -0.221) 0.761 18.137 ( -0.744 0.000 0.726) 1.040 18.212 ( 1.140 0.000 -1.087) 1.575 18.550 ( -1.443 0.000 1.240) 1.902 18.627 ( 0.206 0.000 -0.877) 0.901 21.592 ( 0.279 0.000 1.362) 1.390 21.652 ( -0.051 0.000 -1.790) 1.791 21.730 ( -1.197 0.000 -0.743) 1.408 21.740 ( 1.739 0.000 1.133) 2.075 27.219 ( 0.049 0.000 -0.367) 0.370 27.221 ( 0.437 0.000 0.143) 0.460 27.393 ( -0.710 0.000 0.638) 0.955 27.440 ( 0.344 0.000 -0.553) 0.651 36.141 ( -2.938 0.000 -0.453) 2.973 36.254 ( 2.886 0.000 -2.691) 3.946 36.727 ( -3.019 0.000 10.094) 10.535 37.110 ( 0.789 0.000 -6.132) 6.182 37.849 ( -7.422 0.000 -0.225) 7.426 37.911 ( -7.657 0.000 0.087) 7.658 38.160 ( 11.638 0.000 -0.288) 11.641 38.218 ( 11.157 0.000 -0.079) 11.158 ======================= Grid point 99 (37/108) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -7.721 0.000 -1.393) 7.846 3.100 ( -26.121 0.000 -3.026) 26.296 3.203 ( -18.621 0.000 3.999) 19.046 3.300 ( -2.725 0.000 0.956) 2.888 3.330 ( -5.249 0.000 1.917) 5.588 3.544 ( -7.637 0.000 -6.311) 9.907 3.734 ( -8.092 0.000 -5.435) 9.748 3.880 ( -4.502 0.000 -6.757) 8.119 3.918 ( -1.864 0.000 5.781) 6.074 4.039 ( 0.607 0.000 4.659) 4.698 4.111 ( -3.794 0.000 -3.310) 5.034 4.115 ( -2.760 0.000 -1.369) 3.081 4.120 ( -7.589 0.000 3.601) 8.400 4.201 ( 5.656 0.000 13.625) 14.752 4.464 ( -2.384 0.000 -7.043) 7.435 4.704 ( -5.005 0.000 2.327) 5.520 4.797 ( -9.805 0.000 -3.347) 10.361 4.906 ( -2.318 0.000 -0.537) 2.379 4.924 ( 5.149 0.000 6.971) 8.666 5.108 ( 3.235 0.000 0.646) 3.299 5.139 ( 0.250 0.000 -8.751) 8.755 5.270 ( 0.600 0.000 -0.161) 0.621 5.349 ( -7.431 0.000 0.162) 7.432 5.543 ( 9.236 0.000 -0.021) 9.236 5.562 ( -2.645 0.000 -0.079) 2.646 5.681 ( 6.543 0.000 8.158) 10.458 6.020 ( -5.196 0.000 -0.520) 5.222 6.056 ( 6.521 0.000 -5.994) 8.857 6.231 ( 4.937 0.000 -6.836) 8.432 6.390 ( -3.159 0.000 -7.510) 8.147 6.449 ( 6.342 0.000 -0.368) 6.353 6.475 ( 5.176 0.000 8.512) 9.962 6.737 ( 0.270 0.000 9.404) 9.408 6.987 ( 1.626 0.000 2.206) 2.741 7.145 ( 0.051 0.000 3.652) 3.652 7.197 ( 3.386 0.000 1.203) 3.593 7.369 ( -6.498 0.000 1.321) 6.631 7.525 ( 4.776 0.000 5.497) 7.282 7.632 ( 0.176 0.000 2.435) 2.441 7.749 ( -19.026 0.000 -18.260) 26.371 7.843 ( 2.433 0.000 6.056) 6.526 8.008 ( -4.906 0.000 1.744) 5.207 8.025 ( -0.416 0.000 2.713) 2.745 8.287 ( 4.302 0.000 -12.386) 13.112 8.513 ( -0.496 0.000 -1.745) 1.814 8.526 ( -5.656 0.000 5.114) 7.625 8.666 ( 2.410 0.000 2.871) 3.749 8.904 ( -3.983 0.000 -6.070) 7.260 9.102 ( -3.945 0.000 -0.321) 3.958 9.143 ( -3.963 0.000 -2.315) 4.590 9.246 ( 4.008 0.000 -2.336) 4.639 9.331 ( -1.215 0.000 2.516) 2.794 9.557 ( 8.131 0.000 -2.816) 8.604 9.577 ( 1.018 0.000 2.905) 3.078 9.740 ( 5.633 0.000 -0.630) 5.668 9.795 ( 5.764 0.000 -2.676) 6.355 10.763 ( 12.132 0.000 14.174) 18.657 11.183 ( -2.835 0.000 1.362) 3.145 11.231 ( 14.288 0.000 -5.251) 15.222 11.250 ( 0.249 0.000 -2.814) 2.825 16.392 ( 0.148 0.000 0.400) 0.426 16.436 ( 0.588 0.000 0.031) 0.588 16.476 ( 0.080 0.000 -0.182) 0.199 16.518 ( 1.777 0.000 -0.337) 1.809 18.126 ( -0.480 0.000 0.229) 0.532 18.232 ( 1.159 0.000 -0.578) 1.295 18.516 ( -2.354 0.000 0.916) 2.526 18.619 ( -0.739 0.000 -0.537) 0.914 21.599 ( -0.176 0.000 1.690) 1.699 21.641 ( -0.475 0.000 -1.869) 1.929 21.711 ( -0.205 0.000 -2.322) 2.331 21.788 ( 2.445 0.000 2.358) 3.397 27.226 ( 0.851 0.000 -0.816) 1.180 27.231 ( 0.525 0.000 0.580) 0.782 27.378 ( -0.929 0.000 0.390) 1.008 27.441 ( -0.096 0.000 -0.242) 0.261 36.061 ( -4.507 0.000 -1.838) 4.867 36.283 ( 0.989 0.000 -3.364) 3.506 36.708 ( -2.872 0.000 13.634) 13.933 37.103 ( 0.813 0.000 -7.424) 7.468 37.709 ( -5.851 0.000 -0.528) 5.875 37.768 ( -6.024 0.000 0.650) 6.059 38.452 ( 16.976 0.000 -0.681) 16.990 38.501 ( 16.520 0.000 0.239) 16.522 ======================= Grid point 100 (38/108) ======================= q-point: (-0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -32.362 0.000 0.413) 32.365 2.715 ( -23.409 0.000 5.889) 24.138 2.814 ( -12.615 0.000 -6.282) 14.093 3.123 ( -16.063 0.000 -5.519) 16.984 3.265 ( -2.124 0.000 4.202) 4.709 3.377 ( -6.284 0.000 0.297) 6.291 3.526 ( -10.650 0.000 -4.415) 11.529 3.613 ( -18.896 0.000 -4.783) 19.492 3.857 ( -8.214 0.000 -0.093) 8.215 3.938 ( -9.451 0.000 1.844) 9.629 3.990 ( -6.156 0.000 5.102) 7.995 4.025 ( -4.481 0.000 2.778) 5.273 4.143 ( 0.844 0.000 -2.184) 2.341 4.339 ( 1.942 0.000 9.547) 9.743 4.376 ( -4.022 0.000 -7.793) 8.770 4.508 ( -10.501 0.000 1.301) 10.581 4.624 ( -8.066 0.000 1.692) 8.241 4.875 ( -1.072 0.000 -4.639) 4.762 4.960 ( -6.488 0.000 8.765) 10.905 5.153 ( 3.766 0.000 -5.285) 6.490 5.182 ( -8.171 0.000 1.638) 8.334 5.223 ( 6.759 0.000 3.512) 7.617 5.255 ( -1.342 0.000 -4.461) 4.658 5.627 ( 8.891 0.000 4.199) 9.832 5.673 ( 2.056 0.000 4.307) 4.773 5.820 ( -2.905 0.000 -0.016) 2.905 5.926 ( 3.781 0.000 1.334) 4.009 6.098 ( -0.584 0.000 -7.600) 7.622 6.244 ( -1.679 0.000 -5.668) 5.912 6.281 ( -3.623 0.000 -6.687) 7.605 6.545 ( -0.650 0.000 4.713) 4.758 6.556 ( 2.059 0.000 -1.923) 2.817 6.895 ( 12.104 0.000 4.961) 13.081 7.015 ( -0.712 0.000 1.214) 1.408 7.163 ( 0.639 0.000 2.264) 2.353 7.183 ( -3.817 0.000 -4.358) 5.793 7.268 ( -3.545 0.000 0.819) 3.639 7.354 ( -10.880 0.000 -11.349) 15.722 7.609 ( -4.954 0.000 4.902) 6.969 7.701 ( 9.476 0.000 3.775) 10.200 7.860 ( -1.799 0.000 -2.387) 2.989 7.934 ( 3.505 0.000 6.027) 6.972 8.154 ( 4.287 0.000 19.102) 19.577 8.277 ( -3.397 0.000 -8.252) 8.924 8.435 ( 1.659 0.000 -2.094) 2.671 8.512 ( 1.523 0.000 -4.103) 4.377 8.728 ( 2.593 0.000 1.608) 3.051 8.883 ( 3.232 0.000 -5.718) 6.568 9.056 ( 0.069 0.000 -0.799) 0.802 9.061 ( -1.258 0.000 -1.809) 2.203 9.306 ( -1.741 0.000 0.234) 1.757 9.317 ( 3.571 0.000 -0.746) 3.648 9.676 ( 5.857 0.000 5.376) 7.950 9.722 ( 9.960 0.000 -8.436) 13.052 9.876 ( 7.434 0.000 1.011) 7.502 9.948 ( 10.478 0.000 -2.704) 10.821 10.996 ( 3.295 0.000 9.287) 9.855 11.159 ( 1.740 0.000 8.322) 8.502 11.175 ( -4.256 0.000 -1.202) 4.422 11.518 ( 14.217 0.000 -10.009) 17.386 16.395 ( 0.018 0.000 0.042) 0.046 16.451 ( 0.277 0.000 1.883) 1.903 16.479 ( 0.776 0.000 -1.235) 1.459 16.560 ( 2.564 0.000 -0.709) 2.660 18.120 ( -0.157 0.000 -0.164) 0.227 18.254 ( 1.193 0.000 -0.179) 1.206 18.465 ( -3.087 0.000 0.730) 3.172 18.594 ( -1.540 0.000 -0.277) 1.564 21.595 ( -0.978 0.000 1.778) 2.029 21.617 ( -1.304 0.000 -1.632) 2.089 21.699 ( 0.134 0.000 -4.550) 4.552 21.850 ( 2.436 0.000 3.922) 4.617 27.244 ( 1.340 0.000 -1.222) 1.814 27.246 ( 0.638 0.000 0.982) 1.171 27.359 ( -1.060 0.000 0.211) 1.080 27.434 ( -0.584 0.000 0.064) 0.587 35.963 ( -4.084 0.000 -3.431) 5.334 36.263 ( -1.451 0.000 -4.978) 5.185 36.739 ( 0.161 0.000 20.311) 20.312 37.078 ( -0.279 0.000 -9.784) 9.788 37.622 ( -2.896 0.000 -0.414) 2.925 37.684 ( -2.902 0.000 0.746) 2.997 38.807 ( 18.897 0.000 -0.632) 18.908 38.852 ( 18.640 0.000 0.192) 18.641 ======================= Grid point 101 (39/108) ======================= q-point: (-0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -32.568 0.000 5.081) 32.962 2.171 ( -31.791 0.000 11.194) 33.704 2.573 ( -11.643 0.000 -11.134) 16.110 2.734 ( -19.665 0.000 -8.741) 21.520 3.061 ( -34.509 0.000 -0.953) 34.522 3.236 ( -2.927 0.000 5.367) 6.113 3.266 ( -7.259 0.000 8.148) 10.913 3.304 ( -9.873 0.000 -2.469) 10.177 3.677 ( -6.864 0.000 -0.506) 6.882 3.750 ( -9.938 0.000 0.298) 9.943 3.876 ( -7.311 0.000 -4.642) 8.660 3.934 ( -5.233 0.000 3.102) 6.083 4.099 ( -4.754 0.000 4.264) 6.386 4.211 ( -7.882 0.000 -12.659) 14.913 4.340 ( -5.243 0.000 4.186) 6.709 4.371 ( -4.855 0.000 1.523) 5.088 4.490 ( -5.876 0.000 2.016) 6.212 4.807 ( -9.626 0.000 4.674) 10.701 4.817 ( -3.339 0.000 -4.675) 5.745 5.000 ( -10.832 0.000 4.104) 11.583 5.186 ( -3.077 0.000 -3.872) 4.945 5.209 ( -1.200 0.000 -4.723) 4.873 5.368 ( 5.584 0.000 0.040) 5.584 5.530 ( -12.301 0.000 -0.175) 12.302 5.746 ( -1.629 0.000 -1.515) 2.225 5.858 ( 6.827 0.000 4.059) 7.943 6.010 ( -3.075 0.000 -0.227) 3.084 6.077 ( 3.005 0.000 -4.544) 5.448 6.164 ( -0.895 0.000 4.652) 4.737 6.192 ( -3.400 0.000 -4.601) 5.721 6.491 ( -5.405 0.000 -1.553) 5.623 6.529 ( -2.001 0.000 4.891) 5.285 6.909 ( -7.646 0.000 -2.704) 8.110 7.078 ( -0.287 0.000 -4.231) 4.241 7.154 ( 5.526 0.000 0.757) 5.578 7.170 ( 0.872 0.000 -0.089) 0.877 7.264 ( 5.873 0.000 -0.128) 5.874 7.323 ( 3.180 0.000 0.822) 3.284 7.520 ( -1.792 0.000 4.390) 4.742 7.817 ( 3.934 0.000 -4.377) 5.885 8.003 ( 12.278 0.000 5.706) 13.539 8.006 ( 2.262 0.000 2.710) 3.530 8.232 ( 1.830 0.000 -5.570) 5.863 8.323 ( 5.241 0.000 16.908) 17.701 8.538 ( 9.038 0.000 -7.464) 11.721 8.544 ( 3.484 0.000 -4.686) 5.840 8.776 ( 2.826 0.000 -1.030) 3.008 8.920 ( 1.704 0.000 -3.447) 3.845 9.097 ( 3.821 0.000 -1.161) 3.994 9.118 ( 6.469 0.000 2.395) 6.898 9.271 ( -1.309 0.000 -0.718) 1.493 9.400 ( 5.445 0.000 0.212) 5.449 9.804 ( 4.113 0.000 7.424) 8.487 9.885 ( 10.285 0.000 -9.701) 14.139 10.025 ( 6.765 0.000 2.425) 7.186 10.168 ( 12.265 0.000 -2.944) 12.613 10.961 ( -5.049 0.000 1.854) 5.378 11.072 ( -5.684 0.000 -0.923) 5.759 11.301 ( 3.726 0.000 17.767) 18.153 11.703 ( 8.981 0.000 -15.222) 17.674 16.392 ( -0.232 0.000 -0.304) 0.383 16.447 ( -1.266 0.000 1.962) 2.335 16.512 ( 2.706 0.000 -0.046) 2.706 16.608 ( 2.536 0.000 -1.284) 2.843 18.120 ( 0.232 0.000 -0.392) 0.455 18.277 ( 1.253 0.000 -0.091) 1.257 18.403 ( -3.498 0.000 0.848) 3.600 18.558 ( -2.055 0.000 -0.071) 2.056 21.573 ( -1.758 0.000 1.522) 2.325 21.577 ( -2.135 0.000 -1.676) 2.714 21.673 ( -0.895 0.000 -7.066) 7.123 21.904 ( 0.926 0.000 5.825) 5.898 27.264 ( 0.792 0.000 1.128) 1.378 27.266 ( 1.331 0.000 -1.260) 1.833 27.339 ( -0.980 0.000 -0.012) 0.980 27.419 ( -1.021 0.000 0.385) 1.091 35.897 ( -0.171 0.000 -5.581) 5.583 36.200 ( -2.645 0.000 -4.925) 5.591 36.883 ( 5.732 0.000 28.659) 29.227 37.010 ( -2.607 0.000 -12.509) 12.778 37.587 ( -0.664 0.000 -0.130) 0.677 37.653 ( -0.678 0.000 0.760) 1.018 39.177 ( 18.499 0.000 -0.506) 18.506 39.222 ( 18.358 0.000 -0.009) 18.358 ======================= Grid point 102 (40/108) ======================= q-point: (-0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -29.300 0.000 11.043) 31.312 1.584 ( -32.485 0.000 17.358) 36.832 2.182 ( -41.189 0.000 20.329) 45.933 2.241 ( -17.892 0.000 -10.903) 20.952 2.477 ( -14.443 0.000 -21.996) 26.314 3.135 ( -5.269 0.000 -2.552) 5.855 3.154 ( -7.469 0.000 10.260) 12.691 3.197 ( -2.729 0.000 2.148) 3.473 3.557 ( -9.346 0.000 0.477) 9.359 3.596 ( -1.690 0.000 -1.323) 2.146 3.681 ( -9.289 0.000 -3.798) 10.036 3.827 ( -8.048 0.000 0.785) 8.086 4.010 ( -5.518 0.000 2.315) 5.984 4.032 ( -2.614 0.000 -11.137) 11.439 4.209 ( -7.219 0.000 -2.475) 7.632 4.296 ( -3.828 0.000 1.786) 4.224 4.396 ( -4.876 0.000 -0.119) 4.878 4.626 ( -9.088 0.000 -3.070) 9.592 4.708 ( -6.000 0.000 -3.369) 6.881 4.820 ( -9.909 0.000 7.930) 12.692 4.850 ( -24.126 0.000 0.900) 24.143 5.128 ( -5.093 0.000 -15.703) 16.509 5.425 ( 0.125 0.000 6.227) 6.228 5.484 ( 5.189 0.000 -4.586) 6.925 5.643 ( -8.177 0.000 0.179) 8.179 5.725 ( -13.041 0.000 2.014) 13.196 6.009 ( -1.461 0.000 -8.303) 8.431 6.012 ( 0.100 0.000 -5.469) 5.470 6.270 ( 4.125 0.000 5.155) 6.602 6.272 ( 8.290 0.000 10.654) 13.500 6.424 ( -0.464 0.000 -0.044) 0.466 6.525 ( -0.673 0.000 8.761) 8.787 6.792 ( -2.869 0.000 0.318) 2.886 7.075 ( 1.699 0.000 -3.144) 3.574 7.186 ( 0.434 0.000 -0.390) 0.583 7.204 ( 1.394 0.000 2.024) 2.457 7.329 ( -1.149 0.000 1.254) 1.700 7.451 ( 9.864 0.000 -3.708) 10.538 7.627 ( 7.368 0.000 4.241) 8.501 7.871 ( 3.196 0.000 -4.589) 5.592 8.056 ( 2.185 0.000 1.622) 2.721 8.243 ( 0.280 0.000 -4.421) 4.430 8.263 ( 10.749 0.000 1.942) 10.923 8.444 ( 2.479 0.000 4.852) 5.449 8.611 ( 3.692 0.000 -1.236) 3.893 8.706 ( 10.728 0.000 -11.704) 15.877 8.869 ( 7.015 0.000 1.997) 7.293 8.935 ( 1.111 0.000 -1.195) 1.632 9.175 ( 4.339 0.000 0.418) 4.359 9.231 ( 1.433 0.000 1.743) 2.256 9.325 ( 8.496 0.000 3.368) 9.139 9.542 ( 8.481 0.000 1.332) 8.585 9.885 ( 1.006 0.000 9.761) 9.812 10.050 ( 9.565 0.000 -10.282) 14.043 10.151 ( 4.798 0.000 2.932) 5.623 10.387 ( 10.663 0.000 -3.511) 11.226 10.865 ( -4.757 0.000 1.212) 4.909 10.949 ( -6.362 0.000 -0.392) 6.374 11.385 ( -2.676 0.000 19.902) 20.081 11.749 ( 2.362 0.000 -22.023) 22.150 16.385 ( -0.257 0.000 -0.564) 0.620 16.422 ( -1.825 0.000 1.504) 2.365 16.580 ( 3.720 0.000 1.812) 4.138 16.645 ( 1.670 0.000 -1.795) 2.452 18.127 ( 0.689 0.000 -0.354) 0.774 18.299 ( 0.906 0.000 -1.941) 2.142 18.340 ( -2.991 0.000 2.859) 4.138 18.516 ( -2.146 0.000 0.089) 2.148 21.521 ( -2.712 0.000 -3.299) 4.270 21.541 ( -1.879 0.000 0.903) 2.085 21.601 ( -3.781 0.000 -7.708) 8.585 21.916 ( -2.561 0.000 7.229) 7.669 27.284 ( 0.615 0.000 -0.495) 0.789 27.284 ( 0.836 0.000 0.814) 1.167 27.324 ( -0.239 0.000 -0.641) 0.684 27.398 ( -1.301 0.000 0.737) 1.495 35.950 ( 8.948 0.000 -7.257) 11.521 36.138 ( -1.797 0.000 -3.034) 3.526 36.876 ( -6.025 0.000 -14.017) 15.257 37.206 ( 15.602 0.000 35.932) 39.173 37.587 ( 0.493 0.000 0.225) 0.542 37.657 ( 0.621 0.000 1.442) 1.570 39.512 ( 15.116 0.000 -0.410) 15.121 39.555 ( 15.031 0.000 -0.310) 15.034 ======================= Grid point 103 (41/108) ======================= q-point: (-0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -26.618 0.000 14.904) 30.506 1.056 ( -28.063 0.000 27.603) 39.363 1.511 ( -33.578 0.000 46.793) 57.594 1.825 ( -18.079 0.000 -11.574) 21.466 2.234 ( -2.200 0.000 -27.307) 27.396 3.057 ( -5.709 0.000 9.635) 11.200 3.073 ( 0.757 0.000 -9.454) 9.485 3.173 ( 0.057 0.000 3.038) 3.039 3.408 ( -6.126 0.000 4.513) 7.609 3.487 ( -6.686 0.000 -2.499) 7.137 3.619 ( 1.036 0.000 2.553) 2.755 3.643 ( -7.577 0.000 -6.551) 10.016 3.909 ( -4.329 0.000 0.714) 4.387 4.050 ( 5.795 0.000 -6.971) 9.065 4.068 ( -4.325 0.000 -4.770) 6.439 4.197 ( -12.681 0.000 -6.296) 14.158 4.241 ( -4.239 0.000 -3.384) 5.424 4.437 ( -13.252 0.000 2.226) 13.437 4.444 ( -7.434 0.000 -7.144) 10.310 4.605 ( -13.070 0.000 -3.973) 13.660 4.651 ( -0.928 0.000 6.133) 6.203 4.942 ( -5.749 0.000 -7.781) 9.675 5.445 ( -2.697 0.000 2.794) 3.883 5.486 ( -5.849 0.000 -0.141) 5.851 5.534 ( -5.414 0.000 13.350) 14.406 5.604 ( 7.619 0.000 -4.249) 8.724 5.975 ( 0.439 0.000 -5.572) 5.589 6.011 ( 2.172 0.000 -13.123) 13.302 6.329 ( 0.812 0.000 1.298) 1.531 6.400 ( 2.338 0.000 4.850) 5.384 6.505 ( 5.569 0.000 7.541) 9.374 6.566 ( 0.582 0.000 13.411) 13.424 6.795 ( 1.370 0.000 5.938) 6.094 7.094 ( 0.682 0.000 -3.202) 3.274 7.179 ( -0.939 0.000 -0.427) 1.031 7.244 ( 1.930 0.000 0.960) 2.156 7.319 ( -0.444 0.000 1.034) 1.125 7.570 ( 3.737 0.000 -8.412) 9.205 7.752 ( 2.875 0.000 4.648) 5.466 7.910 ( 2.452 0.000 -3.977) 4.672 8.105 ( 1.382 0.000 3.986) 4.219 8.223 ( 0.416 0.000 -3.914) 3.936 8.355 ( -3.957 0.000 -3.909) 5.563 8.472 ( 0.148 0.000 -2.225) 2.230 8.640 ( -0.684 0.000 2.642) 2.729 8.837 ( 6.254 0.000 -11.484) 13.077 8.969 ( 3.136 0.000 -1.262) 3.380 9.036 ( 6.629 0.000 0.073) 6.629 9.276 ( 5.373 0.000 -0.226) 5.377 9.319 ( 5.556 0.000 3.995) 6.843 9.511 ( 10.703 0.000 1.167) 10.767 9.711 ( 6.201 0.000 2.898) 6.845 9.944 ( 1.713 0.000 12.569) 12.685 10.164 ( 6.315 0.000 -11.370) 13.006 10.235 ( 3.188 0.000 4.909) 5.853 10.544 ( 6.343 0.000 -3.780) 7.384 10.795 ( -2.909 0.000 0.660) 2.983 10.830 ( -5.157 0.000 -0.486) 5.180 11.339 ( -9.196 0.000 19.586) 21.637 11.622 ( -5.687 0.000 -21.753) 22.484 16.381 ( 0.173 0.000 -0.650) 0.673 16.391 ( -1.776 0.000 1.067) 2.072 16.661 ( 3.090 0.000 1.216) 3.321 16.662 ( 0.998 0.000 -1.830) 2.084 18.145 ( 1.144 0.000 0.051) 1.145 18.266 ( -2.265 0.000 -2.306) 3.232 18.343 ( 0.886 0.000 3.314) 3.431 18.477 ( -1.683 0.000 0.077) 1.685 21.428 ( -3.719 0.000 -3.774) 5.298 21.508 ( -2.723 0.000 0.491) 2.767 21.512 ( -1.021 0.000 0.069) 1.024 21.848 ( -6.730 0.000 5.840) 8.911 27.286 ( -0.151 0.000 0.266) 0.306 27.299 ( 0.477 0.000 0.007) 0.477 27.329 ( 0.919 0.000 -0.898) 1.285 27.374 ( -1.435 0.000 0.890) 1.689 36.117 ( 0.375 0.000 -0.023) 0.375 36.225 ( 20.996 0.000 -4.372) 21.447 36.678 ( -8.365 0.000 -12.452) 15.001 37.602 ( 0.686 0.000 0.578) 0.897 37.620 ( 4.906 0.000 1.217) 5.055 37.784 ( 14.639 0.000 13.636) 20.006 39.748 ( 8.459 0.000 -0.339) 8.466 39.791 ( 8.517 0.000 -0.632) 8.541 ======================= Grid point 104 (42/108) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 3.736 24.457 18.359) 30.808 1.086 ( -3.871 25.554 27.062) 37.421 1.643 ( -2.616 11.788 -13.146) 17.850 1.862 ( -5.286 47.316 36.682) 60.103 2.370 ( 4.754 17.819 -25.699) 31.632 2.969 ( -2.363 -17.797 2.762) 18.164 3.089 ( -0.365 1.100 6.400) 6.504 3.170 ( 6.116 1.537 -3.294) 7.115 3.231 ( -0.905 -5.023 0.810) 5.168 3.415 ( -2.162 -5.179 -2.158) 6.012 3.454 ( 0.949 -3.389 -5.319) 6.378 3.660 ( 6.226 -6.525 2.012) 9.241 3.726 ( 4.264 -15.122 -3.686) 16.138 3.843 ( -1.656 -1.816 -0.953) 2.636 3.970 ( -4.501 8.771 -12.127) 15.629 4.160 ( -1.992 5.837 -6.107) 8.679 4.258 ( 0.373 3.698 7.233) 8.132 4.425 ( 1.316 10.724 -1.672) 10.933 4.555 ( -5.085 12.840 -2.433) 14.023 4.590 ( -1.475 12.906 -5.712) 14.191 4.744 ( 2.118 7.399 5.228) 9.304 4.938 ( 1.641 7.775 -3.070) 8.519 5.348 ( -0.685 -2.529 1.502) 3.020 5.371 ( -1.632 -3.499 0.545) 3.899 5.526 ( 2.298 -9.401 -0.060) 9.678 5.637 ( -2.230 -7.032 0.179) 7.379 5.897 ( -0.939 -2.657 -7.394) 7.913 6.074 ( 2.581 7.620 -3.281) 8.688 6.297 ( -1.459 -3.328 2.086) 4.190 6.391 ( 1.392 -6.601 1.655) 6.946 6.485 ( 4.639 -9.477 13.452) 17.097 6.678 ( -1.359 0.127 10.414) 10.503 6.927 ( 1.799 2.801 -0.480) 3.363 7.027 ( -0.183 -1.565 -5.128) 5.365 7.141 ( -0.742 -2.719 3.034) 4.141 7.224 ( -1.482 -2.328 1.596) 3.188 7.286 ( -0.136 -1.689 -1.188) 2.070 7.436 ( -2.017 -12.873 -5.868) 14.291 7.581 ( -1.735 -13.169 4.279) 13.955 7.882 ( -1.357 -8.219 -3.141) 8.902 8.044 ( -2.663 -0.831 5.226) 5.924 8.070 ( 0.018 -5.482 2.490) 6.021 8.181 ( 2.140 -4.365 -0.606) 4.899 8.369 ( -3.567 -8.121 -7.303) 11.490 8.599 ( -0.177 -4.547 4.009) 6.065 8.840 ( 2.915 -2.575 -6.134) 7.264 8.999 ( 3.224 -1.820 1.238) 3.903 9.101 ( -1.699 -0.153 -1.690) 2.402 9.320 ( 2.097 9.880 1.179) 10.169 9.572 ( -3.624 13.081 0.261) 13.576 9.725 ( -4.428 -0.772 1.413) 4.712 9.801 ( 6.576 1.653 2.585) 7.257 10.009 ( -8.286 8.339 -0.626) 11.773 10.181 ( 7.304 -5.626 -5.658) 10.818 10.329 ( -8.086 -4.597 1.907) 9.495 10.503 ( 10.787 -5.428 -5.227) 13.158 10.796 ( 3.021 11.959 2.053) 12.504 10.810 ( -1.320 3.189 0.988) 3.590 11.220 ( -12.511 6.437 19.137) 23.752 12.058 ( 14.972 10.281 -23.686) 29.848 16.361 ( 0.269 0.618 -0.360) 0.764 16.376 ( 0.592 -0.968 -0.388) 1.199 16.575 ( -1.851 -4.658 1.584) 5.257 16.638 ( 0.614 -3.487 -1.499) 3.845 18.222 ( 1.455 5.291 0.541) 5.514 18.271 ( -3.161 3.066 -1.911) 4.800 18.380 ( -0.360 0.085 3.231) 3.252 18.462 ( -0.052 0.753 -0.568) 0.945 21.471 ( 1.061 -0.656 0.770) 1.466 21.506 ( -0.575 0.504 -0.645) 1.000 21.579 ( 16.402 -7.583 7.143) 19.431 21.688 ( -5.478 -2.704 -0.548) 6.133 27.287 ( 0.013 0.069 0.241) 0.251 27.306 ( 0.679 -0.044 -0.627) 0.925 27.338 ( -1.001 -0.294 0.488) 1.152 27.351 ( 0.122 0.035 -0.172) 0.213 36.003 ( -28.392 -24.215 23.907) 44.317 36.136 ( 1.063 -2.161 3.322) 4.103 36.341 ( -8.996 -6.435 -5.914) 12.542 36.485 ( 19.321 -19.093 -1.307) 27.195 38.102 ( 3.380 34.242 7.726) 35.265 39.073 ( -17.673 50.455 -49.911) 73.138 39.801 ( -1.845 -1.480 1.658) 2.888 39.931 ( -1.062 3.801 -3.014) 4.966 ======================= Grid point 105 (43/108) ======================= q-point: ( 0.08 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 14.847 18.062 18.797) 30.000 1.228 ( 8.678 19.835 24.729) 32.867 1.717 ( 13.726 10.994 -15.639) 23.534 2.122 ( 18.146 39.822 28.103) 52.008 2.429 ( 10.458 14.437 -23.110) 29.187 2.966 ( 1.765 -16.570 2.063) 16.791 3.163 ( 3.692 2.985 9.475) 10.598 3.219 ( 1.829 -5.002 -1.079) 5.434 3.324 ( 9.479 -4.243 -4.571) 11.347 3.404 ( 2.786 -4.786 -2.119) 5.929 3.549 ( 9.240 1.256 -8.262) 12.459 3.779 ( 2.762 -1.004 0.310) 2.955 3.847 ( 8.473 -19.706 -4.702) 21.960 3.898 ( 8.517 2.080 -6.567) 10.954 3.960 ( 6.134 -2.919 1.306) 6.917 4.171 ( 5.138 5.999 -4.090) 8.895 4.264 ( -1.103 6.859 2.243) 7.300 4.359 ( -5.064 4.352 -1.553) 6.855 4.588 ( 3.828 8.639 -0.031) 9.449 4.615 ( 8.419 6.946 -1.141) 10.974 4.869 ( 5.980 9.312 0.421) 11.074 5.033 ( 9.711 17.166 -3.857) 20.096 5.342 ( 3.771 -5.766 1.580) 7.068 5.442 ( 6.076 -3.145 0.675) 6.875 5.604 ( 4.557 -6.480 -2.502) 8.308 5.635 ( 3.568 -2.471 0.073) 4.341 5.826 ( -4.310 1.346 -1.921) 4.906 6.069 ( -1.414 5.744 -3.826) 7.045 6.288 ( 0.174 -2.228 2.736) 3.533 6.400 ( 0.038 -1.992 -1.134) 2.293 6.592 ( 0.759 -7.214 12.884) 14.786 6.680 ( -3.143 -3.042 12.624) 13.360 6.937 ( 0.626 -3.743 -9.385) 10.123 7.026 ( 1.172 0.193 -3.924) 4.100 7.142 ( -0.477 0.389 5.292) 5.328 7.196 ( -2.222 -2.002 3.275) 4.435 7.281 ( 0.040 0.086 -1.520) 1.523 7.366 ( -3.399 -14.271 -2.924) 14.959 7.526 ( -5.285 -14.827 3.503) 16.125 7.872 ( 0.323 -8.215 -3.951) 9.121 8.024 ( -1.236 1.267 0.904) 1.988 8.066 ( -1.597 -8.864 -0.087) 9.008 8.230 ( -0.745 -5.096 -4.423) 6.788 8.311 ( 2.308 -0.048 -0.465) 2.355 8.616 ( 0.976 -4.503 1.271) 4.779 8.874 ( 1.913 -1.611 -4.001) 4.719 9.019 ( -3.946 0.103 -3.647) 5.374 9.075 ( 1.354 -2.172 1.903) 3.189 9.297 ( -3.927 9.113 3.609) 10.558 9.398 ( -11.897 10.286 1.923) 15.844 9.575 ( -9.799 1.166 3.394) 10.436 9.767 ( -12.669 6.548 -3.225) 14.621 9.862 ( -1.642 4.385 4.742) 6.664 10.187 ( -6.341 -6.745 3.171) 9.786 10.305 ( 4.155 -4.216 -8.782) 10.591 10.638 ( 4.272 2.218 -11.255) 12.241 10.786 ( -3.169 7.572 5.843) 10.076 10.843 ( 0.557 -3.273 2.995) 4.471 11.086 ( -5.126 10.494 11.743) 16.562 12.116 ( -1.003 0.302 -14.173) 14.211 16.369 ( 0.502 0.863 -0.430) 1.088 16.392 ( 0.948 -1.118 0.163) 1.475 16.553 ( -0.736 -3.039 1.423) 3.435 16.638 ( -0.335 -4.278 -1.287) 4.480 18.211 ( -1.557 2.416 -1.752) 3.366 18.249 ( 0.650 6.277 1.912) 6.594 18.394 ( 0.702 -1.641 2.074) 2.736 18.476 ( 1.354 1.635 -0.412) 2.162 21.486 ( -0.525 0.125 -0.960) 1.102 21.503 ( 1.770 0.448 0.193) 1.836 21.625 ( 0.428 -1.347 -4.218) 4.448 21.916 ( 10.137 -17.371 2.876) 20.317 27.280 ( -0.789 -0.438 -0.243) 0.934 27.306 ( -1.291 0.176 0.557) 1.417 27.324 ( 1.300 -0.687 -0.944) 1.747 27.370 ( 0.870 -0.385 0.854) 1.278 35.669 ( -7.665 1.066 10.115) 12.736 36.151 ( -5.539 -5.028 -0.720) 7.515 36.238 ( 3.771 -1.434 4.287) 5.887 36.816 ( 13.001 -25.444 1.201) 28.599 38.156 ( -3.105 34.555 9.786) 36.048 38.415 ( -22.527 54.254 -18.811) 61.683 39.706 ( -8.875 -4.606 3.004) 10.440 39.805 ( -10.181 1.413 -2.514) 10.582 ======================= Grid point 106 (44/108) ======================= q-point: ( 0.15 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 14.725 14.649 17.739) 27.315 1.680 ( 25.021 13.809 16.319) 32.910 1.980 ( 17.311 7.879 -16.125) 24.936 2.566 ( 16.485 13.078 -16.814) 26.935 2.713 ( 24.621 17.854 13.810) 33.402 3.062 ( 7.208 -12.538 3.396) 14.856 3.255 ( 6.302 -0.909 -2.819) 6.963 3.351 ( 8.538 -6.469 5.717) 12.142 3.493 ( 8.858 -10.382 -3.760) 14.156 3.510 ( 8.382 4.055 2.551) 9.654 3.709 ( 9.271 7.513 -9.698) 15.376 3.856 ( 6.590 -7.049 -4.391) 10.602 4.000 ( 7.641 -3.825 -5.107) 9.955 4.053 ( 7.578 -8.600 2.226) 11.677 4.127 ( 8.096 -8.856 2.956) 12.358 4.228 ( -2.338 1.451 -4.497) 5.272 4.302 ( 5.580 2.694 9.642) 11.461 4.355 ( 8.986 7.325 -2.423) 11.843 4.674 ( 5.686 6.079 0.414) 8.334 4.822 ( 9.630 1.717 0.674) 9.805 4.932 ( 1.572 7.188 -6.264) 9.663 5.242 ( 11.064 12.367 -0.941) 16.620 5.510 ( 10.350 1.587 -5.989) 12.063 5.545 ( 3.850 -8.170 1.566) 9.167 5.710 ( -3.071 4.063 3.095) 5.959 5.750 ( 7.368 0.858 -1.544) 7.577 5.785 ( 10.887 5.915 0.742) 12.413 6.018 ( -1.640 2.653 -0.629) 3.182 6.327 ( 2.096 -1.938 2.145) 3.570 6.407 ( 1.827 2.331 -1.762) 3.446 6.588 ( -4.178 -0.770 7.662) 8.761 6.691 ( -0.535 -2.714 11.182) 11.519 6.843 ( -5.767 -4.378 -12.595) 14.527 7.032 ( 0.830 -3.411 -3.955) 5.288 7.110 ( -3.820 -3.550 -2.055) 5.605 7.178 ( -1.734 -0.169 4.706) 5.018 7.276 ( -0.420 1.061 -1.658) 2.013 7.321 ( -0.167 -4.600 2.921) 5.452 7.431 ( -4.282 -14.775 5.711) 16.409 7.838 ( -2.040 -7.233 -6.380) 9.858 7.944 ( -7.004 -3.043 -2.478) 8.028 8.012 ( -3.098 -1.988 3.067) 4.791 8.169 ( -3.182 1.951 -1.499) 4.022 8.369 ( 1.374 0.373 0.520) 1.516 8.646 ( 1.919 -2.490 -2.775) 4.193 8.847 ( -9.449 0.570 -5.393) 10.894 8.882 ( -1.577 -0.253 2.237) 2.748 9.049 ( -6.187 9.212 1.505) 11.199 9.226 ( -2.710 4.234 -2.128) 5.459 9.260 ( -3.608 -5.732 6.125) 9.131 9.399 ( -8.878 2.115 4.173) 10.035 9.501 ( -11.553 5.732 -3.625) 13.397 9.812 ( -5.111 3.219 4.021) 7.256 10.064 ( -7.320 -6.723 1.618) 10.069 10.264 ( -4.586 -2.944 -8.379) 9.996 10.577 ( -7.133 6.659 -5.124) 11.022 10.749 ( -2.199 -2.206 11.108) 11.536 10.883 ( 3.472 -3.685 -1.910) 5.411 11.098 ( 1.982 9.727 4.002) 10.703 11.984 ( -7.365 -4.921 -7.422) 11.556 16.380 ( 0.725 0.270 -0.137) 0.786 16.411 ( 0.702 -0.877 0.776) 1.365 16.545 ( -0.736 -2.703 1.024) 2.982 16.611 ( -1.785 -4.544 -1.555) 5.124 18.193 ( 0.159 2.455 -2.170) 3.281 18.258 ( -0.594 6.606 2.591) 7.121 18.423 ( 1.646 -2.154 1.113) 2.930 18.505 ( 1.621 1.581 -0.349) 2.291 21.483 ( 1.113 0.856 -1.872) 2.341 21.552 ( 2.661 0.457 0.277) 2.714 21.648 ( 2.596 -1.007 -4.026) 4.895 21.999 ( -1.024 -10.860 3.379) 11.420 27.256 ( -1.257 -0.465 -0.430) 1.408 27.295 ( -0.312 -0.442 0.527) 0.756 27.347 ( 1.361 -0.939 -1.128) 2.001 27.384 ( 0.156 -0.504 1.386) 1.483 35.708 ( 7.329 3.061 -3.747) 8.782 36.064 ( -2.581 -2.256 1.085) 3.595 36.364 ( 5.733 -1.814 7.479) 9.597 36.998 ( 5.708 -24.149 0.018) 24.814 37.987 ( -9.912 32.896 -3.769) 34.563 38.158 ( -8.545 30.980 7.262) 32.947 39.473 ( -15.216 -5.205 1.393) 16.142 39.530 ( -16.374 -1.268 -1.390) 16.481 ======================= Grid point 107 (45/108) ======================= q-point: ( 0.23 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 21.125 8.739 10.735) 25.256 2.241 ( 19.505 10.417 -4.965) 22.664 2.270 ( 24.360 6.032 2.033) 25.178 2.834 ( 17.315 5.730 -14.993) 23.610 3.147 ( 12.348 3.477 7.300) 14.759 3.287 ( 12.243 -5.295 6.009) 14.630 3.427 ( 12.980 -6.841 -6.645) 16.107 3.531 ( 8.179 -1.363 2.970) 8.808 3.626 ( 5.786 -16.142 -1.118) 17.184 3.787 ( 16.404 6.082 4.402) 18.041 3.822 ( 5.962 5.249 -7.203) 10.723 3.976 ( 4.210 -7.253 -2.300) 8.696 4.047 ( 0.631 -3.286 -6.121) 6.976 4.214 ( 6.664 -3.783 3.672) 8.497 4.243 ( 9.356 0.834 6.429) 11.383 4.325 ( 8.468 -5.947 0.029) 10.348 4.495 ( 9.609 -0.531 11.431) 14.943 4.574 ( 12.648 5.563 -5.097) 14.727 4.782 ( 4.889 2.847 0.672) 5.698 4.905 ( -0.066 3.763 -3.521) 5.154 5.017 ( 8.582 -0.867 -0.661) 8.651 5.367 ( 1.979 8.361 -6.525) 10.789 5.559 ( -1.037 -3.427 3.239) 4.828 5.603 ( -4.136 1.479 4.838) 6.534 5.657 ( -0.185 5.259 -0.077) 5.263 5.912 ( 6.827 1.115 -1.084) 7.002 6.034 ( 8.746 6.198 -1.426) 10.814 6.064 ( 6.939 7.005 1.990) 10.059 6.380 ( 3.314 -2.257 -1.147) 4.170 6.425 ( -3.465 1.060 -6.418) 7.370 6.516 ( -2.744 -0.749 -3.559) 4.556 6.603 ( -6.385 1.277 0.086) 6.512 6.807 ( 3.868 4.962 7.490) 9.782 7.023 ( -4.079 -3.612 -1.584) 5.674 7.031 ( 0.256 -5.670 -3.928) 6.903 7.139 ( -2.112 -0.334 1.983) 2.916 7.272 ( 1.758 0.240 -2.593) 3.142 7.320 ( -0.165 -1.488 2.191) 2.654 7.468 ( 3.767 -7.001 4.320) 9.048 7.718 ( -7.220 1.115 -2.961) 7.882 7.835 ( -2.296 -2.580 -0.272) 3.465 7.952 ( -4.730 -1.179 3.473) 5.986 8.103 ( -1.927 3.572 -0.184) 4.063 8.375 ( -0.349 1.145 2.363) 2.649 8.636 ( -3.133 1.366 -3.539) 4.920 8.665 ( -4.753 2.167 -3.073) 6.060 8.814 ( -6.984 3.577 4.365) 8.979 8.958 ( -2.196 1.053 -1.253) 2.739 9.172 ( -4.675 -3.106 -0.192) 5.616 9.192 ( -1.007 -0.099 -3.682) 3.819 9.258 ( -7.572 3.002 5.883) 10.048 9.333 ( -4.418 1.785 -3.275) 5.782 9.703 ( -6.834 1.496 2.496) 7.428 9.918 ( -7.453 -7.850 0.254) 10.828 10.093 ( -9.339 -2.838 -6.404) 11.674 10.370 ( -11.806 1.963 -2.509) 12.228 10.759 ( -2.006 -4.096 12.856) 13.641 10.958 ( 4.374 -4.544 -1.267) 6.433 11.160 ( 3.003 6.072 0.682) 6.808 11.782 ( -10.720 -6.173 -5.478) 13.529 16.395 ( 0.816 -0.071 -0.234) 0.852 16.422 ( 0.002 -0.539 1.156) 1.275 16.529 ( -1.182 -2.101 0.935) 2.586 16.563 ( -2.185 -3.679 -1.840) 4.658 18.194 ( 0.700 2.875 -2.250) 3.717 18.249 ( -1.205 6.092 2.388) 6.654 18.464 ( 2.044 -2.266 0.898) 3.181 18.534 ( 1.517 0.885 -0.465) 1.817 21.511 ( 1.996 1.010 -1.071) 2.480 21.603 ( 2.304 0.276 -0.011) 2.320 21.680 ( 1.787 -0.694 -3.114) 3.657 21.953 ( -4.097 -5.762 3.157) 7.743 27.233 ( -0.829 -0.158 -0.377) 0.924 27.290 ( -0.454 -0.380 0.287) 0.658 27.367 ( 1.066 -1.262 -1.181) 2.031 27.389 ( -0.093 -0.640 1.494) 1.628 35.858 ( 9.164 1.855 -7.273) 11.846 36.057 ( 0.857 -0.593 2.566) 2.769 36.505 ( 5.241 -1.570 8.470) 10.084 37.066 ( 2.097 -19.358 -1.964) 19.570 37.839 ( -4.434 21.036 -1.222) 21.533 38.003 ( -8.671 23.714 3.877) 25.546 39.139 ( -18.306 -5.222 -0.418) 19.040 39.175 ( -18.852 -3.136 0.158) 19.111 ======================= Grid point 108 (46/108) ======================= q-point: ( 0.31 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 22.184 3.603 2.878) 22.658 2.528 ( 16.659 1.681 -5.465) 17.613 2.832 ( 25.832 9.646 6.831) 28.407 3.108 ( 13.959 1.035 -8.955) 16.617 3.356 ( 8.796 -0.849 2.236) 9.115 3.452 ( 3.706 -4.953 -3.125) 6.930 3.640 ( 7.642 -12.432 -1.164) 14.639 3.708 ( 7.011 -4.748 -1.945) 8.688 3.750 ( 8.923 -2.100 1.266) 9.254 3.892 ( 3.420 3.290 -2.969) 5.598 3.982 ( 1.128 -8.013 2.804) 8.564 4.062 ( 7.789 3.133 1.599) 8.546 4.136 ( 8.242 0.249 -0.585) 8.267 4.271 ( 0.737 5.532 3.487) 6.580 4.467 ( 7.688 -7.146 -4.590) 11.456 4.611 ( 17.277 0.972 7.101) 18.704 4.709 ( 7.419 -1.669 9.394) 12.086 4.759 ( 7.745 2.907 -4.333) 9.338 4.882 ( 4.331 -1.138 2.110) 4.950 4.938 ( 5.753 -1.709 0.448) 6.019 5.146 ( 4.841 0.761 -1.643) 5.169 5.332 ( -1.646 3.983 -5.863) 7.277 5.471 ( -8.927 -2.152 7.080) 11.595 5.571 ( -2.614 3.062 5.147) 6.535 5.621 ( -1.490 6.901 -0.391) 7.071 5.959 ( -3.802 7.892 -0.894) 8.805 6.058 ( -2.670 4.972 -5.089) 7.599 6.125 ( -11.452 -4.333 -13.808) 18.455 6.205 ( 4.371 6.956 -0.587) 8.237 6.448 ( -2.508 2.008 -1.886) 3.725 6.486 ( -2.027 0.145 1.808) 2.720 6.605 ( 3.169 2.550 6.760) 7.889 6.907 ( 2.307 -1.216 3.077) 4.033 6.950 ( -1.310 -2.234 -1.836) 3.174 7.033 ( 1.520 8.169 2.593) 8.704 7.164 ( 3.742 -2.001 0.997) 4.359 7.279 ( -5.194 2.039 -2.735) 6.214 7.351 ( 6.649 -1.329 -2.965) 7.401 7.506 ( -1.672 2.321 3.070) 4.196 7.668 ( 3.797 -1.121 -1.868) 4.378 7.805 ( -3.355 0.969 -0.922) 3.611 7.861 ( -2.605 -1.664 1.359) 3.376 8.178 ( 10.181 0.675 3.238) 10.705 8.395 ( 1.043 0.410 3.083) 3.280 8.573 ( -3.878 2.187 -1.784) 4.796 8.593 ( 0.134 0.425 0.948) 1.047 8.702 ( -4.892 -0.036 0.872) 4.969 8.900 ( -1.885 0.117 -5.230) 5.560 9.106 ( -4.780 1.541 -2.373) 5.555 9.127 ( -0.549 1.302 0.888) 1.669 9.197 ( -1.494 -0.718 1.022) 1.947 9.290 ( 1.696 1.186 -1.907) 2.814 9.574 ( -6.985 -0.068 2.268) 7.345 9.781 ( -6.183 -7.912 -1.106) 10.102 9.871 ( -10.519 -3.496 -4.683) 12.033 10.102 ( -14.078 -0.640 -3.154) 14.441 10.740 ( -5.612 -4.495 14.528) 16.210 11.038 ( 3.783 -5.998 0.098) 7.092 11.211 ( 2.101 2.667 -1.288) 3.631 11.524 ( -13.245 -4.727 -4.808) 14.862 16.408 ( 0.521 -0.255 -0.259) 0.635 16.419 ( -0.584 -0.192 0.984) 1.161 16.508 ( -1.233 -1.406 0.708) 2.000 16.519 ( -1.531 -2.331 -1.519) 3.176 18.201 ( 0.741 3.152 -1.798) 3.704 18.232 ( -1.188 5.340 1.707) 5.731 18.506 ( 1.751 -2.253 1.028) 3.033 18.560 ( 1.322 -0.132 -0.709) 1.506 21.545 ( 1.583 0.920 -0.208) 1.843 21.639 ( 1.409 0.054 -0.322) 1.446 21.694 ( 0.701 -0.437 -2.064) 2.223 21.878 ( -4.282 -3.092 2.214) 5.727 27.221 ( -0.297 0.262 -0.351) 0.530 27.277 ( -0.975 0.193 0.104) 0.999 27.379 ( 0.414 -1.650 0.030) 1.701 27.396 ( 0.478 -0.841 0.251) 1.000 36.000 ( 7.737 1.244 -6.458) 10.154 36.103 ( 2.446 0.207 2.865) 3.773 36.625 ( 3.633 -0.999 8.506) 9.303 37.082 ( 0.882 -13.721 -3.709) 14.240 37.792 ( -0.273 13.123 -0.064) 13.126 37.875 ( -4.661 16.856 0.839) 17.509 38.772 ( -18.038 -4.496 -1.084) 18.621 38.805 ( -18.526 -3.512 0.731) 18.871 ======================= Grid point 109 (47/108) ======================= q-point: ( 0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 15.675 -2.571 -1.317) 15.939 2.883 ( 18.929 0.512 1.519) 18.997 3.253 ( 9.547 1.149 0.826) 9.651 3.318 ( 12.698 0.956 -0.119) 12.734 3.441 ( -1.063 -3.537 -6.880) 7.808 3.530 ( 7.245 -2.510 2.614) 8.100 3.740 ( 3.409 -9.376 1.437) 10.080 3.790 ( 5.108 -0.921 -8.290) 9.781 3.875 ( 1.695 -4.148 3.215) 5.515 3.940 ( 0.831 1.287 3.886) 4.177 4.101 ( 7.608 4.993 3.724) 9.833 4.160 ( 3.600 1.741 -0.151) 4.002 4.293 ( 5.322 6.435 0.988) 8.409 4.336 ( 7.304 6.627 0.747) 9.890 4.574 ( 4.088 -4.484 -2.322) 6.497 4.703 ( -1.090 0.420 -3.822) 3.996 4.847 ( 0.840 1.565 -0.505) 1.846 4.949 ( 4.503 -2.897 2.145) 5.768 5.010 ( 7.466 -6.836 2.096) 10.337 5.075 ( 5.296 -1.539 8.091) 9.792 5.228 ( 4.308 1.464 -1.252) 4.719 5.280 ( -3.145 -2.299 -5.612) 6.832 5.331 ( -3.312 4.781 4.820) 7.554 5.461 ( -5.481 4.226 -4.115) 8.053 5.627 ( -0.891 4.811 2.057) 5.308 5.724 ( -11.118 7.750 -10.575) 17.190 5.975 ( -2.419 0.120 -1.765) 2.997 6.022 ( -1.776 1.836 4.709) 5.357 6.231 ( -0.859 9.196 -0.277) 9.240 6.385 ( -5.677 -2.511 3.143) 6.958 6.408 ( -2.462 5.219 -0.294) 5.778 6.652 ( -0.567 2.344 2.877) 3.754 6.933 ( -0.288 -1.185 -1.551) 1.973 6.943 ( 0.747 -1.210 1.571) 2.119 7.051 ( -7.588 9.637 7.892) 14.585 7.140 ( -0.609 3.028 1.663) 3.508 7.308 ( 7.655 -3.604 0.685) 8.489 7.430 ( -1.833 -2.777 6.112) 6.959 7.518 ( 4.406 2.150 -2.250) 5.394 7.717 ( -2.659 -0.563 -0.269) 2.731 7.756 ( 5.798 3.586 -8.530) 10.919 7.906 ( 8.004 0.126 -6.995) 10.631 8.402 ( 2.152 -0.783 -1.463) 2.717 8.452 ( 7.912 -1.732 7.802) 11.246 8.470 ( -4.209 0.720 -4.705) 6.354 8.608 ( -2.743 -3.188 -1.645) 4.516 8.665 ( 2.038 0.264 4.597) 5.035 8.877 ( 0.410 -3.724 -5.951) 7.032 9.054 ( 1.498 4.183 -0.607) 4.485 9.152 ( 2.114 1.447 -2.019) 3.261 9.200 ( 4.157 -1.917 -1.462) 4.805 9.365 ( 5.072 0.011 0.677) 5.117 9.450 ( -6.083 -0.993 2.583) 6.683 9.638 ( -9.835 -5.510 1.671) 11.397 9.683 ( -5.364 -4.589 -7.098) 10.010 9.825 ( -11.369 -0.724 0.443) 11.400 10.642 ( -9.168 -2.542 13.447) 16.472 11.102 ( 2.214 -6.660 0.713) 7.055 11.176 ( -8.855 -1.096 -4.672) 10.072 11.296 ( -3.352 -0.697 -1.996) 3.963 16.403 ( -0.795 -0.110 0.768) 1.111 16.419 ( 0.379 -0.092 -0.471) 0.611 16.488 ( -0.929 -0.867 0.430) 1.341 16.493 ( -0.759 -1.305 -0.814) 1.715 18.205 ( -0.368 3.824 0.500) 3.875 18.220 ( 0.130 4.199 -0.717) 4.262 18.537 ( 0.853 -2.036 1.336) 2.581 18.581 ( 1.148 -1.244 -1.042) 1.988 21.570 ( 0.949 0.818 0.405) 1.316 21.656 ( 0.611 0.030 -0.657) 0.898 21.697 ( 0.312 -0.465 -1.063) 1.201 21.808 ( -3.409 -1.732 1.200) 4.007 27.218 ( 0.094 0.639 -0.260) 0.696 27.256 ( -1.087 0.742 -0.024) 1.317 27.385 ( -0.058 -1.706 1.008) 1.982 27.407 ( 0.741 -1.197 -0.811) 1.625 36.113 ( 5.751 0.792 -4.473) 7.329 36.159 ( 1.942 0.547 2.151) 2.950 36.706 ( 1.374 -0.260 8.083) 8.203 37.079 ( 0.571 -8.435 -4.843) 9.744 37.825 ( 3.561 7.822 0.016) 8.594 37.841 ( 1.248 9.595 0.103) 9.677 38.436 ( -15.271 -2.834 -1.193) 15.577 38.463 ( -16.171 -2.612 0.761) 16.398 ======================= Grid point 110 (48/108) ======================= q-point: ( 0.46 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 8.809 -6.288 1.078) 10.877 3.207 ( 11.051 -1.008 4.391) 11.934 3.320 ( 0.196 -3.279 -3.229) 4.606 3.336 ( -3.257 -2.686 -2.699) 5.011 3.525 ( 4.498 -1.962 -1.829) 5.237 3.669 ( 6.453 -2.621 3.634) 7.856 3.794 ( 1.224 -5.723 0.323) 5.861 3.853 ( 0.548 -1.308 -0.066) 1.420 3.921 ( 3.829 1.867 1.299) 4.454 3.953 ( -1.513 6.062 5.578) 8.376 4.168 ( 1.001 5.091 -4.380) 6.790 4.285 ( 6.322 9.184 1.543) 11.256 4.337 ( -1.562 2.298 -0.484) 2.820 4.488 ( 2.963 5.347 3.858) 7.229 4.581 ( -1.881 0.236 -10.063) 10.240 4.649 ( -1.286 0.805 -2.434) 2.868 4.795 ( -3.722 0.740 1.521) 4.088 4.958 ( -1.548 -3.412 0.190) 3.751 5.049 ( -3.418 -7.930 -3.539) 9.332 5.118 ( 3.099 -4.125 1.843) 5.479 5.215 ( 0.094 3.787 -4.711) 6.045 5.282 ( -5.546 2.249 0.143) 5.987 5.328 ( -3.369 7.861 -1.629) 8.706 5.449 ( 6.870 6.104 7.249) 11.705 5.545 ( 0.388 6.930 -10.016) 12.186 5.676 ( 3.942 -2.645 4.095) 6.269 5.943 ( -0.704 3.590 -0.744) 3.733 6.030 ( 0.953 -4.338 1.624) 4.729 6.228 ( -0.028 10.336 5.337) 11.632 6.259 ( -5.933 -2.173 2.739) 6.887 6.410 ( 1.379 7.098 1.546) 7.394 6.623 ( -2.020 5.001 -1.763) 5.674 6.866 ( -8.305 6.140 7.328) 12.664 6.933 ( 0.092 -1.341 0.174) 1.355 6.980 ( 0.540 -3.711 2.015) 4.258 7.160 ( -0.434 2.954 5.244) 6.034 7.404 ( -0.832 -4.932 5.555) 7.475 7.447 ( 2.669 -4.412 4.222) 6.665 7.586 ( 2.745 2.336 -0.216) 3.611 7.722 ( 2.473 0.500 2.553) 3.590 7.826 ( 4.053 7.191 -2.503) 8.625 8.077 ( 11.001 -2.170 -17.282) 20.601 8.355 ( -3.681 0.285 -10.058) 10.714 8.385 ( -3.019 -0.065 -5.639) 6.397 8.528 ( -1.351 -5.465 3.458) 6.607 8.586 ( -0.239 -0.651 1.079) 1.283 8.737 ( 3.472 -0.115 0.288) 3.486 8.813 ( -2.857 -2.813 -4.672) 6.156 9.106 ( 1.376 2.865 0.556) 3.226 9.190 ( 1.232 2.693 -2.477) 3.861 9.305 ( -2.427 -3.996 3.260) 5.699 9.352 ( 4.230 -6.616 -3.185) 8.474 9.437 ( -2.626 -4.570 -0.774) 5.327 9.495 ( -3.616 -3.639 -3.229) 6.062 9.613 ( 3.649 1.836 6.156) 7.388 9.720 ( -2.213 -4.734 3.742) 6.427 10.516 ( -6.641 1.760 11.293) 13.218 10.953 ( -6.502 1.751 -5.927) 8.971 11.146 ( 0.958 -6.999 1.923) 7.321 11.282 ( 0.186 -1.560 -2.177) 2.685 16.393 ( -0.468 0.152 0.701) 0.856 16.424 ( 0.264 -0.160 -0.630) 0.702 16.476 ( -0.471 -0.583 0.208) 0.778 16.482 ( -0.127 -0.830 -0.336) 0.905 18.193 ( -0.921 4.291 1.091) 4.522 18.230 ( 0.980 3.449 -1.374) 3.840 18.548 ( -0.243 -1.686 1.367) 2.184 18.597 ( 0.807 -2.093 -1.061) 2.481 21.587 ( 0.548 0.771 0.870) 1.285 21.660 ( 0.133 0.211 -1.186) 1.212 21.704 ( 0.751 -0.787 0.027) 1.088 21.755 ( -2.201 -1.067 0.261) 2.460 27.220 ( 0.032 0.727 0.107) 0.736 27.239 ( -0.378 1.191 -0.389) 1.309 27.384 ( -0.451 -1.687 1.026) 2.025 27.418 ( 0.654 -1.412 -0.881) 1.788 36.178 ( 0.277 0.436 0.584) 0.780 36.201 ( 3.472 0.649 -2.374) 4.256 36.739 ( -1.059 0.304 7.777) 7.855 37.072 ( 0.590 -5.202 -5.197) 7.377 37.912 ( 4.240 3.579 0.817) 5.609 37.927 ( 6.667 4.350 -0.894) 8.010 38.182 ( -9.990 -0.759 -0.290) 10.023 38.189 ( -9.951 -0.496 -0.130) 9.964 ======================= Grid point 111 (49/108) ======================= q-point: (-0.46 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -2.407 -2.918 3.879) 5.418 3.236 ( -2.709 -4.884 -6.703) 8.725 3.268 ( -2.921 -3.909 1.327) 5.057 3.390 ( 1.072 -0.600 2.431) 2.724 3.561 ( -0.271 -1.925 0.178) 1.952 3.723 ( -12.181 0.639 0.041) 12.198 3.778 ( -0.201 -3.677 0.145) 3.686 3.849 ( 0.412 -6.269 1.587) 6.480 3.868 ( -2.136 4.847 0.757) 5.351 4.029 ( 4.954 -0.035 7.563) 9.041 4.119 ( -4.507 5.501 -2.380) 7.499 4.246 ( -4.625 3.168 -4.830) 7.399 4.344 ( -8.768 7.913 2.195) 12.013 4.402 ( -0.629 7.355 -1.264) 7.489 4.526 ( -3.056 -0.285 -8.838) 9.356 4.631 ( 1.521 -0.904 0.677) 1.895 4.813 ( 2.949 0.228 1.461) 3.299 4.919 ( -3.393 -0.328 -0.601) 3.461 5.005 ( -0.696 -5.563 -1.553) 5.817 5.098 ( -6.206 -3.119 1.096) 7.031 5.163 ( -3.897 5.410 -5.261) 8.493 5.213 ( 1.273 -1.845 -0.535) 2.305 5.269 ( 0.433 1.813 2.592) 3.193 5.578 ( 3.516 2.866 6.071) 7.578 5.648 ( 5.504 11.520 -5.107) 13.751 5.715 ( 1.484 1.958 -4.046) 4.734 5.936 ( -0.108 0.460 -0.600) 0.764 6.100 ( 6.251 0.689 0.502) 6.308 6.195 ( -0.947 0.946 3.722) 3.955 6.291 ( 4.447 6.552 6.546) 10.274 6.480 ( 3.893 6.740 3.213) 8.421 6.580 ( 0.123 8.369 -6.536) 10.620 6.764 ( -4.990 1.450 7.744) 9.326 6.948 ( 1.403 -1.243 0.819) 2.045 7.024 ( 2.364 -2.504 4.987) 6.060 7.172 ( 0.590 0.779 2.555) 2.735 7.407 ( -0.995 -4.879 3.768) 6.244 7.453 ( -2.806 -3.478 4.882) 6.618 7.629 ( 1.467 2.300 1.026) 2.915 7.802 ( 3.148 2.258 5.525) 6.747 7.902 ( 2.694 2.902 4.314) 5.856 8.117 ( -5.561 -1.436 -14.393) 15.497 8.222 ( -5.793 1.268 -11.667) 13.088 8.253 ( -1.299 -3.920 -18.170) 18.633 8.528 ( 0.279 -0.866 2.964) 3.100 8.575 ( -0.928 -0.331 0.733) 1.228 8.660 ( -4.614 1.459 2.796) 5.589 8.912 ( 6.462 -5.298 -4.880) 9.676 9.098 ( -1.447 3.361 0.381) 3.679 9.169 ( 0.576 -0.358 -1.021) 1.226 9.253 ( -5.086 -4.500 1.131) 6.885 9.346 ( -1.010 -1.303 0.367) 1.689 9.441 ( 2.394 -4.271 -3.331) 5.922 9.505 ( 3.163 -2.973 1.695) 4.660 9.648 ( -3.747 -6.683 3.480) 8.415 9.744 ( 2.982 -0.160 2.703) 4.028 10.540 ( 5.493 3.594 11.493) 13.236 10.951 ( 8.461 0.208 -6.247) 10.520 11.158 ( -0.525 -5.970 2.421) 6.464 11.267 ( -0.866 -2.308 -2.688) 3.647 16.390 ( -0.079 0.212 0.604) 0.645 16.426 ( 0.235 -0.272 -0.530) 0.640 16.471 ( -0.117 -0.506 0.044) 0.521 16.486 ( 0.612 -0.826 -0.175) 1.042 18.180 ( -0.670 4.333 0.571) 4.422 18.246 ( 1.069 3.320 -0.868) 3.594 18.538 ( -1.155 -1.277 1.112) 2.050 18.603 ( 0.136 -2.419 -0.792) 2.549 21.599 ( 0.274 0.747 1.266) 1.495 21.655 ( -0.022 0.311 -1.689) 1.717 21.719 ( -0.770 -1.107 -0.241) 1.370 21.732 ( 1.184 -0.809 0.636) 1.568 27.218 ( -0.137 0.463 0.071) 0.488 27.241 ( 0.582 1.559 -0.359) 1.702 27.375 ( -0.760 -1.730 0.738) 2.029 27.426 ( 0.357 -1.447 -0.586) 1.601 36.152 ( -2.694 1.049 -0.225) 2.900 36.253 ( 2.293 -0.266 -1.905) 2.993 36.725 ( -3.158 0.148 8.269) 8.853 37.062 ( 0.334 -4.603 -5.349) 7.065 37.889 ( -5.442 3.866 0.109) 6.676 37.951 ( -6.246 3.789 -0.165) 7.308 38.155 ( 10.706 -0.582 -0.260) 10.725 38.214 ( 10.077 -0.558 -0.180) 10.094 ======================= Grid point 112 (50/108) ======================= q-point: (-0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -8.501 0.716 -0.197) 8.533 3.105 ( -17.635 -0.193 3.377) 17.957 3.126 ( -11.546 -4.840 -4.101) 13.174 3.256 ( -11.715 -1.070 0.594) 11.779 3.391 ( -6.769 0.920 -1.495) 6.993 3.570 ( -6.355 2.036 -1.082) 6.761 3.703 ( -6.475 -2.425 -2.495) 7.351 3.827 ( -2.760 -3.217 -3.681) 5.614 3.878 ( -0.075 -6.391 3.101) 7.104 4.001 ( -5.755 -1.193 0.971) 5.957 4.072 ( -13.104 -0.075 2.600) 13.360 4.121 ( -3.688 2.553 -1.093) 4.617 4.221 ( 3.011 2.326 9.325) 10.072 4.384 ( -2.498 14.460 -1.202) 14.723 4.432 ( -2.540 -0.890 -7.012) 7.511 4.676 ( -0.271 -4.732 4.028) 6.220 4.790 ( -9.372 -1.331 2.043) 9.684 4.846 ( -0.561 -3.016 -4.270) 5.258 4.951 ( -5.419 0.720 2.545) 6.030 5.014 ( 0.500 -6.790 -1.398) 6.951 5.134 ( 2.979 1.547 -2.642) 4.271 5.248 ( 1.101 -1.795 0.908) 2.293 5.319 ( 0.970 0.053 4.254) 4.364 5.494 ( -6.885 4.589 -1.789) 8.465 5.709 ( 0.629 3.601 2.001) 4.167 5.804 ( 7.220 7.807 -2.938) 11.033 5.979 ( 4.859 -2.576 -6.559) 8.559 6.190 ( 0.029 12.449 5.387) 13.565 6.247 ( 4.648 0.397 -0.968) 4.764 6.447 ( 7.446 4.181 3.233) 9.131 6.498 ( -0.383 7.989 -4.766) 9.310 6.639 ( 5.469 10.913 -1.290) 12.275 6.735 ( 0.416 1.651 6.134) 6.366 6.993 ( 2.340 0.319 2.216) 3.238 7.089 ( 1.722 -2.894 5.189) 6.186 7.197 ( 1.004 -1.893 -0.599) 2.225 7.329 ( -6.320 -3.911 1.154) 7.521 7.492 ( 4.016 -2.166 6.645) 8.061 7.653 ( 0.219 1.666 2.625) 3.117 7.735 ( -16.854 -0.935 -15.497) 22.915 7.871 ( 1.779 2.248 3.941) 4.874 8.010 ( -0.521 -0.278 10.036) 10.054 8.046 ( -5.332 2.562 -8.437) 10.304 8.250 ( 2.864 -3.807 -11.783) 12.710 8.521 ( -4.840 0.057 4.378) 6.526 8.537 ( -0.943 2.037 -1.146) 2.520 8.666 ( 3.275 -0.128 2.657) 4.219 8.887 ( -2.805 -2.722 -5.252) 6.547 9.085 ( -2.450 0.308 -0.034) 2.470 9.166 ( -3.573 0.882 -1.616) 4.019 9.210 ( 4.346 -2.362 -2.867) 5.718 9.344 ( -0.351 -0.075 0.450) 0.576 9.491 ( 1.252 -6.687 2.995) 7.434 9.554 ( 6.815 -0.025 -1.943) 7.086 9.691 ( 6.659 -5.152 0.209) 8.422 9.819 ( 5.458 0.819 -0.306) 5.527 10.766 ( 10.782 0.651 13.161) 17.026 11.131 ( 1.229 -4.965 0.244) 5.121 11.184 ( 10.722 -4.168 -4.228) 12.256 11.229 ( -1.314 -2.228 -3.469) 4.327 16.393 ( 0.074 0.114 0.376) 0.400 16.430 ( 0.328 -0.575 0.020) 0.663 16.470 ( 0.018 -0.581 -0.253) 0.635 16.505 ( 1.435 -1.230 -0.230) 1.904 18.171 ( -0.344 4.453 0.021) 4.466 18.265 ( 1.110 3.250 -0.277) 3.446 18.512 ( -1.907 -0.601 0.861) 2.177 18.596 ( -0.624 -2.345 -0.528) 2.483 21.605 ( -0.238 0.614 1.389) 1.537 21.646 ( -0.352 0.539 -1.568) 1.695 21.701 ( -0.349 -1.007 -2.081) 2.338 21.774 ( 2.171 -1.416 2.145) 3.364 27.219 ( 0.329 0.068 -0.258) 0.423 27.255 ( 0.856 1.686 -0.048) 1.892 27.360 ( -0.973 -1.790 0.448) 2.085 27.427 ( -0.068 -1.394 -0.228) 1.414 36.077 ( -4.330 1.602 -1.461) 4.842 36.273 ( 0.420 -1.188 -2.216) 2.549 36.685 ( -4.193 -1.490 10.558) 11.457 37.039 ( -0.709 -5.909 -5.967) 8.428 37.804 ( -2.360 8.844 0.004) 9.153 37.851 ( -3.139 7.902 0.111) 8.503 38.427 ( 16.051 -2.669 -0.711) 16.287 38.477 ( 15.732 -2.583 0.286) 15.945 ======================= Grid point 113 (51/108) ======================= q-point: (-0.31 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -30.277 5.114 0.717) 30.714 2.704 ( -25.171 -1.150 4.341) 25.569 2.821 ( -10.377 1.211 -7.772) 13.021 3.157 ( -5.061 -4.902 3.059) 7.681 3.236 ( -10.672 3.217 -0.773) 11.173 3.405 ( -6.670 2.258 -1.922) 7.300 3.489 ( -11.273 -1.694 -5.760) 12.773 3.711 ( -15.871 7.761 -1.558) 17.736 3.757 ( -5.508 -7.890 -2.013) 9.830 3.850 ( -10.827 -9.472 2.272) 14.564 3.937 ( -3.746 0.707 1.908) 4.263 4.028 ( -4.639 -0.402 3.500) 5.825 4.247 ( -4.485 3.703 0.124) 5.817 4.329 ( -4.510 -2.392 -7.061) 8.713 4.383 ( -0.660 4.408 8.736) 9.807 4.563 ( -10.047 1.567 3.320) 10.696 4.628 ( -7.061 1.450 1.942) 7.465 4.789 ( -2.892 -12.522 1.038) 12.893 4.898 ( -2.550 -0.107 1.010) 2.744 5.022 ( -3.377 -3.435 3.006) 5.678 5.162 ( -7.127 -3.915 -5.972) 10.089 5.205 ( 3.755 -1.820 -4.269) 5.970 5.344 ( 4.398 6.968 5.009) 9.643 5.525 ( 7.723 -3.825 4.866) 9.897 5.743 ( 2.811 1.557 -0.024) 3.213 5.874 ( -3.121 5.891 2.179) 7.014 6.012 ( 1.388 -0.720 -9.375) 9.505 6.179 ( -1.395 13.641 2.777) 13.990 6.292 ( -0.121 2.323 -0.768) 2.450 6.445 ( -1.305 13.746 -9.132) 16.554 6.550 ( 0.674 0.737 3.224) 3.375 6.692 ( -1.974 11.985 -3.631) 12.677 6.858 ( 9.417 -3.106 3.956) 10.676 7.026 ( -0.929 0.868 1.724) 2.142 7.141 ( 2.235 -1.906 4.045) 4.999 7.171 ( -3.007 -2.673 -1.176) 4.192 7.240 ( -2.348 -1.270 -1.646) 3.136 7.335 ( -11.895 -0.221 -9.307) 15.105 7.606 ( -3.983 0.495 4.313) 5.891 7.718 ( 8.424 1.034 4.361) 9.542 7.846 ( -2.771 -1.484 0.046) 3.144 7.972 ( 2.114 3.245 2.651) 4.693 8.091 ( -0.265 -5.052 9.612) 10.862 8.244 ( 2.653 -3.868 -6.445) 7.971 8.455 ( 0.663 2.558 0.064) 2.643 8.549 ( 2.390 3.212 -2.920) 4.955 8.740 ( 2.578 1.064 0.727) 2.882 8.887 ( 4.262 -0.415 -3.649) 5.626 9.051 ( 0.166 0.712 -1.112) 1.331 9.107 ( -1.158 3.645 -0.684) 3.885 9.274 ( 1.948 -3.054 0.292) 3.634 9.310 ( -0.596 -1.374 -1.620) 2.206 9.605 ( 7.536 -5.755 2.105) 9.713 9.708 ( 9.396 -0.839 -5.019) 10.685 9.844 ( 8.191 -3.187 0.948) 8.840 9.983 ( 10.893 2.140 0.342) 11.107 10.986 ( 4.077 -0.775 9.611) 10.469 11.122 ( 0.024 -3.108 3.812) 4.918 11.172 ( -1.737 -0.921 1.338) 2.378 11.422 ( 12.731 -8.857 -10.359) 18.650 16.394 ( -0.077 -0.045 0.052) 0.104 16.438 ( -0.028 -1.189 1.420) 1.853 16.471 ( 0.507 -0.790 -1.069) 1.423 16.539 ( 2.051 -1.982 -0.483) 2.893 18.167 ( 0.001 4.593 -0.499) 4.620 18.288 ( 1.149 3.201 0.359) 3.419 18.471 ( -2.490 0.404 0.715) 2.622 18.576 ( -1.266 -1.956 -0.346) 2.355 21.596 ( -1.155 0.200 0.741) 1.387 21.628 ( -1.060 1.112 -0.574) 1.639 21.686 ( -0.222 -1.328 -4.067) 4.284 21.828 ( 2.026 -2.181 3.523) 4.612 27.229 ( 0.725 -0.414 -0.413) 0.931 27.273 ( 1.011 1.689 0.112) 1.972 27.341 ( -1.056 -1.805 0.194) 2.100 27.421 ( -0.538 -1.280 0.145) 1.396 35.982 ( -4.185 1.918 -2.849) 5.414 36.249 ( -1.698 -1.666 -3.599) 4.314 36.650 ( -3.960 -6.137 14.875) 16.571 36.986 ( -2.285 -8.003 -7.208) 11.010 37.806 ( 2.142 14.647 -0.547) 14.813 37.835 ( 1.905 15.134 1.284) 15.308 38.765 ( 18.165 -4.344 -0.638) 18.688 38.820 ( 18.714 -3.396 0.309) 19.022 ======================= Grid point 114 (52/108) ======================= q-point: (-0.23 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -30.477 8.244 2.694) 31.687 2.159 ( -31.513 0.273 11.345) 33.494 2.585 ( -11.267 1.205 -10.138) 15.205 2.874 ( -16.610 11.921 -10.565) 23.014 3.147 ( -3.126 -5.712 3.749) 7.513 3.178 ( -17.801 -0.809 -3.342) 18.130 3.313 ( -18.714 9.930 6.834) 22.260 3.365 ( -5.168 6.261 4.179) 9.130 3.588 ( -10.663 -5.764 0.584) 12.136 3.648 ( -7.276 -7.811 -4.044) 11.415 3.847 ( -5.427 -3.129 0.574) 6.291 3.935 ( -7.748 -1.565 -0.971) 7.964 4.046 ( -11.192 -3.769 -6.883) 13.669 4.228 ( -5.357 0.595 -1.597) 5.621 4.349 ( -4.824 0.981 5.043) 7.047 4.423 ( -5.841 2.396 1.998) 6.622 4.525 ( -4.295 4.473 3.117) 6.941 4.707 ( -8.655 -15.699 3.454) 18.257 4.820 ( -7.123 2.771 -0.221) 7.646 4.865 ( -6.088 1.702 1.271) 6.448 5.097 ( 0.217 -7.578 0.333) 7.588 5.250 ( 2.699 -1.542 -9.176) 9.689 5.460 ( 2.702 7.524 1.084) 8.068 5.664 ( -12.555 10.154 -1.447) 16.212 5.743 ( 6.767 -5.863 8.636) 12.439 5.806 ( 3.401 0.089 0.954) 3.533 5.936 ( -6.166 -0.735 -3.436) 7.097 6.159 ( -5.073 6.071 -1.907) 8.138 6.245 ( -2.065 4.674 -2.016) 5.493 6.377 ( -2.819 12.434 -4.606) 13.556 6.518 ( -8.293 3.627 0.400) 9.060 6.572 ( -1.540 4.537 3.260) 5.795 6.940 ( -4.024 1.419 -1.895) 4.669 7.049 ( 1.477 -2.481 -4.128) 5.038 7.106 ( -0.519 -2.206 0.376) 2.297 7.162 ( 2.333 -7.751 -0.848) 8.139 7.186 ( 1.286 0.244 0.209) 1.325 7.306 ( 3.985 -2.559 1.071) 4.855 7.507 ( -4.801 0.347 6.543) 8.123 7.828 ( 4.045 0.152 -3.467) 5.330 7.964 ( 10.184 -4.280 3.430) 11.567 8.019 ( 1.098 1.787 2.016) 2.910 8.115 ( 2.156 -7.624 -0.082) 7.923 8.345 ( 5.948 -2.015 1.690) 6.503 8.540 ( 7.267 3.482 -1.153) 8.140 8.611 ( 5.288 3.524 -4.184) 7.608 8.773 ( 0.911 0.235 0.210) 0.964 8.974 ( 5.261 3.195 -1.350) 6.302 9.082 ( 1.087 -0.958 0.065) 1.450 9.141 ( 5.663 2.156 2.535) 6.568 9.242 ( -2.044 -1.445 -2.290) 3.393 9.405 ( 8.252 -1.811 -0.067) 8.449 9.761 ( 6.962 -3.631 3.178) 8.471 9.889 ( 11.003 2.124 -4.967) 12.257 10.009 ( 7.657 -1.745 1.304) 7.961 10.223 ( 12.679 4.229 -0.044) 13.366 10.956 ( -5.642 -0.375 -0.619) 5.688 11.086 ( -3.331 1.522 1.072) 3.816 11.273 ( 4.055 -2.912 15.722) 16.496 11.593 ( 9.314 -10.221 -14.682) 20.168 16.389 ( -0.354 -0.219 -0.243) 0.482 16.430 ( -1.375 -1.479 1.807) 2.710 16.492 ( 1.967 -1.781 -0.593) 2.719 16.578 ( 2.047 -2.850 -0.917) 3.627 18.168 ( 0.370 4.661 -0.920) 4.765 18.313 ( 1.163 3.094 1.112) 3.487 18.421 ( -2.777 1.661 0.619) 3.295 18.545 ( -1.642 -1.291 -0.235) 2.102 21.565 ( -2.057 -0.254 -0.352) 2.102 21.599 ( -1.866 1.645 0.117) 2.490 21.653 ( -1.475 -1.865 -5.800) 6.268 21.871 ( 0.484 -3.218 5.055) 6.012 27.244 ( 1.014 -0.771 -0.469) 1.357 27.294 ( 0.863 1.566 0.436) 1.840 27.321 ( -0.810 -1.691 -0.276) 1.895 27.408 ( -0.929 -1.064 0.553) 1.517 35.910 ( -1.057 1.412 -4.689) 5.010 36.187 ( -2.811 -1.641 -4.038) 5.187 36.636 ( -4.295 -15.027 19.176) 24.738 36.892 ( -4.312 -9.800 -8.803) 13.861 37.851 ( 3.101 18.156 -1.689) 18.496 37.980 ( 11.895 28.670 4.374) 31.346 39.124 ( 17.986 -5.418 -0.129) 18.785 39.202 ( 19.476 -2.431 -0.083) 19.627 ======================= Grid point 115 (53/108) ======================= q-point: (-0.15 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -26.776 10.779 6.226) 29.528 1.595 ( -29.924 6.743 19.915) 36.572 2.277 ( -16.539 3.898 -9.367) 19.402 2.488 ( -22.011 21.734 0.711) 30.941 2.712 ( -19.532 23.269 -9.597) 31.860 3.070 ( -7.703 -7.658 3.783) 11.502 3.120 ( -2.155 -3.304 4.549) 6.021 3.288 ( -7.141 6.675 6.869) 11.947 3.392 ( -8.537 -8.872 -3.160) 12.711 3.552 ( -1.034 -5.316 -1.866) 5.728 3.707 ( -11.134 -2.496 -7.039) 13.407 3.737 ( -6.352 -9.237 1.533) 11.315 3.830 ( -8.073 -5.799 -6.874) 12.085 4.109 ( -6.617 -0.857 0.597) 6.699 4.264 ( -3.864 7.108 -2.341) 8.422 4.328 ( -4.944 -1.940 2.632) 5.927 4.439 ( -7.150 1.961 -6.267) 9.708 4.487 ( -9.467 -1.427 5.945) 11.269 4.687 ( -6.466 1.407 2.638) 7.123 4.799 ( -3.157 5.022 0.863) 5.994 5.114 ( -4.473 1.571 0.450) 4.762 5.186 ( -5.485 5.571 -5.958) 9.830 5.296 ( -8.493 1.234 -5.070) 9.967 5.519 ( -6.266 -2.247 -2.533) 7.122 5.730 ( -4.812 10.190 1.416) 11.358 5.800 ( -7.597 6.517 1.700) 10.153 5.945 ( 2.280 -5.914 1.098) 6.432 6.041 ( -0.960 -5.344 -2.396) 5.934 6.189 ( -0.325 1.085 1.316) 1.736 6.322 ( -1.569 2.578 0.940) 3.161 6.390 ( -4.025 -2.259 1.430) 4.832 6.629 ( 2.963 6.334 8.755) 11.205 6.854 ( -2.471 6.034 -1.279) 6.645 7.031 ( 1.220 -3.870 -3.852) 5.595 7.122 ( 0.467 -6.782 1.752) 7.020 7.212 ( 1.445 1.116 -0.439) 1.878 7.263 ( 3.972 -7.855 -1.918) 9.008 7.383 ( 4.196 -7.356 -0.674) 8.495 7.517 ( 2.018 -4.719 6.804) 8.522 7.893 ( 3.713 0.476 -5.212) 6.417 8.034 ( 0.748 -2.390 -0.883) 2.655 8.135 ( -0.359 -6.968 0.841) 7.028 8.152 ( 6.618 -10.825 -1.745) 12.807 8.442 ( 3.381 -1.055 -0.582) 3.589 8.658 ( 1.647 1.299 1.160) 2.397 8.730 ( 8.490 1.199 -8.645) 12.176 8.791 ( 1.938 -2.589 2.813) 4.286 9.078 ( 2.744 3.836 2.687) 5.428 9.157 ( 10.090 6.304 0.451) 11.906 9.198 ( -0.693 -3.506 -0.473) 3.605 9.318 ( 9.720 2.880 3.931) 10.873 9.596 ( 9.891 -1.319 -0.478) 9.990 9.899 ( 5.768 0.441 4.635) 7.413 10.087 ( 9.124 6.282 -3.097) 11.502 10.145 ( 6.120 -1.166 -0.339) 6.240 10.461 ( 11.499 6.763 -2.041) 13.495 10.808 ( -8.528 -3.210 -2.084) 9.348 11.015 ( -4.852 5.018 1.868) 7.226 11.371 ( -0.849 -1.508 18.165) 18.247 11.693 ( 8.107 -5.698 -19.487) 21.862 16.380 ( -0.430 -0.435 -0.438) 0.753 16.402 ( -1.908 -1.465 1.371) 2.769 16.538 ( 2.478 -3.426 0.715) 4.288 16.609 ( 1.473 -3.391 -1.416) 3.959 18.176 ( 0.814 4.644 -1.055) 4.831 18.341 ( 0.738 2.347 2.762) 3.699 18.370 ( -2.176 3.352 -0.399) 4.016 18.511 ( -1.653 -0.435 -0.153) 1.716 21.515 ( -2.558 -0.387 -2.184) 3.386 21.552 ( -2.913 0.549 -2.242) 3.717 21.582 ( -3.419 -1.012 -2.984) 4.650 21.872 ( -2.690 -4.161 5.938) 7.733 27.264 ( 1.127 -0.844 -0.519) 1.500 27.300 ( -0.548 -0.281 0.958) 1.139 27.318 ( 0.799 0.246 -0.983) 1.290 27.390 ( -1.112 -0.679 0.965) 1.621 35.933 ( 6.160 -1.238 -6.292) 8.892 36.123 ( -2.015 -1.809 -2.711) 3.832 36.599 ( -8.085 -27.131 21.844) 35.757 36.748 ( -6.839 -10.564 -9.714) 15.898 37.917 ( 4.066 23.724 -0.844) 24.085 38.364 ( 26.181 41.594 4.317) 49.337 39.458 ( 15.391 -5.023 0.802) 16.210 39.564 ( 16.744 -0.077 -0.697) 16.759 ======================= Grid point 116 (54/108) ======================= q-point: (-0.08 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -18.380 18.344 12.449) 28.798 1.202 ( -18.041 18.822 27.362) 37.795 1.897 ( -16.527 7.975 -9.912) 20.856 2.045 ( -23.563 41.507 25.017) 53.888 2.442 ( -3.230 19.555 -23.556) 30.785 2.998 ( -2.291 -14.094 5.440) 15.280 3.106 ( -0.710 0.221 3.090) 3.178 3.159 ( -5.523 3.176 -1.831) 6.629 3.259 ( -3.483 -7.166 0.347) 7.975 3.500 ( -6.522 -2.338 -3.208) 7.635 3.537 ( -3.208 -3.295 -3.667) 5.882 3.624 ( -3.381 -11.832 2.932) 12.649 3.710 ( -0.897 -9.026 -8.591) 12.493 3.958 ( -8.578 -3.841 1.040) 9.456 4.151 ( -7.745 2.229 -11.091) 13.710 4.238 ( -2.377 7.686 5.521) 9.757 4.266 ( -5.407 0.562 -4.945) 7.348 4.418 ( -1.557 11.869 2.169) 12.165 4.587 ( -3.403 5.124 -1.485) 6.328 4.720 ( -4.456 10.847 0.573) 11.740 4.887 ( -13.616 17.191 1.096) 21.958 4.996 ( -7.930 3.337 -8.501) 12.095 5.302 ( 4.938 -10.684 1.153) 11.826 5.403 ( -3.680 -5.964 1.289) 7.125 5.603 ( -7.215 0.639 -1.505) 7.398 5.694 ( -3.906 5.077 2.611) 6.918 5.937 ( -0.865 -1.796 -11.244) 11.419 6.022 ( 2.564 1.628 -0.884) 3.163 6.308 ( 3.063 -12.036 7.410) 14.463 6.317 ( 1.943 -2.371 4.504) 5.449 6.366 ( 0.945 -3.615 5.572) 6.709 6.680 ( -1.336 4.649 7.558) 8.974 6.866 ( 2.971 5.734 2.397) 6.888 7.045 ( 0.895 -4.138 -3.804) 5.691 7.137 ( 0.367 -5.610 1.132) 5.735 7.231 ( 0.333 -0.030 0.697) 0.773 7.292 ( 0.325 -4.059 -0.889) 4.168 7.454 ( 2.874 -12.215 -4.496) 13.330 7.576 ( 0.739 -10.040 5.341) 11.396 7.922 ( 1.361 -2.156 -8.715) 9.080 8.048 ( 0.920 -5.467 0.028) 5.544 8.095 ( -3.367 -8.157 3.288) 9.417 8.205 ( -1.085 -9.127 -1.850) 9.376 8.457 ( -1.760 -4.603 -4.221) 6.488 8.613 ( -4.169 -5.526 6.238) 9.318 8.810 ( 3.298 -2.271 -7.804) 8.772 8.903 ( 6.318 -1.932 0.448) 6.622 9.131 ( -0.130 2.393 -1.582) 2.872 9.215 ( 5.826 5.071 1.498) 7.868 9.465 ( 15.572 10.089 5.028) 19.224 9.532 ( 10.980 3.317 3.406) 11.965 9.734 ( 3.630 -2.265 -0.154) 4.282 10.025 ( 4.621 1.409 1.331) 5.011 10.168 ( -0.060 5.680 1.060) 5.778 10.266 ( 7.563 0.951 -5.066) 9.153 10.585 ( -6.994 -0.731 -8.072) 10.706 10.677 ( 4.463 2.305 5.144) 7.190 10.900 ( -6.643 5.870 0.734) 8.895 11.360 ( -7.823 1.923 19.940) 21.506 11.820 ( 14.136 8.056 -22.804) 28.013 16.371 ( -0.941 -1.047 0.358) 1.453 16.373 ( -0.487 -0.493 -0.121) 0.704 16.581 ( 1.010 -5.405 1.327) 5.657 16.627 ( 1.102 -3.394 -1.733) 3.967 18.194 ( 1.323 4.738 -0.601) 4.956 18.322 ( -2.152 2.813 0.892) 3.652 18.371 ( 0.768 2.627 1.184) 2.982 18.481 ( -1.357 0.224 -0.196) 1.390 21.431 ( -3.065 0.353 -2.497) 3.969 21.492 ( -1.679 -0.913 0.713) 2.040 21.530 ( -1.784 1.144 0.239) 2.133 21.804 ( -6.058 -4.164 4.326) 8.530 27.281 ( 0.581 -0.376 -0.207) 0.722 27.297 ( 0.240 -0.446 0.087) 0.514 27.330 ( 0.681 0.321 -0.570) 0.944 27.371 ( -1.184 -0.191 0.934) 1.520 36.088 ( 1.982 -4.115 0.269) 4.576 36.137 ( 13.749 -6.559 -5.459) 16.182 36.433 ( -18.551 -36.109 22.889) 46.603 36.555 ( -9.141 -10.194 -8.398) 16.062 38.003 ( 4.401 29.643 2.194) 30.048 38.990 ( 33.313 41.514 -18.641) 56.397 39.720 ( 10.141 -1.417 0.502) 10.252 39.834 ( 10.617 2.881 -0.877) 11.036 ======================= Grid point 117 (55/108) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.907 28.367 12.806) 31.137 1.650 ( -2.112 31.196 10.235) 32.900 1.962 ( -0.687 21.298 -7.371) 22.548 2.462 ( -0.267 -18.456 3.407) 18.770 2.631 ( 2.054 -2.737 0.438) 3.450 2.781 ( 1.042 6.577 -17.993) 19.186 2.985 ( -2.031 -6.265 -2.530) 7.055 3.105 ( 2.849 10.876 5.661) 12.588 3.228 ( 0.671 1.946 2.879) 3.539 3.281 ( 0.415 0.656 -2.861) 2.964 3.433 ( 1.211 -0.616 -5.293) 5.465 3.484 ( -1.073 -2.064 -2.073) 3.116 3.620 ( 4.731 -1.595 2.078) 5.408 3.885 ( -1.780 7.473 5.109) 9.226 4.199 ( -2.805 -2.192 9.458) 10.106 4.335 ( 1.034 11.768 -5.776) 13.150 4.424 ( -1.503 20.492 -2.003) 20.645 4.633 ( 0.132 10.171 -1.461) 10.276 4.749 ( -2.587 9.978 -4.398) 11.207 4.793 ( -9.989 2.987 -5.414) 11.747 4.950 ( 3.241 13.526 3.003) 14.229 5.093 ( 6.687 4.661 1.797) 8.347 5.234 ( 3.823 -12.442 0.338) 13.021 5.285 ( -2.347 -4.612 -0.253) 5.181 5.333 ( -6.885 -7.997 0.053) 10.553 5.412 ( 3.214 -6.860 -4.249) 8.686 5.799 ( 0.392 -14.506 3.976) 15.046 6.012 ( 1.681 -19.473 0.708) 19.559 6.258 ( -1.395 -1.589 3.798) 4.347 6.320 ( 3.279 9.298 3.336) 10.408 6.376 ( 3.487 -1.448 6.922) 7.884 6.687 ( -3.223 -1.423 4.187) 5.472 6.897 ( -0.160 -3.179 -8.034) 8.642 6.979 ( -1.645 -2.227 0.007) 2.769 7.053 ( 1.900 -1.058 -1.097) 2.436 7.146 ( 1.142 -5.337 -1.267) 5.603 7.189 ( -0.308 -8.018 -1.117) 8.101 7.345 ( -2.705 -5.065 -2.943) 6.453 7.405 ( -3.300 -0.774 4.153) 5.360 7.668 ( 1.557 -11.775 -8.819) 14.794 7.940 ( -2.557 -4.540 5.112) 7.299 8.014 ( 1.413 -4.197 2.015) 4.866 8.121 ( 0.407 0.789 0.329) 0.947 8.243 ( 1.580 -4.183 -1.055) 4.594 8.612 ( -0.552 3.482 0.672) 3.589 8.774 ( 1.392 -4.023 -5.329) 6.821 8.969 ( 2.125 -0.987 2.502) 3.428 9.053 ( -1.968 -4.052 -0.533) 4.536 9.478 ( 0.440 6.224 3.070) 6.954 9.673 ( -3.018 -4.254 3.641) 6.361 9.742 ( 0.129 4.103 -3.272) 5.250 9.842 ( 5.762 0.175 -0.538) 5.790 10.135 ( 5.798 4.436 -2.768) 7.807 10.146 ( -8.556 3.210 -0.066) 9.138 10.288 ( -7.479 0.834 0.917) 7.581 10.437 ( 11.076 -3.057 -6.700) 13.301 10.908 ( -5.113 6.817 4.468) 9.622 11.028 ( -3.564 7.289 3.842) 8.977 11.409 ( -2.166 14.310 8.883) 16.982 12.028 ( 8.601 -10.277 -14.070) 19.431 16.366 ( 0.286 0.394 -0.024) 0.487 16.398 ( 1.303 2.548 -2.209) 3.615 16.488 ( -0.822 -3.909 1.227) 4.179 16.564 ( 0.594 -4.020 -2.068) 4.560 18.318 ( -3.169 2.048 0.797) 3.856 18.336 ( 1.952 5.742 -0.058) 6.064 18.375 ( -2.183 -0.622 3.294) 4.000 18.467 ( 1.055 -0.664 -0.772) 1.466 21.460 ( 2.029 -0.297 1.639) 2.625 21.490 ( 4.415 -2.219 3.587) 6.106 21.527 ( -0.692 1.381 -0.432) 1.603 21.626 ( -3.313 -3.386 -1.374) 4.933 27.289 ( 0.129 0.188 0.025) 0.229 27.301 ( 0.753 -0.393 -0.616) 1.049 27.339 ( -0.725 0.313 0.568) 0.973 27.350 ( -0.401 -0.139 -0.061) 0.428 35.823 ( -9.442 -0.291 10.017) 13.769 36.055 ( 0.513 -8.021 2.066) 8.298 36.176 ( 2.600 -5.220 -3.108) 6.609 36.257 ( 3.061 -6.695 -3.931) 8.346 38.744 ( 2.770 30.199 10.021) 31.939 39.458 ( 1.294 -2.482 -12.742) 13.046 39.846 ( -6.391 6.469 -9.118) 12.877 39.981 ( -2.078 0.800 -5.943) 6.347 ======================= Grid point 118 (56/108) ======================= q-point: ( 0.08 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 11.221 23.217 15.418) 30.044 1.694 ( 4.147 26.770 7.388) 28.078 2.033 ( 8.909 21.143 -6.708) 23.904 2.503 ( 3.818 -19.467 1.116) 19.869 2.743 ( 8.169 -6.771 1.784) 10.759 2.789 ( 6.123 7.349 -15.721) 18.402 3.010 ( 5.483 -0.046 -3.769) 6.654 3.188 ( 4.505 5.879 2.399) 7.785 3.294 ( 3.581 0.875 2.906) 4.694 3.393 ( 12.121 -1.685 -3.569) 12.747 3.434 ( 2.309 -5.615 -4.980) 7.852 3.593 ( 10.445 4.382 -0.520) 11.339 3.775 ( 9.483 -4.686 1.234) 10.649 3.874 ( -0.854 7.514 1.575) 7.724 4.162 ( -3.745 1.308 4.110) 5.712 4.308 ( -0.229 13.858 0.108) 13.860 4.452 ( 3.368 12.823 2.819) 13.554 4.510 ( -8.687 9.226 -1.863) 12.808 4.701 ( 1.423 4.392 1.056) 4.736 4.767 ( 4.968 4.171 -4.122) 7.686 5.039 ( -1.873 4.636 -1.843) 5.328 5.219 ( 7.973 3.864 -1.051) 8.922 5.256 ( 3.114 -12.773 -1.428) 13.224 5.312 ( 13.765 1.255 3.106) 14.167 5.465 ( 8.817 -10.279 3.869) 14.084 5.610 ( 15.041 5.394 -5.830) 17.009 5.837 ( 1.427 -7.433 4.595) 8.854 6.034 ( 0.927 -8.936 -3.315) 9.576 6.230 ( -0.991 -2.181 1.783) 2.986 6.403 ( 3.436 4.109 4.489) 6.988 6.474 ( 3.659 -3.773 6.128) 8.073 6.631 ( -4.488 -3.406 7.238) 9.172 6.842 ( -1.537 -2.793 -12.945) 13.332 6.947 ( -1.622 -3.208 0.320) 3.609 7.066 ( -0.702 -4.644 -1.571) 4.952 7.175 ( 1.731 -1.970 3.603) 4.456 7.186 ( 1.390 -6.952 -2.556) 7.536 7.286 ( -3.980 -9.867 0.365) 10.645 7.333 ( -2.850 4.691 -0.028) 5.489 7.668 ( 1.236 -12.115 -8.049) 14.597 7.921 ( -1.313 -2.013 3.240) 4.034 8.043 ( 0.349 -3.290 2.393) 4.083 8.158 ( 3.297 1.387 -0.966) 3.705 8.307 ( 3.738 -1.315 0.498) 3.994 8.605 ( -0.263 2.491 1.148) 2.756 8.794 ( 2.758 -6.082 -5.373) 8.571 8.987 ( -4.021 -2.313 -2.264) 5.162 9.009 ( 0.520 -3.698 4.314) 5.706 9.407 ( -7.909 4.199 3.607) 9.654 9.557 ( -9.626 -1.708 2.648) 10.129 9.593 ( -11.166 6.040 -1.728) 12.812 9.782 ( -10.397 -2.866 -0.013) 10.785 10.017 ( -2.948 6.890 -3.782) 8.394 10.208 ( 0.165 -0.985 -4.009) 4.131 10.238 ( -1.317 7.713 3.900) 8.743 10.608 ( 7.218 -4.997 -4.101) 9.690 10.822 ( -4.559 2.087 0.425) 5.032 10.897 ( -9.547 2.365 6.725) 11.915 11.383 ( -2.938 18.283 3.767) 18.897 12.014 ( -4.726 -10.652 -8.628) 14.499 16.377 ( 0.821 0.068 0.085) 0.828 16.406 ( 0.172 2.831 -1.653) 3.283 16.477 ( -0.535 -4.209 1.176) 4.402 16.555 ( -0.738 -4.135 -1.742) 4.547 18.264 ( -1.629 2.855 -0.349) 3.305 18.358 ( -0.156 -1.504 1.507) 2.135 18.378 ( 1.365 5.649 1.658) 6.044 18.495 ( 1.550 0.020 0.048) 1.551 21.496 ( 0.755 0.971 -0.352) 1.280 21.517 ( 1.669 0.916 -0.462) 1.960 21.592 ( 1.037 -1.897 -3.058) 3.745 21.665 ( 7.962 -8.492 5.212) 12.754 27.276 ( -1.142 0.025 -0.554) 1.270 27.293 ( -1.162 -0.827 -0.582) 1.541 27.333 ( 0.452 0.859 0.425) 1.060 27.360 ( 0.671 -0.557 0.859) 1.224 35.738 ( -1.195 5.652 3.959) 7.003 36.027 ( -2.713 -7.620 1.170) 8.172 36.217 ( 4.603 -0.239 1.619) 4.886 36.431 ( 10.853 -14.279 -3.056) 18.194 38.760 ( -5.788 27.477 11.321) 30.276 39.201 ( -19.686 23.579 -22.081) 37.830 39.591 ( -13.788 -5.360 6.756) 16.263 39.802 ( -13.293 -2.492 -4.636) 14.297 ======================= Grid point 119 (57/108) ======================= q-point: ( 0.15 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 10.848 21.141 6.603) 24.662 1.978 ( 21.046 17.047 16.246) 31.583 2.209 ( 11.208 14.594 -9.874) 20.883 2.639 ( 10.491 -12.021 -1.777) 16.053 2.899 ( 9.904 5.407 -6.004) 12.782 2.942 ( 10.725 -17.632 -1.413) 20.686 3.123 ( 7.086 -7.458 -10.908) 14.994 3.322 ( 8.063 13.890 1.930) 16.176 3.407 ( 7.599 -2.618 0.256) 8.041 3.513 ( 6.435 -9.737 0.189) 11.673 3.656 ( 15.071 -2.577 -6.082) 16.455 3.824 ( 11.923 6.328 -0.904) 13.528 3.878 ( 2.148 6.547 -1.579) 7.069 3.978 ( 10.036 -4.758 2.145) 11.312 4.107 ( -1.455 -1.757 0.722) 2.393 4.335 ( 1.301 8.695 3.792) 9.575 4.404 ( -2.342 6.356 11.189) 13.080 4.564 ( 7.048 12.423 -2.298) 14.467 4.766 ( 2.841 1.575 3.463) 4.748 4.862 ( 5.300 -4.335 -5.747) 8.939 5.000 ( 1.207 9.011 0.674) 9.117 5.323 ( 5.785 -7.426 -0.652) 9.436 5.435 ( 9.510 1.755 1.300) 9.758 5.559 ( 2.328 -7.557 4.918) 9.312 5.688 ( 15.045 3.117 0.360) 15.368 5.866 ( 6.448 3.683 -2.242) 7.757 5.905 ( 9.131 5.473 -1.678) 10.778 6.046 ( 4.116 3.290 1.738) 5.549 6.270 ( 4.093 -3.662 -0.627) 5.528 6.478 ( 2.378 4.509 -3.568) 6.223 6.541 ( 1.160 -9.509 -5.423) 11.008 6.585 ( -2.081 -3.204 11.870) 12.470 6.771 ( 0.324 0.841 -6.006) 6.073 6.912 ( -2.126 -3.272 0.039) 3.903 7.025 ( -2.361 -5.234 -1.009) 5.830 7.157 ( -7.501 -9.760 4.451) 13.089 7.226 ( 2.809 -3.528 -2.448) 5.132 7.236 ( 2.066 -2.140 2.918) 4.167 7.342 ( 4.163 5.744 -4.255) 8.272 7.666 ( 1.699 -9.714 -7.141) 12.175 7.902 ( -1.821 1.260 2.288) 3.184 8.036 ( -2.056 0.045 2.448) 3.197 8.198 ( 0.152 3.065 -0.535) 3.115 8.366 ( 1.496 -0.995 0.937) 2.027 8.624 ( 2.213 1.196 0.256) 2.529 8.829 ( 1.524 -4.799 -2.247) 5.514 8.862 ( -7.116 0.839 -2.665) 7.645 9.045 ( 0.788 -9.361 3.444) 10.005 9.225 ( -11.298 4.567 3.215) 12.603 9.335 ( -9.266 4.475 -1.795) 10.445 9.408 ( -9.024 -1.245 3.425) 9.732 9.539 ( -11.880 -2.110 -2.182) 12.262 9.933 ( -5.422 6.853 -3.697) 9.488 10.089 ( -11.569 10.566 8.344) 17.751 10.183 ( -4.552 -4.959 -7.583) 10.140 10.590 ( -15.051 -8.858 16.510) 24.032 10.720 ( 1.784 3.690 -9.341) 10.201 10.843 ( 1.753 -1.593 -4.734) 5.293 11.333 ( -2.912 13.937 2.515) 14.459 11.838 ( -9.495 -10.146 -3.995) 14.458 16.393 ( 0.506 0.421 -0.202) 0.689 16.405 ( 0.311 1.387 0.306) 1.454 16.475 ( -0.039 -3.971 0.241) 3.979 16.526 ( -1.459 -4.014 -1.197) 4.436 18.253 ( 0.507 3.505 -1.199) 3.739 18.370 ( 0.821 -0.785 0.288) 1.172 18.400 ( 0.147 4.639 2.544) 5.293 18.521 ( 0.980 -0.175 0.154) 1.008 21.508 ( 1.526 1.738 -1.924) 3.008 21.561 ( 2.411 0.203 -0.719) 2.524 21.630 ( 2.943 -0.275 -1.620) 3.371 21.794 ( 3.143 -9.122 4.005) 10.447 27.250 ( -1.042 -0.077 -0.836) 1.338 27.274 ( -0.441 -1.309 -0.277) 1.409 27.345 ( 0.560 0.536 0.131) 0.786 27.372 ( 0.064 -0.690 1.294) 1.468 35.792 ( 5.419 5.484 -1.222) 7.806 36.003 ( -0.001 -4.136 1.637) 4.448 36.343 ( 6.554 0.258 3.800) 7.581 36.612 ( 8.425 -15.538 -2.680) 17.878 38.586 ( -14.165 26.337 1.681) 29.952 38.747 ( -17.833 28.182 -4.135) 33.605 39.323 ( -16.365 -10.276 4.279) 19.792 39.459 ( -19.215 -6.902 -2.187) 20.534 ======================= Grid point 120 (58/108) ======================= q-point: ( 0.23 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 15.442 13.883 4.998) 21.358 2.370 ( 10.880 7.671 -8.500) 15.795 2.521 ( 25.165 13.067 11.850) 30.732 2.896 ( 15.530 -2.005 -4.176) 16.206 3.113 ( 11.571 -2.131 2.858) 12.108 3.154 ( 11.827 -16.295 -4.895) 20.721 3.199 ( 5.780 -9.072 -11.822) 15.984 3.472 ( 5.937 -2.632 -0.653) 6.527 3.595 ( 10.144 3.935 3.377) 11.392 3.644 ( 5.874 -14.219 0.446) 15.391 3.874 ( 7.392 2.721 -4.921) 9.288 3.974 ( 9.043 4.335 -3.539) 10.634 4.016 ( 8.234 6.244 -4.029) 11.091 4.166 ( 7.281 -2.528 2.104) 7.990 4.186 ( 10.210 -2.956 0.580) 10.645 4.437 ( 8.140 7.787 9.170) 14.525 4.463 ( 3.043 -0.278 12.406) 12.776 4.702 ( 7.580 6.969 -3.650) 10.925 4.815 ( 0.805 -0.870 4.945) 5.085 4.896 ( 1.414 -3.987 -4.335) 6.058 5.109 ( 7.332 9.969 -0.851) 12.404 5.415 ( 0.212 -1.601 -1.789) 2.410 5.529 ( 2.152 -2.889 6.794) 7.690 5.628 ( 2.678 -2.135 6.707) 7.531 5.744 ( -4.952 7.092 -1.178) 8.730 5.997 ( 9.626 7.464 -2.858) 12.512 6.116 ( 5.333 0.265 -2.120) 5.745 6.166 ( 1.728 -1.621 -2.284) 3.291 6.338 ( 2.663 2.735 -11.636) 12.247 6.472 ( 3.281 2.025 2.290) 4.484 6.517 ( 0.346 0.997 -1.202) 1.599 6.615 ( 0.288 -0.066 5.318) 5.326 6.825 ( 0.844 -2.276 4.187) 4.840 6.880 ( 1.650 -1.772 -4.095) 4.757 6.988 ( -0.261 -3.809 -2.720) 4.688 7.061 ( -3.060 -8.025 6.797) 10.953 7.274 ( 3.673 -1.296 -4.502) 5.953 7.303 ( 4.700 -1.381 1.361) 5.084 7.461 ( 8.960 6.695 -3.662) 11.769 7.673 ( 0.543 -4.355 -4.131) 6.027 7.868 ( -1.712 5.083 0.345) 5.375 7.975 ( -5.083 2.572 1.550) 5.904 8.173 ( -1.552 4.483 0.432) 4.764 8.373 ( -0.661 -1.591 2.165) 2.767 8.673 ( 1.811 2.434 -2.165) 3.727 8.709 ( -6.351 3.077 -1.432) 7.201 8.832 ( -3.808 -1.877 4.716) 6.345 8.941 ( -8.298 -6.027 -1.839) 10.419 9.124 ( -0.805 0.645 2.414) 2.625 9.198 ( -4.540 0.514 -2.580) 5.247 9.271 ( -6.085 -1.358 2.734) 6.807 9.350 ( -5.195 -1.640 -2.274) 5.903 9.775 ( -8.622 4.652 -2.852) 10.203 9.864 ( -12.997 5.612 6.128) 15.427 10.009 ( -9.693 -5.674 -7.327) 13.410 10.304 ( -17.688 -9.271 10.613) 22.615 10.725 ( -0.167 1.549 -0.899) 1.799 10.873 ( 2.417 -4.342 -2.921) 5.764 11.294 ( -1.816 7.816 0.750) 8.059 11.631 ( -10.179 -8.893 -2.648) 13.774 16.399 ( 0.372 0.514 -0.244) 0.680 16.415 ( 0.172 0.158 1.023) 1.050 16.474 ( -0.061 -3.155 -0.623) 3.216 16.496 ( -1.126 -2.979 -0.476) 3.220 18.265 ( 1.055 4.168 -1.413) 4.526 18.374 ( -0.849 5.161 0.938) 5.314 18.419 ( 1.254 -1.515 1.355) 2.388 18.534 ( 0.421 -1.072 0.028) 1.152 21.539 ( 1.970 1.805 -1.311) 2.976 21.602 ( 2.066 -0.644 -1.220) 2.484 21.675 ( 1.861 0.825 -0.716) 2.158 21.827 ( -0.635 -6.513 2.854) 7.140 27.233 ( -0.309 0.253 -0.771) 0.869 27.272 ( 0.129 -1.442 -0.066) 1.449 27.353 ( 0.182 -0.054 -0.269) 0.329 27.374 ( -0.275 -0.817 1.315) 1.572 35.913 ( 7.119 3.678 -3.127) 8.602 36.036 ( 2.437 -1.702 2.132) 3.658 36.488 ( 6.361 0.547 4.553) 7.842 36.744 ( 6.148 -13.605 -2.884) 15.205 38.298 ( -12.429 23.880 -3.232) 27.114 38.445 ( -14.280 21.441 3.446) 25.990 38.986 ( -18.093 -10.720 0.386) 21.034 39.065 ( -19.795 -8.743 0.454) 21.645 ======================= Grid point 121 (59/108) ======================= q-point: ( 0.31 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 16.924 6.724 2.593) 18.395 2.561 ( 12.329 2.231 -5.028) 13.501 3.037 ( 21.277 8.971 8.043) 24.452 3.140 ( 9.372 2.094 -6.352) 11.514 3.292 ( 8.067 -7.693 -8.945) 14.293 3.345 ( 9.498 -2.526 7.067) 12.105 3.368 ( 10.776 -10.416 -3.639) 15.422 3.566 ( 5.978 -11.076 -3.060) 12.953 3.729 ( 3.799 -3.830 2.765) 6.062 3.837 ( 11.254 -4.762 4.306) 12.956 3.965 ( 4.355 5.278 -2.477) 7.278 4.102 ( 4.066 0.986 -2.144) 4.701 4.181 ( 11.759 3.268 -6.970) 14.054 4.344 ( 7.971 4.411 7.496) 11.798 4.378 ( 9.216 -2.169 -4.687) 10.564 4.608 ( 7.834 -6.789 9.607) 14.133 4.696 ( 10.520 5.333 7.905) 14.199 4.815 ( 5.890 1.448 -3.872) 7.195 4.854 ( 1.977 0.176 2.770) 3.408 4.927 ( 2.787 -0.765 3.178) 4.296 5.227 ( 4.909 6.159 -2.547) 8.277 5.336 ( -4.335 -0.757 -3.970) 5.927 5.531 ( -5.655 5.331 5.399) 9.463 5.648 ( -4.040 4.144 -0.545) 5.813 5.728 ( 4.261 2.378 4.396) 6.568 6.005 ( -9.638 -7.505 -16.490) 20.521 6.055 ( -5.258 4.607 4.085) 8.097 6.155 ( 2.938 2.578 -5.915) 7.090 6.348 ( 0.316 6.727 1.500) 6.899 6.470 ( -5.552 0.622 0.759) 5.638 6.568 ( 1.642 6.203 3.655) 7.384 6.680 ( 2.052 3.760 9.147) 10.100 6.834 ( 0.326 -2.446 -1.648) 2.967 6.896 ( 1.444 -3.040 -4.210) 5.390 7.022 ( 3.768 -5.890 2.488) 7.422 7.083 ( 2.087 -7.497 3.564) 8.560 7.355 ( 5.122 3.277 -4.963) 7.849 7.405 ( 4.819 3.910 -3.380) 7.066 7.629 ( 2.009 7.697 0.908) 8.006 7.657 ( 5.375 0.933 -2.098) 5.845 7.834 ( -8.525 2.637 0.700) 8.951 7.877 ( 2.814 4.741 -3.811) 6.702 8.194 ( 4.916 1.071 0.401) 5.047 8.373 ( -0.286 -3.578 1.990) 4.105 8.607 ( -3.287 1.688 -1.558) 4.010 8.643 ( -6.768 4.240 2.131) 8.266 8.703 ( -3.231 0.537 0.458) 3.307 8.873 ( -2.098 -2.961 -1.699) 4.007 9.115 ( -1.747 -0.885 -1.546) 2.495 9.138 ( 0.649 -0.624 1.424) 1.685 9.187 ( -2.640 0.567 0.932) 2.857 9.319 ( 1.440 0.185 -2.094) 2.548 9.605 ( -7.808 2.095 0.407) 8.094 9.649 ( -9.524 -2.265 0.799) 9.823 9.777 ( -10.542 -5.663 -5.316) 13.095 9.995 ( -16.406 -10.093 6.515) 20.334 10.701 ( -3.028 1.528 4.668) 5.770 10.911 ( 1.881 -6.918 -0.026) 7.169 11.260 ( -1.806 2.633 -1.419) 3.494 11.418 ( -10.242 -5.641 -2.776) 12.018 16.405 ( 0.202 0.042 -0.042) 0.210 16.417 ( -0.241 -0.043 0.615) 0.662 16.469 ( -0.059 -2.054 -0.926) 2.253 16.479 ( -0.634 -1.739 0.194) 1.861 18.280 ( 0.968 4.738 -1.166) 4.974 18.353 ( -1.450 6.491 1.028) 6.730 18.452 ( 1.559 -3.275 0.635) 3.682 18.539 ( 0.072 -2.254 -0.097) 2.257 21.570 ( 1.479 1.612 -0.537) 2.253 21.632 ( 1.341 -0.994 -1.062) 1.978 21.696 ( 0.483 1.001 -0.412) 1.186 21.806 ( -2.158 -4.058 1.815) 4.942 27.231 ( 0.274 0.815 -0.606) 1.052 27.275 ( 0.071 -0.659 0.039) 0.664 27.351 ( -0.220 -0.815 0.042) 0.846 27.374 ( -0.037 -1.249 0.561) 1.370 36.036 ( 6.304 2.332 -2.936) 7.334 36.103 ( 3.218 -0.444 2.150) 3.896 36.619 ( 5.017 0.914 4.605) 6.871 36.840 ( 4.807 -10.801 -3.178) 12.242 38.098 ( -7.003 17.172 -1.435) 18.601 38.204 ( -10.732 16.491 1.666) 19.746 38.640 ( -16.287 -9.329 -1.061) 18.800 38.696 ( -17.743 -8.033 1.146) 19.510 ======================= Grid point 122 (60/108) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 11.092 2.337 -0.368) 11.342 2.860 ( 16.071 -2.273 3.001) 16.506 3.236 ( 2.865 -0.552 -1.707) 3.381 3.352 ( 7.928 -2.294 -2.861) 8.735 3.371 ( 3.732 -0.231 -5.237) 6.435 3.512 ( 6.878 -4.758 0.246) 8.367 3.546 ( 6.392 -3.796 4.968) 8.941 3.728 ( 5.137 -8.116 2.390) 9.898 3.860 ( 13.165 6.032 -2.199) 14.648 3.967 ( 1.687 0.740 0.653) 1.954 4.116 ( 7.373 -2.308 1.081) 7.801 4.163 ( 5.773 -1.566 1.861) 6.265 4.421 ( 14.328 3.895 -6.741) 16.306 4.485 ( 2.568 8.329 5.715) 10.423 4.528 ( 7.748 -0.299 -5.040) 9.248 4.710 ( -2.863 0.556 0.483) 2.956 4.840 ( 6.854 -5.908 2.191) 9.311 4.874 ( 0.288 -2.527 -2.694) 3.705 4.944 ( 2.920 2.241 4.432) 5.761 5.023 ( 0.744 -2.322 6.111) 6.580 5.279 ( 3.263 3.538 -5.207) 7.091 5.327 ( 6.536 5.015 1.312) 8.342 5.454 ( -1.916 6.586 2.758) 7.393 5.537 ( -4.755 2.634 -3.787) 6.625 5.736 ( -6.632 3.727 -1.098) 7.686 5.779 ( -6.311 2.330 -10.266) 12.273 5.958 ( -3.874 0.749 5.064) 6.420 6.120 ( -5.399 0.751 1.261) 5.595 6.361 ( -1.797 1.614 5.886) 6.363 6.382 ( -1.958 5.516 2.286) 6.284 6.537 ( -4.521 8.538 2.756) 10.047 6.709 ( -0.077 1.891 2.476) 3.116 6.843 ( 0.867 -4.072 -2.334) 4.773 6.921 ( 1.368 -1.517 1.327) 2.436 7.096 ( 1.186 -6.224 4.149) 7.573 7.137 ( 0.259 -6.836 1.059) 6.923 7.331 ( -3.349 9.264 0.075) 9.851 7.484 ( 0.815 4.477 -1.788) 4.889 7.616 ( -1.915 8.625 1.850) 9.027 7.696 ( 0.017 -1.222 0.428) 1.294 7.805 ( 9.193 2.256 -12.688) 15.830 7.965 ( 6.365 5.567 -3.346) 9.094 8.350 ( 6.417 -6.143 0.854) 8.924 8.366 ( 0.286 -5.502 -3.491) 6.522 8.511 ( -3.626 3.206 0.604) 4.877 8.587 ( -1.577 1.562 2.016) 2.999 8.667 ( -0.589 0.310 1.045) 1.239 8.805 ( -3.570 -3.647 -2.912) 5.876 9.115 ( 2.289 0.423 0.135) 2.332 9.155 ( -0.136 0.494 -1.564) 1.646 9.184 ( 2.384 -0.042 0.455) 2.428 9.354 ( 1.623 -1.094 -1.655) 2.564 9.452 ( -8.140 0.807 1.718) 8.359 9.489 ( -8.741 -8.306 0.671) 12.077 9.616 ( -1.954 -2.217 -3.914) 4.904 9.737 ( -10.700 -7.330 5.328) 14.022 10.644 ( -4.581 3.614 7.189) 9.259 10.945 ( 1.207 -9.102 2.067) 9.411 11.167 ( -7.807 0.584 -4.165) 8.868 11.261 ( -3.001 -2.804 -2.253) 4.685 16.403 ( -0.357 0.150 0.433) 0.581 16.417 ( 0.164 -0.202 -0.166) 0.309 16.465 ( -0.080 -1.176 -0.454) 1.263 16.470 ( -0.403 -1.023 0.107) 1.105 18.294 ( 0.716 5.179 -0.646) 5.268 18.330 ( -1.127 6.482 0.512) 6.599 18.481 ( 1.095 -3.705 0.553) 3.902 18.538 ( -0.054 -3.365 -0.263) 3.376 21.592 ( 0.909 1.443 0.101) 1.708 21.649 ( 0.840 -0.966 -0.685) 1.452 21.695 ( -0.246 0.639 -0.374) 0.781 21.765 ( -2.238 -2.447 0.898) 3.435 27.237 ( 0.452 1.329 -0.256) 1.427 27.272 ( -0.240 0.725 -0.198) 0.789 27.348 ( -0.253 -1.665 0.748) 1.843 27.376 ( 0.205 -1.879 -0.378) 1.927 36.135 ( 4.518 1.373 -1.788) 5.049 36.168 ( 2.429 0.148 1.593) 2.908 36.715 ( 2.889 1.561 4.310) 5.418 36.911 ( 3.586 -8.292 -3.392) 9.650 38.008 ( -1.984 10.511 -0.313) 10.702 38.050 ( -5.043 10.968 0.440) 12.080 38.351 ( -12.266 -6.047 -1.229) 13.730 38.384 ( -13.998 -5.687 0.825) 15.132 ======================= Grid point 123 (61/108) ======================= q-point: ( 0.46 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 7.888 1.164 2.606) 8.389 3.140 ( 9.619 -5.625 5.688) 12.510 3.245 ( -1.937 -0.634 1.623) 2.605 3.344 ( 0.299 0.380 -7.433) 7.448 3.479 ( 3.937 -1.591 -3.293) 5.374 3.627 ( 2.927 -9.771 3.814) 10.890 3.667 ( 4.870 0.467 3.693) 6.130 3.757 ( -1.092 -3.933 2.003) 4.547 3.966 ( 1.799 2.821 0.275) 3.357 4.157 ( 4.753 -3.413 -1.833) 6.132 4.176 ( 7.640 10.003 -2.848) 12.905 4.324 ( 1.365 -0.531 2.286) 2.714 4.426 ( -3.991 2.685 -3.983) 6.245 4.570 ( -8.103 0.541 -3.869) 8.996 4.607 ( 2.790 2.576 -7.294) 8.223 4.672 ( 7.288 0.880 -5.395) 9.110 4.820 ( -1.451 0.563 -0.193) 1.569 4.940 ( 0.460 0.654 4.293) 4.367 4.969 ( -4.086 -0.713 3.466) 5.405 5.010 ( 2.485 -5.053 4.033) 6.926 5.333 ( 0.977 7.636 -5.151) 9.262 5.377 ( -3.103 8.163 0.237) 8.737 5.503 ( 1.233 5.946 -0.652) 6.108 5.530 ( -4.024 5.465 -1.410) 6.932 5.635 ( 6.853 -2.262 6.588) 9.771 5.679 ( 2.715 6.847 -2.591) 7.808 5.957 ( 2.146 -0.911 1.879) 2.995 6.004 ( -5.426 -2.923 0.848) 6.221 6.290 ( -5.393 6.977 5.951) 10.639 6.397 ( 0.630 5.729 4.421) 7.264 6.516 ( 1.429 4.472 4.223) 6.314 6.700 ( -1.287 1.132 0.281) 1.737 6.846 ( 0.099 -4.026 -2.427) 4.702 6.934 ( -1.801 -1.232 0.419) 2.222 7.029 ( -4.156 5.701 1.027) 7.129 7.130 ( -0.799 -6.197 4.209) 7.533 7.332 ( 0.202 -1.294 3.023) 3.294 7.415 ( -3.166 1.974 3.375) 5.031 7.653 ( 2.964 4.651 -0.813) 5.575 7.763 ( 3.653 4.568 4.607) 7.446 7.917 ( 7.237 -1.181 -16.701) 18.239 8.079 ( 5.999 4.032 -5.999) 9.393 8.297 ( -4.047 -6.651 -8.544) 11.559 8.372 ( -2.755 -0.324 -7.823) 8.300 8.492 ( -0.156 2.473 4.365) 5.019 8.588 ( -0.186 0.757 2.620) 2.734 8.701 ( 2.695 -4.043 2.356) 5.401 8.732 ( -2.803 -4.632 -1.072) 5.519 9.154 ( 0.708 -2.505 -0.465) 2.644 9.180 ( 1.433 -0.770 0.524) 1.709 9.229 ( 2.232 -5.070 -0.784) 5.594 9.273 ( -7.684 -0.471 2.524) 8.102 9.334 ( -2.009 -3.139 -2.603) 4.546 9.380 ( -1.944 -6.689 -2.578) 7.428 9.628 ( -2.153 -1.121 4.863) 5.435 9.649 ( 2.496 -1.217 2.215) 3.552 10.598 ( -2.165 6.995 8.135) 10.945 10.972 ( 0.188 -8.766 2.331) 9.073 11.017 ( -3.743 2.923 -4.037) 6.233 11.219 ( -0.904 -4.763 -3.376) 5.908 16.399 ( -0.251 0.431 0.501) 0.707 16.419 ( 0.110 -0.355 -0.287) 0.470 16.462 ( -0.138 -0.698 -0.062) 0.714 16.465 ( -0.023 -0.774 -0.185) 0.796 18.299 ( -0.331 6.170 0.453) 6.196 18.319 ( 0.243 5.569 -0.624) 5.609 18.497 ( 0.291 -3.552 0.735) 3.639 18.536 ( -0.001 -4.275 -0.502) 4.304 21.608 ( 0.582 1.401 0.636) 1.644 21.661 ( 0.588 -0.440 -0.623) 0.963 21.689 ( -0.112 -0.290 -0.073) 0.319 21.729 ( -1.593 -1.541 0.053) 2.217 27.242 ( -0.080 1.549 0.373) 1.595 27.269 ( 0.256 1.714 -0.858) 1.934 27.344 ( -0.573 -2.083 1.154) 2.449 27.381 ( 0.458 -2.353 -0.803) 2.528 36.191 ( 0.863 0.851 0.619) 1.361 36.211 ( 2.130 0.235 -0.430) 2.186 36.761 ( 0.136 2.310 3.993) 4.615 36.951 ( 1.743 -6.684 -3.469) 7.729 37.998 ( -0.280 4.880 1.237) 5.042 38.023 ( 2.681 5.024 -0.947) 5.773 38.155 ( -8.190 -2.104 0.324) 8.462 38.169 ( -5.723 -1.669 -1.070) 6.057 ======================= Grid point 124 (62/108) ======================= q-point: (-0.46 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 0.726 1.704 6.076) 6.352 3.180 ( -5.245 -0.969 1.783) 5.624 3.221 ( -1.196 -1.047 -5.044) 5.289 3.380 ( 3.140 -1.102 -0.030) 3.328 3.502 ( -1.429 -3.264 1.744) 3.967 3.646 ( -1.232 -10.385 4.023) 11.205 3.704 ( -5.844 -0.877 0.118) 5.910 3.747 ( 0.669 -1.425 3.027) 3.412 3.986 ( -13.798 4.347 -7.208) 16.163 4.042 ( 3.132 1.758 3.769) 5.206 4.173 ( -2.844 0.080 -1.003) 3.017 4.285 ( -12.286 -5.150 -7.806) 15.440 4.358 ( -0.913 2.134 2.028) 3.082 4.489 ( 3.895 -2.396 -7.297) 8.611 4.552 ( -3.330 7.866 -3.996) 9.430 4.697 ( -3.889 1.101 -4.860) 6.321 4.841 ( 0.166 3.036 1.736) 3.501 4.890 ( -2.429 -0.737 2.677) 3.689 4.959 ( -1.666 -0.431 4.956) 5.246 5.063 ( -0.244 -3.955 5.405) 6.701 5.245 ( -6.349 8.448 -1.457) 10.668 5.324 ( -2.624 10.940 -4.723) 12.202 5.345 ( -4.436 3.922 1.740) 6.172 5.611 ( 5.359 1.040 0.771) 5.513 5.767 ( 1.101 2.955 1.331) 3.423 5.835 ( 7.052 3.254 -5.083) 9.282 5.904 ( -1.351 -0.113 1.065) 1.724 6.084 ( 8.575 -0.417 -0.423) 8.596 6.268 ( 0.988 4.602 9.267) 10.393 6.453 ( 3.274 6.143 6.082) 9.244 6.591 ( 3.249 5.135 6.162) 8.654 6.674 ( 0.154 0.331 -1.010) 1.074 6.829 ( 1.326 3.926 -3.327) 5.314 6.912 ( 1.326 -0.653 -1.038) 1.806 7.051 ( 3.339 3.366 2.904) 5.560 7.123 ( -0.794 -5.175 2.632) 5.860 7.326 ( -1.792 -1.988 2.063) 3.379 7.403 ( 0.021 -0.494 5.215) 5.239 7.684 ( 0.298 3.519 -0.552) 3.575 7.847 ( 2.062 3.671 6.206) 7.499 7.949 ( 0.812 -2.552 -12.152) 12.444 8.071 ( -6.283 -4.235 -10.065) 12.598 8.192 ( 0.078 1.163 -9.197) 9.271 8.254 ( -5.362 1.651 -8.851) 10.479 8.534 ( 2.390 1.686 3.592) 4.633 8.581 ( -0.454 1.007 0.897) 1.423 8.658 ( -4.392 -1.593 3.442) 5.803 8.774 ( 2.759 -7.987 -0.793) 8.487 9.114 ( -1.167 -2.731 -0.282) 2.983 9.174 ( -2.269 2.030 0.220) 3.053 9.207 ( 0.518 -0.777 1.537) 1.798 9.299 ( 3.368 -4.764 -1.442) 6.010 9.322 ( -1.861 -3.616 -3.002) 5.054 9.389 ( 6.100 -10.055 0.815) 11.789 9.590 ( -2.977 2.060 4.158) 5.513 9.718 ( 2.706 -2.457 1.841) 4.092 10.647 ( 3.987 7.455 9.359) 12.613 10.973 ( 2.765 -0.107 -4.001) 4.864 11.018 ( 1.792 -5.690 2.075) 6.316 11.192 ( -0.427 -5.259 -4.449) 6.902 16.397 ( -0.095 0.488 0.460) 0.677 16.419 ( 0.008 -0.455 -0.240) 0.515 16.460 ( -0.054 -0.495 -0.126) 0.514 16.467 ( 0.345 -0.908 -0.126) 0.979 18.290 ( -0.507 6.642 0.201) 6.664 18.329 ( 0.758 4.936 -0.377) 5.008 18.498 ( -0.434 -2.919 0.795) 3.056 18.534 ( -0.028 -4.745 -0.557) 4.778 21.620 ( 0.259 1.404 0.987) 1.736 21.664 ( 0.193 0.539 -1.459) 1.568 21.691 ( -0.437 -1.547 0.515) 1.688 21.711 ( 0.441 -1.253 -0.051) 1.329 27.237 ( -0.401 1.525 0.225) 1.593 27.277 ( 0.777 1.968 -0.829) 2.273 27.334 ( -0.873 -2.188 1.021) 2.568 27.387 ( 0.389 -2.455 -0.553) 2.547 36.179 ( -2.035 1.659 0.348) 2.649 36.240 ( 0.697 -1.077 -0.212) 1.301 36.749 ( -2.747 2.660 3.944) 5.494 36.951 ( -0.567 -6.502 -3.369) 7.345 37.979 ( -1.254 4.913 0.509) 5.096 38.036 ( -2.711 4.398 -0.131) 5.169 38.135 ( 8.143 -1.404 -0.375) 8.272 38.192 ( 7.199 -1.822 -0.458) 7.440 ======================= Grid point 125 (63/108) ======================= q-point: (-0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( -9.120 2.490 2.843) 9.872 3.052 ( -8.211 -2.209 -1.327) 8.606 3.103 ( -9.722 0.831 3.292) 10.298 3.278 ( -20.735 -1.259 -7.122) 21.960 3.355 ( -4.668 0.282 -3.918) 6.101 3.584 ( -5.415 -2.219 1.512) 6.044 3.631 ( -1.374 -3.725 3.482) 5.281 3.726 ( -2.579 -5.323 2.849) 6.565 3.824 ( -3.288 -0.612 1.036) 3.501 3.974 ( -11.157 -8.785 -0.939) 14.232 4.003 ( -9.493 3.438 -5.041) 11.285 4.179 ( -0.383 1.111 2.011) 2.329 4.302 ( -3.235 4.782 4.924) 7.588 4.471 ( -6.068 0.625 -6.483) 8.902 4.497 ( -2.365 -4.542 -1.398) 5.308 4.570 ( -4.730 0.551 0.173) 4.765 4.761 ( -5.536 1.280 1.481) 5.872 4.896 ( -4.195 3.131 0.313) 5.244 4.918 ( -1.118 -0.329 3.066) 3.281 5.001 ( -3.595 2.328 0.678) 4.336 5.190 ( -2.763 3.578 -0.656) 4.568 5.231 ( -0.187 0.499 0.094) 0.541 5.368 ( -0.133 5.071 3.240) 6.019 5.626 ( -6.319 5.843 -3.657) 9.351 5.702 ( 1.563 -1.923 0.506) 2.529 5.923 ( 5.713 0.436 -8.034) 9.868 5.981 ( 3.761 6.521 2.395) 7.900 6.238 ( 5.629 -1.220 -0.246) 5.765 6.363 ( 4.209 3.095 6.725) 8.516 6.493 ( -0.909 -0.982 0.931) 1.630 6.667 ( 2.249 5.792 2.405) 6.663 6.745 ( 4.589 7.005 3.744) 9.173 6.893 ( 4.122 6.633 -2.907) 8.333 6.975 ( 5.055 -1.289 5.311) 7.445 7.118 ( -0.501 -4.891 2.172) 5.375 7.135 ( 2.625 5.038 -0.870) 5.747 7.270 ( -2.674 2.742 0.100) 3.831 7.480 ( 5.317 0.656 3.917) 6.637 7.666 ( -1.805 -0.362 -3.613) 4.055 7.752 ( -11.155 2.835 -4.839) 12.485 7.892 ( -0.700 -0.907 -3.444) 3.629 7.968 ( -3.232 -5.632 1.348) 6.632 8.104 ( -3.395 2.599 -7.845) 8.935 8.171 ( -1.988 -2.465 -4.162) 5.230 8.545 ( -2.686 2.866 3.996) 5.603 8.589 ( 1.085 3.192 -0.386) 3.394 8.660 ( 4.332 -0.398 1.272) 4.533 8.797 ( 1.268 -5.716 -2.635) 6.421 9.113 ( -2.408 0.844 -0.112) 2.554 9.146 ( 1.504 -0.011 -0.387) 1.553 9.217 ( -0.138 1.780 -2.105) 2.760 9.305 ( 0.479 -3.422 -0.594) 3.506 9.365 ( 3.136 -5.386 2.506) 6.718 9.507 ( 5.967 -9.383 -0.802) 11.149 9.621 ( 6.754 2.722 1.877) 7.520 9.794 ( 5.628 -3.367 1.498) 6.728 10.805 ( 7.478 3.720 10.581) 13.480 11.024 ( 1.515 -5.763 2.487) 6.457 11.103 ( 7.481 -3.035 -5.276) 9.645 11.167 ( -0.214 -3.875 -5.386) 6.638 16.397 ( -0.076 0.357 0.284) 0.463 16.418 ( -0.094 -0.663 -0.001) 0.670 16.458 ( -0.056 -0.451 -0.288) 0.538 16.478 ( 0.728 -1.415 -0.076) 1.593 18.283 ( -0.222 6.621 -0.396) 6.636 18.343 ( 0.708 4.421 0.253) 4.485 18.489 ( -0.811 -1.898 0.730) 2.189 18.529 ( -0.281 -4.528 -0.430) 4.557 21.622 ( -0.438 1.098 0.458) 1.268 21.663 ( 0.145 1.280 -0.812) 1.523 21.676 ( -0.668 -1.469 -1.275) 2.057 21.738 ( 1.500 -2.166 1.568) 3.066 27.232 ( -0.151 1.204 -0.204) 1.231 27.290 ( 0.813 1.529 -0.738) 1.882 27.319 ( -0.973 -1.837 0.977) 2.297 27.391 ( 0.073 -2.300 -0.117) 2.304 36.119 ( -3.833 2.631 -0.456) 4.672 36.234 ( -1.301 -2.749 0.025) 3.041 36.687 ( -4.982 2.225 4.490) 7.066 36.904 ( -2.813 -7.480 -3.336) 8.660 37.999 ( 3.471 10.262 -0.289) 10.837 38.037 ( 2.981 10.371 0.378) 10.798 38.349 ( 13.311 -5.324 -0.766) 14.357 38.399 ( 13.391 -5.504 0.399) 14.483 ======================= Grid point 126 (64/108) ======================= q-point: (-0.31 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -25.644 2.942 -8.683) 27.233 2.701 ( -21.024 5.421 9.669) 23.767 2.853 ( -14.630 0.601 -8.981) 17.177 3.005 ( -7.008 -7.193 12.385) 15.945 3.219 ( -8.282 -3.079 -6.341) 10.876 3.455 ( -4.979 -3.314 -4.173) 7.293 3.533 ( -10.539 5.042 -4.737) 12.607 3.620 ( -8.104 -9.096 -1.720) 12.304 3.701 ( -9.263 2.916 0.856) 9.749 3.823 ( -5.250 2.554 0.267) 5.844 3.888 ( -1.911 -4.787 7.278) 8.918 4.099 ( -7.582 3.361 -1.304) 8.396 4.214 ( -11.162 -5.470 -7.581) 14.559 4.306 ( -3.949 -0.853 -1.109) 4.190 4.414 ( -4.094 0.550 6.319) 7.550 4.515 ( -4.987 -0.903 8.022) 9.489 4.659 ( -6.136 1.713 7.057) 9.507 4.755 ( -7.899 3.049 0.704) 8.496 4.910 ( -1.305 1.919 0.388) 2.353 4.996 ( 1.289 0.804 0.611) 1.637 5.104 ( -6.878 -1.178 -9.537) 11.817 5.183 ( -2.354 -1.337 -1.087) 2.917 5.394 ( 2.600 0.493 7.604) 8.051 5.576 ( 2.662 3.935 0.581) 4.786 5.743 ( 1.612 1.958 0.446) 2.576 5.992 ( 3.088 -1.248 -6.619) 7.409 6.010 ( -2.163 6.906 0.396) 7.247 6.286 ( -0.362 -2.678 -1.389) 3.038 6.396 ( -2.157 5.774 0.104) 6.164 6.508 ( 0.851 -2.915 5.361) 6.162 6.684 ( -0.292 5.754 -6.137) 8.418 6.815 ( 2.079 -0.444 1.855) 2.821 6.888 ( -4.321 5.172 -0.733) 6.780 7.046 ( -3.775 -3.543 0.992) 5.271 7.124 ( -1.846 4.385 1.657) 5.038 7.128 ( 1.422 2.082 7.423) 7.840 7.277 ( 2.592 7.189 -5.379) 9.345 7.411 ( -10.199 7.297 -8.108) 14.933 7.623 ( -3.098 0.334 3.152) 4.432 7.723 ( 5.973 -1.024 2.988) 6.757 7.800 ( -4.615 -2.801 0.739) 5.449 7.927 ( 1.078 -9.143 -4.766) 10.367 8.077 ( 0.172 3.911 -0.656) 3.969 8.170 ( 5.004 -2.608 -1.184) 5.766 8.539 ( 1.758 6.317 1.224) 6.670 8.622 ( 2.362 4.170 -0.704) 4.844 8.749 ( 3.042 -0.654 0.236) 3.121 8.839 ( 3.948 -4.846 -0.567) 6.277 9.075 ( -0.603 1.273 -0.423) 1.470 9.184 ( -1.827 3.022 1.476) 3.827 9.193 ( 2.957 -4.551 0.435) 5.445 9.270 ( -1.451 -1.925 -2.441) 3.431 9.507 ( 9.611 -2.889 0.085) 10.036 9.672 ( 10.903 -5.377 -2.408) 12.393 9.807 ( 10.556 2.102 2.136) 10.973 9.985 ( 12.582 -2.470 3.033) 13.176 10.981 ( 4.637 0.459 8.770) 9.931 11.054 ( 1.611 -3.529 2.045) 4.385 11.144 ( -0.036 -1.458 -1.785) 2.305 11.245 ( 8.668 -7.931 -8.879) 14.727 16.395 ( -0.246 0.175 0.044) 0.306 16.415 ( -0.315 -1.002 0.540) 1.181 16.456 ( -0.007 -0.519 -0.603) 0.796 16.495 ( 0.992 -2.314 -0.136) 2.521 18.278 ( 0.027 6.364 -1.049) 6.450 18.358 ( 0.527 3.523 0.902) 3.674 18.473 ( -1.085 -0.380 0.922) 1.474 18.520 ( -0.460 -3.681 -0.375) 3.729 21.604 ( -1.336 0.692 -0.536) 1.598 21.654 ( -1.067 -1.395 -1.540) 2.335 21.661 ( -0.390 1.825 -0.700) 1.993 21.773 ( 1.091 -3.246 2.582) 4.289 27.231 ( 0.240 0.674 -0.537) 0.895 27.296 ( -0.303 -1.929 -0.945) 2.170 27.311 ( 0.194 1.496 1.180) 1.915 27.389 ( -0.285 -1.958 0.340) 2.007 36.033 ( -4.334 3.271 -1.302) 5.583 36.190 ( -3.032 -4.233 -0.112) 5.208 36.592 ( -6.536 0.748 5.739) 8.730 36.817 ( -4.640 -8.807 -3.687) 10.615 38.098 ( 6.680 15.492 -1.753) 16.962 38.177 ( 11.093 17.342 1.917) 20.675 38.640 ( 16.143 -8.477 -0.549) 18.241 38.716 ( 18.373 -7.544 0.704) 19.874 ======================= Grid point 127 (65/108) ======================= q-point: (-0.23 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -26.201 8.657 -4.016) 27.885 2.280 ( -24.215 14.134 13.488) 31.113 2.576 ( -10.787 -5.702 -6.615) 13.880 2.902 ( -8.996 -11.444 10.037) 17.681 2.990 ( -9.801 -5.289 -9.808) 14.840 3.224 ( -14.952 8.779 -10.492) 20.266 3.390 ( -2.607 -8.204 -3.629) 9.342 3.450 ( -7.362 -2.031 -1.672) 7.818 3.533 ( -8.119 2.696 2.113) 8.812 3.699 ( -8.762 13.589 0.667) 16.183 3.821 ( -11.608 -3.813 4.608) 13.059 3.876 ( -9.525 -5.476 -6.233) 12.632 3.955 ( -10.684 3.095 -3.510) 11.664 4.231 ( -4.941 -0.409 -1.252) 5.114 4.340 ( -5.851 -0.078 4.007) 7.092 4.443 ( -4.641 -0.536 8.992) 10.133 4.599 ( -3.548 2.092 6.973) 8.099 4.625 ( -5.053 3.472 4.514) 7.614 4.864 ( -4.550 -0.515 -3.459) 5.738 4.893 ( -7.031 2.362 -3.699) 8.288 5.008 ( -0.569 2.190 1.989) 3.013 5.186 ( 2.516 -3.234 -4.390) 6.005 5.510 ( 4.584 -6.889 10.110) 13.064 5.679 ( 3.079 -6.156 7.770) 10.380 5.749 ( -0.331 5.132 -3.408) 6.170 5.870 ( -10.716 10.179 -3.070) 15.095 5.963 ( -3.532 0.555 -6.095) 7.067 6.230 ( -3.890 -5.814 -2.904) 7.575 6.310 ( -7.453 7.251 -0.798) 10.429 6.503 ( -5.703 3.331 3.860) 7.650 6.602 ( -2.801 0.449 -1.934) 3.433 6.704 ( -10.551 6.198 -2.095) 12.414 6.910 ( 3.732 -3.329 -1.702) 5.283 6.967 ( -0.887 -4.320 -3.246) 5.476 7.046 ( -3.844 0.756 1.738) 4.286 7.180 ( 0.337 -0.804 3.135) 3.254 7.204 ( -7.331 9.132 -1.747) 11.840 7.315 ( 1.621 4.854 -4.024) 6.510 7.498 ( -6.604 -2.818 6.800) 9.889 7.781 ( 1.650 -9.404 -7.613) 12.211 7.861 ( 5.459 -1.384 -0.714) 5.677 7.980 ( 3.994 -5.290 0.545) 6.651 8.088 ( -0.106 5.141 2.075) 5.545 8.298 ( 6.013 -3.067 1.599) 6.937 8.627 ( 6.532 5.556 -1.084) 8.643 8.677 ( 3.644 3.445 -2.311) 5.522 8.758 ( -2.201 -1.994 1.898) 3.525 8.949 ( 6.909 -6.277 0.539) 9.350 9.086 ( 1.459 1.630 1.345) 2.568 9.185 ( 3.264 1.608 0.950) 3.761 9.251 ( 2.621 0.843 -0.384) 2.780 9.328 ( 8.523 -3.899 -1.226) 9.453 9.708 ( 10.281 -0.231 -0.286) 10.288 9.892 ( 11.601 -4.840 -2.991) 12.921 10.049 ( 12.520 7.803 4.030) 15.292 10.274 ( 14.330 -0.050 4.117) 14.909 10.965 ( -3.895 1.987 -5.463) 6.998 11.135 ( 0.653 3.571 3.225) 4.856 11.186 ( 5.073 -6.184 7.137) 10.720 11.378 ( 8.525 -10.245 -8.907) 16.031 16.387 ( -0.554 0.048 -0.093) 0.564 16.407 ( -0.778 -0.673 0.890) 1.360 16.458 ( 0.584 -1.331 -0.738) 1.630 16.514 ( 1.016 -3.400 -0.363) 3.567 18.276 ( 0.303 5.898 -1.657) 6.134 18.370 ( 0.222 2.190 1.398) 2.607 18.452 ( -1.465 1.268 1.518) 2.461 18.509 ( -0.472 -2.293 -0.354) 2.368 21.566 ( -2.257 0.387 -1.036) 2.513 21.613 ( -2.236 -2.002 -3.946) 4.957 21.642 ( -1.663 2.789 1.182) 3.456 21.793 ( -0.440 -4.551 3.420) 5.709 27.238 ( 0.714 0.132 -0.767) 1.056 27.283 ( -0.477 -2.015 -0.455) 2.120 27.324 ( 0.615 1.585 0.635) 1.815 27.383 ( -0.515 -1.429 0.801) 1.717 35.951 ( -2.815 2.882 -2.315) 4.646 36.120 ( -3.939 -5.171 0.117) 6.502 36.472 ( -8.080 -1.583 7.204) 10.940 36.695 ( -6.255 -9.927 -4.370) 12.521 38.245 ( 8.756 21.168 -1.680) 22.969 38.488 ( 19.732 21.595 1.668) 29.300 38.973 ( 17.540 -9.626 0.885) 20.027 39.115 ( 21.391 -6.909 0.195) 22.479 ======================= Grid point 128 (66/108) ======================= q-point: (-0.15 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -19.415 17.342 3.079) 26.214 1.905 ( -17.973 22.783 14.093) 32.260 2.363 ( -9.903 0.628 -3.509) 10.525 2.674 ( -13.073 -10.016 1.672) 16.554 2.824 ( -5.772 -2.760 -15.320) 16.602 2.947 ( -8.540 -7.663 0.448) 11.483 3.247 ( -8.131 -8.051 -6.797) 13.309 3.315 ( -7.068 0.226 -3.302) 7.805 3.423 ( -9.646 21.159 4.870) 23.759 3.494 ( -8.233 5.078 0.090) 9.673 3.557 ( -8.982 -1.414 -1.402) 9.200 3.704 ( -8.158 1.831 -5.062) 9.774 3.757 ( -9.015 -1.247 0.927) 9.148 4.092 ( -8.767 0.728 2.446) 9.130 4.246 ( -4.015 -2.471 1.907) 5.085 4.389 ( -3.926 -0.646 5.157) 6.513 4.520 ( -2.884 9.068 -6.480) 11.512 4.617 ( -0.280 8.181 9.373) 12.445 4.741 ( -2.787 0.837 -1.833) 3.439 4.846 ( -0.568 2.138 1.510) 2.679 5.019 ( 1.266 -1.058 3.152) 3.558 5.220 ( 1.708 -2.606 -3.376) 4.594 5.468 ( -16.134 11.333 -0.222) 19.718 5.546 ( -13.154 -0.523 0.473) 13.173 5.697 ( -1.275 -15.230 5.228) 16.153 5.826 ( -7.482 1.238 -2.723) 8.058 5.860 ( 2.359 -5.231 2.653) 6.321 6.070 ( -11.923 1.254 -1.406) 12.070 6.158 ( -2.483 3.812 -3.395) 5.677 6.363 ( -5.976 2.392 1.450) 6.598 6.427 ( -11.135 4.267 -3.239) 12.357 6.660 ( 2.846 -4.743 4.808) 7.329 6.930 ( 2.613 -0.052 -3.007) 3.984 6.995 ( -2.505 0.295 -0.882) 2.672 7.046 ( 5.488 -10.460 -4.144) 12.517 7.077 ( -3.581 7.546 -0.757) 8.387 7.195 ( -0.216 -5.154 2.160) 5.593 7.334 ( 1.650 4.820 -1.125) 5.217 7.451 ( -2.083 -4.983 7.376) 9.142 7.762 ( 0.485 -15.731 -13.921) 21.012 7.939 ( 2.762 -0.647 -0.064) 2.837 8.017 ( -1.973 -4.289 6.248) 7.831 8.096 ( 0.822 2.271 0.708) 2.516 8.364 ( -0.747 -7.682 0.796) 7.759 8.664 ( -3.576 2.046 1.628) 4.430 8.737 ( 4.022 -0.313 -5.458) 6.787 8.790 ( 5.638 2.431 0.008) 6.140 9.058 ( 2.584 -8.083 1.585) 8.633 9.183 ( 7.436 5.693 3.080) 9.858 9.307 ( 10.328 5.361 -0.567) 11.650 9.399 ( 11.189 2.629 2.065) 11.678 9.516 ( 9.902 -4.649 -1.108) 10.995 9.896 ( 8.657 1.640 -0.830) 8.850 10.085 ( 9.468 -4.425 -5.045) 11.605 10.273 ( 6.012 9.921 7.116) 13.609 10.538 ( 8.175 -1.716 6.807) 10.776 10.852 ( -2.024 9.646 -12.329) 15.785 11.115 ( -3.150 4.250 1.983) 5.650 11.327 ( 4.076 -2.462 12.580) 13.451 11.540 ( 12.952 -9.615 -12.359) 20.321 16.374 ( -0.605 0.188 -0.098) 0.641 16.393 ( -0.805 0.516 0.343) 1.016 16.473 ( 1.065 -2.820 -0.122) 3.017 16.531 ( 1.049 -4.192 -0.914) 4.417 18.280 ( 0.825 5.436 -1.911) 5.821 18.377 ( -0.152 1.213 1.910) 2.268 18.426 ( -1.861 1.973 1.824) 3.269 18.498 ( -0.753 -1.104 -0.078) 1.339 21.511 ( -2.780 -0.028 -1.672) 3.245 21.535 ( -3.949 -1.348 -3.168) 5.239 21.605 ( -2.406 2.749 1.211) 3.848 21.774 ( -2.823 -5.506 3.491) 7.104 27.253 ( 1.164 -0.225 -0.851) 1.460 27.277 ( 0.079 -1.364 -0.434) 1.433 27.337 ( 0.418 1.194 0.478) 1.352 27.375 ( -0.568 -0.796 1.121) 1.487 35.921 ( 1.179 0.315 -3.208) 3.432 36.044 ( -3.973 -6.021 1.954) 7.473 36.323 ( -9.771 -2.992 7.516) 12.685 36.540 ( -7.633 -10.301 -4.875) 13.716 38.423 ( 9.354 26.432 0.248) 28.039 38.941 ( 24.682 15.733 -3.179) 29.442 39.342 ( 19.468 -4.576 3.459) 20.296 39.533 ( 20.295 -3.525 -1.074) 20.627 ======================= Grid point 129 (67/108) ======================= q-point: (-0.08 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -7.783 26.791 9.126) 29.353 1.699 ( -8.288 29.844 13.809) 33.913 2.124 ( -11.343 15.081 -6.575) 19.984 2.500 ( -5.499 -17.157 4.321) 18.528 2.662 ( -3.235 4.310 -11.872) 13.037 2.856 ( -2.795 -16.189 -4.471) 17.026 3.072 ( -4.818 -8.866 -9.290) 13.716 3.144 ( -9.407 20.449 4.308) 22.918 3.252 ( -5.172 10.898 5.461) 13.241 3.345 ( -4.998 0.553 -4.556) 6.786 3.484 ( -3.241 -3.334 -5.534) 7.228 3.563 ( -3.907 -0.762 1.536) 4.267 3.605 ( -5.500 1.107 -0.016) 5.610 3.943 ( -6.530 4.070 4.406) 8.867 4.210 ( -1.663 -2.311 6.814) 7.385 4.336 ( -1.481 1.337 -0.523) 2.063 4.460 ( -0.511 17.548 -7.239) 18.989 4.647 ( -0.846 11.602 3.287) 12.088 4.730 ( 2.601 7.277 -1.111) 7.807 4.889 ( 4.095 3.662 0.965) 5.578 5.041 ( -6.892 -0.654 -0.529) 6.943 5.139 ( -6.417 7.299 -2.750) 10.100 5.197 ( -8.121 6.377 -1.127) 10.387 5.289 ( -5.540 -2.773 0.829) 6.251 5.545 ( -11.859 -8.711 0.582) 14.726 5.623 ( -14.388 -7.668 -2.558) 16.504 5.823 ( -4.239 -15.147 1.671) 15.817 5.968 ( 0.857 -17.273 2.980) 17.549 6.189 ( 5.116 8.104 1.571) 9.712 6.305 ( -0.205 -0.934 4.703) 4.799 6.316 ( -1.871 4.695 0.836) 5.123 6.711 ( -0.007 -4.164 3.375) 5.360 6.931 ( -1.712 0.788 -4.293) 4.688 6.981 ( 2.611 -0.942 -3.096) 4.158 7.038 ( -1.250 1.683 2.818) 3.512 7.120 ( 3.102 -9.489 -4.760) 11.059 7.194 ( -0.232 -7.352 0.419) 7.367 7.371 ( 1.562 3.958 -0.568) 4.293 7.434 ( -2.403 -6.780 5.788) 9.233 7.703 ( -0.715 -14.731 -13.600) 20.062 7.979 ( 0.309 -2.810 2.819) 3.992 7.982 ( -2.339 -4.234 4.995) 6.954 8.113 ( 0.534 -0.360 0.687) 0.942 8.288 ( -5.058 -8.307 -0.436) 9.736 8.623 ( -1.086 4.042 0.760) 4.254 8.768 ( 1.581 -2.363 -5.328) 6.039 8.897 ( 4.563 1.174 0.913) 4.800 9.077 ( -0.476 -5.928 0.722) 5.991 9.366 ( 8.566 7.823 3.040) 11.993 9.567 ( 13.698 1.562 1.603) 13.880 9.628 ( 8.921 0.028 2.718) 9.326 9.682 ( 7.817 -0.230 -2.489) 8.207 10.033 ( 5.945 3.616 -2.901) 7.539 10.241 ( 8.551 -3.223 -8.337) 12.371 10.304 ( -3.882 6.125 5.892) 9.343 10.497 ( -11.232 -4.713 3.026) 12.551 10.913 ( 6.669 14.161 -3.399) 16.018 11.049 ( -2.817 8.367 0.360) 8.836 11.404 ( -1.352 3.580 15.151) 15.627 11.804 ( 17.537 -8.231 -15.327) 24.703 16.366 ( -0.195 0.549 -0.137) 0.598 16.385 ( 0.310 1.727 -0.812) 1.933 16.490 ( 0.311 -3.826 0.727) 3.906 16.550 ( 1.316 -4.274 -1.789) 4.817 18.298 ( 1.678 5.253 -1.360) 5.680 18.369 ( -2.044 2.452 2.892) 4.307 18.400 ( -1.091 0.189 1.358) 1.752 18.475 ( -1.383 -1.152 -0.224) 1.814 21.441 ( -2.298 0.712 -0.941) 2.583 21.474 ( -1.579 -0.922 0.613) 1.928 21.561 ( -2.213 2.237 0.261) 3.158 21.709 ( -4.579 -5.163 1.827) 7.138 27.275 ( 1.173 -0.191 -0.552) 1.310 27.284 ( 0.818 -0.698 -0.374) 1.139 27.342 ( -0.040 0.808 0.224) 0.840 27.367 ( -0.801 -0.336 0.831) 1.202 35.963 ( -4.667 -6.131 6.186) 9.881 35.986 ( 3.590 -6.527 -0.579) 7.472 36.167 ( -6.102 -0.404 2.435) 6.583 36.367 ( -7.668 -9.093 -4.618) 12.760 38.605 ( 7.808 30.005 4.677) 31.355 39.328 ( 14.976 -1.901 -8.042) 17.104 39.748 ( 17.862 4.869 -4.022) 18.945 39.870 ( 13.768 0.332 -2.391) 13.978 ======================= Grid point 130 (68/108) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.001 -28.436 8.489) 29.676 1.945 ( 0.001 28.436 8.489) 29.676 2.229 ( -4.344 -26.789 0.069) 27.139 2.229 ( -4.344 26.789 0.069) 27.139 2.459 ( 4.768 -26.974 -3.116) 27.569 2.459 ( 4.768 26.974 -3.116) 27.569 3.035 ( 3.838 -12.152 -18.499) 22.464 3.035 ( 3.838 12.152 -18.499) 22.464 3.328 ( -2.491 -2.609 0.694) 3.673 3.328 ( -2.491 2.609 0.694) 3.673 3.521 ( 1.529 -3.035 -1.998) 3.942 3.521 ( 1.529 3.035 -1.998) 3.942 3.980 ( 0.426 -18.997 6.743) 20.163 3.980 ( 0.426 18.997 6.743) 20.163 4.162 ( 1.160 -14.430 11.785) 18.667 4.162 ( 1.160 14.430 11.785) 18.667 4.753 ( -0.054 -4.629 -3.230) 5.645 4.753 ( -0.054 4.629 -3.230) 5.645 4.820 ( -11.637 -4.729 -3.897) 13.152 4.820 ( -11.637 4.729 -3.897) 13.152 5.069 ( 4.138 -3.876 1.321) 5.821 5.069 ( 4.138 3.876 1.321) 5.821 5.197 ( -4.488 -4.952 1.058) 6.767 5.197 ( -4.488 4.952 1.058) 6.767 5.364 ( 1.582 -20.451 4.515) 21.003 5.364 ( 1.582 20.451 4.515) 21.003 5.603 ( 6.933 -17.814 -4.774) 19.703 5.603 ( 6.933 17.814 -4.774) 19.703 6.309 ( 0.285 -3.769 6.670) 7.666 6.309 ( 0.285 3.769 6.670) 7.666 6.550 ( 0.731 -10.617 -2.779) 10.999 6.550 ( 0.731 10.617 -2.779) 10.999 6.967 ( -1.193 -7.562 -1.450) 7.792 6.967 ( -1.193 7.562 -1.450) 7.792 7.034 ( -0.215 -5.357 -2.187) 5.790 7.034 ( -0.215 5.357 -2.187) 5.790 7.156 ( -1.263 -5.394 0.334) 5.550 7.156 ( -1.263 5.394 0.334) 5.550 7.500 ( -0.539 -6.441 -3.881) 7.539 7.500 ( -0.539 6.441 -3.881) 7.539 7.938 ( -0.438 -2.920 4.935) 5.751 7.938 ( -0.438 2.920 4.935) 5.751 8.168 ( 2.468 -3.520 -1.026) 4.420 8.168 ( 2.468 3.520 -1.026) 4.420 8.692 ( -0.490 -4.451 -1.991) 4.901 8.692 ( -0.490 4.451 -1.991) 4.901 8.982 ( 0.037 -2.520 0.321) 2.541 8.982 ( 0.037 2.520 0.321) 2.541 9.581 ( -1.611 -4.947 3.228) 6.123 9.581 ( -1.611 4.947 3.228) 6.123 9.803 ( 3.440 -2.854 -2.445) 5.095 9.803 ( 3.440 2.854 -2.445) 5.095 10.184 ( -5.556 -0.684 -0.475) 5.618 10.184 ( -5.556 0.684 -0.475) 5.618 10.360 ( 6.496 -5.005 -3.707) 9.000 10.360 ( 6.496 5.005 -3.707) 9.000 11.034 ( -7.762 -4.858 7.956) 12.130 11.034 ( -7.762 4.858 7.956) 12.130 11.743 ( 5.425 -17.860 -5.154) 19.364 11.743 ( 5.425 17.860 -5.154) 19.364 16.395 ( 0.206 -2.425 0.227) 2.444 16.395 ( 0.206 2.425 0.227) 2.444 16.488 ( 0.571 -3.508 -2.026) 4.091 16.488 ( 0.571 3.508 -2.026) 4.091 18.352 ( -2.938 -1.497 2.562) 4.175 18.352 ( -2.938 1.497 2.562) 4.175 18.428 ( 1.862 -3.406 -0.710) 3.946 18.428 ( 1.862 3.406 -0.710) 3.946 21.464 ( 2.189 -0.740 2.236) 3.215 21.464 ( 2.189 0.740 2.236) 3.215 21.566 ( -1.734 -2.629 -1.292) 3.404 21.566 ( -1.734 2.629 -1.292) 3.404 27.294 ( 0.476 -0.317 -0.290) 0.641 27.294 ( 0.476 0.317 -0.290) 0.641 27.346 ( -0.588 -0.337 0.272) 0.730 27.346 ( -0.588 0.337 0.272) 0.730 35.894 ( -2.267 -6.780 3.376) 7.906 35.894 ( -2.267 6.780 3.376) 7.906 36.166 ( 1.726 -2.578 -2.535) 4.006 36.166 ( 1.726 2.578 -2.535) 4.006 39.225 ( 2.087 -19.319 4.464) 19.938 39.225 ( 2.087 19.319 4.464) 19.938 39.953 ( -3.049 -3.673 -9.135) 10.307 39.953 ( -3.049 3.673 -9.135) 10.307 ======================= Grid point 132 (69/108) ======================= q-point: ( 0.08 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 5.296 -21.150 10.658) 24.269 2.019 ( 5.296 21.150 10.658) 24.269 2.222 ( 3.369 -17.870 -2.800) 18.399 2.222 ( 3.369 17.870 -2.800) 18.399 2.596 ( 9.331 -22.193 -1.464) 24.120 2.596 ( 9.331 22.193 -1.464) 24.120 3.084 ( 7.868 -15.670 -19.726) 26.392 3.084 ( 7.868 15.670 -19.726) 26.392 3.322 ( 1.923 -0.925 2.047) 2.957 3.322 ( 1.923 0.925 2.047) 2.957 3.623 ( 8.798 -5.318 -2.137) 10.500 3.623 ( 8.798 5.318 -2.137) 10.500 4.005 ( -0.609 -5.944 6.218) 8.623 4.005 ( -0.609 5.944 6.218) 8.623 4.215 ( -1.296 -23.858 6.023) 24.640 4.215 ( -1.296 23.858 6.023) 24.640 4.636 ( -3.769 -2.592 3.922) 6.025 4.636 ( -3.769 2.592 3.922) 6.025 4.722 ( -0.121 -4.224 -3.401) 5.425 4.722 ( -0.121 4.224 -3.401) 5.425 5.147 ( 2.995 -8.323 4.187) 9.787 5.147 ( 2.995 8.323 4.187) 9.787 5.262 ( 5.984 -10.893 2.632) 12.704 5.262 ( 5.984 10.893 2.632) 12.704 5.482 ( 11.670 -18.699 -3.865) 22.378 5.482 ( 11.670 18.699 -3.865) 22.378 5.821 ( 14.632 -12.064 -2.671) 19.151 5.821 ( 14.632 12.064 -2.671) 19.151 6.326 ( -0.929 -8.562 4.319) 9.634 6.326 ( -0.929 8.562 4.319) 9.634 6.539 ( -0.494 -5.322 -1.000) 5.438 6.539 ( -0.494 5.322 -1.000) 5.438 6.931 ( -1.617 -8.758 -3.818) 9.690 6.931 ( -1.617 8.758 -3.818) 9.690 7.005 ( -1.907 -8.320 0.193) 8.538 7.005 ( -1.907 8.320 0.193) 8.538 7.163 ( 1.339 -1.722 0.580) 2.257 7.163 ( 1.339 1.722 0.580) 2.257 7.471 ( -0.064 -8.588 -4.295) 9.602 7.471 ( -0.064 8.588 -4.295) 9.602 7.954 ( 0.189 -4.060 4.010) 5.710 7.954 ( 0.189 4.060 4.010) 5.710 8.243 ( 4.470 -5.083 -0.001) 6.769 8.243 ( 4.470 5.083 -0.001) 6.769 8.680 ( 0.282 -5.083 -2.137) 5.522 8.680 ( 0.282 5.083 -2.137) 5.522 8.964 ( -1.891 -0.511 0.440) 2.008 8.964 ( -1.891 0.511 0.440) 2.008 9.487 ( -8.235 -4.156 2.813) 9.644 9.487 ( -8.235 4.156 2.813) 9.644 9.701 ( -11.168 -4.953 -0.858) 12.247 9.701 ( -11.168 4.953 -0.858) 12.247 10.125 ( -0.082 -4.811 -5.253) 7.123 10.125 ( -0.082 4.811 -5.253) 7.123 10.464 ( 1.177 -10.182 3.653) 10.881 10.464 ( 1.177 10.182 3.653) 10.881 10.882 ( -8.131 -3.030 2.179) 8.947 10.882 ( -8.131 3.030 2.179) 8.947 11.736 ( -3.998 -17.288 -2.772) 17.959 11.736 ( -3.998 17.288 -2.772) 17.959 16.403 ( 0.463 -2.551 0.240) 2.604 16.403 ( 0.463 2.551 0.240) 2.604 16.478 ( -0.821 -3.801 -1.567) 4.192 16.478 ( -0.821 3.801 -1.567) 4.192 18.316 ( -0.987 -2.497 0.837) 2.812 18.316 ( -0.987 2.497 0.837) 2.812 18.467 ( 1.633 -3.046 0.721) 3.531 18.467 ( 1.633 3.046 0.721) 3.531 21.523 ( 1.476 -1.226 -0.646) 2.024 21.523 ( 1.476 1.226 -0.646) 2.024 21.573 ( 3.772 -1.244 1.196) 4.148 21.573 ( 3.772 1.244 1.196) 4.148 27.281 ( -1.288 -0.442 -0.709) 1.535 27.281 ( -1.288 0.442 -0.709) 1.535 27.348 ( 0.470 -0.719 0.762) 1.149 27.348 ( 0.470 0.719 0.762) 1.149 35.872 ( -0.319 -7.959 1.975) 8.207 35.872 ( -0.319 7.959 1.975) 8.207 36.254 ( 6.970 -4.788 -1.324) 8.559 36.254 ( 6.970 4.788 -1.324) 8.559 39.194 ( -6.967 -16.722 3.629) 18.475 39.194 ( -6.967 16.722 3.629) 18.475 39.687 ( -18.806 -9.531 -6.525) 22.070 39.687 ( -18.806 9.531 -6.525) 22.070 ======================= Grid point 134 (70/108) ======================= q-point: ( 0.15 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 9.044 -12.792 4.609) 16.330 2.229 ( 9.044 12.792 4.609) 16.330 2.347 ( 12.589 -11.520 4.766) 17.717 2.347 ( 12.589 11.520 4.766) 17.717 2.792 ( 11.187 -12.812 -4.341) 17.554 2.792 ( 11.187 12.812 -4.341) 17.554 3.176 ( 7.853 -13.561 -17.265) 23.316 3.176 ( 7.853 13.561 -17.265) 23.316 3.422 ( 6.765 -2.011 3.472) 7.865 3.422 ( 6.765 2.011 3.472) 7.865 3.825 ( 12.210 -6.906 -3.495) 14.457 3.825 ( 12.210 6.906 -3.495) 14.457 4.008 ( 0.144 -5.870 1.457) 6.050 4.008 ( 0.144 5.870 1.457) 6.050 4.204 ( 0.449 -19.629 4.456) 20.134 4.204 ( 0.449 19.629 4.456) 20.134 4.636 ( -0.182 -12.351 7.784) 14.601 4.636 ( -0.182 12.351 7.784) 14.601 4.756 ( 3.781 -6.260 -2.902) 7.868 4.756 ( 3.781 6.260 -2.902) 7.868 5.272 ( 5.854 -8.385 6.573) 12.157 5.272 ( 5.854 8.385 6.573) 12.157 5.341 ( 3.805 -2.661 3.055) 5.558 5.341 ( 3.805 2.661 3.055) 5.558 5.794 ( 18.094 -5.140 -4.479) 19.336 5.794 ( 18.094 5.140 -4.479) 19.336 6.045 ( 5.667 -6.382 -0.691) 8.563 6.045 ( 5.667 6.382 -0.691) 8.563 6.325 ( 2.606 -9.872 -2.751) 10.575 6.325 ( 2.606 9.872 -2.751) 10.575 6.556 ( 2.303 -2.784 0.458) 3.642 6.556 ( 2.303 2.784 0.458) 3.642 6.875 ( -2.268 -8.488 -1.860) 8.980 6.875 ( -2.268 8.488 -1.860) 8.980 6.967 ( -2.394 -7.500 1.111) 7.951 6.967 ( -2.394 7.500 1.111) 7.951 7.197 ( 2.123 -1.016 -0.014) 2.353 7.197 ( 2.123 1.016 -0.014) 2.353 7.493 ( 4.302 -8.512 -5.438) 10.979 7.493 ( 4.302 8.512 -5.438) 10.979 7.972 ( 0.184 -4.902 2.787) 5.642 7.972 ( 0.184 4.902 2.787) 5.642 8.305 ( 0.945 -5.652 1.634) 5.959 8.305 ( 0.945 5.652 1.634) 5.959 8.700 ( 2.701 -6.594 -2.303) 7.489 8.700 ( 2.701 6.594 -2.303) 7.489 8.908 ( -4.336 -4.262 0.714) 6.121 8.908 ( -4.336 4.262 0.714) 6.121 9.312 ( -9.521 -4.343 2.905) 10.861 9.312 ( -9.521 4.343 2.905) 10.861 9.461 ( -11.255 -4.930 -1.173) 12.344 9.461 ( -11.255 4.930 -1.173) 12.344 10.063 ( -4.686 -6.591 -7.448) 10.995 10.063 ( -4.686 6.591 -7.448) 10.995 10.360 ( -14.509 -14.011 13.923) 24.509 10.360 ( -14.509 14.011 13.923) 24.509 10.796 ( 0.215 -3.389 -7.129) 7.896 10.796 ( 0.215 3.389 -7.129) 7.896 11.605 ( -7.659 -13.638 -0.444) 15.648 11.605 ( -7.659 13.638 -0.444) 15.648 16.413 ( 0.364 -2.104 0.226) 2.147 16.413 ( 0.364 2.104 0.226) 2.147 16.455 ( -0.728 -3.269 -0.810) 3.446 16.455 ( -0.728 3.269 -0.810) 3.446 18.319 ( 0.973 -3.236 -0.327) 3.395 18.319 ( 0.973 3.236 -0.327) 3.395 18.490 ( 0.236 -3.196 1.289) 3.454 18.490 ( 0.236 3.196 1.289) 3.454 21.545 ( 1.831 -1.759 -2.269) 3.405 21.545 ( 1.831 1.759 -2.269) 3.405 21.665 ( 3.737 -4.228 2.322) 6.102 21.665 ( 3.737 4.228 2.322) 6.102 27.255 ( -0.811 -0.645 -0.808) 1.314 27.255 ( -0.811 0.645 -0.808) 1.314 27.359 ( 0.140 -0.734 0.934) 1.196 27.359 ( 0.140 0.734 0.934) 1.196 35.905 ( 3.004 -5.819 0.815) 6.599 35.905 ( 3.004 5.819 0.815) 6.599 36.402 ( 7.908 -6.531 -0.479) 10.268 36.402 ( 7.908 6.531 -0.479) 10.268 38.989 ( -13.634 -13.399 -0.826) 19.133 38.989 ( -13.634 13.399 -0.826) 19.133 39.252 ( -22.464 -12.646 0.285) 25.780 39.252 ( -22.464 12.646 0.285) 25.780 ======================= Grid point 136 (71/108) ======================= q-point: ( 0.23 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 8.404 -10.237 -1.750) 13.360 2.380 ( 8.404 10.237 -1.750) 13.360 2.753 ( 21.424 -10.910 11.757) 26.763 2.753 ( 21.424 10.910 11.757) 26.763 2.998 ( 12.294 -5.220 -7.978) 15.557 2.998 ( 12.294 5.220 -7.978) 15.557 3.258 ( 5.881 -11.320 -10.695) 16.647 3.258 ( 5.881 11.320 -10.695) 16.647 3.581 ( 7.428 -2.182 3.439) 8.472 3.581 ( 7.428 2.182 3.439) 8.472 4.002 ( 4.687 -5.805 -4.306) 8.614 4.002 ( 4.687 5.805 -4.306) 8.614 4.095 ( 10.717 -5.634 -3.177) 12.518 4.095 ( 10.717 5.634 -3.177) 12.518 4.291 ( 6.012 -11.364 7.662) 14.966 4.291 ( 6.012 11.364 7.662) 14.966 4.682 ( 1.995 -11.022 8.266) 13.921 4.682 ( 1.995 11.022 8.266) 13.921 4.822 ( 4.196 -4.172 -3.337) 6.793 4.822 ( 4.196 4.172 -3.337) 6.793 5.323 ( 0.356 -9.982 0.565) 10.004 5.323 ( 0.356 9.982 0.565) 10.004 5.519 ( 8.254 -5.777 8.161) 12.966 5.519 ( 8.254 5.777 8.161) 12.966 5.944 ( -3.837 -11.947 -3.407) 13.002 5.944 ( -3.837 11.947 -3.407) 13.002 6.121 ( 6.503 -4.149 -5.888) 9.704 6.121 ( 6.503 4.149 -5.888) 9.704 6.450 ( 7.828 -4.424 1.057) 9.054 6.450 ( 7.828 4.424 1.057) 9.054 6.571 ( -0.721 -4.215 1.172) 4.434 6.571 ( -0.721 4.215 1.172) 4.434 6.866 ( 0.485 -4.827 0.113) 4.852 6.866 ( 0.485 4.827 0.113) 4.852 6.928 ( -0.474 -1.787 0.147) 1.854 6.928 ( -0.474 1.787 0.147) 1.854 7.268 ( 5.981 -1.127 -1.806) 6.349 7.268 ( 5.981 1.127 -1.806) 6.349 7.586 ( 6.403 -5.082 -4.763) 9.461 7.586 ( 6.403 5.082 -4.763) 9.461 7.969 ( -1.211 -3.825 -0.545) 4.049 7.969 ( -1.211 3.825 -0.545) 4.049 8.296 ( -2.226 -6.640 2.810) 7.546 8.296 ( -2.226 6.640 2.810) 7.546 8.754 ( 2.357 -5.560 -1.091) 6.137 8.754 ( 2.357 5.560 -1.091) 6.137 8.791 ( -6.944 -4.993 0.886) 8.599 8.791 ( -6.944 4.993 0.886) 8.599 9.173 ( -5.284 -3.079 2.175) 6.491 9.173 ( -5.284 3.079 2.175) 6.491 9.285 ( -5.406 -3.412 -1.109) 6.488 9.285 ( -5.406 3.412 -1.109) 6.488 9.884 ( -10.167 -6.647 -7.032) 14.036 9.884 ( -10.167 6.647 -7.032) 14.036 10.073 ( -17.741 -13.019 11.433) 24.799 10.073 ( -17.741 13.019 11.433) 24.799 10.789 ( 0.590 -4.273 -3.903) 5.817 10.789 ( 0.590 4.273 -3.903) 5.817 11.457 ( -7.065 -8.952 -0.363) 11.410 11.457 ( -7.065 8.952 -0.363) 11.410 16.415 ( -0.188 -1.091 0.122) 1.113 16.415 ( -0.188 1.091 0.122) 1.113 16.449 ( 0.217 -1.518 -0.336) 1.570 16.449 ( 0.217 1.518 -0.336) 1.570 18.344 ( 1.553 -3.796 -0.669) 4.156 18.344 ( 1.553 3.796 -0.669) 4.156 18.487 ( -0.814 -3.879 1.167) 4.131 18.487 ( -0.814 3.879 1.167) 4.131 21.576 ( 1.934 -1.874 -1.767) 3.220 21.576 ( 1.934 1.874 -1.767) 3.220 21.723 ( 1.333 -4.082 1.680) 4.611 21.723 ( 1.333 4.082 1.680) 4.611 27.246 ( 0.130 -1.060 -0.687) 1.270 27.246 ( 0.130 1.060 -0.687) 1.270 27.360 ( -0.317 -0.621 0.780) 1.046 27.360 ( -0.317 0.621 0.780) 1.046 35.986 ( 4.647 -3.470 0.365) 5.811 35.986 ( 4.647 3.470 0.365) 5.811 36.551 ( 7.163 -6.427 -0.153) 9.625 36.551 ( 7.163 6.427 -0.153) 9.625 38.688 ( -14.930 -13.443 -3.717) 20.431 38.688 ( -14.930 13.443 -3.717) 20.431 38.839 ( -20.032 -12.025 3.926) 23.692 38.839 ( -20.032 12.025 3.926) 23.692 ======================= Grid point 138 (72/108) ======================= q-point: ( 0.31 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 11.275 -2.998 -0.845) 11.698 2.571 ( 11.275 2.998 -0.845) 11.698 3.116 ( 10.968 -3.216 -0.413) 11.437 3.116 ( 10.968 3.216 -0.413) 11.437 3.294 ( 18.353 -1.761 3.412) 18.750 3.294 ( 18.353 1.762 3.412) 18.750 3.333 ( 5.426 -8.567 -5.921) 11.743 3.333 ( 5.426 8.567 -5.921) 11.743 3.741 ( 8.402 -3.875 2.174) 9.505 3.741 ( 8.402 3.875 2.174) 9.505 4.059 ( 2.729 -4.179 -2.491) 5.578 4.059 ( 2.729 4.180 -2.491) 5.578 4.293 ( 10.608 -6.084 -5.288) 13.323 4.293 ( 10.608 6.084 -5.288) 13.323 4.477 ( 8.822 -6.840 7.465) 13.430 4.477 ( 8.822 6.840 7.465) 13.430 4.774 ( 3.941 -3.507 5.848) 7.876 4.774 ( 3.941 3.507 5.848) 7.876 4.903 ( 4.603 -2.260 0.308) 5.137 4.903 ( 4.603 2.260 0.308) 5.137 5.321 ( 0.301 -2.456 -3.383) 4.191 5.321 ( 0.301 2.456 -3.383) 4.191 5.624 ( -1.624 -4.766 3.940) 6.394 5.624 ( -1.624 4.766 3.940) 6.394 5.838 ( -2.476 -8.946 -4.819) 10.458 5.838 ( -2.476 8.946 -4.819) 10.458 6.146 ( -2.542 -3.320 -1.482) 4.436 6.146 ( -2.542 3.320 -1.482) 4.436 6.442 ( -3.407 -3.416 0.647) 4.868 6.442 ( -3.407 3.416 0.647) 4.868 6.688 ( 3.859 -4.504 8.775) 10.592 6.688 ( 3.859 4.504 8.775) 10.592 6.841 ( -0.178 -2.442 -4.813) 5.400 6.841 ( -0.178 2.442 -4.813) 5.400 6.966 ( 2.492 -2.624 2.239) 4.255 6.966 ( 2.492 2.624 2.239) 4.255 7.408 ( 8.280 -2.178 -4.896) 9.863 7.408 ( 8.280 2.178 -4.896) 9.863 7.678 ( 2.524 -1.577 0.223) 2.985 7.678 ( 2.524 1.577 0.223) 2.985 7.932 ( -0.162 -2.493 -5.172) 5.744 7.932 ( -0.162 2.493 -5.172) 5.744 8.259 ( -1.343 -6.494 0.423) 6.645 8.259 ( -1.343 6.494 0.423) 6.645 8.651 ( -5.839 -2.271 1.937) 6.558 8.651 ( -5.839 2.271 1.937) 6.558 8.786 ( -0.828 -5.946 -0.023) 6.003 8.786 ( -0.828 5.946 -0.023) 6.003 9.111 ( -1.089 -1.069 0.691) 1.675 9.111 ( -1.089 1.069 0.691) 1.675 9.248 ( 0.563 -5.422 0.477) 5.471 9.248 ( 0.563 5.422 0.477) 5.471 9.644 ( -10.652 -4.395 -5.997) 12.990 9.644 ( -10.652 4.395 -5.997) 12.990 9.788 ( -13.996 -9.320 7.488) 18.406 9.788 ( -13.996 9.320 7.488) 18.406 10.782 ( -0.693 -6.072 0.590) 6.139 10.782 ( -0.693 6.072 0.590) 6.139 11.322 ( -6.209 -4.077 -1.669) 7.613 11.322 ( -6.209 4.077 -1.669) 7.613 16.411 ( -0.140 -0.541 0.069) 0.563 16.411 ( -0.140 0.541 0.069) 0.563 16.454 ( 0.226 -0.594 -0.158) 0.655 16.454 ( 0.226 0.594 -0.158) 0.655 18.371 ( 1.417 -4.396 -0.588) 4.656 18.371 ( 1.417 4.396 -0.588) 4.656 18.471 ( -1.146 -4.740 0.818) 4.945 18.471 ( -1.146 4.740 0.818) 4.945 21.603 ( 1.374 -1.747 -1.045) 2.456 21.603 ( 1.374 1.747 -1.045) 2.456 21.735 ( -0.406 -3.004 0.987) 3.188 21.735 ( -0.406 3.004 0.987) 3.188 27.252 ( 0.695 -1.352 -0.499) 1.600 27.252 ( 0.695 1.352 -0.499) 1.600 27.353 ( -0.563 -0.814 0.516) 1.116 27.353 ( -0.563 0.814 0.516) 1.116 36.080 ( 4.531 -1.927 0.343) 4.935 36.080 ( 4.531 1.927 0.343) 4.935 36.679 ( 5.880 -5.667 -0.085) 8.167 36.679 ( 5.880 5.667 -0.085) 8.167 38.406 ( -12.029 -13.189 -2.695) 18.053 38.406 ( -12.029 13.189 -2.695) 18.053 38.496 ( -15.877 -11.767 2.770) 19.955 38.496 ( -15.877 11.767 2.770) 19.955 ======================= Grid point 140 (73/108) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 11.375 -3.862 1.543) 12.111 2.801 ( 11.375 3.863 1.543) 12.111 3.271 ( 5.132 -4.352 -1.726) 6.947 3.271 ( 5.132 4.352 -1.726) 6.947 3.397 ( 4.640 -2.886 -2.896) 6.184 3.397 ( 4.640 2.886 -2.896) 6.184 3.598 ( 8.456 -5.126 2.897) 10.304 3.598 ( 8.456 5.126 2.897) 10.304 3.956 ( 10.606 -2.564 0.762) 10.938 3.956 ( 10.606 2.564 0.762) 10.938 4.107 ( 5.011 -2.531 -0.307) 5.623 4.107 ( 5.011 2.531 -0.307) 5.623 4.487 ( 10.640 -3.735 -4.263) 12.055 4.487 ( 10.640 3.735 -4.263) 12.055 4.640 ( 2.991 -6.966 4.478) 8.805 4.640 ( 2.991 6.966 4.478) 8.805 4.820 ( 0.409 -2.740 -3.212) 4.241 4.820 ( 0.409 2.740 -3.212) 4.241 4.991 ( 1.513 -1.762 6.058) 6.488 4.991 ( 1.513 1.762 6.058) 6.488 5.357 ( 6.511 -2.701 -3.327) 7.794 5.357 ( 6.511 2.701 -3.327) 7.794 5.542 ( -4.209 -2.207 -2.536) 5.387 5.542 ( -4.209 2.207 -2.536) 5.387 5.790 ( -2.922 -3.232 0.228) 4.363 5.790 ( -2.922 3.232 0.228) 4.363 6.037 ( -7.553 -6.868 2.280) 10.460 6.037 ( -7.553 6.868 2.280) 10.460 6.414 ( -0.362 -2.498 2.400) 3.483 6.414 ( -0.362 2.498 2.400) 3.483 6.688 ( -4.124 -4.380 4.642) 7.599 6.688 ( -4.124 4.380 4.642) 7.599 6.851 ( 1.229 -4.874 -2.306) 5.531 6.851 ( 1.229 4.874 -2.306) 5.531 7.028 ( 2.062 -1.206 3.948) 4.614 7.028 ( 2.062 1.206 3.948) 4.614 7.486 ( -1.189 -4.607 -3.867) 6.131 7.486 ( -1.189 4.607 -3.867) 6.131 7.681 ( 1.408 -0.755 0.477) 1.668 7.681 ( 1.408 0.755 0.477) 1.668 7.964 ( 4.443 -9.078 -7.630) 12.663 7.964 ( 4.443 9.078 -7.630) 12.663 8.277 ( 3.409 -2.758 -2.362) 4.981 8.277 ( 3.409 2.758 -2.362) 4.981 8.578 ( -2.575 -3.091 2.929) 4.976 8.578 ( -2.575 3.091 2.929) 4.976 8.726 ( -4.227 -4.874 -0.452) 6.467 8.726 ( -4.227 4.874 -0.452) 6.467 9.127 ( 0.930 -2.162 0.872) 2.510 9.127 ( 0.930 2.162 0.872) 2.510 9.251 ( -1.104 -7.017 0.913) 7.162 9.251 ( -1.104 7.017 0.913) 7.162 9.446 ( -7.865 -1.823 -3.695) 8.879 9.446 ( -7.865 1.823 -3.695) 8.879 9.620 ( -3.954 -3.385 4.002) 6.566 9.620 ( -3.954 3.385 4.002) 6.566 10.770 ( -1.189 -8.565 3.614) 9.372 10.770 ( -1.189 8.565 3.614) 9.372 11.202 ( -4.963 -2.835 -3.075) 6.491 11.202 ( -4.963 2.835 -3.075) 6.491 16.410 ( -0.066 -0.476 0.114) 0.494 16.410 ( -0.066 0.476 0.114) 0.494 16.456 ( 0.053 -0.247 -0.152) 0.295 16.456 ( 0.053 0.247 -0.152) 0.295 18.394 ( 1.061 -4.839 -0.390) 4.969 18.394 ( 1.061 4.839 -0.390) 4.969 18.452 ( -0.998 -5.406 0.485) 5.518 18.452 ( -0.998 5.406 0.485) 5.518 21.623 ( 0.897 -1.604 -0.367) 1.874 21.623 ( 0.897 1.604 -0.367) 1.874 21.721 ( -1.071 -1.955 0.349) 2.256 21.721 ( -1.071 1.955 0.349) 2.256 27.266 ( 0.719 -1.386 -0.237) 1.579 27.266 ( 0.719 1.386 -0.237) 1.579 27.343 ( -0.528 -1.214 0.197) 1.338 27.343 ( -0.528 1.214 0.197) 1.338 36.160 ( 3.231 -0.985 0.503) 3.415 36.160 ( 3.231 0.985 0.503) 3.415 36.778 ( 4.087 -5.175 -0.178) 6.596 36.778 ( 4.087 5.175 -0.178) 6.596 38.202 ( -8.081 -8.968 -0.432) 12.080 38.202 ( -8.081 8.968 -0.432) 12.080 38.244 ( -9.865 -8.577 0.294) 13.075 38.244 ( -9.865 8.577 0.294) 13.075 ======================= Grid point 142 (74/108) ======================= q-point: ( 0.46 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 8.085 -6.539 4.142) 11.193 3.010 ( 8.085 6.539 4.142) 11.193 3.306 ( 0.121 -4.686 -0.996) 4.793 3.306 ( 0.121 4.687 -0.996) 4.793 3.482 ( 3.177 -3.088 -0.629) 4.475 3.482 ( 3.177 3.088 -0.629) 4.475 3.700 ( 2.299 -2.296 2.168) 3.906 3.700 ( 2.299 2.296 2.168) 3.906 4.047 ( 2.324 -5.660 -1.295) 6.254 4.047 ( 2.324 5.660 -1.295) 6.254 4.304 ( 8.987 -2.807 0.400) 9.423 4.304 ( 8.987 2.807 0.400) 9.423 4.496 ( -11.534 -6.022 -9.586) 16.161 4.496 ( -11.534 6.022 -9.586) 16.161 4.667 ( 5.919 -1.943 -3.426) 7.110 4.667 ( 5.919 1.943 -3.426) 7.110 4.868 ( 3.374 -4.893 2.745) 6.546 4.868 ( 3.374 4.893 2.745) 6.547 4.979 ( -3.816 -1.761 4.777) 6.362 4.979 ( -3.816 1.761 4.777) 6.362 5.463 ( -2.343 -4.084 -4.252) 6.344 5.463 ( -2.343 4.084 -4.252) 6.344 5.538 ( 6.787 -6.291 3.414) 9.864 5.538 ( 6.787 6.291 3.414) 9.864 5.739 ( -0.813 -6.024 0.873) 6.141 5.739 ( -0.813 6.024 0.873) 6.141 5.926 ( -2.304 -0.979 3.217) 4.076 5.926 ( -2.304 0.979 3.217) 4.076 6.422 ( -0.511 -3.836 2.833) 4.796 6.422 ( -0.511 3.836 2.833) 4.796 6.628 ( -2.093 -6.743 2.748) 7.577 6.628 ( -2.093 6.744 2.748) 7.577 6.862 ( 0.846 -4.502 -0.631) 4.624 6.862 ( 0.846 4.502 -0.631) 4.624 7.054 ( -0.749 -0.525 3.136) 3.266 7.054 ( -0.749 0.525 3.136) 3.266 7.400 ( -3.675 -4.473 0.820) 5.847 7.400 ( -3.675 4.473 0.820) 5.847 7.761 ( 4.968 -5.971 -3.043) 8.342 7.761 ( 4.968 5.971 -3.043) 8.342 7.993 ( 1.253 -10.625 -8.928) 13.934 7.993 ( 1.253 10.625 -8.928) 13.934 8.321 ( 0.785 -5.533 -5.063) 7.541 8.321 ( 0.785 5.534 -5.063) 7.541 8.573 ( 0.528 -4.893 4.272) 6.517 8.573 ( 0.528 4.893 4.272) 6.517 8.652 ( -2.684 -3.153 0.635) 4.189 8.652 ( -2.684 3.153 0.634) 4.189 9.116 ( -1.049 -1.428 -0.773) 1.934 9.116 ( -1.049 1.428 -0.773) 1.934 9.231 ( -1.828 -3.989 1.672) 4.696 9.231 ( -1.828 3.989 1.672) 4.696 9.320 ( -2.758 -2.476 -1.890) 4.160 9.320 ( -2.758 2.476 -1.890) 4.160 9.627 ( 1.437 -1.173 2.501) 3.114 9.627 ( 1.437 1.173 2.501) 3.114 10.772 ( -0.030 -10.426 5.502) 11.788 10.772 ( -0.030 10.426 5.502) 11.788 11.113 ( -2.378 -5.784 -4.391) 7.642 11.113 ( -2.378 5.784 -4.391) 7.642 16.409 ( -0.063 -0.614 0.179) 0.642 16.409 ( -0.063 0.614 0.179) 0.642 16.456 ( 0.028 -0.108 -0.189) 0.220 16.456 ( 0.028 0.108 -0.190) 0.220 18.409 ( 0.545 -4.365 -0.209) 4.404 18.409 ( 0.545 4.365 -0.209) 4.404 18.437 ( -0.540 -5.113 0.249) 5.148 18.437 ( -0.540 5.113 0.249) 5.148 21.638 ( 0.719 -1.601 0.239) 1.771 21.638 ( 0.719 1.601 0.239) 1.771 21.701 ( -0.930 -1.219 -0.238) 1.551 21.701 ( -0.930 1.219 -0.238) 1.551 27.275 ( 0.222 -1.515 0.053) 1.532 27.275 ( 0.222 1.515 0.053) 1.532 27.336 ( -0.143 -1.801 -0.120) 1.811 27.336 ( -0.143 1.801 -0.120) 1.811 36.207 ( 1.257 -0.658 0.660) 1.565 36.207 ( 1.257 0.658 0.660) 1.565 36.833 ( 1.458 -5.190 -0.325) 5.401 36.833 ( 1.458 5.190 -0.325) 5.401 38.079 ( -4.252 -2.157 1.345) 4.954 38.079 ( -4.252 2.157 1.345) 4.954 38.126 ( -2.001 -1.798 -1.561) 3.110 38.126 ( -2.001 1.798 -1.561) 3.110 ======================= Grid point 144 (75/108) ======================= q-point: (-0.46 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -0.718 -5.073 5.982) 7.877 3.110 ( -0.718 5.073 5.982) 7.877 3.296 ( -0.705 -6.965 -5.258) 8.755 3.296 ( -0.705 6.965 -5.258) 8.755 3.500 ( -1.269 -3.956 4.820) 6.363 3.500 ( -1.269 3.956 4.820) 6.363 3.717 ( -1.516 -1.583 1.216) 2.507 3.717 ( -1.516 1.583 1.216) 2.507 4.055 ( -7.252 -2.554 -4.043) 8.687 4.055 ( -7.252 2.554 -4.043) 8.686 4.175 ( -6.859 -3.124 -2.001) 7.798 4.175 ( -6.859 3.124 -2.001) 7.798 4.425 ( 0.455 -3.461 -6.077) 7.008 4.425 ( 0.455 3.461 -6.077) 7.008 4.671 ( -3.776 -3.488 -3.140) 6.024 4.671 ( -3.776 3.488 -3.140) 6.024 4.903 ( -3.626 -3.537 2.773) 5.775 4.903 ( -3.626 3.537 2.773) 5.775 4.959 ( 2.589 -5.574 4.688) 7.729 4.959 ( 2.589 5.574 4.688) 7.729 5.367 ( -6.532 -2.259 0.239) 6.916 5.367 ( -6.532 2.259 0.239) 6.916 5.558 ( -1.388 -9.515 -0.656) 9.638 5.558 ( -1.387 9.515 -0.656) 9.638 5.789 ( 2.231 -4.109 -0.912) 4.764 5.789 ( 2.231 4.109 -0.912) 4.764 6.019 ( 8.294 -7.770 3.004) 11.755 6.019 ( 8.294 7.770 3.004) 11.755 6.405 ( -1.455 -8.791 3.003) 9.403 6.405 ( -1.455 8.791 3.003) 9.403 6.669 ( 4.886 -1.744 3.528) 6.274 6.669 ( 4.886 1.744 3.528) 6.274 6.894 ( 2.493 -2.856 0.530) 3.827 6.894 ( 2.493 2.856 0.530) 3.827 7.057 ( 0.811 -0.494 2.556) 2.727 7.057 ( 0.811 0.494 2.556) 2.727 7.378 ( 0.946 -3.814 1.262) 4.127 7.378 ( 0.946 3.814 1.262) 4.127 7.799 ( -0.114 -8.844 -7.104) 11.344 7.799 ( -0.114 8.844 -7.104) 11.344 7.957 ( -1.960 -6.507 -4.569) 8.188 7.957 ( -1.960 6.507 -4.569) 8.188 8.258 ( -4.446 -2.149 -6.075) 7.829 8.258 ( -4.446 2.149 -6.075) 7.829 8.589 ( -0.803 -2.888 4.566) 5.462 8.589 ( -0.803 2.888 4.566) 5.462 8.647 ( 1.844 -4.044 -0.010) 4.444 8.647 ( 1.844 4.044 -0.010) 4.444 9.125 ( 2.435 -4.317 -1.216) 5.103 9.125 ( 2.435 4.317 -1.216) 5.103 9.216 ( 0.491 -3.430 1.934) 3.968 9.216 ( 0.491 3.430 1.934) 3.968 9.295 ( -0.265 -2.332 -1.157) 2.616 9.295 ( -0.265 2.332 -1.157) 2.616 9.656 ( 0.686 -3.817 1.958) 4.344 9.656 ( 0.686 3.817 1.958) 4.344 10.817 ( 2.236 -9.701 6.861) 12.091 10.817 ( 2.236 9.701 6.861) 12.091 11.081 ( 0.944 -5.790 -5.761) 8.222 11.081 ( 0.944 5.790 -5.761) 8.222 16.408 ( -0.097 -0.629 0.174) 0.659 16.408 ( -0.097 0.629 0.174) 0.659 16.456 ( 0.093 -0.186 -0.185) 0.278 16.456 ( 0.093 0.186 -0.185) 0.278 18.410 ( -0.390 -1.612 -0.216) 1.672 18.410 ( -0.390 1.612 -0.216) 1.672 18.437 ( 0.378 -0.870 0.256) 0.983 18.437 ( 0.378 0.870 0.256) 0.983 21.651 ( 0.285 -1.700 0.408) 1.771 21.651 ( 0.285 1.700 0.408) 1.771 21.688 ( -0.108 -1.054 -0.407) 1.135 21.688 ( -0.108 1.054 -0.407) 1.135 27.274 ( -0.351 -2.077 0.050) 2.107 27.274 ( -0.351 2.077 0.050) 2.107 27.337 ( 0.260 -2.438 -0.117) 2.454 27.337 ( 0.260 2.438 -0.117) 2.454 36.212 ( -0.957 -1.726 0.668) 2.084 36.212 ( -0.957 1.726 0.668) 2.084 36.830 ( -1.645 -5.578 -0.333) 5.825 36.830 ( -1.645 5.578 -0.333) 5.825 38.060 ( 2.034 -2.865 0.716) 3.586 38.060 ( 2.034 2.865 0.716) 3.586 38.143 ( 4.138 -2.858 -0.932) 5.115 38.143 ( 4.138 2.858 -0.932) 5.115 ======================= Grid point 146 (76/108) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( -10.458 -1.498 5.597) 11.956 3.026 ( -10.458 1.498 5.597) 11.956 3.167 ( -9.811 -6.036 -7.105) 13.534 3.167 ( -9.811 6.036 -7.105) 13.534 3.461 ( -6.524 -7.247 -0.840) 9.787 3.461 ( -6.524 7.248 -0.840) 9.787 3.650 ( -4.765 -3.653 2.183) 6.388 3.650 ( -4.765 3.653 2.183) 6.388 3.834 ( -6.034 -3.771 2.176) 7.441 3.834 ( -6.034 3.771 2.176) 7.441 4.119 ( -4.951 -6.480 -3.613) 8.920 4.119 ( -4.951 6.480 -3.613) 8.920 4.371 ( -4.298 -3.187 2.616) 5.956 4.371 ( -4.298 3.187 2.616) 5.956 4.551 ( -5.329 -2.305 -3.799) 6.938 4.551 ( -5.329 2.305 -3.799) 6.938 4.831 ( -4.559 -4.815 2.055) 6.942 4.831 ( -4.559 4.815 2.055) 6.942 4.996 ( -0.567 -3.631 2.143) 4.255 4.996 ( -0.567 3.631 2.143) 4.255 5.241 ( -5.827 -1.248 -0.300) 5.966 5.241 ( -5.827 1.248 -0.300) 5.966 5.523 ( -2.188 -9.712 -0.738) 9.983 5.523 ( -2.188 9.712 -0.738) 9.983 5.828 ( 3.390 -8.250 -1.600) 9.062 5.828 ( 3.390 8.250 -1.600) 9.062 6.155 ( 3.647 -8.324 0.207) 9.090 6.155 ( 3.647 8.324 0.207) 9.090 6.413 ( 1.219 -4.642 2.687) 5.501 6.413 ( 1.219 4.643 2.687) 5.501 6.775 ( 2.720 -4.125 0.388) 4.956 6.775 ( 2.720 4.125 0.388) 4.956 6.958 ( 2.323 -2.512 4.263) 5.466 6.958 ( 2.323 2.512 4.263) 5.466 7.105 ( 2.258 -3.858 6.311) 7.733 7.105 ( 2.258 3.858 6.311) 7.733 7.456 ( 6.989 -6.330 -3.125) 9.934 7.456 ( 6.989 6.330 -3.125) 9.934 7.714 ( -3.869 -7.490 -10.513) 13.475 7.714 ( -3.869 7.490 -10.513) 13.475 7.871 ( -6.371 -2.905 0.434) 7.015 7.871 ( -6.371 2.905 0.434) 7.015 8.145 ( -3.518 -1.689 -3.781) 5.434 8.145 ( -3.518 1.689 -3.781) 5.434 8.610 ( 1.781 -2.594 2.621) 4.095 8.610 ( 1.781 2.594 2.621) 4.095 8.693 ( 2.527 -4.802 -0.468) 5.447 8.693 ( 2.527 4.802 -0.468) 5.447 9.146 ( -1.550 -2.517 0.916) 3.095 9.146 ( -1.550 2.518 0.916) 3.095 9.244 ( 0.062 -1.971 0.890) 2.164 9.244 ( 0.062 1.971 0.890) 2.164 9.341 ( 7.427 -4.475 -1.466) 8.794 9.341 ( 7.427 4.475 -1.466) 8.794 9.707 ( 5.219 -5.085 1.714) 7.486 9.707 ( 5.219 5.085 1.714) 7.486 10.905 ( 3.742 -6.211 7.492) 10.427 10.905 ( 3.742 6.211 7.492) 10.427 11.100 ( 3.117 -2.421 -6.963) 8.004 11.100 ( 3.117 2.421 -6.963) 8.004 16.406 ( -0.199 -0.546 0.099) 0.590 16.406 ( -0.199 0.546 0.099) 0.590 16.458 ( 0.139 -0.512 -0.137) 0.547 16.458 ( 0.139 0.512 -0.137) 0.547 18.398 ( -0.640 -2.707 -0.449) 2.818 18.398 ( -0.640 2.707 -0.449) 2.818 18.448 ( 0.596 -0.414 0.544) 0.907 18.448 ( 0.596 0.414 0.544) 0.907 21.647 ( -0.607 -1.434 -0.718) 1.714 21.647 ( -0.607 1.434 -0.718) 1.714 21.696 ( 0.708 -2.040 0.700) 2.270 21.696 ( 0.708 2.040 0.700) 2.270 27.265 ( -0.494 -2.154 -0.234) 2.223 27.265 ( -0.494 2.154 -0.234) 2.223 27.343 ( 0.287 -2.473 0.193) 2.497 27.343 ( 0.287 2.473 0.193) 2.497 36.175 ( -2.935 -3.136 0.517) 4.326 36.175 ( -2.935 3.136 0.517) 4.326 36.770 ( -4.245 -6.056 -0.192) 7.398 36.770 ( -4.245 6.056 -0.192) 7.398 38.160 ( 7.837 -3.534 -0.201) 8.600 38.160 ( 7.837 3.534 -0.201) 8.600 38.282 ( 10.119 -3.901 0.062) 10.845 38.282 ( 10.119 3.901 0.062) 10.845 ======================= Grid point 148 (77/108) ======================= q-point: (-0.31 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -18.569 -4.286 -4.660) 19.618 2.725 ( -18.569 4.286 -4.660) 19.618 2.906 ( -16.277 -6.160 7.273) 18.862 2.906 ( -16.277 6.160 7.273) 18.862 3.272 ( -8.248 -9.728 -7.908) 15.007 3.272 ( -8.248 9.728 -7.908) 15.007 3.562 ( -4.997 -0.498 -0.743) 5.076 3.562 ( -4.997 0.498 -0.743) 5.076 3.807 ( -3.227 -3.474 10.210) 11.258 3.807 ( -3.227 3.474 10.210) 11.258 3.933 ( -9.609 -11.450 -9.035) 17.467 3.933 ( -9.609 11.450 -9.035) 17.467 4.267 ( -5.347 -3.843 -1.836) 6.836 4.267 ( -5.347 3.843 -1.836) 6.836 4.476 ( -3.989 -3.639 6.035) 8.098 4.476 ( -3.989 3.639 6.035) 8.098 4.722 ( -7.669 -4.107 6.698) 10.979 4.722 ( -7.669 4.107 6.698) 10.979 4.984 ( -0.677 -3.220 -4.825) 5.840 4.984 ( -0.677 3.220 -4.825) 5.840 5.131 ( -3.746 -3.338 -1.925) 5.374 5.131 ( -3.746 3.338 -1.925) 5.374 5.490 ( -1.637 -8.418 4.145) 9.525 5.490 ( -1.637 8.418 4.145) 9.525 5.892 ( 2.802 -8.750 -2.169) 9.440 5.892 ( 2.802 8.750 -2.169) 9.440 6.165 ( -1.790 -8.363 -1.703) 8.720 6.165 ( -1.790 8.363 -1.703) 8.720 6.454 ( 1.020 -2.286 2.343) 3.428 6.454 ( 1.020 2.286 2.343) 3.428 6.766 ( -2.232 -4.271 -2.357) 5.365 6.766 ( -2.232 4.271 -2.357) 5.365 6.961 ( -2.963 -3.892 2.234) 5.378 6.961 ( -2.963 3.892 2.234) 5.378 7.174 ( -0.008 -0.972 8.780) 8.833 7.174 ( -0.008 0.972 8.780) 8.833 7.491 ( -4.366 -7.061 -7.931) 11.481 7.491 ( -4.366 7.061 -7.931) 11.481 7.634 ( -2.900 -6.706 -6.297) 9.645 7.634 ( -2.900 6.706 -6.297) 9.645 7.785 ( 2.649 -2.302 0.218) 3.516 7.785 ( 2.649 2.302 0.218) 3.516 8.136 ( 3.299 -1.864 -0.843) 3.882 8.136 ( 3.299 1.864 -0.843) 3.882 8.670 ( 3.066 -3.967 2.563) 5.630 8.670 ( 3.066 3.967 2.563) 5.630 8.731 ( 1.458 -2.961 -0.416) 3.326 8.731 ( 1.458 2.961 -0.416) 3.326 9.108 ( -1.220 -3.036 0.980) 3.415 9.108 ( -1.220 3.036 0.980) 3.415 9.234 ( 0.013 -2.280 0.044) 2.281 9.234 ( 0.013 2.280 0.044) 2.281 9.541 ( 12.056 -5.974 -1.464) 13.534 9.541 ( 12.056 5.974 -1.464) 13.534 9.898 ( 12.970 -5.715 2.942) 14.476 9.898 ( 12.970 5.715 2.942) 14.476 11.002 ( 3.292 -1.751 4.433) 5.793 11.002 ( 3.292 1.751 4.433) 5.793 11.145 ( 3.930 -2.308 -5.364) 7.039 11.145 ( 3.930 2.308 -5.364) 7.039 16.401 ( -0.326 -0.483 0.039) 0.584 16.401 ( -0.326 0.483 0.039) 0.584 16.460 ( 0.100 -1.089 -0.128) 1.101 16.460 ( 0.100 1.089 -0.128) 1.101 18.383 ( -0.634 -2.907 -0.769) 3.074 18.383 ( -0.634 2.908 -0.769) 3.074 18.462 ( 0.468 -0.500 0.999) 1.211 18.462 ( 0.468 0.500 0.999) 1.211 21.624 ( -1.304 -1.333 -1.570) 2.438 21.624 ( -1.304 1.333 -1.570) 2.438 21.711 ( 0.154 -3.052 1.513) 3.410 21.711 ( 0.154 3.052 1.513) 3.410 27.255 ( -0.300 -1.797 -0.534) 1.898 27.255 ( -0.300 1.797 -0.534) 1.898 27.349 ( 0.169 -2.084 0.551) 2.162 27.349 ( 0.169 2.084 0.551) 2.162 36.105 ( -4.171 -4.242 0.355) 5.960 36.105 ( -4.171 4.242 0.355) 5.960 36.666 ( -6.103 -6.404 -0.096) 8.847 36.666 ( -6.103 6.404 -0.096) 8.847 38.355 ( 11.845 -7.316 -1.268) 13.980 38.355 ( 11.845 7.316 -1.268) 13.980 38.545 ( 16.431 -6.971 1.343) 17.899 38.545 ( 16.431 6.971 1.343) 17.899 ======================= Grid point 150 (78/108) ======================= q-point: (-0.23 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -17.709 -14.179 -2.851) 22.865 2.339 ( -17.709 14.179 -2.851) 22.865 2.616 ( -14.881 -18.120 8.337) 24.886 2.616 ( -14.881 18.120 8.337) 24.886 3.071 ( -10.671 -12.282 -5.854) 17.291 3.071 ( -10.671 12.282 -5.854) 17.291 3.437 ( -6.675 -3.311 -8.198) 11.078 3.437 ( -6.675 3.311 -8.198) 11.078 3.638 ( -10.821 -9.372 -1.153) 14.362 3.638 ( -10.821 9.372 -1.153) 14.362 3.813 ( -4.243 -2.309 1.928) 5.202 3.813 ( -4.243 2.309 1.928) 5.202 4.166 ( -4.440 -8.998 -3.398) 10.594 4.166 ( -4.440 8.998 -3.398) 10.594 4.382 ( -8.335 -4.476 7.166) 11.869 4.382 ( -8.335 4.476 7.166) 11.869 4.636 ( -2.967 -0.968 8.956) 9.484 4.636 ( -2.967 0.968 8.956) 9.484 4.894 ( -4.039 -2.798 -8.322) 9.664 4.894 ( -4.039 2.798 -8.322) 9.664 5.128 ( 1.628 -5.198 2.305) 5.914 5.128 ( 1.628 5.198 2.305) 5.914 5.465 ( -4.071 -7.493 9.494) 12.761 5.465 ( -4.071 7.493 9.494) 12.761 5.913 ( 0.954 -6.284 -5.011) 8.094 5.913 ( 0.954 6.284 -5.011) 8.094 6.062 ( -8.955 -9.872 -2.272) 13.520 6.062 ( -8.955 9.872 -2.272) 13.520 6.449 ( -1.744 -6.965 1.728) 7.385 6.449 ( -1.744 6.965 1.728) 7.385 6.673 ( -7.840 -6.055 -2.802) 10.295 6.673 ( -7.840 6.055 -2.802) 10.295 6.904 ( -1.305 -2.620 -0.963) 3.082 6.904 ( -1.305 2.620 -0.963) 3.082 7.135 ( -4.862 -4.525 3.306) 7.419 7.135 ( -4.862 4.525 3.306) 7.419 7.371 ( -4.739 -6.981 2.354) 8.760 7.371 ( -4.739 6.981 2.354) 8.760 7.528 ( -2.467 -13.334 -10.593) 17.208 7.528 ( -2.467 13.334 -10.593) 17.208 7.900 ( 5.216 -3.485 0.784) 6.322 7.900 ( 5.216 3.485 0.784) 6.322 8.205 ( 1.641 -6.330 2.013) 6.842 8.205 ( 1.641 6.330 2.013) 6.842 8.712 ( 0.399 -2.604 0.146) 2.638 8.712 ( 0.399 2.604 0.146) 2.638 8.790 ( 5.078 -8.605 0.248) 9.995 8.790 ( 5.078 8.605 0.248) 9.995 9.144 ( 4.767 -4.258 1.601) 6.589 9.144 ( 4.767 4.258 1.601) 6.589 9.280 ( 5.304 -2.541 -0.592) 5.911 9.280 ( 5.304 2.541 -0.592) 5.911 9.774 ( 11.800 -6.056 -1.860) 13.393 9.774 ( 11.800 6.056 -1.860) 13.393 10.205 ( 14.910 -6.755 5.722) 17.340 10.205 ( 14.910 6.755 5.722) 17.340 11.049 ( 1.939 -6.591 -5.713) 8.935 11.049 ( 1.939 6.591 -5.713) 8.935 11.227 ( 5.102 -5.886 1.976) 8.036 11.227 ( 5.102 5.886 1.976) 8.036 16.395 ( -0.290 -0.732 0.017) 0.788 16.395 ( -0.290 0.732 0.017) 0.788 16.461 ( 0.071 -1.776 -0.226) 1.792 16.461 ( 0.071 1.776 -0.226) 1.792 18.369 ( -0.380 -2.902 -1.068) 3.116 18.369 ( -0.380 2.902 -1.068) 3.116 18.472 ( -0.107 -1.250 1.564) 2.005 18.472 ( -0.107 1.250 1.564) 2.005 21.581 ( -2.411 -1.227 -2.050) 3.394 21.581 ( -2.411 1.227 -2.050) 3.394 21.708 ( -1.224 -4.049 1.965) 4.664 21.708 ( -1.224 4.049 1.965) 4.664 27.251 ( 0.162 -1.228 -0.766) 1.456 27.251 ( 0.162 1.228 -0.766) 1.456 27.354 ( 0.085 -1.511 0.859) 1.740 27.354 ( 0.085 1.511 0.859) 1.740 36.022 ( -4.215 -4.461 0.383) 6.149 36.022 ( -4.215 4.461 0.383) 6.149 36.531 ( -7.514 -6.538 -0.175) 9.962 36.531 ( -7.514 6.538 -0.175) 9.962 38.604 ( 13.616 -13.342 -1.635) 19.133 38.604 ( 13.616 13.342 -1.635) 19.133 38.938 ( 22.487 -9.936 1.842) 24.653 38.938 ( 22.487 9.936 1.842) 24.653 ======================= Grid point 152 (79/108) ======================= q-point: (-0.15 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -10.832 -21.103 3.140) 23.927 2.051 ( -10.832 21.103 3.140) 23.927 2.415 ( -7.779 -24.118 5.424) 25.915 2.415 ( -7.779 24.118 5.424) 25.915 2.791 ( -15.201 -12.954 -4.203) 20.409 2.791 ( -15.201 12.954 -4.203) 20.409 3.244 ( -6.796 -5.862 -16.443) 18.733 3.244 ( -6.796 5.862 -16.443) 18.733 3.484 ( -5.794 -0.479 1.729) 6.065 3.484 ( -5.794 0.479 1.729) 6.065 3.711 ( -6.383 -2.464 0.163) 6.844 3.711 ( -6.383 2.464 0.163) 6.844 4.054 ( -5.414 -16.528 -2.533) 17.576 4.054 ( -5.414 16.528 -2.533) 17.576 4.236 ( -8.338 -8.325 8.511) 14.535 4.236 ( -8.338 8.325 8.511) 14.535 4.659 ( 2.130 -3.146 4.000) 5.517 4.659 ( 2.130 3.146 4.000) 5.517 4.829 ( 0.343 -6.556 -3.977) 7.676 4.829 ( 0.343 6.556 -3.977) 7.676 5.156 ( -0.970 -10.057 5.849) 11.674 5.156 ( -0.970 10.057 5.849) 11.674 5.407 ( -4.818 -3.805 9.279) 11.126 5.407 ( -4.818 3.805 9.279) 11.126 5.778 ( -15.427 -9.655 -3.656) 18.563 5.778 ( -15.427 9.655 -3.656) 18.563 5.879 ( -6.861 -7.520 -4.896) 11.296 5.879 ( -6.861 7.520 -4.896) 11.296 6.371 ( -8.227 -7.786 -2.602) 11.622 6.371 ( -8.227 7.786 -2.602) 11.622 6.507 ( -1.890 -8.494 0.288) 8.707 6.507 ( -1.890 8.494 0.288) 8.707 6.928 ( 3.151 -1.315 -1.945) 3.929 6.928 ( 3.151 1.315 -1.945) 3.929 7.074 ( -2.244 -6.448 1.370) 6.964 7.074 ( -2.244 6.448 1.370) 6.964 7.292 ( -4.837 -11.031 2.627) 12.328 7.292 ( -4.837 11.031 2.627) 12.328 7.487 ( 1.552 -11.020 -7.914) 13.656 7.487 ( 1.552 11.020 -7.914) 13.656 7.957 ( -0.150 -1.967 3.294) 3.839 7.957 ( -0.150 1.967 3.294) 3.839 8.199 ( -2.074 -7.958 0.975) 8.281 8.199 ( -2.074 7.958 0.975) 8.281 8.715 ( 0.286 -2.093 -1.920) 2.855 8.715 ( 0.286 2.093 -1.920) 2.855 8.891 ( 4.340 -7.923 0.621) 9.055 8.891 ( 4.340 7.923 0.621) 9.055 9.300 ( 9.574 -5.552 2.841) 11.426 9.300 ( 9.574 5.552 2.841) 11.426 9.443 ( 10.799 -3.697 -0.922) 11.451 9.443 ( 10.799 3.697 -0.922) 11.451 9.981 ( 10.138 -5.938 -3.797) 12.347 9.981 ( 10.138 5.938 -3.797) 12.347 10.439 ( 3.885 -7.225 8.325) 11.687 10.439 ( 3.885 7.225 8.325) 11.687 11.071 ( 3.423 -9.579 -7.343) 12.545 11.071 ( 3.423 9.579 -7.343) 12.545 11.364 ( 8.533 -7.162 1.677) 11.266 11.364 ( 8.533 7.162 1.677) 11.266 16.391 ( -0.048 -1.203 -0.001) 1.204 16.391 ( -0.048 1.203 -0.001) 1.204 16.463 ( 0.421 -2.308 -0.561) 2.412 16.463 ( 0.421 2.308 -0.561) 2.412 18.363 ( 0.254 -2.783 -1.021) 2.975 18.363 ( 0.254 2.783 -1.021) 2.975 18.465 ( -1.335 -2.172 1.964) 3.218 18.465 ( -1.335 2.172 1.964) 3.218 21.516 ( -3.258 -0.611 -1.702) 3.726 21.516 ( -3.258 0.611 -1.702) 3.726 21.676 ( -2.709 -4.518 1.765) 5.556 21.676 ( -2.709 4.518 1.765) 5.556 27.257 ( 0.794 -0.629 -0.835) 1.312 27.257 ( 0.794 0.629 -0.835) 1.312 27.359 ( -0.036 -0.990 0.960) 1.379 27.359 ( -0.036 0.990 0.960) 1.379 35.952 ( -2.907 -3.063 0.902) 4.319 35.952 ( -2.907 3.063 0.902) 4.319 36.373 ( -8.171 -6.458 -0.574) 10.430 36.373 ( -8.171 6.458 -0.574) 10.430 38.866 ( 13.005 -17.849 -0.480) 22.089 38.866 ( 13.005 17.849 -0.480) 22.089 39.419 ( 24.777 -8.099 -0.091) 26.067 39.419 ( 24.777 8.099 -0.091) 26.067 ======================= Grid point 154 (80/108) ======================= q-point: (-0.08 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -2.997 -24.976 6.734) 26.041 1.939 ( -2.997 24.976 6.734) 26.041 2.334 ( -4.132 -26.081 5.020) 26.879 2.334 ( -4.132 26.081 5.020) 26.879 2.501 ( -9.638 -16.437 -6.159) 20.025 2.501 ( -9.638 16.437 -6.159) 20.025 3.086 ( -2.333 -7.457 -17.343) 19.022 3.086 ( -2.333 7.457 -17.343) 19.022 3.392 ( -3.997 -4.833 -0.012) 6.272 3.392 ( -3.997 4.833 -0.012) 6.272 3.580 ( -5.870 -2.503 -1.055) 6.468 3.580 ( -5.870 2.503 -1.055) 6.468 3.970 ( -2.087 -24.297 1.791) 24.452 3.970 ( -2.087 24.297 1.791) 24.452 4.147 ( -4.020 -9.448 10.806) 14.906 4.147 ( -4.020 9.448 10.806) 14.906 4.724 ( 3.661 -5.774 -3.273) 7.580 4.724 ( 3.661 5.774 -3.273) 7.580 4.872 ( 3.598 -6.241 1.382) 7.335 4.872 ( 3.598 6.241 1.382) 7.335 5.121 ( -5.118 -14.040 4.852) 15.712 5.121 ( -5.118 14.040 4.852) 15.712 5.327 ( -7.323 -5.310 5.289) 10.478 5.327 ( -7.323 5.310 5.289) 10.478 5.477 ( -12.878 -11.305 0.176) 17.137 5.477 ( -12.878 11.305 0.176) 17.137 5.632 ( -9.403 -4.955 -8.268) 13.466 5.632 ( -9.403 4.955 -8.268) 13.466 6.285 ( -0.581 -1.765 3.337) 3.820 6.285 ( -0.581 1.765 3.337) 3.820 6.527 ( 2.140 -12.596 -1.606) 12.877 6.527 ( 2.140 12.596 -1.606) 12.877 6.976 ( 1.566 -4.096 -1.458) 4.621 6.976 ( 1.566 4.096 -1.458) 4.621 7.042 ( -0.950 -5.816 -0.701) 5.935 7.042 ( -0.950 5.816 -0.701) 5.935 7.209 ( -3.876 -11.263 0.507) 11.922 7.209 ( -3.876 11.263 0.507) 11.922 7.503 ( 1.755 -6.912 -4.743) 8.565 7.503 ( 1.755 6.912 -4.743) 8.565 7.943 ( -1.939 -0.837 4.944) 5.377 7.943 ( -1.939 0.837 4.944) 5.377 8.162 ( -1.129 -4.877 -0.910) 5.088 8.162 ( -1.129 4.877 -0.910) 5.088 8.708 ( -0.251 -4.050 -2.052) 4.547 8.708 ( -0.251 4.050 -2.052) 4.547 8.958 ( 2.214 -5.248 0.563) 5.723 8.958 ( 2.214 5.248 0.563) 5.723 9.502 ( 8.037 -6.253 3.563) 10.789 9.502 ( 8.037 6.253 3.563) 10.789 9.654 ( 10.258 -2.739 -1.569) 10.733 9.654 ( 10.258 2.739 -1.569) 10.733 10.148 ( 8.660 -6.272 -6.020) 12.271 10.148 ( 8.660 6.272 -6.020) 12.271 10.408 ( -7.522 -4.850 4.640) 10.081 10.408 ( -7.522 4.850 4.640) 10.081 11.101 ( -1.039 -4.527 3.427) 5.772 11.101 ( -1.039 4.527 3.427) 5.772 11.575 ( 12.085 -13.326 -4.204) 18.474 11.575 ( 12.085 13.326 -4.204) 18.474 16.392 ( 0.087 -1.743 0.089) 1.747 16.392 ( 0.087 1.743 0.089) 1.747 16.475 ( 1.106 -2.890 -1.372) 3.385 16.475 ( 1.106 2.890 -1.372) 3.385 18.372 ( 0.557 -2.304 0.434) 2.410 18.372 ( 0.557 2.304 0.434) 2.410 18.433 ( -2.237 -3.018 1.077) 3.908 18.433 ( -2.237 3.018 1.077) 3.908 21.457 ( -1.834 -0.874 0.074) 2.033 21.457 ( -1.834 0.874 0.074) 2.033 21.620 ( -3.163 -3.922 0.498) 5.063 21.620 ( -3.163 3.922 0.498) 5.063 27.275 ( 1.227 -0.230 -0.582) 1.377 27.275 ( 1.227 0.230 -0.582) 1.377 27.357 ( -0.480 -0.660 0.633) 1.033 27.357 ( -0.480 0.660 0.633) 1.033 35.917 ( -1.404 -0.978 2.341) 2.899 35.917 ( -1.404 0.978 2.341) 2.899 36.222 ( -5.962 -5.549 -1.699) 8.321 36.222 ( -5.962 5.549 -1.699) 8.321 39.095 ( 9.321 -19.891 2.126) 22.069 39.095 ( 9.321 19.891 2.126) 22.069 39.839 ( 16.514 -3.484 -5.111) 17.635 39.839 ( 16.514 3.484 -5.111) 17.635 ======================= Grid point 182 (81/108) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -5.692 0.000 -23.955) 24.622 1.119 ( 5.692 0.000 23.955) 24.622 1.516 ( 7.539 0.000 -33.532) 34.370 1.516 ( -7.539 0.000 33.532) 34.370 2.471 ( 7.700 0.000 -47.774) 48.390 2.471 ( -7.700 0.000 47.774) 48.390 3.190 ( -4.883 0.000 -5.540) 7.384 3.190 ( 4.883 0.000 5.540) 7.384 3.324 ( -5.889 0.000 -1.074) 5.986 3.324 ( 5.889 0.000 1.074) 5.986 3.660 ( 0.846 0.000 -11.471) 11.502 3.660 ( -0.846 0.000 11.471) 11.502 3.837 ( 0.781 0.000 -5.808) 5.861 3.837 ( -0.781 0.000 5.808) 5.861 4.056 ( -6.398 0.000 -2.686) 6.939 4.056 ( 6.398 0.000 2.686) 6.939 4.205 ( -7.565 0.000 1.228) 7.664 4.205 ( 7.565 0.000 -1.228) 7.664 4.281 ( -0.748 0.000 -5.763) 5.811 4.281 ( 0.748 0.000 5.763) 5.811 4.822 ( -1.490 0.000 -3.553) 3.853 4.822 ( 1.490 0.000 3.553) 3.853 5.397 ( 0.583 0.000 -1.041) 1.193 5.397 ( -0.583 0.000 1.041) 1.193 5.711 ( -2.274 0.000 -4.441) 4.990 5.711 ( 2.274 0.000 4.441) 4.990 5.858 ( 0.604 0.000 -7.120) 7.145 5.858 ( -0.604 0.000 7.120) 7.145 6.380 ( 1.266 0.000 -3.721) 3.930 6.380 ( -1.266 0.000 3.721) 3.930 6.863 ( -3.513 0.000 -9.602) 10.225 6.863 ( 3.513 0.000 9.602) 10.225 6.897 ( -2.285 0.000 -5.119) 5.606 6.897 ( 2.285 0.000 5.119) 5.606 7.211 ( -1.781 0.000 -2.877) 3.383 7.211 ( 1.781 0.000 2.877) 3.383 7.389 ( 0.751 0.000 -7.434) 7.472 7.389 ( -0.751 0.000 7.434) 7.472 7.867 ( 2.038 0.000 -4.170) 4.642 7.867 ( -2.038 0.000 4.170) 4.642 8.190 ( -5.979 0.000 0.362) 5.990 8.190 ( 5.979 0.000 -0.362) 5.990 8.341 ( -3.587 0.000 -5.220) 6.334 8.341 ( 3.587 0.000 5.220) 6.334 8.714 ( 4.359 0.000 -6.475) 7.805 8.714 ( -4.359 0.000 6.475) 7.805 9.027 ( -3.435 0.000 -1.028) 3.586 9.027 ( 3.435 0.000 1.028) 3.586 9.276 ( 3.240 0.000 -3.394) 4.692 9.276 ( -3.240 0.000 3.394) 4.692 9.772 ( -8.316 0.000 1.202) 8.403 9.772 ( 8.316 0.000 -1.202) 8.403 10.051 ( 8.722 0.000 -8.785) 12.380 10.051 ( -8.722 0.000 8.785) 12.380 10.472 ( -0.495 0.000 -5.819) 5.840 10.472 ( 0.495 0.000 5.819) 5.840 10.779 ( 1.972 0.000 -1.220) 2.319 10.779 ( -1.972 0.000 1.220) 2.319 11.495 ( 16.937 0.000 -13.386) 21.588 11.495 ( -16.937 0.000 13.386) 21.588 16.378 ( 1.134 0.000 -0.619) 1.292 16.378 ( -1.134 0.000 0.619) 1.292 16.653 ( 2.181 0.000 -0.970) 2.387 16.653 ( -2.181 0.000 0.970) 2.387 18.184 ( -1.479 0.000 -1.193) 1.900 18.184 ( 1.479 0.000 1.193) 1.900 18.430 ( -1.164 0.000 -1.858) 2.192 18.430 ( 1.164 0.000 1.858) 2.192 21.490 ( -0.281 0.000 -0.641) 0.700 21.490 ( 0.281 0.000 0.641) 0.700 21.720 ( -15.432 0.000 0.224) 15.434 21.720 ( 15.432 0.000 -0.224) 15.434 27.295 ( 0.076 0.000 -0.506) 0.512 27.295 ( -0.076 0.000 0.506) 0.512 27.348 ( -1.944 0.000 0.120) 1.948 27.348 ( 1.944 0.000 -0.120) 1.948 36.254 ( -5.472 0.000 -6.203) 8.272 36.254 ( 5.472 0.000 6.203) 8.272 36.893 ( -47.167 0.000 -4.452) 47.377 36.893 ( 47.167 0.000 4.452) 47.377 37.639 ( -0.830 0.000 -1.093) 1.373 37.639 ( 0.830 0.000 1.093) 1.373 39.851 ( -0.282 0.000 -0.994) 1.033 39.851 ( 0.282 0.000 0.994) 1.033 ======================= Grid point 184 (82/108) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 18.290 0.000 -21.823) 28.475 1.472 ( 17.042 0.000 21.075) 27.103 1.620 ( 5.676 0.000 30.793) 31.312 1.664 ( 18.900 0.000 -28.806) 34.453 2.531 ( 17.028 0.000 -46.251) 49.286 2.598 ( 5.689 0.000 36.729) 37.167 3.159 ( 2.942 0.000 -1.905) 3.505 3.236 ( -1.968 0.000 -0.908) 2.167 3.373 ( 10.453 0.000 6.222) 12.164 3.457 ( 7.357 0.000 0.727) 7.393 3.633 ( -3.759 0.000 4.532) 5.888 3.653 ( 4.200 0.000 -11.014) 11.788 3.942 ( 5.651 0.000 7.194) 9.148 3.990 ( 9.944 0.000 -0.608) 9.963 4.027 ( 8.311 0.000 -1.986) 8.544 4.048 ( -1.407 0.000 -4.666) 4.873 4.273 ( 2.189 0.000 -2.045) 2.996 4.281 ( 7.287 0.000 8.086) 10.885 4.461 ( 15.806 0.000 -2.545) 16.009 4.468 ( 15.452 0.000 6.091) 16.609 4.771 ( -1.250 0.000 -3.878) 4.075 4.854 ( 1.359 0.000 3.805) 4.040 5.460 ( 5.873 0.000 1.908) 6.176 5.469 ( 6.141 0.000 -0.728) 6.184 5.592 ( -6.522 0.000 -3.823) 7.560 5.708 ( -2.242 0.000 2.037) 3.029 5.857 ( 1.973 0.000 -3.500) 4.018 5.867 ( -0.870 0.000 5.490) 5.559 6.371 ( -0.827 0.000 -2.501) 2.634 6.373 ( -0.125 0.000 3.392) 3.394 6.754 ( -4.366 0.000 -13.287) 13.986 6.813 ( -3.341 0.000 -7.024) 7.777 6.910 ( -2.479 0.000 0.250) 2.491 6.959 ( 1.586 0.000 7.541) 7.706 7.169 ( -1.090 0.000 -0.548) 1.221 7.238 ( 0.185 0.000 1.068) 1.084 7.365 ( -0.751 0.000 -4.672) 4.732 7.394 ( -1.844 0.000 8.055) 8.263 7.821 ( -4.074 0.000 4.733) 6.245 7.860 ( -1.477 0.000 -5.125) 5.334 8.130 ( -1.342 0.000 4.335) 4.538 8.207 ( -7.408 0.000 -4.034) 8.436 8.283 ( -0.333 0.000 5.486) 5.496 8.400 ( 1.659 0.000 3.909) 4.246 8.648 ( -4.451 0.000 4.328) 6.209 8.761 ( 2.199 0.000 -7.741) 8.047 8.954 ( -3.466 0.000 0.387) 3.488 9.037 ( -3.967 0.000 -0.682) 4.025 9.226 ( -3.202 0.000 3.611) 4.826 9.337 ( 2.517 0.000 0.447) 2.557 9.530 ( -12.713 0.000 -1.242) 12.773 9.742 ( -9.760 0.000 0.577) 9.777 9.967 ( -3.441 0.000 7.596) 8.339 10.146 ( 2.833 0.000 -9.448) 9.863 10.376 ( -4.944 0.000 -7.776) 9.214 10.431 ( -6.387 0.000 5.860) 8.667 10.800 ( 4.152 0.000 2.757) 4.984 10.829 ( 3.620 0.000 -1.515) 3.924 11.291 ( -7.318 0.000 13.323) 15.201 11.729 ( 10.424 0.000 -17.908) 20.721 16.370 ( 0.044 0.000 0.410) 0.413 16.405 ( 1.615 0.000 -0.318) 1.646 16.622 ( -1.374 0.000 1.991) 2.419 16.673 ( -0.522 0.000 -0.613) 0.806 18.153 ( -1.225 0.000 -0.853) 1.493 18.217 ( 1.108 0.000 2.130) 2.401 18.410 ( 0.105 0.000 -2.710) 2.712 18.465 ( 1.641 0.000 1.448) 2.188 21.452 ( -2.846 0.000 -2.233) 3.618 21.509 ( 1.591 0.000 0.381) 1.636 21.552 ( 0.530 0.000 -3.543) 3.582 21.986 ( 10.406 0.000 -7.761) 12.981 27.293 ( -0.613 0.000 -0.230) 0.655 27.297 ( 0.079 0.000 0.231) 0.244 27.321 ( -0.208 0.000 -0.316) 0.378 27.384 ( 1.510 0.000 0.025) 1.510 36.050 ( -29.424 0.000 13.207) 32.252 36.144 ( -3.617 0.000 -2.438) 4.362 36.440 ( 5.622 0.000 10.481) 11.893 37.535 ( 6.928 0.000 9.778) 11.984 37.620 ( -0.837 0.000 -1.034) 1.331 37.707 ( 5.883 0.000 7.176) 9.279 39.755 ( -8.841 0.000 -0.916) 8.889 39.773 ( -8.332 0.000 0.901) 8.380 ======================= Grid point 185 (83/108) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 23.683 0.000 -15.377) 28.237 1.848 ( 13.286 0.000 22.010) 25.709 1.948 ( 16.643 0.000 23.590) 28.870 2.016 ( 24.587 0.000 -19.714) 31.514 2.836 ( 28.118 0.000 -32.449) 42.937 2.950 ( 16.741 0.000 17.184) 23.991 3.257 ( 5.431 0.000 -2.593) 6.018 3.265 ( 7.630 0.000 -1.462) 7.769 3.582 ( 0.785 0.000 0.667) 1.030 3.592 ( 9.072 0.000 0.356) 9.079 3.636 ( 7.957 0.000 1.605) 8.117 3.769 ( 10.807 0.000 -3.425) 11.337 3.987 ( 0.679 0.000 -0.331) 0.755 4.126 ( 8.440 0.000 -7.797) 11.490 4.153 ( 9.564 0.000 1.472) 9.677 4.268 ( 6.980 0.000 4.460) 8.283 4.329 ( 5.775 0.000 1.401) 5.943 4.492 ( 11.244 0.000 8.581) 14.144 4.705 ( 4.163 0.000 -1.918) 4.584 4.750 ( 5.814 0.000 16.099) 17.116 4.867 ( 16.021 0.000 -0.712) 16.037 4.976 ( 11.474 0.000 -4.696) 12.398 5.455 ( -2.189 0.000 -2.509) 3.329 5.532 ( -0.572 0.000 -3.941) 3.982 5.655 ( 9.596 0.000 -0.653) 9.618 5.752 ( 7.177 0.000 0.623) 7.204 5.870 ( -0.086 0.000 5.742) 5.743 5.920 ( 4.889 0.000 1.125) 5.017 6.344 ( -0.874 0.000 -2.644) 2.785 6.403 ( 1.587 0.000 1.975) 2.534 6.552 ( -10.397 0.000 -15.518) 18.679 6.719 ( -3.770 0.000 -5.075) 6.322 6.847 ( -2.115 0.000 -0.846) 2.278 6.970 ( -1.961 0.000 4.020) 4.473 7.160 ( -0.566 0.000 1.734) 1.824 7.232 ( -0.755 0.000 -0.732) 1.051 7.346 ( 0.350 0.000 -0.705) 0.788 7.347 ( -6.197 0.000 5.156) 8.061 7.744 ( -7.901 0.000 -6.803) 10.426 7.759 ( -3.661 0.000 6.176) 7.180 8.059 ( -5.261 0.000 2.235) 5.716 8.127 ( -3.005 0.000 4.969) 5.807 8.218 ( -7.258 0.000 5.488) 9.099 8.431 ( 0.102 0.000 3.371) 3.372 8.573 ( -3.743 0.000 -0.032) 3.743 8.701 ( -5.119 0.000 -6.489) 8.265 8.893 ( -3.395 0.000 2.558) 4.251 8.924 ( -5.008 0.000 -2.775) 5.725 9.177 ( -2.541 0.000 0.257) 2.555 9.282 ( -5.052 0.000 -3.698) 6.260 9.374 ( -5.273 0.000 -0.969) 5.361 9.525 ( -11.425 0.000 3.288) 11.888 9.889 ( -7.004 0.000 5.645) 8.996 10.099 ( -2.812 0.000 -10.718) 11.081 10.257 ( -4.854 0.000 -7.322) 8.784 10.284 ( -10.153 0.000 5.498) 11.546 10.913 ( 5.502 0.000 -2.610) 6.090 10.927 ( 6.321 0.000 2.660) 6.858 11.277 ( -2.286 0.000 21.540) 21.661 11.762 ( -0.072 0.000 -16.156) 16.156 16.378 ( 0.627 0.000 0.082) 0.632 16.434 ( 1.259 0.000 0.245) 1.283 16.605 ( -1.347 0.000 1.903) 2.331 16.626 ( -3.191 0.000 -2.331) 3.952 18.132 ( -0.495 0.000 -0.911) 1.037 18.238 ( -0.024 0.000 2.914) 2.914 18.418 ( 1.894 0.000 -3.418) 3.908 18.503 ( 1.751 0.000 1.369) 2.223 21.452 ( 2.394 0.000 0.506) 2.447 21.551 ( 2.416 0.000 -0.102) 2.418 21.588 ( 2.970 0.000 -2.150) 3.667 22.060 ( 0.650 0.000 -6.178) 6.212 27.269 ( -1.521 0.000 0.664) 1.659 27.296 ( -0.256 0.000 -0.262) 0.366 27.333 ( 1.256 0.000 -1.242) 1.766 27.406 ( 0.785 0.000 0.133) 0.796 35.767 ( -5.742 0.000 9.292) 10.923 36.099 ( -0.659 0.000 0.936) 1.145 36.606 ( 6.070 0.000 11.968) 13.420 37.522 ( -6.705 0.000 -0.971) 6.775 37.600 ( -0.688 0.000 -0.880) 1.117 37.706 ( -4.561 0.000 -0.136) 4.563 39.511 ( -15.184 0.000 -0.515) 15.192 39.543 ( -14.832 0.000 0.745) 14.851 ======================= Grid point 186 (84/108) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 25.068 0.000 -7.450) 26.152 2.184 ( 12.865 0.000 21.492) 25.048 2.417 ( 22.517 0.000 16.570) 27.956 2.455 ( 25.996 0.000 -14.754) 29.891 3.238 ( 8.834 0.000 4.002) 9.698 3.296 ( 23.586 0.000 -13.594) 27.223 3.398 ( 5.818 0.000 -6.074) 8.411 3.435 ( 11.446 0.000 -8.799) 14.437 3.656 ( 8.232 0.000 1.451) 8.358 3.756 ( 9.281 0.000 -0.885) 9.323 3.829 ( 10.142 0.000 0.233) 10.144 3.981 ( 7.360 0.000 0.147) 7.361 4.048 ( 7.254 0.000 0.428) 7.267 4.251 ( 6.380 0.000 -10.609) 12.379 4.318 ( 0.708 0.000 6.179) 6.219 4.383 ( 12.656 0.000 0.878) 12.687 4.499 ( 8.441 0.000 0.779) 8.476 4.756 ( 2.609 0.000 0.166) 2.615 4.771 ( 13.490 0.000 6.111) 14.809 4.888 ( 3.406 0.000 19.540) 19.835 5.115 ( 4.791 0.000 1.986) 5.187 5.143 ( 6.698 0.000 -6.549) 9.368 5.477 ( -2.429 0.000 -5.896) 6.376 5.533 ( 10.896 0.000 -0.776) 10.924 5.735 ( -1.369 0.000 1.531) 2.054 5.869 ( 1.029 0.000 -1.372) 1.715 5.971 ( 6.234 0.000 2.648) 6.773 6.017 ( 2.122 0.000 2.164) 3.031 6.237 ( -11.636 0.000 -9.451) 14.991 6.311 ( -0.963 0.000 -6.199) 6.274 6.475 ( 2.946 0.000 -0.520) 2.991 6.645 ( -1.291 0.000 -2.923) 3.196 6.869 ( 4.018 0.000 3.554) 5.364 6.948 ( -0.919 0.000 4.214) 4.313 7.154 ( -8.872 0.000 0.502) 8.886 7.155 ( -0.143 0.000 1.159) 1.168 7.255 ( -0.511 0.000 -0.110) 0.523 7.345 ( -3.247 0.000 -0.727) 3.327 7.602 ( -0.060 0.000 -2.592) 2.592 7.723 ( -2.486 0.000 4.553) 5.188 7.995 ( -5.122 0.000 9.871) 11.121 8.057 ( -2.694 0.000 1.051) 2.892 8.058 ( -9.596 0.000 0.905) 9.639 8.442 ( -0.162 0.000 3.093) 3.098 8.503 ( -2.810 0.000 -3.649) 4.605 8.611 ( -0.354 0.000 -2.888) 2.910 8.798 ( -6.099 0.000 -7.356) 9.556 8.834 ( -4.013 0.000 4.217) 5.822 9.122 ( -2.548 0.000 -2.852) 3.824 9.180 ( -6.753 0.000 -2.818) 7.317 9.270 ( -1.340 0.000 -1.350) 1.902 9.351 ( -7.387 0.000 5.040) 8.943 9.756 ( -7.735 0.000 3.829) 8.631 9.972 ( -6.262 0.000 -8.731) 10.745 10.090 ( -10.801 0.000 3.819) 11.457 10.112 ( -7.444 0.000 -6.408) 9.822 11.015 ( 5.607 0.000 -3.024) 6.371 11.048 ( 5.135 0.000 1.796) 5.440 11.298 ( -5.006 0.000 22.399) 22.951 11.630 ( -7.202 0.000 -13.555) 15.350 16.391 ( 0.641 0.000 -0.176) 0.665 16.453 ( 0.311 0.000 1.004) 1.051 16.551 ( -2.942 0.000 -3.072) 4.254 16.578 ( -1.981 0.000 1.491) 2.479 18.126 ( 0.209 0.000 -1.069) 1.090 18.238 ( -0.972 0.000 2.749) 2.916 18.455 ( 2.969 0.000 -3.152) 4.330 18.542 ( 1.612 0.000 1.454) 2.170 21.511 ( 2.553 0.000 2.448) 3.537 21.596 ( 2.102 0.000 -0.602) 2.186 21.635 ( 2.258 0.000 -1.295) 2.603 22.005 ( -3.604 0.000 -3.378) 4.940 27.243 ( -1.336 0.000 0.815) 1.565 27.285 ( -0.683 0.000 -0.743) 1.009 27.354 ( 1.319 0.000 -1.278) 1.836 27.418 ( 0.395 0.000 0.531) 0.662 35.794 ( 4.337 0.000 3.100) 5.331 36.118 ( 1.557 0.000 3.107) 3.475 36.754 ( 4.247 0.000 11.995) 12.725 37.308 ( -9.927 0.000 -11.499) 15.191 37.593 ( 0.475 0.000 -0.633) 0.792 37.662 ( -0.111 0.000 0.061) 0.126 39.173 ( -18.470 0.000 -0.245) 18.472 39.215 ( -18.214 0.000 0.554) 18.222 ======================= Grid point 187 (85/108) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 25.439 0.000 1.319) 25.473 2.514 ( 13.626 0.000 14.240) 19.709 2.906 ( 23.505 0.000 -9.281) 25.271 2.926 ( 22.948 0.000 11.240) 25.553 3.410 ( 8.080 0.000 0.786) 8.118 3.425 ( 0.416 0.000 -3.867) 3.889 3.546 ( 4.932 0.000 -11.814) 12.802 3.627 ( 13.448 0.000 -3.403) 13.872 3.853 ( 8.528 0.000 0.872) 8.573 3.956 ( 10.059 0.000 -0.540) 10.073 3.992 ( 3.648 0.000 2.365) 4.347 4.086 ( 5.216 0.000 -1.011) 5.313 4.211 ( 6.558 0.000 3.673) 7.517 4.224 ( -3.336 0.000 -3.935) 5.159 4.469 ( 10.900 0.000 1.215) 10.968 4.553 ( 3.706 0.000 -6.904) 7.835 4.675 ( 9.912 0.000 -2.340) 10.185 4.821 ( 4.247 0.000 -0.065) 4.248 5.030 ( 10.795 0.000 4.350) 11.639 5.052 ( 5.351 0.000 10.543) 11.823 5.116 ( -2.510 0.000 -2.403) 3.475 5.235 ( 4.287 0.000 -2.461) 4.943 5.399 ( -2.410 0.000 -7.500) 7.877 5.652 ( -5.107 0.000 4.162) 6.588 5.671 ( -16.104 0.000 -3.792) 16.545 5.768 ( 4.768 0.000 8.571) 9.808 5.998 ( -1.438 0.000 -6.264) 6.427 6.004 ( -0.926 0.000 0.391) 1.005 6.140 ( -0.403 0.000 5.394) 5.410 6.263 ( -1.520 0.000 -6.150) 6.335 6.506 ( -1.429 0.000 1.572) 2.124 6.653 ( 1.550 0.000 -4.484) 4.744 6.938 ( -4.251 0.000 -0.412) 4.270 6.992 ( 5.224 0.000 5.398) 7.512 7.055 ( 3.289 0.000 5.853) 6.714 7.182 ( 1.073 0.000 -0.058) 1.075 7.230 ( -2.360 0.000 0.805) 2.494 7.295 ( 4.631 0.000 -1.915) 5.011 7.668 ( 1.870 0.000 0.942) 2.094 7.680 ( -3.429 0.000 1.711) 3.832 7.877 ( -9.265 0.000 13.682) 16.524 7.884 ( -6.440 0.000 -1.804) 6.688 8.170 ( 12.478 0.000 -4.724) 13.342 8.442 ( -1.041 0.000 2.227) 2.459 8.446 ( -0.117 0.000 -1.981) 1.984 8.601 ( -1.770 0.000 -19.705) 19.785 8.719 ( 3.138 0.000 4.098) 5.162 8.767 ( -4.175 0.000 4.641) 6.242 9.037 ( -4.511 0.000 -1.138) 4.653 9.074 ( -0.675 0.000 -2.261) 2.359 9.261 ( -4.140 0.000 4.036) 5.781 9.298 ( 2.955 0.000 0.837) 3.071 9.625 ( -6.635 0.000 2.615) 7.132 9.796 ( -8.375 0.000 -6.625) 10.678 9.903 ( -8.768 0.000 1.554) 8.904 9.919 ( -9.803 0.000 -3.548) 10.425 11.100 ( 3.621 0.000 -3.470) 5.016 11.142 ( 3.215 0.000 2.845) 4.293 11.222 ( -10.056 0.000 17.186) 19.912 11.395 ( -11.264 0.000 -11.122) 15.830 16.401 ( 0.432 0.000 -0.471) 0.639 16.449 ( -1.230 0.000 1.405) 1.867 16.501 ( -0.991 0.000 -2.468) 2.660 16.541 ( -2.063 0.000 0.972) 2.281 18.131 ( 0.698 0.000 -1.242) 1.425 18.223 ( -1.350 0.000 2.267) 2.638 18.505 ( 3.002 0.000 -2.549) 3.938 18.576 ( 1.128 0.000 1.532) 1.902 21.561 ( 1.511 0.000 2.595) 3.003 21.625 ( 1.138 0.000 -1.064) 1.558 21.667 ( 1.372 0.000 -0.553) 1.479 21.913 ( -4.412 0.000 -1.820) 4.772 27.223 ( -0.913 0.000 0.647) 1.119 27.265 ( -0.970 0.000 -0.770) 1.239 27.375 ( 1.260 0.000 -1.186) 1.730 27.426 ( 0.091 0.000 0.868) 0.873 35.916 ( 6.677 0.000 0.281) 6.683 36.170 ( 1.991 0.000 3.839) 4.325 36.859 ( 2.050 0.000 11.016) 11.205 37.105 ( -5.461 0.000 -13.633) 14.686 37.622 ( 2.845 0.000 -0.419) 2.875 37.688 ( 2.616 0.000 0.388) 2.644 38.801 ( -18.780 0.000 -0.177) 18.781 38.849 ( -18.620 0.000 0.402) 18.624 ======================= Grid point 188 (86/108) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 12.987 0.000 5.868) 14.252 2.960 ( 21.499 0.000 7.865) 22.893 3.280 ( 16.021 0.000 -3.697) 16.442 3.338 ( 10.024 0.000 3.502) 10.618 3.419 ( 4.155 0.000 2.594) 4.899 3.513 ( 3.902 0.000 -12.277) 12.882 3.642 ( 7.934 0.000 1.551) 8.084 3.826 ( 6.366 0.000 -0.783) 6.414 3.939 ( -1.905 0.000 5.628) 5.941 4.026 ( 3.976 0.000 0.145) 3.979 4.085 ( 1.707 0.000 0.349) 1.743 4.154 ( -2.123 0.000 -1.175) 2.427 4.192 ( 5.939 0.000 -1.125) 6.045 4.333 ( 5.324 0.000 -0.475) 5.345 4.512 ( -2.946 0.000 -10.499) 10.905 4.652 ( 4.530 0.000 3.761) 5.887 4.852 ( 8.026 0.000 -2.405) 8.379 4.920 ( 4.764 0.000 -0.940) 4.856 5.062 ( 0.433 0.000 -5.008) 5.027 5.073 ( -4.462 0.000 0.155) 4.465 5.139 ( -6.097 0.000 -10.934) 12.519 5.270 ( 4.865 0.000 3.089) 5.763 5.366 ( 2.111 0.000 -3.895) 4.430 5.456 ( -4.819 0.000 9.939) 11.046 5.504 ( -9.814 0.000 2.968) 10.253 5.787 ( -3.615 0.000 6.196) 7.174 5.969 ( -0.744 0.000 -3.803) 3.875 5.986 ( -1.681 0.000 -0.259) 1.701 6.215 ( 4.863 0.000 10.108) 11.217 6.225 ( 0.214 0.000 -4.310) 4.316 6.424 ( -6.336 0.000 1.274) 6.463 6.603 ( -4.474 0.000 -4.188) 6.129 6.893 ( 1.461 0.000 -4.977) 5.187 7.039 ( -1.275 0.000 -2.061) 2.424 7.128 ( -2.499 0.000 6.756) 7.203 7.184 ( 3.919 0.000 3.640) 5.349 7.412 ( 7.656 0.000 -3.834) 8.562 7.424 ( 13.337 0.000 9.973) 16.653 7.604 ( -2.335 0.000 -3.198) 3.960 7.666 ( -0.872 0.000 0.599) 1.058 7.776 ( -5.462 0.000 13.281) 14.360 7.847 ( 2.335 0.000 3.353) 4.086 8.229 ( -2.644 0.000 -10.290) 10.625 8.368 ( -5.788 0.000 -9.639) 11.243 8.538 ( 2.539 0.000 -8.486) 8.858 8.582 ( 6.311 0.000 0.237) 6.316 8.744 ( 1.427 0.000 8.045) 8.171 8.756 ( -0.951 0.000 -5.853) 5.930 9.066 ( 4.978 0.000 4.577) 6.763 9.098 ( 2.606 0.000 -0.567) 2.667 9.215 ( 0.852 0.000 0.399) 0.941 9.376 ( 4.417 0.000 -1.181) 4.572 9.517 ( -5.223 0.000 2.290) 5.703 9.617 ( -6.784 0.000 -2.510) 7.234 9.730 ( -7.500 0.000 0.713) 7.534 9.782 ( -2.954 0.000 -0.584) 3.011 11.014 ( -15.231 0.000 14.220) 20.837 11.019 ( -11.621 0.000 -10.048) 15.363 11.217 ( 2.353 0.000 1.488) 2.784 11.231 ( 0.405 0.000 -3.146) 3.172 16.405 ( 0.246 0.000 -0.785) 0.822 16.426 ( -1.251 0.000 0.951) 1.571 16.485 ( -0.191 0.000 -0.977) 0.996 16.508 ( -1.494 0.000 0.542) 1.589 18.143 ( 1.035 0.000 -1.395) 1.737 18.203 ( -1.452 0.000 1.908) 2.398 18.551 ( 2.452 0.000 -2.084) 3.218 18.596 ( 0.339 0.000 1.584) 1.619 21.592 ( 0.740 0.000 2.271) 2.389 21.633 ( 0.196 0.000 -1.451) 1.464 21.689 ( 1.172 0.000 0.049) 1.173 21.826 ( -3.713 0.000 -1.093) 3.871 27.213 ( -0.339 0.000 0.341) 0.480 27.243 ( -1.003 0.000 -0.458) 1.103 27.395 ( 1.137 0.000 -1.110) 1.589 27.428 ( -0.265 0.000 1.005) 1.039 36.043 ( 6.081 0.000 -0.598) 6.111 36.210 ( 0.434 0.000 3.209) 3.238 36.918 ( 0.066 0.000 9.992) 9.992 36.993 ( -1.234 0.000 -12.344) 12.405 37.707 ( 6.073 0.000 -0.380) 6.085 37.770 ( 5.625 0.000 0.435) 5.641 38.447 ( -16.657 0.000 -0.266) 16.659 38.499 ( -16.703 0.000 0.373) 16.707 ======================= Grid point 189 (87/108) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 10.475 0.000 0.440) 10.484 3.209 ( -2.754 0.000 2.304) 3.591 3.432 ( 7.761 0.000 8.439) 11.465 3.487 ( 5.462 0.000 -2.370) 5.954 3.537 ( 3.845 0.000 -11.502) 12.127 3.561 ( 0.292 0.000 6.553) 6.560 3.790 ( 4.618 0.000 2.002) 5.033 3.831 ( -0.617 0.000 -1.983) 2.077 4.029 ( 5.206 0.000 1.097) 5.320 4.054 ( 1.168 0.000 6.783) 6.883 4.064 ( -2.499 0.000 1.225) 2.783 4.204 ( 5.582 0.000 1.577) 5.800 4.228 ( -5.181 0.000 -7.288) 8.942 4.300 ( -3.653 0.000 -9.005) 9.718 4.526 ( 7.246 0.000 -0.538) 7.266 4.655 ( -4.762 0.000 2.348) 5.309 4.916 ( -1.200 0.000 7.922) 8.013 4.949 ( -2.910 0.000 -7.098) 7.671 4.992 ( 4.427 0.000 -8.062) 9.197 5.034 ( -2.807 0.000 0.753) 2.906 5.136 ( 6.512 0.000 -2.481) 6.969 5.246 ( -4.155 0.000 -1.398) 4.384 5.360 ( -3.645 0.000 0.173) 3.649 5.370 ( -4.022 0.000 4.991) 6.409 5.560 ( 8.435 0.000 8.471) 11.954 5.719 ( -4.304 0.000 -5.669) 7.118 5.931 ( -2.012 0.000 5.633) 5.982 5.946 ( -1.073 0.000 -4.387) 4.516 6.232 ( 1.874 0.000 -3.177) 3.688 6.287 ( -4.104 0.000 2.206) 4.659 6.374 ( 4.049 0.000 7.096) 8.170 6.490 ( -4.850 0.000 -5.194) 7.106 6.928 ( 3.035 0.000 -2.816) 4.140 6.984 ( -2.958 0.000 -0.495) 2.999 7.134 ( 0.444 0.000 6.001) 6.017 7.185 ( -2.484 0.000 -2.445) 3.485 7.530 ( 5.002 0.000 -2.867) 5.765 7.588 ( -1.585 0.000 4.006) 4.308 7.623 ( 5.759 0.000 -10.337) 11.833 7.680 ( -3.438 0.000 13.492) 13.924 7.869 ( 12.914 0.000 12.048) 17.661 7.958 ( 5.469 0.000 8.611) 10.201 8.107 ( -5.293 0.000 -9.328) 10.725 8.170 ( -9.642 0.000 -15.731) 18.451 8.588 ( 3.171 0.000 -3.728) 4.894 8.605 ( -0.336 0.000 -0.154) 0.370 8.714 ( 1.105 0.000 -5.643) 5.750 8.771 ( -4.480 0.000 9.165) 10.202 9.095 ( 0.275 0.000 -1.878) 1.898 9.119 ( -1.386 0.000 2.072) 2.492 9.366 ( 9.811 0.000 -2.695) 10.174 9.406 ( 0.748 0.000 -3.018) 3.109 9.439 ( -3.459 0.000 2.438) 4.232 9.511 ( -6.360 0.000 2.223) 6.737 9.734 ( 6.119 0.000 3.056) 6.840 9.787 ( 2.141 0.000 -1.489) 2.608 10.759 ( -6.884 0.000 -10.938) 12.924 10.772 ( -11.680 0.000 11.535) 16.416 11.251 ( 1.219 0.000 -1.809) 2.181 11.252 ( 0.573 0.000 1.593) 1.693 16.406 ( 0.284 0.000 -0.992) 1.032 16.411 ( -0.633 0.000 0.999) 1.183 16.482 ( 0.106 0.000 -0.413) 0.426 16.488 ( -0.711 0.000 0.332) 0.785 18.161 ( 1.272 0.000 -1.534) 1.992 18.181 ( -1.413 0.000 1.687) 2.201 18.584 ( 1.605 0.000 -1.804) 2.414 18.600 ( -0.625 0.000 1.656) 1.770 21.611 ( 0.446 0.000 1.962) 2.012 21.625 ( -0.300 0.000 -1.729) 1.755 21.717 ( 1.653 0.000 0.469) 1.718 21.761 ( -2.592 0.000 -0.744) 2.696 27.213 ( 0.266 0.000 0.126) 0.295 27.224 ( -0.753 0.000 -0.168) 0.772 27.411 ( 0.926 0.000 -1.064) 1.411 27.423 ( -0.626 0.000 1.040) 1.214 36.145 ( 4.373 0.000 -1.047) 4.496 36.204 ( -2.080 0.000 1.936) 2.841 36.941 ( -1.216 0.000 9.681) 9.757 36.953 ( 1.079 0.000 -10.536) 10.591 37.854 ( 8.439 0.000 -0.704) 8.468 37.902 ( 6.010 0.000 0.884) 6.075 38.166 ( -10.024 0.000 -0.794) 10.055 38.210 ( -12.063 0.000 0.661) 12.081 ======================= Grid point 196 (88/108) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -4.874 15.256 -19.138) 24.955 1.275 ( 4.874 15.256 19.138) 24.955 1.736 ( 6.122 19.080 -31.274) 37.143 1.736 ( -6.122 19.080 31.274) 37.143 2.696 ( 4.933 20.401 -34.193) 40.121 2.696 ( -4.933 20.401 34.193) 40.121 3.127 ( -1.095 -11.651 -3.350) 12.172 3.127 ( 1.095 -11.651 3.350) 12.172 3.301 ( 1.303 1.083 -6.533) 6.749 3.301 ( -1.303 1.083 6.533) 6.749 3.481 ( 1.399 -12.656 -7.943) 15.007 3.481 ( -1.399 -12.656 7.943) 15.007 3.747 ( -5.599 -6.887 -3.515) 9.547 3.747 ( 5.599 -6.887 3.515) 9.547 4.018 ( -1.680 6.883 -6.564) 9.658 4.018 ( 1.680 6.883 6.564) 9.658 4.403 ( 0.058 11.310 -5.564) 12.605 4.403 ( -0.058 11.310 5.564) 12.605 4.501 ( -2.655 14.292 -0.357) 14.541 4.501 ( 2.655 14.292 0.357) 14.541 4.855 ( -1.113 5.143 -4.509) 6.930 4.855 ( 1.113 5.143 4.509) 6.930 5.370 ( -2.126 -3.068 -0.345) 3.749 5.370 ( 2.126 -3.068 0.345) 3.749 5.568 ( -0.981 -12.147 -4.729) 13.072 5.568 ( 0.981 -12.147 4.729) 13.072 5.939 ( 0.903 6.217 -7.769) 9.992 5.939 ( -0.903 6.217 7.769) 9.992 6.355 ( 0.828 -2.931 -3.229) 4.439 6.355 ( -0.828 -2.931 3.229) 4.439 6.763 ( -3.548 -7.575 -12.653) 15.168 6.763 ( 3.548 -7.575 12.653) 15.168 6.908 ( 0.231 -0.035 -8.238) 8.242 6.908 ( -0.231 -0.035 8.238) 8.242 7.226 ( 0.132 -0.528 -2.224) 2.290 7.226 ( -0.132 -0.528 2.224) 2.290 7.320 ( -1.018 -6.478 -5.346) 8.461 7.320 ( 1.018 -6.478 5.346) 8.461 7.729 ( 2.668 -14.649 -9.266) 17.538 7.729 ( -2.668 -14.649 9.266) 17.538 8.140 ( 0.755 -6.713 -3.452) 7.586 8.140 ( -0.755 -6.713 3.452) 7.586 8.192 ( -1.684 -3.590 -7.497) 8.481 8.192 ( 1.684 -3.590 7.497) 8.481 8.697 ( 2.989 -2.532 -6.462) 7.557 8.697 ( -2.989 -2.532 6.462) 7.557 9.047 ( -3.098 0.944 -2.680) 4.204 9.047 ( 3.098 0.944 2.680) 4.204 9.447 ( -3.387 11.109 -8.675) 14.496 9.447 ( 3.387 11.109 8.675) 14.496 9.805 ( -1.995 2.152 -1.885) 3.488 9.805 ( 1.995 2.152 1.885) 3.488 10.051 ( 6.082 1.180 -4.764) 7.815 10.051 ( -6.082 1.180 4.764) 7.815 10.396 ( 1.631 -5.521 -4.023) 7.023 10.396 ( -1.631 -5.521 4.023) 7.023 10.823 ( -3.586 6.326 -0.124) 7.273 10.823 ( 3.586 6.326 0.124) 7.273 11.622 ( 14.649 8.170 -19.621) 25.814 11.622 ( -14.649 8.170 19.621) 25.814 16.366 ( 0.671 -0.737 -0.525) 1.127 16.366 ( -0.671 -0.737 0.525) 1.127 16.605 ( 1.068 -4.156 -1.537) 4.558 16.605 ( -1.068 -4.156 1.537) 4.558 18.239 ( -2.719 4.710 -1.150) 5.559 18.239 ( 2.719 4.710 1.150) 5.559 18.437 ( -0.419 0.475 -1.950) 2.050 18.437 ( 0.419 0.475 1.950) 2.050 21.489 ( -0.827 -0.006 -0.947) 1.257 21.489 ( 0.827 -0.006 0.947) 1.257 21.664 ( -11.455 -4.699 -2.033) 12.547 21.664 ( 11.455 -4.699 2.033) 12.547 27.294 ( -0.090 -0.080 -0.422) 0.439 27.294 ( 0.090 -0.080 0.422) 0.439 27.346 ( -1.610 -0.070 -0.056) 1.613 27.346 ( 1.610 -0.070 0.056) 1.613 36.218 ( -5.658 -3.984 -5.162) 8.633 36.218 ( 5.658 -3.984 5.162) 8.633 36.370 ( 25.661 -26.102 -10.391) 38.050 36.370 ( -25.661 -26.102 10.391) 38.050 38.379 ( -10.043 45.264 -20.614) 50.741 38.379 ( 10.043 45.264 20.614) 50.741 39.860 ( -0.607 0.481 -3.538) 3.622 39.860 ( 0.607 0.481 3.538) 3.622 ======================= Grid point 198 (89/108) ======================= q-point: ( 0.08 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 13.298 12.439 -16.473) 24.555 1.588 ( 16.577 11.939 15.976) 25.934 1.795 ( 7.821 16.403 2.566) 18.353 1.865 ( 10.980 15.827 -3.407) 19.562 2.711 ( 9.584 18.074 -17.951) 27.217 2.809 ( 5.645 16.933 15.968) 23.949 3.108 ( 2.427 -8.047 -2.026) 8.646 3.226 ( 6.515 -2.443 -6.233) 9.342 3.310 ( 3.378 -17.077 -0.325) 17.411 3.422 ( 5.127 -1.307 1.758) 5.575 3.438 ( 5.451 1.702 7.223) 9.208 3.625 ( 5.201 -6.801 -4.946) 9.888 3.716 ( 5.031 -14.777 -5.983) 16.717 3.936 ( 11.004 -7.285 3.711) 13.709 4.023 ( 4.551 6.566 -0.526) 8.006 4.144 ( 6.537 2.554 5.980) 9.221 4.315 ( -3.083 15.341 0.270) 15.651 4.436 ( 2.023 9.165 2.381) 9.682 4.546 ( 9.813 8.305 -0.567) 12.868 4.654 ( 2.567 5.819 5.795) 8.604 4.856 ( 5.277 8.462 -1.334) 10.061 4.985 ( 10.224 13.796 -1.954) 17.282 5.328 ( -1.797 -10.363 -2.264) 10.759 5.421 ( 3.433 -5.088 -0.529) 6.161 5.607 ( 6.487 -0.667 -1.115) 6.615 5.654 ( 6.008 -6.220 5.416) 10.203 5.859 ( -4.672 6.037 0.091) 7.634 5.980 ( 1.384 5.581 -0.596) 5.781 6.337 ( -0.427 -4.049 0.586) 4.114 6.366 ( 0.320 -1.245 -0.541) 1.395 6.619 ( -5.875 -8.803 -14.533) 17.978 6.847 ( 0.523 -4.516 6.535) 7.961 6.886 ( -0.160 1.745 -6.381) 6.618 6.927 ( -0.746 -2.682 5.066) 5.780 7.172 ( -2.976 -1.689 -0.943) 3.549 7.238 ( -0.112 -1.438 -1.804) 2.309 7.274 ( -1.979 -5.985 0.294) 6.311 7.366 ( 0.810 -4.669 3.867) 6.116 7.678 ( -4.689 -13.173 6.034) 15.229 7.743 ( 0.601 -13.744 -2.901) 14.060 8.058 ( -4.827 -6.491 0.432) 8.100 8.119 ( -1.831 -2.334 2.802) 4.080 8.164 ( 0.194 -5.619 -0.249) 5.628 8.346 ( 5.238 -2.434 4.041) 7.049 8.663 ( -2.607 -0.211 4.264) 5.002 8.751 ( 4.393 -3.748 -6.726) 8.865 8.949 ( -5.500 -0.477 -2.919) 6.245 9.102 ( 1.418 2.513 1.132) 3.099 9.298 ( -7.098 9.239 -4.626) 12.535 9.495 ( -5.446 4.292 6.446) 9.468 9.555 ( -12.697 6.740 -3.403) 14.772 9.746 ( -9.865 -0.564 -0.628) 9.901 9.977 ( -2.535 0.664 5.451) 6.049 10.157 ( 2.008 2.231 -3.704) 4.767 10.262 ( -6.531 -3.797 2.266) 7.887 10.488 ( 1.677 2.127 -2.009) 3.372 10.774 ( 0.440 -1.334 -3.162) 3.460 10.910 ( 4.848 7.673 0.659) 9.100 11.399 ( -13.302 7.600 17.728) 23.431 11.766 ( 6.384 2.046 -18.634) 19.803 16.365 ( 0.345 -0.182 0.122) 0.408 16.388 ( 1.617 -1.321 -0.555) 2.161 16.588 ( -1.095 -3.325 1.895) 3.981 16.607 ( -0.571 -5.176 -1.429) 5.400 18.190 ( -1.756 3.612 -0.346) 4.032 18.293 ( 1.766 6.094 2.244) 6.730 18.412 ( -0.483 -0.090 -1.072) 1.179 18.472 ( 1.655 0.755 0.400) 1.862 21.452 ( -1.876 0.122 -2.131) 2.842 21.510 ( 1.282 0.041 -0.156) 1.292 21.549 ( 1.264 -0.135 -2.603) 2.897 21.889 ( 9.396 -8.504 -3.596) 13.173 27.278 ( -1.055 -0.694 0.049) 1.264 27.304 ( 0.332 -1.025 -0.605) 1.236 27.320 ( -0.587 1.029 0.479) 1.278 27.380 ( 1.408 -0.289 0.083) 1.439 35.943 ( -18.323 -6.967 12.508) 23.254 36.116 ( -3.138 -2.801 -1.807) 4.577 36.372 ( 7.044 -5.123 7.983) 11.815 36.751 ( 14.868 -34.380 -8.161) 38.336 38.103 ( -10.281 37.960 -7.733) 40.081 38.527 ( -5.977 39.207 20.784) 44.776 39.738 ( -10.011 -1.631 -1.390) 10.237 39.790 ( -9.189 0.821 2.583) 9.581 ======================= Grid point 199 (90/108) ======================= q-point: ( 0.15 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 21.448 6.379 -12.416) 25.590 1.949 ( 12.751 10.120 17.050) 23.573 2.067 ( 19.256 11.246 -3.050) 22.507 2.140 ( 17.518 10.765 2.821) 20.754 2.944 ( 17.957 7.145 -15.379) 24.699 3.049 ( 12.954 9.555 12.452) 20.351 3.176 ( 5.315 -6.319 -3.682) 9.041 3.373 ( 10.932 1.741 -2.461) 11.340 3.418 ( 7.787 -8.269 -5.032) 12.424 3.531 ( 5.763 -7.147 1.224) 9.262 3.663 ( 12.064 -0.055 6.765) 13.832 3.680 ( 5.720 -0.052 -7.151) 9.157 3.828 ( 6.707 -14.985 -7.083) 17.880 4.139 ( 6.676 -3.183 -1.620) 7.572 4.153 ( 7.564 1.627 5.702) 9.611 4.287 ( 5.882 -0.114 5.916) 8.343 4.354 ( 6.801 6.608 2.691) 9.857 4.546 ( 7.405 7.992 3.887) 11.568 4.703 ( 2.160 2.893 5.566) 6.634 4.768 ( 11.337 -0.376 -3.014) 11.737 4.950 ( 2.023 9.525 7.351) 12.200 5.184 ( 6.520 7.771 -3.977) 10.895 5.349 ( 8.305 -0.323 -6.486) 10.543 5.539 ( 8.223 -2.564 -2.832) 9.068 5.732 ( 6.160 3.152 0.059) 6.920 5.784 ( -2.303 5.174 3.951) 6.905 5.871 ( 11.259 3.711 5.175) 12.935 6.006 ( 2.229 4.313 0.031) 4.855 6.334 ( -1.944 -7.983 -3.116) 8.788 6.362 ( -1.386 0.197 -4.930) 5.125 6.449 ( -2.390 -3.605 -7.874) 8.983 6.810 ( -5.332 3.647 -3.054) 7.145 6.868 ( 1.379 2.384 1.725) 3.250 6.917 ( -1.499 -5.030 1.645) 5.500 7.124 ( -2.201 -5.520 2.028) 6.279 7.218 ( -0.943 -0.842 -2.214) 2.549 7.228 ( -3.005 -5.121 0.512) 5.959 7.370 ( -1.158 -3.546 1.295) 3.949 7.598 ( -4.774 -8.829 3.192) 10.532 7.741 ( -0.580 -7.710 3.264) 8.393 7.971 ( -4.870 -5.904 3.461) 8.400 8.086 ( -3.159 -2.264 3.528) 5.249 8.147 ( -2.271 -2.064 -0.304) 3.084 8.404 ( 0.168 -0.815 2.306) 2.451 8.623 ( -2.400 1.962 1.417) 3.408 8.731 ( -5.587 1.830 -5.105) 7.786 8.873 ( 0.342 -1.930 -3.133) 3.695 9.093 ( -4.687 9.813 2.071) 11.070 9.170 ( -3.650 2.646 -2.858) 5.338 9.254 ( -9.632 -4.314 -4.214) 11.364 9.398 ( -7.998 3.109 -2.774) 9.018 9.548 ( -10.456 0.039 4.320) 11.313 9.906 ( -6.682 0.095 3.910) 7.742 10.080 ( -7.569 2.819 -3.642) 8.860 10.149 ( -5.930 -3.838 1.217) 7.167 10.436 ( -5.734 8.072 -3.209) 10.408 10.828 ( 5.491 -4.876 -2.480) 7.751 11.020 ( 4.917 3.989 4.199) 7.597 11.260 ( -7.489 -0.507 16.768) 18.371 11.742 ( -1.980 -2.326 -15.023) 15.331 16.376 ( 0.706 -0.084 -0.081) 0.715 16.420 ( 1.561 -1.274 -0.098) 2.017 16.564 ( -2.155 -4.698 -0.890) 5.245 16.580 ( -1.310 -2.938 0.441) 3.247 18.167 ( -0.506 3.459 -0.331) 3.511 18.314 ( -0.655 6.252 2.611) 6.807 18.417 ( 1.669 -0.190 -1.944) 2.569 18.505 ( 1.551 0.191 0.381) 1.609 21.460 ( 2.405 0.809 0.347) 2.561 21.548 ( 2.503 -0.413 -0.670) 2.624 21.592 ( 2.862 0.583 -1.426) 3.251 21.981 ( 1.756 -7.304 -3.970) 8.497 27.254 ( -1.269 -0.938 0.288) 1.604 27.303 ( -0.264 -0.902 0.289) 0.983 27.324 ( 0.776 0.434 -1.040) 1.368 27.400 ( 0.652 -0.518 0.100) 0.839 35.778 ( -3.057 1.544 7.560) 8.300 36.084 ( -0.140 -1.578 1.164) 1.966 36.542 ( 6.645 -5.446 9.561) 12.855 36.912 ( 5.690 -29.107 -8.863) 30.954 37.926 ( -6.289 26.674 -1.667) 27.456 38.328 ( -16.334 33.236 6.827) 37.657 39.473 ( -15.960 -3.856 -0.819) 16.440 39.539 ( -16.206 -1.068 1.550) 16.315 ======================= Grid point 200 (91/108) ======================= q-point: ( 0.23 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 24.254 3.672 -5.971) 25.246 2.244 ( 11.163 6.112 18.383) 22.359 2.480 ( 24.800 4.593 -13.168) 28.452 2.560 ( 21.090 11.821 12.364) 27.155 3.180 ( 9.513 -6.343 -3.825) 12.057 3.294 ( 7.477 -5.500 -3.802) 10.031 3.396 ( 17.611 4.488 0.949) 18.199 3.530 ( 2.884 -0.265 -8.119) 8.620 3.557 ( 8.731 -6.558 -0.873) 10.955 3.685 ( 11.822 2.757 -3.981) 12.775 3.857 ( 11.703 -0.812 1.581) 11.837 3.896 ( 8.093 -11.140 -1.240) 13.825 3.958 ( 10.072 -3.196 -0.625) 10.586 4.240 ( 5.214 -2.399 -2.091) 6.109 4.329 ( 7.355 0.461 6.734) 9.983 4.416 ( 7.281 3.721 1.757) 8.363 4.532 ( 7.611 4.512 -0.026) 8.848 4.740 ( 10.972 -2.594 4.575) 12.167 4.770 ( 2.757 1.262 3.395) 4.552 4.941 ( 7.534 -4.380 -5.671) 10.398 5.004 ( 0.963 5.257 11.658) 12.824 5.212 ( 0.361 1.159 -8.142) 8.232 5.500 ( 3.588 4.206 -3.624) 6.610 5.658 ( 5.619 9.012 0.345) 10.626 5.771 ( -2.850 1.003 5.748) 6.494 5.845 ( 4.139 0.674 -2.365) 4.814 6.017 ( -1.736 -1.912 -8.242) 8.637 6.085 ( 4.942 5.964 0.894) 7.797 6.175 ( -2.277 -0.328 0.717) 2.410 6.378 ( 1.970 5.504 -2.238) 6.259 6.498 ( 4.618 2.485 0.976) 5.334 6.699 ( -3.735 4.720 -2.668) 6.584 6.903 ( 0.136 -4.514 3.685) 5.829 6.937 ( 3.965 4.336 1.179) 5.993 7.067 ( -4.319 -7.435 3.174) 9.165 7.176 ( -1.084 2.171 0.686) 2.522 7.209 ( 1.138 -2.501 -3.718) 4.623 7.336 ( -3.001 -2.529 -1.220) 4.110 7.565 ( 2.240 -2.768 3.117) 4.732 7.738 ( -1.529 -0.646 4.018) 4.348 7.894 ( -4.981 -7.755 7.677) 11.995 8.008 ( -6.282 -2.678 1.433) 6.978 8.080 ( -2.399 1.707 -1.290) 3.215 8.399 ( -0.278 -0.851 -0.989) 1.334 8.584 ( -1.905 4.036 -1.250) 4.635 8.610 ( -3.565 0.731 -2.760) 4.568 8.840 ( -4.058 2.441 -7.352) 8.746 8.911 ( -9.171 5.348 3.940) 11.324 9.120 ( -1.840 -0.084 -3.031) 3.547 9.180 ( -1.608 -0.434 1.297) 2.111 9.243 ( -3.814 -0.220 -4.532) 5.927 9.369 ( -8.666 -0.476 3.605) 9.398 9.762 ( -8.267 -0.306 2.522) 8.648 9.894 ( -9.252 -2.963 -3.722) 10.403 10.011 ( -8.279 -3.393 0.477) 8.960 10.257 ( -10.366 7.392 -4.315) 13.443 10.943 ( 6.060 -4.609 -0.019) 7.614 11.110 ( 2.360 1.228 4.000) 4.804 11.202 ( -5.348 -6.570 15.112) 17.325 11.594 ( -7.578 -3.684 -12.086) 14.734 16.390 ( 0.672 -0.103 -0.215) 0.713 16.444 ( 0.644 -0.845 0.732) 1.290 16.511 ( -2.059 -3.459 -2.416) 4.695 16.555 ( -1.645 -2.233 1.151) 3.003 18.164 ( 0.252 3.714 -0.601) 3.771 18.297 ( -1.607 5.205 2.020) 5.810 18.454 ( 2.562 -0.173 -1.725) 3.094 18.536 ( 1.411 -0.605 0.534) 1.625 21.518 ( 2.520 0.622 2.066) 3.317 21.595 ( 2.250 -0.290 -0.496) 2.323 21.637 ( 2.094 0.497 -1.235) 2.481 21.955 ( -2.471 -4.800 -2.549) 5.970 27.233 ( -0.969 -0.675 0.382) 1.241 27.294 ( -0.733 0.324 0.121) 0.810 27.339 ( 1.157 -1.043 -1.396) 2.091 27.410 ( 0.274 -0.799 0.423) 0.945 35.824 ( 4.532 3.014 2.626) 6.043 36.112 ( 1.922 -0.695 3.037) 3.661 36.696 ( 5.111 -5.142 9.747) 12.148 36.944 ( 1.912 -20.748 -10.168) 23.184 37.831 ( -3.312 18.370 0.296) 18.668 38.042 ( -12.263 26.424 -0.740) 29.140 39.125 ( -18.502 -4.918 -0.387) 19.149 39.191 ( -18.980 -2.764 0.861) 19.199 ======================= Grid point 201 (92/108) ======================= q-point: ( 0.31 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 22.109 2.102 2.808) 22.385 2.541 ( 14.927 2.608 12.511) 19.650 2.904 ( 21.483 0.511 -10.479) 23.908 3.024 ( 20.341 9.304 10.834) 24.854 3.322 ( 5.655 -6.772 -3.626) 9.538 3.422 ( 6.775 -1.814 1.052) 7.092 3.521 ( 2.672 -4.071 -12.187) 13.123 3.681 ( 8.130 -11.449 4.143) 14.640 3.746 ( 11.245 8.991 -2.291) 14.579 3.888 ( 8.868 0.793 -0.266) 8.908 3.997 ( 6.251 -7.797 -3.762) 10.678 4.093 ( 4.197 -2.817 1.246) 5.206 4.132 ( 9.688 -2.198 3.712) 10.606 4.312 ( 2.385 3.294 -2.828) 4.953 4.471 ( 5.348 2.417 8.340) 10.198 4.587 ( 4.468 2.522 -7.657) 9.217 4.656 ( 10.657 -0.125 -3.165) 11.118 4.844 ( 4.437 0.989 -0.744) 4.606 4.966 ( 6.598 -7.615 6.568) 12.027 5.033 ( 3.160 -2.705 -6.697) 7.884 5.088 ( 6.053 2.998 6.823) 9.601 5.188 ( 0.408 -3.617 -7.420) 8.264 5.455 ( -3.578 5.674 -5.602) 8.739 5.615 ( -11.935 -1.637 0.584) 12.061 5.706 ( -4.730 2.365 0.574) 5.319 5.835 ( -0.761 3.611 2.915) 4.703 5.975 ( -0.165 0.565 -3.766) 3.811 6.139 ( 0.938 7.874 5.755) 9.798 6.229 ( 2.655 9.454 4.707) 10.890 6.371 ( -1.210 7.923 -4.323) 9.107 6.548 ( -3.391 5.802 4.454) 8.062 6.678 ( 2.302 1.444 -2.450) 3.659 6.906 ( -3.864 -3.506 -2.039) 5.602 6.966 ( 3.697 -2.200 6.099) 7.463 7.127 ( 5.880 4.453 4.180) 8.478 7.188 ( 2.668 -0.064 -0.757) 2.775 7.217 ( -1.363 1.549 -1.954) 2.842 7.286 ( 3.083 -0.067 -2.052) 3.704 7.642 ( 0.567 -0.856 1.039) 1.461 7.712 ( -3.645 0.724 7.106) 8.019 7.832 ( -3.649 -3.488 6.152) 7.958 7.868 ( -6.306 -1.973 2.103) 6.934 8.140 ( 10.207 -1.777 -5.978) 11.962 8.407 ( 2.318 -2.243 -3.121) 4.488 8.503 ( -4.712 3.048 -3.366) 6.545 8.567 ( -1.230 -1.095 -7.930) 8.099 8.720 ( -2.108 1.436 1.781) 3.111 8.827 ( -3.315 2.922 1.642) 4.714 9.051 ( -2.567 1.230 -1.567) 3.249 9.114 ( -1.724 4.187 -1.518) 4.776 9.249 ( -4.864 -1.852 2.821) 5.920 9.279 ( 4.246 -1.705 0.647) 4.622 9.626 ( -6.118 -0.078 1.730) 6.358 9.697 ( -8.837 -6.464 -4.432) 11.812 9.839 ( -9.043 -3.724 0.934) 9.824 10.021 ( -11.374 4.418 -3.237) 12.624 11.051 ( 4.449 -4.239 0.737) 6.189 11.106 ( -8.727 -9.281 16.922) 21.181 11.162 ( 0.166 0.256 -2.709) 2.726 11.370 ( -10.246 -2.642 -9.379) 14.139 16.400 ( 0.459 -0.082 -0.427) 0.633 16.443 ( -1.144 -0.598 1.176) 1.746 16.479 ( -0.215 -1.882 -2.025) 2.773 16.525 ( -1.688 -1.598 0.791) 2.455 18.171 ( 0.663 3.899 -0.869) 4.049 18.271 ( -1.669 4.445 1.657) 5.029 18.499 ( 2.480 -0.716 -1.492) 2.982 18.562 ( 0.978 -1.321 0.766) 1.814 21.566 ( 1.534 0.471 2.221) 2.740 21.628 ( 1.236 0.102 -0.541) 1.353 21.665 ( 1.198 0.066 -0.843) 1.467 21.884 ( -3.658 -2.890 -1.531) 4.907 27.220 ( -0.510 -0.167 0.268) 0.600 27.276 ( -1.033 0.883 -0.129) 1.365 27.358 ( 1.239 -1.573 -1.233) 2.351 27.415 ( -0.001 -1.062 0.747) 1.299 35.942 ( 6.380 2.678 0.290) 6.925 36.169 ( 2.213 -0.209 3.601) 4.232 36.812 ( 3.027 -4.355 9.070) 10.507 36.932 ( 1.179 -12.360 -10.819) 16.469 37.795 ( -0.455 12.643 0.351) 12.656 37.869 ( -4.662 17.291 -1.333) 17.958 38.759 ( -18.216 -4.399 -0.126) 18.740 38.818 ( -18.620 -3.313 0.439) 18.918 ======================= Grid point 202 (93/108) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 11.687 -0.799 7.527) 13.924 2.994 ( 20.961 2.228 7.598) 22.407 3.203 ( 10.301 -3.857 -4.756) 11.983 3.356 ( 1.477 -2.643 0.573) 3.081 3.360 ( 8.614 -3.308 -1.464) 9.343 3.568 ( 7.786 2.204 -1.094) 8.165 3.632 ( 11.309 3.488 -0.696) 11.855 3.781 ( 1.730 -7.162 1.360) 7.492 3.922 ( 5.508 -3.049 1.087) 6.389 4.017 ( 3.309 3.532 2.744) 5.564 4.065 ( 1.997 -4.822 -3.120) 6.080 4.183 ( 8.381 3.438 -3.335) 9.654 4.291 ( 4.355 -2.206 1.787) 5.199 4.348 ( 1.932 11.792 0.709) 11.971 4.498 ( -2.260 -1.501 -8.554) 8.974 4.647 ( 2.859 -0.179 2.945) 4.109 4.839 ( 5.702 -2.416 -0.415) 6.207 4.924 ( 3.637 -0.126 -6.898) 7.799 5.026 ( 0.134 -3.776 -1.670) 4.131 5.038 ( 2.739 -2.608 -3.911) 5.440 5.073 ( -4.978 -1.715 -5.565) 7.661 5.290 ( 3.834 1.737 0.897) 4.303 5.402 ( 2.544 3.925 -1.928) 5.059 5.462 ( -3.623 2.898 1.048) 4.756 5.588 ( -6.764 5.304 6.493) 10.772 5.776 ( -4.532 -1.215 4.742) 6.671 5.945 ( -2.327 2.291 -2.205) 3.940 6.141 ( -3.643 7.170 5.985) 10.025 6.297 ( 1.361 10.179 3.440) 10.830 6.355 ( 2.315 9.786 -1.257) 10.134 6.432 ( -7.770 2.187 2.776) 8.536 6.669 ( -3.132 4.639 -1.332) 5.753 6.869 ( 1.272 -2.548 -5.054) 5.801 7.025 ( -1.372 -0.924 0.957) 1.911 7.110 ( -2.527 -1.211 3.748) 4.680 7.206 ( 0.422 1.795 -1.663) 2.483 7.367 ( 9.252 -2.673 0.239) 9.633 7.449 ( 12.026 1.535 4.841) 13.054 7.600 ( -2.794 -0.172 -2.329) 3.642 7.661 ( -1.442 -1.339 5.311) 5.664 7.757 ( -4.559 -1.221 8.909) 10.082 7.876 ( 3.560 2.924 3.846) 6.001 8.228 ( -0.583 0.125 -9.710) 9.729 8.341 ( -5.857 -3.720 -13.971) 15.599 8.522 ( 2.112 -0.129 -1.172) 2.418 8.576 ( 6.138 -0.386 0.386) 6.162 8.721 ( -0.317 -1.452 0.102) 1.490 8.779 ( -0.322 0.353 0.801) 0.933 9.083 ( 4.732 1.652 1.907) 5.363 9.116 ( 1.094 2.465 0.013) 2.697 9.186 ( -0.293 -2.762 -0.004) 2.778 9.366 ( 3.510 -1.520 -0.957) 3.943 9.493 ( -8.468 -3.044 1.358) 9.100 9.578 ( -0.561 -1.341 -2.638) 3.011 9.674 ( -7.519 -5.013 1.602) 9.178 9.826 ( -6.499 1.708 -0.462) 6.735 10.942 ( -12.451 -5.939 12.241) 18.443 11.015 ( -10.392 -0.459 -8.224) 13.260 11.152 ( 2.052 -5.003 2.346) 5.894 11.232 ( -0.484 -1.423 -3.501) 3.810 16.405 ( 0.262 -0.023 -0.664) 0.714 16.423 ( -1.000 -0.301 0.727) 1.273 16.475 ( 0.052 -0.969 -0.728) 1.213 16.498 ( -1.233 -1.030 0.441) 1.666 18.183 ( 0.952 3.928 -1.081) 4.183 18.245 ( -1.563 4.037 1.478) 4.574 18.539 ( 2.009 -1.348 -1.348) 2.769 18.579 ( 0.302 -1.810 0.967) 2.074 21.596 ( 0.806 0.438 1.958) 2.162 21.638 ( 0.179 0.519 -1.042) 1.178 21.684 ( 1.054 -0.504 -0.110) 1.173 21.809 ( -3.287 -1.728 -0.998) 3.845 27.215 ( 0.015 0.382 0.050) 0.386 27.255 ( -1.094 1.092 -0.047) 1.546 27.377 ( 1.173 -1.668 -1.090) 2.313 27.415 ( -0.340 -1.279 0.902) 1.601 36.063 ( 5.715 2.014 -0.493) 6.079 36.212 ( 0.666 0.130 2.949) 3.026 36.881 ( 1.023 -3.612 7.105) 8.036 36.921 ( 1.548 -5.835 -8.944) 10.791 37.813 ( 2.519 9.069 -0.730) 9.441 37.850 ( 2.559 8.021 0.319) 8.425 38.421 ( -15.672 -2.775 -0.212) 15.917 38.475 ( -16.035 -2.551 0.384) 16.242 ======================= Grid point 203 (94/108) ======================= q-point: ( 0.46 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 9.398 -2.235 4.324) 10.584 3.185 ( -3.809 -2.295 -3.737) 5.809 3.334 ( 5.281 -4.777 1.731) 7.328 3.376 ( 0.226 -4.398 1.422) 4.628 3.555 ( 11.207 -1.588 5.995) 12.809 3.681 ( 2.282 2.965 -3.249) 4.955 3.781 ( 1.390 -3.394 -0.661) 3.727 3.812 ( 1.365 2.718 -0.044) 3.041 3.977 ( 4.352 -4.030 -1.466) 6.110 4.070 ( -1.824 -0.065 5.418) 5.717 4.123 ( 4.241 4.626 1.826) 6.537 4.238 ( -5.975 1.246 -9.479) 11.274 4.324 ( 3.306 8.799 0.296) 9.404 4.375 ( 1.023 3.639 -1.760) 4.170 4.503 ( 5.977 1.029 -2.800) 6.680 4.621 ( -5.115 -3.130 1.031) 6.085 4.878 ( 0.380 -3.340 2.851) 4.408 4.905 ( -1.020 -0.827 -3.983) 4.193 5.040 ( -0.357 3.066 6.238) 6.960 5.056 ( 2.506 3.525 -8.683) 9.700 5.127 ( 6.425 -0.718 -1.770) 6.703 5.243 ( -4.505 0.280 -2.610) 5.214 5.369 ( 1.032 2.418 -5.949) 6.504 5.459 ( -9.178 6.338 9.630) 14.736 5.588 ( 7.612 3.625 5.658) 10.153 5.724 ( -4.018 1.669 -2.393) 4.965 5.940 ( 4.303 0.639 0.409) 4.370 6.056 ( -6.036 4.866 2.516) 8.152 6.286 ( -1.033 7.133 -2.372) 7.587 6.304 ( -4.271 3.214 1.287) 5.498 6.453 ( 4.593 7.147 5.592) 10.171 6.569 ( -5.222 6.813 -4.072) 9.501 6.897 ( 2.841 -3.145 -3.342) 5.398 6.955 ( -3.833 -2.846 0.558) 4.806 7.121 ( 0.753 -1.288 5.934) 6.119 7.173 ( -2.165 -1.117 -4.169) 4.829 7.512 ( 5.921 -2.003 -4.418) 7.654 7.559 ( -0.262 -1.826 1.430) 2.334 7.628 ( 2.225 -0.756 -1.984) 3.075 7.667 ( -3.391 -1.676 10.001) 10.692 7.857 ( 12.721 -0.361 10.289) 16.365 7.992 ( 5.274 3.510 8.081) 10.268 8.129 ( -4.862 2.143 -9.348) 10.752 8.141 ( -9.253 -2.476 -14.872) 17.690 8.556 ( 1.982 -1.200 -0.038) 2.317 8.599 ( -1.960 -1.023 -1.010) 2.431 8.724 ( 2.843 0.484 -3.240) 4.338 8.788 ( -3.279 -0.072 5.109) 6.071 9.117 ( 1.287 2.421 -0.643) 2.816 9.148 ( -0.126 2.665 -0.015) 2.668 9.290 ( 6.875 -5.854 -2.394) 9.342 9.371 ( -4.138 -5.455 2.493) 7.287 9.394 ( 2.329 -2.952 -2.260) 4.387 9.497 ( -6.960 -2.883 1.679) 7.718 9.694 ( 6.225 -3.241 0.400) 7.030 9.766 ( -1.280 -2.053 0.720) 2.525 10.760 ( -7.342 0.153 7.145) 10.246 10.784 ( -7.207 2.123 -6.379) 9.856 11.200 ( 1.364 -4.685 2.636) 5.545 11.223 ( -0.072 -3.519 -2.748) 4.465 16.407 ( 0.259 0.035 -0.771) 0.814 16.411 ( -0.505 -0.012 0.762) 0.914 16.475 ( 0.159 -0.695 -0.316) 0.780 16.481 ( -0.613 -0.719 0.265) 0.982 18.200 ( 1.197 3.885 -1.240) 4.250 18.221 ( -1.402 3.886 1.361) 4.349 18.567 ( 1.316 -1.809 -1.233) 2.554 18.581 ( -0.507 -1.978 1.116) 2.327 21.615 ( 0.533 0.490 1.694) 1.842 21.631 ( -0.386 0.568 -1.453) 1.607 21.709 ( 1.548 -0.800 0.435) 1.796 21.750 ( -2.381 -1.111 -0.713) 2.723 27.221 ( 0.525 0.821 -0.113) 0.981 27.235 ( -0.914 1.067 0.105) 1.408 27.395 ( 0.987 -1.597 -1.010) 2.132 27.408 ( -0.696 -1.457 0.963) 1.880 36.158 ( 4.010 1.311 -0.935) 4.321 36.211 ( -1.755 0.640 1.768) 2.572 36.911 ( 0.483 -2.917 2.351) 3.777 36.921 ( 0.463 -2.814 -3.073) 4.192 37.901 ( 6.303 4.382 -0.931) 7.733 37.938 ( 4.643 3.529 0.992) 5.915 38.161 ( -8.966 -0.546 -0.829) 9.021 38.203 ( -11.089 -0.757 0.731) 11.139 ======================= Grid point 210 (95/108) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -4.282 23.587 -11.434) 26.559 1.660 ( 4.282 23.587 11.434) 26.559 2.132 ( 3.904 20.579 -24.773) 32.442 2.132 ( -3.904 20.579 24.773) 32.442 2.653 ( -1.036 -23.471 -6.345) 24.335 2.653 ( 1.036 -23.471 6.345) 24.335 3.040 ( 2.015 -13.426 -7.711) 15.613 3.040 ( -2.015 -13.426 7.711) 15.613 3.286 ( -4.184 6.831 -0.554) 8.029 3.286 ( 4.184 6.831 0.554) 8.029 3.447 ( -4.333 7.132 -3.000) 8.868 3.447 ( 4.333 7.132 3.000) 8.868 3.751 ( -2.898 12.501 -12.628) 18.004 3.751 ( 2.898 12.501 12.628) 18.004 4.256 ( 1.281 12.623 -2.739) 12.980 4.256 ( -1.281 12.623 2.739) 12.980 4.571 ( 1.218 6.322 -10.368) 12.205 4.571 ( -1.218 6.322 10.368) 12.205 4.696 ( -3.956 7.762 -3.565) 9.413 4.696 ( 3.956 7.762 3.565) 9.413 5.046 ( -2.135 11.545 -4.480) 12.566 5.046 ( 2.135 11.545 4.480) 12.566 5.248 ( -9.407 -8.558 -1.600) 12.818 5.248 ( 9.407 -8.558 1.600) 12.818 5.359 ( -6.635 -7.003 0.576) 9.665 5.359 ( 6.635 -7.003 -0.576) 9.665 5.928 ( -0.078 -14.771 -6.850) 16.283 5.928 ( 0.078 -14.771 6.850) 16.283 6.314 ( 3.588 3.252 -2.148) 5.298 6.314 ( -3.588 3.252 2.148) 5.298 6.613 ( -2.790 -7.531 -13.268) 15.509 6.613 ( 2.790 -7.531 13.268) 15.509 6.911 ( 1.976 0.838 -8.371) 8.641 6.911 ( -1.976 0.838 8.371) 8.641 7.086 ( 2.718 -8.920 -3.833) 10.082 7.086 ( -2.718 -8.920 3.833) 10.082 7.228 ( -1.287 -4.308 -5.016) 6.736 7.228 ( 1.287 -4.308 5.016) 6.736 7.511 ( 3.003 -5.821 -5.703) 8.685 7.511 ( -3.003 -5.821 5.703) 8.685 8.029 ( 2.466 -3.974 -1.558) 4.930 8.029 ( -2.466 -3.974 1.558) 4.930 8.164 ( 0.987 -1.024 -4.563) 4.780 8.164 ( -0.987 -1.024 4.563) 4.780 8.669 ( 0.785 -0.202 -4.388) 4.462 8.669 ( -0.785 -0.202 4.388) 4.462 9.022 ( -2.985 -2.900 -2.303) 4.757 9.022 ( 2.985 -2.900 2.303) 4.757 9.592 ( -0.965 4.336 -6.956) 8.253 9.592 ( 0.965 4.336 6.956) 8.253 9.793 ( 4.702 -2.692 -3.844) 6.643 9.793 ( -4.702 -2.692 3.844) 6.643 10.129 ( -7.497 5.236 -1.386) 9.249 10.129 ( 7.497 5.236 1.386) 9.249 10.325 ( 6.523 -1.870 -3.493) 7.632 10.325 ( -6.523 -1.870 3.493) 7.632 11.008 ( 3.921 11.044 -3.764) 12.309 11.008 ( -3.921 11.044 3.764) 12.309 11.696 ( 9.906 -0.563 -16.589) 19.330 11.696 ( -9.906 -0.563 16.589) 19.330 16.370 ( 0.083 1.346 -0.606) 1.478 16.370 ( -0.083 1.346 0.606) 1.478 16.519 ( 0.611 -4.331 -1.910) 4.773 16.519 ( -0.611 -4.331 1.910) 4.773 18.331 ( -3.664 4.449 0.379) 5.776 18.331 ( 3.664 4.449 -0.379) 5.776 18.436 ( 1.029 -0.786 -2.091) 2.460 18.436 ( -1.029 -0.786 2.091) 2.460 21.493 ( -1.378 0.468 -1.537) 2.116 21.493 ( 1.378 0.468 1.537) 2.116 21.579 ( -5.580 -3.551 -3.156) 7.328 21.579 ( 5.580 -3.551 3.156) 7.328 27.292 ( -0.113 -0.129 -0.213) 0.273 27.292 ( 0.113 -0.129 0.213) 0.273 27.347 ( -0.901 0.129 -0.145) 0.922 27.347 ( 0.901 0.129 0.145) 0.922 36.024 ( 8.449 -8.909 -7.516) 14.396 36.024 ( -8.449 -8.909 7.516) 14.396 36.163 ( -0.279 -3.588 -3.833) 5.257 36.163 ( 0.279 -3.588 3.833) 5.257 39.055 ( -4.534 24.116 -19.722) 31.482 39.055 ( 4.534 24.116 19.722) 31.482 39.851 ( -0.465 -1.574 -5.480) 5.721 39.851 ( 0.465 -1.574 5.480) 5.721 ======================= Grid point 212 (96/108) ======================= q-point: ( 0.08 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 6.208 22.592 -10.073) 25.503 1.897 ( 13.979 18.932 11.076) 26.010 2.151 ( 8.038 16.985 -22.819) 29.560 2.182 ( 0.782 17.780 20.642) 27.255 2.682 ( 5.840 -21.880 -8.392) 24.151 2.785 ( 8.932 -18.453 8.031) 22.018 2.982 ( -0.390 -11.816 0.519) 11.834 3.175 ( 8.353 -18.646 -3.974) 20.815 3.260 ( 2.024 13.550 2.047) 13.852 3.389 ( 4.768 -1.100 4.199) 6.448 3.443 ( 6.674 11.786 -5.472) 14.608 3.597 ( 9.104 4.928 0.262) 10.356 3.694 ( 1.672 11.690 -10.845) 16.034 3.889 ( 6.620 7.433 8.741) 13.247 4.201 ( -4.129 4.445 1.650) 6.287 4.295 ( 2.957 11.449 -0.324) 11.829 4.550 ( 0.347 8.270 -5.588) 9.987 4.599 ( 0.260 4.440 7.859) 9.030 4.696 ( 5.299 10.508 0.613) 11.785 4.762 ( -2.128 6.578 9.151) 11.470 5.022 ( 3.960 7.806 -1.656) 8.909 5.171 ( 4.730 -0.127 -2.188) 5.213 5.223 ( 3.422 0.996 -1.510) 3.871 5.329 ( 11.260 1.733 -2.660) 11.699 5.526 ( 8.074 -8.242 1.127) 11.592 5.550 ( 18.201 -2.899 2.232) 18.565 5.924 ( 2.691 -13.549 -4.447) 14.512 5.950 ( 0.243 -7.913 3.366) 8.603 6.233 ( -4.288 -0.023 -1.621) 4.584 6.367 ( 2.818 3.881 -3.333) 5.841 6.474 ( -5.343 -5.939 -11.065) 13.647 6.701 ( 1.297 -9.785 7.295) 12.274 6.888 ( -2.564 -0.437 6.059) 6.594 6.923 ( 1.234 2.541 -3.943) 4.851 7.043 ( -2.987 -8.002 1.915) 8.754 7.124 ( 2.508 -6.595 -4.487) 8.362 7.205 ( 0.523 -3.528 -1.644) 3.927 7.290 ( 1.659 -3.305 6.850) 7.784 7.440 ( -5.364 -7.084 8.132) 12.045 7.541 ( 1.540 -6.893 -4.084) 8.158 7.982 ( -2.578 -1.171 1.526) 3.217 8.068 ( 1.610 -4.805 -1.054) 5.176 8.129 ( 0.406 2.114 -0.893) 2.330 8.284 ( 6.932 -4.176 -1.231) 8.186 8.662 ( -0.620 0.172 1.900) 2.006 8.687 ( 2.085 -1.452 -2.443) 3.525 8.935 ( -4.952 -0.425 -2.419) 5.527 9.071 ( 1.250 -5.128 1.454) 5.475 9.449 ( -8.658 5.657 -2.767) 10.706 9.555 ( -12.195 4.578 1.206) 13.082 9.621 ( -6.900 -2.375 2.927) 7.863 9.724 ( -10.391 -1.749 -4.763) 11.564 9.999 ( -4.434 3.003 0.653) 5.395 10.140 ( -3.683 -2.858 0.791) 4.729 10.360 ( 4.350 8.367 2.787) 9.833 10.509 ( 9.789 -0.296 -1.719) 9.943 10.828 ( -11.217 8.091 1.834) 13.952 11.058 ( -1.881 5.081 3.181) 6.283 11.505 ( -12.591 4.226 10.056) 16.659 11.750 ( 1.460 -4.175 -15.383) 16.006 16.372 ( 0.473 0.873 -0.651) 1.188 16.382 ( 0.974 1.170 -0.378) 1.569 16.503 ( -1.287 -4.447 0.627) 4.672 16.521 ( -0.109 -4.079 -0.465) 4.107 18.272 ( -2.290 4.414 0.968) 5.066 18.395 ( -1.324 -1.044 1.498) 2.256 18.400 ( 2.674 3.955 0.112) 4.776 18.485 ( 2.126 0.131 -0.897) 2.311 21.461 ( -0.418 0.854 -1.967) 2.185 21.503 ( 0.715 -0.832 -1.837) 2.140 21.559 ( 2.817 1.448 0.069) 3.168 21.724 ( 6.859 -7.595 0.717) 10.259 27.269 ( -1.472 -0.211 -0.037) 1.488 27.283 ( -0.898 -0.941 -0.252) 1.325 27.342 ( 0.259 1.124 0.290) 1.189 27.373 ( 1.104 -0.476 0.222) 1.223 35.873 ( -6.757 -0.091 7.377) 10.004 36.035 ( -1.254 -5.709 -0.679) 5.885 36.273 ( 6.908 -4.693 3.935) 9.232 36.312 ( 12.348 -12.002 -8.041) 19.005 38.791 ( -13.573 29.699 -12.832) 35.084 39.079 ( -9.164 18.018 14.248) 24.731 39.691 ( -13.192 -2.790 0.776) 13.506 39.774 ( -11.201 -2.936 4.781) 12.528 ======================= Grid point 213 (97/108) ======================= q-point: ( 0.15 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 14.406 15.819 -9.161) 23.275 2.201 ( 9.983 13.826 8.237) 18.938 2.301 ( 15.809 11.722 -20.512) 28.426 2.385 ( 13.908 13.294 21.290) 28.695 2.803 ( 9.876 -17.851 -9.286) 22.415 2.994 ( 6.043 -10.684 0.091) 12.275 3.054 ( 9.336 -12.547 9.277) 18.184 3.306 ( 5.690 -19.628 -2.908) 20.642 3.396 ( 10.906 12.330 2.307) 16.622 3.541 ( 7.871 -5.035 2.131) 9.584 3.602 ( 10.296 7.279 -4.570) 13.412 3.733 ( 6.368 13.445 -7.734) 16.767 3.782 ( 9.389 3.680 -1.425) 10.185 4.066 ( 7.958 1.029 4.400) 9.152 4.168 ( 1.055 -1.577 5.800) 6.103 4.381 ( 6.067 8.746 1.134) 10.705 4.564 ( 2.659 8.371 -3.144) 9.328 4.625 ( -0.070 -1.098 6.764) 6.853 4.759 ( 1.389 2.652 -0.194) 3.000 4.831 ( 6.228 6.195 0.609) 8.806 5.036 ( -0.710 4.391 2.877) 5.297 5.279 ( 3.301 3.442 -6.053) 7.706 5.409 ( 13.844 5.206 1.203) 14.840 5.575 ( 13.465 1.793 -5.263) 14.568 5.684 ( 7.446 -3.322 5.340) 9.747 5.884 ( 1.682 -1.896 -3.768) 4.541 5.946 ( 9.952 -3.452 5.517) 11.891 6.045 ( 6.914 0.717 -2.980) 7.563 6.135 ( -3.405 -2.649 -7.210) 8.402 6.400 ( 3.885 -2.097 -2.302) 4.979 6.415 ( 3.449 3.662 -2.281) 5.524 6.726 ( 0.196 -10.852 1.574) 10.967 6.851 ( -3.404 0.881 5.000) 6.113 6.942 ( 1.396 2.827 1.823) 3.641 6.977 ( -4.043 -6.865 0.080) 7.967 7.148 ( 1.908 -2.163 -4.713) 5.526 7.235 ( 3.250 -1.788 -1.965) 4.197 7.293 ( -3.064 1.686 2.307) 4.190 7.411 ( -1.953 -10.685 15.993) 19.333 7.565 ( 2.953 -8.222 -3.258) 9.324 7.933 ( -3.148 1.341 0.656) 3.484 8.063 ( -2.266 -2.726 0.163) 3.549 8.151 ( 1.657 3.909 -3.312) 5.385 8.380 ( 2.460 -2.883 0.038) 3.790 8.655 ( -0.911 1.556 2.370) 2.978 8.738 ( 3.092 -2.381 -4.774) 6.166 8.819 ( -4.492 0.236 -2.152) 4.986 9.075 ( -2.102 -8.748 -0.125) 8.998 9.261 ( -8.894 4.653 -2.637) 10.378 9.292 ( -11.118 6.897 0.299) 13.087 9.456 ( -11.011 1.188 -1.943) 11.244 9.489 ( -9.946 -5.031 0.692) 11.167 9.893 ( -7.091 1.135 -0.526) 7.201 10.055 ( -5.346 -4.620 -2.471) 7.486 10.310 ( -12.567 15.311 7.242) 21.090 10.587 ( -6.625 7.894 -1.013) 10.355 10.723 ( 5.888 -5.883 -2.804) 8.783 10.985 ( -6.956 -7.691 15.689) 18.806 11.336 ( -5.884 8.162 -0.461) 10.072 11.662 ( -4.616 -6.094 -12.041) 14.263 16.380 ( 0.629 0.566 -0.639) 1.060 16.405 ( 1.457 0.265 -0.465) 1.552 16.475 ( -1.468 -3.866 -0.316) 4.147 16.514 ( -0.586 -3.668 0.426) 3.739 18.250 ( -0.440 4.644 0.807) 4.734 18.385 ( -0.170 -1.201 0.673) 1.387 18.440 ( 0.942 3.990 0.890) 4.195 18.510 ( 0.995 0.167 -1.025) 1.439 21.481 ( 2.406 1.335 -0.180) 2.757 21.533 ( 2.488 -1.109 -1.256) 3.000 21.620 ( 2.964 2.491 -0.222) 3.878 21.824 ( 3.086 -8.014 -0.876) 8.632 27.242 ( -1.163 -0.263 0.132) 1.200 27.270 ( -0.215 -1.710 0.040) 1.724 27.346 ( 0.053 1.329 -0.200) 1.345 27.388 ( 0.352 -0.788 0.072) 0.866 35.836 ( 0.561 4.444 4.291) 6.203 36.035 ( 1.160 -3.740 1.403) 4.160 36.434 ( 7.412 -5.067 4.989) 10.272 36.503 ( 9.664 -13.187 -7.754) 18.095 38.485 ( -13.142 27.974 -5.578) 31.407 38.838 ( -17.642 18.498 6.594) 26.399 39.366 ( -18.986 -6.571 0.203) 20.093 39.481 ( -18.828 -5.287 3.401) 19.850 ======================= Grid point 214 (98/108) ======================= q-point: ( 0.23 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 19.972 8.508 -3.787) 22.036 2.389 ( 7.573 6.759 10.055) 14.288 2.612 ( 21.490 9.151 -17.267) 29.046 2.800 ( 19.089 7.993 12.066) 23.956 3.006 ( 12.691 -7.230 -0.297) 14.608 3.099 ( 7.193 -11.474 -4.740) 14.348 3.308 ( 10.179 -5.642 9.726) 15.167 3.386 ( 3.881 -15.982 -3.925) 16.909 3.643 ( 8.771 -2.447 -2.263) 9.383 3.689 ( 10.987 1.517 5.261) 12.276 3.765 ( 7.662 1.440 -3.569) 8.574 3.907 ( 11.249 8.664 -4.062) 14.768 3.950 ( 7.952 1.709 -0.483) 8.148 4.181 ( 4.082 -2.649 1.687) 5.151 4.317 ( 9.301 0.834 6.700) 11.493 4.552 ( 10.212 7.533 0.470) 12.699 4.614 ( 3.047 -0.262 -1.978) 3.642 4.681 ( 3.892 -0.246 7.046) 8.053 4.796 ( 2.881 1.698 -4.163) 5.339 4.949 ( 6.201 -1.877 0.197) 6.481 5.049 ( 1.127 6.133 -0.491) 6.255 5.245 ( -2.618 1.596 -11.597) 11.996 5.626 ( 5.435 5.995 3.563) 8.842 5.747 ( -2.524 -3.831 0.692) 4.640 5.809 ( -2.923 0.590 3.302) 4.449 5.866 ( 7.693 4.840 -5.131) 10.438 5.894 ( 0.072 -4.186 -12.157) 12.858 6.157 ( 2.343 -1.359 3.453) 4.388 6.265 ( 9.331 8.782 2.231) 13.007 6.492 ( 3.746 4.640 0.702) 6.004 6.582 ( 9.518 4.199 5.116) 11.593 6.745 ( 1.604 -5.060 -6.955) 8.750 6.818 ( 0.128 0.752 9.085) 9.117 6.888 ( -4.240 -5.410 0.733) 6.912 6.996 ( 2.442 -0.013 4.740) 5.332 7.183 ( 3.310 -0.121 -3.817) 5.054 7.235 ( -2.847 -1.190 4.606) 5.544 7.324 ( 5.227 5.376 -3.617) 8.325 7.458 ( 3.006 -7.693 10.746) 13.554 7.641 ( 5.203 -7.642 0.009) 9.245 7.851 ( -5.236 2.848 -0.684) 5.999 7.978 ( -6.171 -1.392 -0.491) 6.345 8.143 ( -1.207 5.636 -2.628) 6.334 8.387 ( -0.954 -2.073 -2.598) 3.458 8.639 ( -1.980 4.153 -1.311) 4.784 8.671 ( -3.673 4.193 -1.611) 5.803 8.826 ( 0.876 -3.818 -4.693) 6.113 8.932 ( -9.427 -4.364 1.969) 10.573 9.131 ( -3.540 1.578 -2.816) 4.791 9.185 ( -1.154 1.986 2.220) 3.195 9.279 ( -4.779 1.099 -3.805) 6.207 9.311 ( -8.169 -3.993 1.018) 9.150 9.722 ( -9.269 -0.619 -1.638) 9.433 9.892 ( -10.252 -4.472 -2.843) 11.541 10.028 ( -15.580 9.698 6.224) 19.378 10.349 ( -14.948 0.819 -3.098) 15.287 10.852 ( 5.353 -4.352 3.429) 7.704 10.951 ( -3.337 -9.950 16.210) 19.310 11.250 ( -2.564 5.972 -4.434) 7.868 11.498 ( -7.663 -6.001 -9.555) 13.639 16.391 ( 0.588 0.283 -0.407) 0.769 16.431 ( 1.213 -0.274 -0.292) 1.277 16.447 ( -1.150 -2.645 -0.625) 2.952 16.502 ( -0.807 -2.933 0.638) 3.108 18.254 ( 0.470 5.148 0.349) 5.181 18.383 ( -0.414 1.667 0.010) 1.718 18.453 ( 0.388 1.074 1.331) 1.753 18.522 ( 0.651 -0.850 -1.123) 1.552 21.534 ( 2.446 1.051 1.095) 2.879 21.580 ( 2.406 -1.115 -0.420) 2.685 21.665 ( 1.756 2.552 -0.716) 3.179 21.844 ( -0.370 -6.149 -1.140) 6.265 27.226 ( -0.468 0.093 0.167) 0.505 27.273 ( 0.306 -1.993 0.277) 2.035 27.343 ( -0.189 1.132 -0.770) 1.382 27.391 ( -0.039 -1.151 0.173) 1.164 35.905 ( 4.640 5.137 1.681) 7.123 36.084 ( 2.855 -2.513 2.441) 4.519 36.591 ( 6.414 -4.987 5.060) 9.571 36.639 ( 7.095 -10.412 -7.024) 14.425 38.244 ( -9.981 22.341 -1.484) 24.515 38.496 ( -17.058 19.399 0.998) 25.852 38.984 ( -19.006 -9.355 -0.154) 21.185 39.097 ( -20.348 -7.195 1.705) 21.650 ======================= Grid point 215 (99/108) ======================= q-point: ( 0.31 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 19.958 3.288 3.117) 20.466 2.604 ( 11.968 3.201 9.897) 15.857 2.963 ( 17.962 6.431 -10.561) 21.807 3.136 ( 12.223 -5.415 0.184) 13.370 3.194 ( 5.967 -3.564 -1.780) 7.174 3.365 ( 15.924 1.837 5.979) 17.108 3.438 ( 7.473 -6.092 -3.063) 10.116 3.516 ( 7.624 -6.968 4.962) 11.458 3.740 ( 4.133 -4.438 -1.677) 6.292 3.893 ( 6.204 0.903 -2.404) 6.715 3.978 ( 10.052 -2.581 3.341) 10.902 4.054 ( 7.481 -3.056 -0.059) 8.082 4.106 ( 8.028 6.298 -0.216) 10.206 4.286 ( 7.177 -2.514 -1.992) 7.862 4.524 ( 8.487 2.692 6.210) 10.855 4.648 ( 0.661 1.779 -7.805) 8.032 4.717 ( 5.849 4.155 -3.953) 8.191 4.807 ( 4.600 -4.647 5.493) 8.539 4.888 ( 9.062 2.376 0.022) 9.369 5.038 ( -1.406 1.511 -1.094) 2.336 5.094 ( 4.327 -3.812 -8.350) 10.147 5.151 ( 1.963 1.756 -2.935) 3.943 5.562 ( -6.015 2.659 -4.942) 8.226 5.635 ( -7.438 2.938 -3.620) 8.778 5.742 ( -0.886 3.097 -1.360) 3.497 5.864 ( -2.405 0.230 5.024) 5.574 6.039 ( 3.114 4.971 -2.732) 6.470 6.211 ( 1.825 -0.763 6.216) 6.523 6.385 ( 3.520 4.948 2.255) 6.478 6.514 ( -2.098 5.268 5.145) 7.657 6.663 ( -3.310 0.351 -8.261) 8.906 6.746 ( 1.390 9.891 10.506) 14.497 6.830 ( -1.440 -2.932 -0.232) 3.274 6.950 ( 5.388 1.099 8.927) 10.485 7.085 ( 5.151 -4.346 2.726) 7.270 7.177 ( -2.236 -1.779 1.057) 3.047 7.287 ( 5.833 2.937 -2.100) 6.860 7.379 ( 2.541 5.156 0.378) 5.761 7.594 ( 3.683 -2.696 3.925) 6.020 7.727 ( -5.509 3.331 1.936) 6.723 7.781 ( 7.118 -4.324 -1.142) 8.407 7.833 ( -6.762 -0.240 -0.699) 6.802 8.134 ( 3.771 1.454 -4.852) 6.315 8.326 ( -3.065 -6.100 -8.258) 10.714 8.560 ( -3.098 5.156 -1.405) 6.177 8.638 ( -1.386 6.258 -1.532) 6.590 8.739 ( -4.552 -0.351 1.087) 4.694 8.838 ( -3.840 -2.021 -0.465) 4.364 9.080 ( -0.298 1.644 -1.077) 1.988 9.180 ( -3.257 -2.390 1.575) 4.335 9.211 ( -1.416 1.712 1.057) 2.460 9.252 ( 3.727 0.284 -2.881) 4.719 9.550 ( -6.257 -4.687 -3.595) 8.605 9.657 ( -11.587 -3.049 -0.384) 11.987 9.786 ( -11.175 1.614 3.506) 11.823 10.035 ( -14.776 -3.658 -1.329) 15.280 10.919 ( -3.793 -6.638 12.769) 14.883 10.963 ( 2.150 -5.159 5.435) 7.796 11.182 ( -3.181 1.661 -5.675) 6.714 11.302 ( -8.127 -3.959 -7.668) 11.854 16.400 ( 0.434 0.120 -0.346) 0.568 16.427 ( -0.741 -1.171 -0.067) 1.387 16.449 ( 0.698 -0.692 -0.405) 1.063 16.488 ( -0.840 -2.016 0.455) 2.231 18.267 ( 0.740 5.640 -0.046) 5.688 18.366 ( -1.196 4.464 0.132) 4.624 18.471 ( 0.938 -2.072 0.913) 2.451 18.528 ( 0.324 -2.186 -0.833) 2.361 21.579 ( 1.595 0.857 1.358) 2.264 21.619 ( 1.579 -0.945 0.161) 1.848 21.684 ( 0.477 1.993 -0.951) 2.259 21.813 ( -2.028 -4.084 -0.992) 4.667 27.224 ( 0.145 0.691 0.026) 0.707 27.280 ( 0.097 -1.103 0.469) 1.203 27.337 ( 0.087 0.174 -1.089) 1.106 27.389 ( -0.276 -1.577 0.414) 1.654 36.012 ( 5.542 4.347 0.337) 7.052 36.153 ( 2.922 -1.693 2.575) 4.247 36.717 ( 4.822 -4.855 2.001) 7.129 36.741 ( 5.488 -6.498 -3.599) 9.235 38.081 ( -6.196 15.979 -0.096) 17.138 38.210 ( -11.481 16.468 -0.983) 20.099 38.631 ( -16.615 -8.700 0.180) 18.756 38.716 ( -18.229 -7.377 0.629) 19.675 ======================= Grid point 216 (100/108) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 10.208 3.180 8.126) 13.429 3.005 ( 18.704 -1.893 9.109) 20.891 3.185 ( 5.626 1.902 -4.879) 7.686 3.276 ( 3.120 -4.108 0.123) 5.160 3.301 ( 7.492 -1.558 -4.040) 8.653 3.549 ( 9.070 -4.679 2.645) 10.543 3.641 ( 4.820 -3.810 3.390) 7.017 3.755 ( 7.936 -7.008 0.396) 10.595 3.831 ( 9.116 9.331 0.320) 13.049 3.971 ( 4.024 -2.287 -1.493) 4.864 4.042 ( 2.536 -3.494 -5.314) 6.847 4.212 ( 7.344 -4.070 -1.549) 8.538 4.343 ( 12.159 6.630 2.818) 14.133 4.441 ( 8.343 -0.877 -3.228) 8.988 4.528 ( -8.451 4.339 -6.015) 11.244 4.668 ( -2.646 1.792 0.696) 3.271 4.732 ( 4.017 -4.599 -6.367) 8.822 4.929 ( 4.721 -6.101 3.248) 8.370 4.987 ( -0.704 4.179 -4.007) 5.833 5.057 ( 1.983 0.424 -3.813) 4.318 5.088 ( 9.754 7.308 -0.476) 12.197 5.315 ( 4.474 -0.395 -2.270) 5.032 5.470 ( -1.262 3.278 -3.896) 5.246 5.563 ( 2.464 3.974 2.343) 5.230 5.691 ( -2.533 5.789 1.556) 6.508 5.772 ( -7.689 2.544 4.747) 9.388 6.020 ( -3.595 4.527 -0.589) 5.811 6.199 ( -5.686 -1.090 4.122) 7.107 6.452 ( 1.950 2.052 2.726) 3.930 6.472 ( -3.806 1.230 2.423) 4.676 6.573 ( -3.097 10.592 2.706) 11.363 6.752 ( -3.071 5.609 4.326) 7.720 6.817 ( 0.334 -1.862 -0.085) 1.893 7.028 ( -1.341 0.564 5.591) 5.777 7.114 ( -4.070 1.718 -1.504) 4.666 7.165 ( 1.315 -5.420 -1.356) 5.739 7.381 ( 5.710 2.853 -5.910) 8.699 7.485 ( 5.817 1.686 6.702) 9.033 7.583 ( -5.635 -2.219 6.426) 8.830 7.623 ( -0.760 -0.347 -5.323) 5.388 7.765 ( 0.957 2.708 3.216) 4.312 7.941 ( 6.879 2.497 2.786) 7.831 8.222 ( -3.388 -6.834 -11.237) 13.582 8.226 ( 3.771 -1.302 -7.913) 8.861 8.551 ( 1.460 2.406 2.330) 3.654 8.605 ( -0.147 4.579 -0.671) 4.630 8.684 ( -1.938 -2.550 -0.242) 3.212 8.761 ( -2.486 -1.786 -0.149) 3.064 9.120 ( 3.259 1.744 -0.548) 3.736 9.134 ( -1.515 -1.007 0.433) 1.870 9.192 ( 0.403 4.177 0.368) 4.213 9.315 ( 1.172 -3.010 -1.341) 3.497 9.416 ( -7.570 -3.926 -2.797) 8.975 9.508 ( -3.956 -10.137 0.127) 10.882 9.618 ( -4.654 2.813 1.736) 5.709 9.801 ( -8.004 -4.218 1.029) 9.105 10.856 ( -6.061 -1.318 11.060) 12.680 11.007 ( -2.813 -2.531 -1.935) 4.250 11.053 ( -3.773 -2.483 -0.980) 4.622 11.177 ( -2.480 -4.036 -5.214) 7.044 16.405 ( 0.266 0.106 -0.358) 0.459 16.416 ( -0.381 -0.345 0.172) 0.542 16.456 ( 0.257 -0.696 -0.204) 0.769 16.474 ( -0.660 -1.270 0.239) 1.451 18.282 ( 0.851 5.912 -0.330) 5.982 18.341 ( -1.333 5.433 0.412) 5.609 18.494 ( 0.999 -3.410 0.408) 3.576 18.529 ( -0.009 -3.288 -0.456) 3.319 21.608 ( 0.965 0.832 1.289) 1.812 21.644 ( 0.776 -0.380 0.221) 0.892 21.682 ( -0.010 0.879 -0.815) 1.199 21.766 ( -2.287 -2.593 -0.824) 3.554 27.231 ( 0.592 1.280 -0.184) 1.422 27.276 ( -0.628 0.708 0.485) 1.064 27.342 ( 0.758 -1.473 -1.025) 1.948 27.382 ( -0.556 -1.960 0.611) 2.126 36.115 ( 4.680 3.154 -0.198) 5.647 36.208 ( 1.514 -0.829 2.008) 2.648 36.799 ( 3.817 -3.679 -2.221) 5.747 36.823 ( 3.065 -4.038 1.043) 5.176 37.999 ( -2.009 9.994 -0.342) 10.200 38.048 ( -4.488 11.031 -0.510) 11.920 38.339 ( -12.863 -5.695 0.054) 14.067 38.398 ( -14.034 -5.548 0.459) 15.098 ======================= Grid point 217 (101/108) ======================= q-point: ( 0.46 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 7.862 2.696 6.682) 10.665 3.164 ( -3.774 0.917 -5.012) 6.340 3.266 ( 5.676 -3.715 -0.275) 6.789 3.315 ( -0.502 -3.207 2.896) 4.351 3.507 ( 11.221 -1.001 7.648) 13.616 3.672 ( -2.491 -4.136 -3.548) 5.991 3.716 ( 5.970 -1.999 1.713) 6.525 3.791 ( -1.391 -4.827 0.045) 5.024 3.953 ( 6.658 1.563 -1.613) 7.027 4.085 ( 0.521 0.494 -2.280) 2.390 4.144 ( 7.465 -0.797 1.052) 7.581 4.260 ( -2.338 0.476 -8.682) 9.004 4.363 ( -1.265 -1.075 1.657) 2.346 4.421 ( -8.261 -2.710 -2.749) 9.118 4.566 ( 7.665 5.061 -3.632) 9.877 4.613 ( 2.039 2.527 2.659) 4.197 4.854 ( 5.145 1.300 1.801) 5.604 4.936 ( -2.705 3.358 -2.464) 4.966 5.031 ( 4.464 -5.050 -0.316) 6.747 5.088 ( -0.728 -1.086 3.149) 3.410 5.259 ( 4.093 11.334 -2.324) 12.273 5.312 ( 0.990 9.974 -3.993) 10.789 5.416 ( 1.979 1.375 -4.577) 5.173 5.581 ( -9.760 6.247 3.618) 12.139 5.719 ( 3.571 8.478 4.821) 10.386 5.751 ( 4.972 -1.663 2.740) 5.916 5.944 ( -0.474 2.337 -2.132) 3.199 6.055 ( -8.916 -3.172 2.483) 9.784 6.415 ( -0.878 5.201 -0.458) 5.295 6.446 ( -3.335 5.854 3.120) 7.425 6.588 ( 3.181 5.262 4.197) 7.444 6.688 ( -4.270 3.470 -1.859) 5.808 6.834 ( 1.568 -1.260 -0.085) 2.013 6.909 ( -6.623 -0.043 -2.232) 6.989 7.095 ( 0.589 -1.339 4.364) 4.603 7.140 ( -1.966 -2.737 -3.706) 5.009 7.475 ( 5.050 -0.604 -6.751) 8.452 7.520 ( -2.852 -2.247 6.265) 7.241 7.581 ( 2.200 -2.940 4.491) 5.801 7.621 ( -0.491 -3.363 -1.544) 3.733 7.889 ( 8.650 3.762 6.392) 11.394 8.056 ( -0.395 -1.257 -0.947) 1.622 8.109 ( -0.937 3.536 -4.284) 5.634 8.189 ( -3.119 3.012 -6.799) 8.064 8.564 ( 0.139 2.134 2.286) 3.131 8.592 ( -1.758 0.839 -1.802) 2.654 8.705 ( 3.106 -2.995 -0.999) 4.429 8.744 ( -0.988 -3.870 1.487) 4.262 9.130 ( 3.108 -3.345 -1.375) 4.768 9.182 ( 0.603 -0.750 -0.431) 1.054 9.227 ( 2.061 1.167 0.094) 2.370 9.284 ( -4.554 -1.697 -0.267) 4.867 9.300 ( 0.069 -5.356 -0.947) 5.440 9.378 ( -7.038 -8.046 1.679) 10.821 9.655 ( 4.389 -0.498 -1.389) 4.630 9.716 ( -2.770 -2.879 2.194) 4.558 10.799 ( -2.503 4.293 9.229) 10.482 10.855 ( -4.863 5.158 -8.427) 11.012 11.079 ( 1.191 -7.456 5.223) 9.181 11.123 ( -1.374 -6.564 -5.121) 8.438 16.408 ( 0.197 0.144 -0.292) 0.381 16.411 ( -0.224 0.051 0.245) 0.336 16.460 ( 0.175 -0.709 -0.113) 0.739 16.464 ( -0.376 -0.855 0.122) 0.942 18.298 ( 1.001 5.937 -0.504) 6.042 18.318 ( -1.191 5.783 0.541) 5.929 18.512 ( 0.748 -3.911 0.162) 3.985 18.524 ( -0.380 -3.873 -0.196) 3.896 21.629 ( 0.741 0.924 1.136) 1.641 21.646 ( -0.444 0.857 -0.740) 1.216 21.691 ( 1.062 -0.938 0.240) 1.437 21.722 ( -1.834 -1.694 -0.663) 2.584 27.245 ( 0.873 1.641 -0.353) 1.892 27.262 ( -0.937 1.575 0.433) 1.883 27.356 ( 0.970 -2.173 -0.862) 2.531 27.371 ( -0.831 -2.203 0.745) 2.469 36.190 ( 2.913 1.808 -0.575) 3.476 36.222 ( -0.683 0.395 1.193) 1.430 36.851 ( 2.235 -2.651 -2.667) 4.375 36.863 ( 0.248 -2.875 2.220) 3.641 37.998 ( 2.201 5.170 -1.248) 5.756 38.024 ( 0.868 4.993 1.085) 5.183 38.140 ( -6.162 -1.835 -0.860) 6.487 38.176 ( -8.368 -2.192 0.911) 8.698 ======================= Grid point 224 (102/108) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -0.000 -0.000 -0.000) 0.000 2.120 ( 0.000 0.000 -0.000) 0.000 2.176 ( 0.000 -0.000 0.000) 0.000 2.176 ( -0.000 0.000 0.000) 0.000 2.440 ( -0.000 0.000 0.000) 0.000 2.440 ( -0.000 0.000 0.000) 0.000 2.775 ( 0.000 -0.000 -0.000) 0.000 2.775 ( -0.000 0.000 0.000) 0.000 3.353 ( -0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.491 ( -0.000 0.000 0.000) 0.000 3.491 ( -0.000 0.000 0.000) 0.000 4.074 ( -0.000 -0.000 -0.000) 0.000 4.074 ( -0.000 0.000 0.000) 0.000 4.286 ( -0.000 0.000 -0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.706 ( -0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.775 ( -0.000 -0.000 -0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.095 ( -0.000 0.000 0.000) 0.000 5.201 ( -0.000 -0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 -0.000) 0.000 5.459 ( -0.000 0.000 0.000) 0.000 5.505 ( 0.000 -0.000 -0.000) 0.000 5.505 ( -0.000 -0.000 0.000) 0.000 6.421 ( -0.000 -0.000 -0.000) 0.000 6.421 ( -0.000 0.000 0.000) 0.000 6.495 ( -0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.003 ( -0.000 0.000 0.000) 0.000 7.003 ( -0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.166 ( -0.000 0.000 0.000) 0.000 7.458 ( -0.000 0.000 0.000) 0.000 7.458 ( -0.000 0.000 0.000) 0.000 7.995 ( -0.000 0.000 0.000) 0.000 7.995 ( -0.000 0.000 0.000) 0.000 8.150 ( -0.000 0.000 0.000) 0.000 8.150 ( -0.000 0.000 0.000) 0.000 8.672 ( -0.000 0.000 0.000) 0.000 8.672 ( -0.000 0.000 0.000) 0.000 8.984 ( -0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 9.758 ( -0.000 0.000 0.000) 0.000 9.758 ( 0.000 0.000 0.000) 0.000 10.186 ( -0.000 0.000 0.000) 0.000 10.186 ( 0.000 0.000 0.000) 0.000 10.308 ( -0.000 0.000 0.000) 0.000 10.308 ( -0.000 0.000 0.000) 0.000 11.143 ( -0.000 0.000 0.000) 0.000 11.143 ( -0.000 0.000 0.000) 0.000 11.667 ( 0.000 -0.000 0.000) 0.000 11.667 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 16.400 ( -0.000 0.000 0.000) 0.000 16.461 ( -0.000 0.000 -0.000) 0.000 16.461 ( -0.000 0.000 0.000) 0.000 18.400 ( 0.000 -0.000 -0.000) 0.000 18.400 ( -0.000 0.000 0.000) 0.000 18.404 ( 0.000 0.000 -0.000) 0.000 18.404 ( -0.000 0.000 0.000) 0.000 21.503 ( -0.000 0.000 -0.000) 0.000 21.503 ( 0.000 0.000 0.000) 0.000 21.539 ( -0.000 0.000 0.000) 0.000 21.539 ( 0.000 0.000 0.000) 0.000 27.290 ( 0.000 0.000 0.000) 0.000 27.290 ( 0.000 0.000 0.000) 0.000 27.349 ( -0.000 0.000 0.000) 0.000 27.349 ( 0.000 0.000 0.000) 0.000 35.946 ( 0.000 0.000 0.000) 0.000 35.946 ( -0.000 0.000 0.000) 0.000 36.125 ( -0.000 0.000 0.000) 0.000 36.125 ( -0.000 0.000 0.000) 0.000 39.296 ( 0.000 0.000 0.000) 0.000 39.296 ( 0.000 0.000 0.000) 0.000 39.823 ( -0.000 0.000 0.000) 0.000 39.823 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 228 (103/108) ======================= q-point: ( 0.08 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 2.514 -22.543 -7.927) 24.028 2.108 ( 2.514 22.543 -7.927) 24.028 2.270 ( 5.683 -12.332 11.261) 17.641 2.270 ( 5.683 12.332 11.261) 17.641 2.545 ( 10.870 -6.939 -7.308) 14.822 2.545 ( 10.870 6.939 -7.308) 14.822 2.816 ( 3.930 -7.573 2.035) 8.771 2.816 ( 3.930 7.573 2.035) 8.771 3.380 ( 3.167 -1.609 2.234) 4.197 3.380 ( 3.167 1.609 2.234) 4.197 3.582 ( 8.105 -3.865 -1.430) 9.093 3.582 ( 8.105 3.865 -1.430) 9.093 4.031 ( -2.549 -13.127 -2.890) 13.681 4.031 ( -2.549 13.127 -2.890) 13.681 4.268 ( -0.141 -14.852 -0.347) 14.857 4.268 ( -0.141 14.852 -0.347) 14.857 4.648 ( -2.074 -5.301 1.029) 5.785 4.648 ( -2.074 5.301 1.029) 5.785 4.839 ( -0.844 -2.375 6.722) 7.179 4.839 ( -0.844 2.375 6.722) 7.179 5.200 ( 9.213 -11.631 -0.723) 14.856 5.200 ( 9.213 11.631 -0.723) 14.856 5.328 ( 9.339 -9.028 2.461) 13.221 5.328 ( 9.339 9.028 2.461) 13.221 5.414 ( 3.342 -23.775 1.873) 24.081 5.414 ( 3.342 23.775 1.873) 24.081 5.702 ( 15.431 -10.721 -8.921) 20.800 5.702 ( 15.431 10.721 -8.921) 20.800 6.353 ( -4.869 -6.914 -2.063) 8.704 6.353 ( -4.869 6.914 -2.063) 8.704 6.512 ( 0.996 -9.276 -0.787) 9.362 6.512 ( 0.996 9.276 -0.787) 9.362 6.924 ( -2.023 -3.848 2.861) 5.204 6.924 ( -2.023 3.848 2.861) 5.204 7.017 ( 1.375 -6.437 0.992) 6.656 7.017 ( 1.375 6.437 0.992) 6.656 7.194 ( 2.159 -3.822 1.771) 4.733 7.194 ( 2.159 3.822 1.771) 4.733 7.434 ( -2.182 -3.722 1.039) 4.438 7.434 ( -2.182 3.722 1.039) 4.438 7.997 ( 0.177 -2.305 0.010) 2.311 7.997 ( 0.177 2.305 0.010) 2.311 8.195 ( 4.545 -4.550 -3.515) 7.329 8.195 ( 4.545 4.550 -3.515) 7.329 8.673 ( -0.038 -0.789 1.081) 1.339 8.673 ( -0.038 0.789 1.081) 1.339 8.967 ( -1.772 -4.201 -0.180) 4.563 8.967 ( -1.772 4.201 -0.180) 4.563 9.542 ( -8.539 -4.565 1.308) 9.771 9.542 ( -8.539 4.565 1.308) 9.771 9.654 ( -9.489 -4.947 -2.507) 10.991 9.654 ( -9.489 4.947 -2.507) 10.991 10.076 ( -5.627 -3.914 0.660) 6.886 10.076 ( -5.627 3.914 0.660) 6.886 10.471 ( 9.888 -3.550 -1.716) 10.645 10.471 ( 9.888 3.550 -1.716) 10.645 11.021 ( -13.182 -8.537 8.637) 17.924 11.021 ( -13.182 8.537 8.637) 17.924 11.623 ( -2.996 -7.815 -6.642) 10.685 11.623 ( -2.996 7.815 -6.642) 10.685 16.401 ( 0.180 -1.153 -0.518) 1.276 16.401 ( 0.180 1.153 -0.518) 1.276 16.457 ( -0.361 -1.456 0.031) 1.500 16.457 ( -0.361 1.456 0.031) 1.500 18.348 ( -2.158 -3.300 1.818) 4.342 18.348 ( -2.158 3.300 1.818) 4.342 18.465 ( 2.839 -2.228 -1.031) 3.754 18.465 ( 2.839 2.228 -1.031) 3.754 21.482 ( 0.409 -1.214 -2.090) 2.452 21.482 ( 0.409 1.214 -2.090) 2.452 21.611 ( 4.450 -4.144 1.376) 6.234 21.611 ( 4.450 4.144 1.376) 6.234 27.270 ( -1.441 -0.346 -0.167) 1.492 27.270 ( -1.441 0.346 -0.167) 1.492 27.361 ( 0.708 -0.805 0.289) 1.110 27.361 ( 0.708 0.805 0.289) 1.110 35.923 ( -1.180 -4.828 1.917) 5.327 35.923 ( -1.180 4.828 1.917) 5.327 36.218 ( 7.881 -0.255 -1.428) 8.014 36.218 ( 7.881 0.255 -1.428) 8.014 39.178 ( -10.191 -8.882 -4.573) 14.271 39.178 ( -10.191 8.882 -4.573) 14.271 39.692 ( -14.169 -3.913 6.554) 16.094 39.692 ( -14.169 3.913 6.554) 16.094 ======================= Grid point 230 (104/108) ======================= q-point: ( 0.15 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 6.855 -18.901 -6.834) 21.235 2.172 ( 6.855 18.901 -6.834) 21.235 2.482 ( 13.255 -4.208 2.308) 14.097 2.482 ( 13.255 4.208 2.308) 14.097 2.776 ( 13.449 -14.323 -1.502) 19.705 2.776 ( 13.449 14.323 -1.502) 19.705 2.943 ( 7.696 -10.834 4.347) 13.982 2.943 ( 7.696 10.834 4.347) 13.982 3.492 ( 6.628 -1.842 1.973) 7.156 3.492 ( 6.628 1.842 1.973) 7.156 3.753 ( 9.206 -5.870 -3.425) 11.442 3.753 ( 9.206 5.870 -3.425) 11.442 4.011 ( 1.712 -11.789 0.918) 11.948 4.011 ( 1.712 11.789 0.918) 11.948 4.308 ( 3.861 -15.111 2.670) 15.823 4.308 ( 3.861 15.111 2.670) 15.823 4.643 ( 1.560 -6.577 -0.362) 6.769 4.643 ( 1.560 6.577 -0.362) 6.769 4.827 ( -0.930 -4.290 1.921) 4.791 4.827 ( -0.930 4.290 1.921) 4.791 5.278 ( -0.195 -13.505 -5.205) 14.475 5.278 ( -0.195 13.505 -5.205) 14.475 5.466 ( 8.620 -12.225 6.256) 16.214 5.466 ( 8.620 12.225 6.256) 16.214 5.730 ( 18.137 -10.084 -0.061) 20.752 5.730 ( 18.137 10.084 -0.061) 20.752 5.925 ( 6.326 -4.735 -9.369) 12.256 5.925 ( 6.326 4.735 -9.369) 12.256 6.310 ( 4.505 -8.421 1.972) 9.752 6.310 ( 4.505 8.421 1.972) 9.752 6.528 ( 1.556 -8.793 -1.761) 9.102 6.528 ( 1.556 8.793 -1.761) 9.102 6.883 ( -2.564 -2.661 1.787) 4.105 6.883 ( -2.564 2.661 1.787) 4.105 7.052 ( 0.826 -8.019 3.978) 8.989 7.052 ( 0.826 8.019 3.978) 8.989 7.247 ( 1.375 -5.598 5.765) 8.153 7.247 ( 1.375 5.598 5.765) 8.153 7.411 ( 1.193 -7.652 -2.051) 8.011 7.411 ( 1.193 7.652 -2.051) 8.011 7.990 ( -1.295 -3.926 -0.521) 4.167 7.990 ( -1.295 3.926 -0.521) 4.167 8.273 ( 4.003 -7.356 -4.211) 9.374 8.273 ( 4.003 7.356 -4.211) 9.374 8.686 ( 1.248 -1.984 0.756) 2.463 8.686 ( 1.248 1.984 0.756) 2.463 8.906 ( -4.349 -7.581 -0.676) 8.766 8.906 ( -4.349 7.581 -0.676) 8.766 9.352 ( -9.809 -3.566 -0.574) 10.453 9.352 ( -9.809 3.566 -0.574) 10.453 9.430 ( -10.923 -2.311 -0.503) 11.176 9.430 ( -10.923 2.311 -0.503) 11.176 9.961 ( -6.781 -4.913 -2.034) 8.617 9.961 ( -6.781 4.913 -2.034) 8.617 10.565 ( -6.072 -9.867 -1.264) 11.654 10.565 ( -6.072 9.867 -1.264) 11.654 10.786 ( -7.547 -11.210 12.200) 18.206 10.786 ( -7.547 11.210 12.200) 18.206 11.512 ( -5.162 -9.084 -7.690) 12.973 11.512 ( -5.162 9.084 -7.690) 12.973 16.403 ( 0.272 -1.636 -0.936) 1.904 16.403 ( 0.272 1.636 -0.936) 1.904 16.451 ( -0.183 -2.285 0.423) 2.331 16.451 ( -0.183 2.285 0.423) 2.331 18.333 ( -0.136 -3.707 1.380) 3.958 18.333 ( -0.136 3.707 1.380) 3.958 18.498 ( 0.795 -1.722 -0.666) 2.010 18.498 ( 0.795 1.722 -0.666) 2.010 21.508 ( 2.406 -1.395 -0.905) 2.924 21.508 ( 2.406 1.395 -0.905) 2.924 21.694 ( 3.280 -5.300 0.207) 6.236 21.694 ( 3.280 5.300 0.207) 6.236 27.246 ( -0.829 -0.745 0.071) 1.117 27.246 ( -0.829 0.745 0.071) 1.117 27.370 ( 0.112 -1.073 0.008) 1.079 27.370 ( 0.112 1.073 0.008) 1.079 35.939 ( 2.060 -5.743 1.806) 6.363 35.939 ( 2.060 5.743 1.806) 6.363 36.381 ( 8.650 -0.696 -1.135) 8.751 36.381 ( 8.650 0.696 -1.135) 8.751 38.908 ( -14.341 -13.146 -4.238) 19.911 38.908 ( -14.341 13.146 -4.238) 19.911 39.347 ( -21.849 -6.694 5.885) 23.597 39.347 ( -21.849 6.694 5.885) 23.597 ======================= Grid point 232 (105/108) ======================= q-point: ( 0.23 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 11.762 -11.461 -2.034) 16.548 2.338 ( 11.762 11.461 -2.034) 16.548 2.787 ( 17.450 -8.668 -6.228) 20.456 2.787 ( 17.450 8.668 -6.228) 20.456 3.011 ( 9.717 -14.331 -0.320) 17.318 3.011 ( 9.717 14.331 -0.320) 17.318 3.173 ( 12.850 -9.295 10.986) 19.293 3.173 ( 12.850 9.295 10.986) 19.293 3.627 ( 6.502 -1.635 0.676) 6.739 3.627 ( 6.502 1.635 0.676) 6.739 3.899 ( 7.225 -5.182 -4.699) 10.057 3.899 ( 7.225 5.182 -4.699) 10.057 4.098 ( 5.415 -7.544 2.480) 9.611 4.098 ( 5.415 7.544 2.480) 9.611 4.437 ( 7.622 -10.202 4.165) 13.399 4.437 ( 7.622 10.202 4.165) 13.399 4.704 ( 4.102 -2.772 -1.001) 5.051 4.704 ( 4.102 2.772 -1.001) 5.051 4.846 ( 3.421 -5.058 0.098) 6.107 4.846 ( 3.421 5.058 0.098) 6.107 5.222 ( -2.795 -6.359 -7.458) 10.191 5.222 ( -2.795 6.359 -7.458) 10.191 5.650 ( 6.280 -1.325 -0.729) 6.459 5.650 ( 6.280 1.325 -0.729) 6.459 5.830 ( -3.989 -1.428 -2.487) 4.913 5.830 ( -3.989 1.428 -2.487) 4.913 6.048 ( 8.926 -8.796 -0.695) 12.551 6.048 ( 8.926 8.796 -0.695) 12.551 6.464 ( 3.724 -10.610 0.694) 11.266 6.464 ( 3.724 10.610 0.694) 11.266 6.616 ( 8.870 -6.142 1.489) 10.891 6.616 ( 8.870 6.142 1.489) 10.891 6.860 ( 0.408 -1.596 2.142) 2.703 6.860 ( 0.408 1.596 2.142) 2.703 7.075 ( -0.684 -8.478 8.252) 11.850 7.075 ( -0.684 8.478 8.252) 11.850 7.287 ( 1.066 -5.724 5.724) 8.165 7.287 ( 1.066 5.724 5.724) 8.165 7.494 ( 8.193 -7.427 -4.541) 11.954 7.494 ( 8.193 7.427 -4.541) 11.954 7.926 ( -4.703 -3.875 -2.207) 6.481 7.926 ( -4.703 3.875 -2.207) 6.481 8.287 ( -1.609 -7.803 -3.713) 8.790 8.287 ( -1.609 7.803 -3.713) 8.790 8.731 ( 2.983 -4.721 -1.162) 5.704 8.731 ( 2.983 4.721 -1.162) 5.704 8.794 ( -6.251 -8.033 -0.189) 10.180 8.794 ( -6.251 8.033 -0.189) 10.180 9.183 ( -6.333 -3.332 -1.475) 7.307 9.183 ( -6.333 3.332 -1.475) 7.307 9.272 ( -4.392 -2.193 0.136) 4.911 9.272 ( -4.392 2.193 0.136) 4.911 9.781 ( -10.426 -5.695 -2.629) 12.168 9.781 ( -10.426 5.695 -2.629) 12.168 10.248 ( -19.742 -10.477 3.048) 22.556 10.248 ( -19.742 10.477 3.048) 22.556 10.827 ( 2.227 -2.737 8.583) 9.280 10.827 ( 2.227 2.737 8.583) 9.280 11.374 ( -5.934 -6.631 -7.033) 11.343 11.374 ( -5.934 6.631 -7.033) 11.343 16.404 ( 0.240 -1.277 -0.784) 1.518 16.404 ( 0.240 1.277 -0.784) 1.518 16.453 ( 0.078 -1.969 0.462) 2.024 16.453 ( 0.078 1.969 0.462) 2.024 18.346 ( 0.903 -4.023 0.793) 4.199 18.346 ( 0.903 4.023 0.793) 4.199 18.496 ( -0.588 -2.038 -0.454) 2.169 18.496 ( -0.588 2.038 -0.454) 2.169 21.557 ( 2.410 -1.243 0.103) 2.713 21.557 ( 2.410 1.243 0.103) 2.713 21.736 ( 1.101 -4.763 -0.478) 4.912 21.736 ( 1.101 4.763 -0.478) 4.912 27.239 ( 0.054 -1.276 0.164) 1.287 27.239 ( 0.054 1.276 0.164) 1.287 27.367 ( -0.313 -1.277 -0.180) 1.327 27.367 ( -0.313 1.277 -0.180) 1.327 36.008 ( 4.053 -5.140 1.365) 6.687 36.008 ( 4.053 5.140 1.365) 6.687 36.539 ( 7.592 -0.648 -0.750) 7.657 36.539 ( 7.592 0.648 -0.750) 7.657 38.613 ( -13.863 -12.742 -2.438) 18.987 38.613 ( -13.863 12.742 -2.438) 18.987 38.924 ( -21.686 -8.584 2.985) 23.513 38.924 ( -21.686 8.584 2.985) 23.513 ======================= Grid point 234 (106/108) ======================= q-point: ( 0.31 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 14.804 -2.928 4.312) 15.695 2.611 ( 14.804 2.928 4.312) 15.695 3.083 ( 13.047 -3.245 -3.388) 13.865 3.083 ( 13.047 3.245 -3.388) 13.865 3.176 ( 8.928 -13.055 -4.047) 16.325 3.176 ( 8.928 13.055 -4.047) 16.325 3.464 ( 11.203 -2.770 8.311) 14.222 3.464 ( 11.203 2.770 8.311) 14.222 3.782 ( 9.453 -6.984 3.047) 12.142 3.782 ( 9.453 6.984 3.047) 12.142 3.994 ( 3.554 -2.716 -5.006) 6.713 3.994 ( 3.554 2.716 -5.006) 6.713 4.231 ( 8.249 -4.644 -0.038) 9.466 4.231 ( 8.249 4.644 -0.038) 9.466 4.610 ( 7.952 -5.138 0.552) 9.484 4.610 ( 7.952 5.138 0.552) 9.484 4.752 ( 0.332 -1.106 -0.738) 1.371 4.752 ( 0.332 1.106 -0.738) 1.371 4.980 ( 8.666 -5.043 -0.366) 10.033 4.980 ( 8.665 5.043 -0.366) 10.033 5.130 ( -1.816 -4.018 -6.766) 8.076 5.130 ( -1.816 4.018 -6.766) 8.076 5.614 ( -4.451 -3.637 -4.915) 7.563 5.614 ( -4.451 3.637 -4.915) 7.563 5.837 ( 0.712 -3.950 2.874) 4.936 5.837 ( 0.712 3.950 2.874) 4.936 6.140 ( 1.236 -5.205 0.586) 5.382 6.140 ( 1.236 5.205 0.586) 5.382 6.478 ( -1.221 -5.509 1.361) 5.805 6.478 ( -1.221 5.509 1.361) 5.805 6.732 ( 1.995 -5.555 -1.917) 6.206 6.732 ( 1.995 5.555 -1.917) 6.206 6.936 ( 2.820 -5.356 7.649) 9.754 6.936 ( 2.820 5.356 7.649) 9.754 7.097 ( -0.334 -6.029 11.319) 12.829 7.097 ( -0.334 6.029 11.319) 12.829 7.346 ( 3.741 -3.589 0.575) 5.215 7.346 ( 3.741 3.589 0.575) 5.215 7.667 ( 8.442 -6.679 -3.966) 11.472 7.667 ( 8.442 6.679 -3.966) 11.472 7.806 ( -4.676 -3.332 -3.277) 6.611 7.806 ( -4.676 3.332 -3.277) 6.611 8.204 ( -3.302 -5.652 -5.152) 8.330 8.204 ( -3.302 5.652 -5.152) 8.330 8.680 ( -4.693 -5.744 0.867) 7.467 8.680 ( -4.693 5.744 0.867) 7.468 8.761 ( -0.692 -5.580 -2.087) 5.997 8.761 ( -0.692 5.580 -2.087) 5.997 9.120 ( 0.340 -2.764 0.050) 2.785 9.120 ( 0.340 2.764 0.050) 2.785 9.246 ( 1.058 -2.493 -0.742) 2.809 9.246 ( 1.058 2.493 -0.742) 2.809 9.549 ( -11.306 -4.878 -2.461) 12.557 9.549 ( -11.306 4.878 -2.461) 12.557 9.904 ( -15.178 -8.256 2.720) 17.490 9.904 ( -15.178 8.256 2.720) 17.490 10.883 ( 0.129 -2.242 8.436) 8.730 10.883 ( 0.129 2.242 8.436) 8.730 11.230 ( -5.985 -3.312 -6.724) 9.592 11.230 ( -5.985 3.312 -6.724) 9.592 16.407 ( 0.218 -0.689 -0.404) 0.828 16.407 ( 0.218 0.689 -0.404) 0.828 16.455 ( 0.015 -1.177 0.248) 1.203 16.455 ( 0.015 1.177 0.248) 1.203 18.369 ( 1.128 -4.284 0.362) 4.445 18.369 ( 1.128 4.284 0.362) 4.445 18.478 ( -1.056 -2.880 -0.255) 3.078 18.478 ( -1.056 2.880 -0.255) 3.078 21.598 ( 1.647 -1.114 0.589) 2.074 21.598 ( 1.647 1.114 0.589) 2.074 21.738 ( -0.529 -3.527 -0.739) 3.642 21.738 ( -0.529 3.527 -0.739) 3.642 27.247 ( 0.633 -1.687 0.084) 1.804 27.247 ( 0.633 1.687 0.084) 1.804 27.358 ( -0.539 -1.528 -0.136) 1.626 27.358 ( -0.539 1.528 -0.136) 1.626 36.097 ( 4.243 -4.025 0.964) 5.927 36.097 ( 4.243 4.025 0.964) 5.927 36.672 ( 6.066 -0.818 -0.499) 6.141 36.672 ( 6.066 0.818 -0.499) 6.141 38.357 ( -11.073 -9.611 -1.453) 14.735 38.357 ( -11.073 9.611 -1.453) 14.735 38.545 ( -17.176 -8.129 1.408) 19.054 38.545 ( -17.176 8.129 1.408) 19.054 ======================= Grid point 236 (107/108) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 12.571 -6.283 8.586) 16.468 2.916 ( 12.571 6.283 8.586) 16.468 3.220 ( 3.879 -1.847 -4.795) 6.438 3.220 ( 3.879 1.847 -4.795) 6.438 3.380 ( 10.474 -9.137 3.116) 14.244 3.380 ( 10.474 9.137 3.116) 14.244 3.650 ( 6.040 -3.130 1.673) 7.006 3.650 ( 6.040 3.130 1.673) 7.006 3.960 ( 2.858 -1.794 -2.906) 4.453 3.960 ( 2.858 1.794 -2.906) 4.453 4.063 ( 10.102 -9.632 -1.700) 14.061 4.063 ( 10.102 9.632 -1.700) 14.061 4.421 ( 9.500 -1.825 -1.234) 9.752 4.421 ( 9.500 1.825 -1.234) 9.752 4.610 ( -7.144 -4.365 -8.457) 11.900 4.610 ( -7.144 4.365 -8.457) 11.900 4.798 ( 5.779 -6.874 3.735) 9.726 4.798 ( 5.779 6.874 3.735) 9.726 5.047 ( 0.790 -1.923 -1.580) 2.611 5.047 ( 0.790 1.923 -1.580) 2.611 5.247 ( 11.026 -6.606 -1.888) 12.992 5.247 ( 11.026 6.606 -1.888) 12.992 5.543 ( -1.148 -3.819 -0.893) 4.087 5.543 ( -1.148 3.819 -0.893) 4.087 5.803 ( -3.685 -2.966 0.691) 4.780 5.803 ( -3.685 2.966 0.691) 4.780 6.119 ( -4.467 -6.088 3.641) 8.383 6.119 ( -4.467 6.088 3.641) 8.383 6.453 ( -0.862 -1.236 0.060) 1.508 6.453 ( -0.862 1.236 0.060) 1.508 6.730 ( -1.834 -5.818 1.477) 6.276 6.730 ( -1.834 5.818 1.477) 6.276 6.943 ( -3.871 -9.681 7.442) 12.810 6.943 ( -3.871 9.681 7.442) 12.810 7.126 ( -0.944 -0.956 3.907) 4.131 7.126 ( -0.944 0.956 3.907) 4.131 7.441 ( 4.999 -4.031 1.390) 6.570 7.441 ( 4.999 4.031 1.390) 6.570 7.605 ( -5.659 -2.265 -6.950) 9.244 7.605 ( -5.659 2.265 -6.950) 9.244 7.882 ( 6.568 -7.950 0.975) 10.358 7.882 ( 6.568 7.950 0.975) 10.358 8.178 ( 2.461 -2.494 -5.918) 6.877 8.178 ( 2.461 2.494 -5.918) 6.877 8.616 ( -1.945 -4.036 1.038) 4.599 8.616 ( -1.945 4.036 1.038) 4.599 8.709 ( -2.831 -4.186 -1.149) 5.182 8.709 ( -2.831 4.186 -1.149) 5.182 9.148 ( 0.329 -1.012 0.723) 1.287 9.148 ( 0.329 1.012 0.723) 1.287 9.260 ( -0.546 -5.050 -0.266) 5.087 9.260 ( -0.546 5.050 -0.266) 5.087 9.360 ( -5.800 -0.488 -3.144) 6.616 9.360 ( -5.800 0.488 -3.144) 6.616 9.701 ( -5.862 -5.261 2.423) 8.241 9.701 ( -5.862 5.261 2.423) 8.241 10.902 ( -1.020 -5.243 7.895) 9.532 10.902 ( -1.020 5.243 7.895) 9.532 11.094 ( -5.093 -4.078 -6.634) 9.304 11.094 ( -5.093 4.078 -6.634) 9.304 16.409 ( 0.156 -0.328 -0.150) 0.393 16.409 ( 0.156 0.328 -0.150) 0.393 16.455 ( -0.096 -0.554 0.090) 0.569 16.455 ( -0.096 0.554 0.090) 0.569 18.391 ( 0.983 -4.306 0.118) 4.418 18.391 ( 0.983 4.306 0.118) 4.418 18.456 ( -0.992 -3.501 -0.096) 3.640 18.456 ( -0.991 3.501 -0.096) 3.640 21.627 ( 1.091 -1.052 0.748) 1.690 21.627 ( 1.091 1.052 0.748) 1.690 21.716 ( -1.200 -2.355 -0.798) 2.761 21.716 ( -1.200 2.355 -0.798) 2.761 27.262 ( 0.808 -1.739 -0.041) 1.919 27.262 ( 0.808 1.739 -0.041) 1.919 27.346 ( -0.629 -1.591 0.001) 1.711 27.346 ( -0.629 1.591 0.001) 1.711 36.174 ( 3.099 -2.631 0.606) 4.110 36.174 ( 3.099 2.631 0.606) 4.110 36.772 ( 4.123 -0.910 -0.328) 4.235 36.772 ( 4.123 0.910 -0.328) 4.235 38.174 ( -6.837 -5.836 -1.385) 9.095 38.174 ( -6.837 5.836 -1.385) 9.095 38.269 ( -11.183 -5.993 1.233) 12.748 38.269 ( -11.183 5.993 1.233) 12.748 ======================= Grid point 238 (108/108) ======================= q-point: ( 0.46 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 5.253 -6.604 5.914) 10.305 3.127 ( 5.253 6.604 5.914) 10.304 3.245 ( 0.559 -3.521 -3.393) 4.921 3.245 ( 0.559 3.521 -3.393) 4.921 3.556 ( 4.697 -5.578 3.891) 8.265 3.556 ( 4.697 5.578 3.891) 8.265 3.720 ( 0.982 -2.104 -0.113) 2.324 3.720 ( 0.982 2.104 -0.113) 2.324 4.013 ( 6.439 -4.653 -1.763) 8.138 4.013 ( 6.439 4.653 -1.763) 8.138 4.214 ( 0.097 -4.918 -6.876) 8.454 4.214 ( 0.097 4.918 -6.876) 8.454 4.361 ( -5.197 -1.614 0.046) 5.442 4.361 ( -5.197 1.614 0.045) 5.442 4.640 ( 5.864 -1.077 0.177) 5.965 4.640 ( 5.864 1.077 0.177) 5.965 4.919 ( 4.971 -5.265 1.330) 7.362 4.919 ( 4.971 5.265 1.330) 7.362 5.020 ( -3.193 -4.727 -0.728) 5.751 5.020 ( -3.193 4.727 -0.728) 5.751 5.397 ( 3.325 -3.713 -2.138) 5.424 5.397 ( 3.325 3.714 -2.138) 5.424 5.564 ( 3.036 -11.185 -0.637) 11.607 5.564 ( 3.036 11.185 -0.637) 11.607 5.762 ( -0.589 -5.027 1.262) 5.216 5.762 ( -0.589 5.027 1.262) 5.216 6.014 ( -5.345 -2.691 3.313) 6.840 6.014 ( -5.345 2.691 3.313) 6.840 6.456 ( 0.881 -1.396 -0.737) 1.808 6.456 ( 0.881 1.396 -0.737) 1.808 6.672 ( -3.695 -3.960 1.911) 5.743 6.672 ( -3.695 3.960 1.911) 5.743 6.899 ( -1.595 -4.912 2.273) 5.642 6.899 ( -1.595 4.912 2.273) 5.642 7.085 ( -2.403 -1.992 -0.590) 3.177 7.085 ( -2.403 1.992 -0.590) 3.177 7.500 ( -0.595 -1.941 3.930) 4.423 7.500 ( -0.595 1.942 3.930) 4.423 7.550 ( 2.132 -2.152 -5.363) 6.159 7.550 ( 2.132 2.152 -5.363) 6.159 7.980 ( 2.602 -5.002 1.831) 5.928 7.980 ( 2.602 5.002 1.831) 5.929 8.199 ( 0.716 -2.846 -3.651) 4.684 8.199 ( 0.716 2.846 -3.651) 4.684 8.618 ( 1.459 -3.601 0.739) 3.955 8.618 ( 1.459 3.601 0.739) 3.955 8.661 ( -1.781 -4.608 -0.431) 4.959 8.661 ( -1.781 4.608 -0.431) 4.959 9.112 ( -2.187 -3.042 0.181) 3.751 9.112 ( -2.187 3.042 0.181) 3.751 9.239 ( -1.489 -0.683 -0.537) 1.724 9.239 ( -1.489 0.683 -0.537) 1.724 9.294 ( -0.510 -1.050 -0.611) 1.317 9.294 ( -0.510 1.050 -0.611) 1.317 9.668 ( 0.209 -1.758 0.852) 1.965 9.668 ( 0.209 1.758 0.852) 1.965 10.915 ( -0.098 -6.162 5.915) 8.542 10.915 ( -0.098 6.162 5.915) 8.542 10.991 ( -2.621 -5.683 -5.471) 8.313 10.991 ( -2.621 5.684 -5.471) 8.313 16.411 ( 0.058 -0.103 -0.034) 0.123 16.411 ( 0.058 0.103 -0.034) 0.123 16.453 ( -0.061 -0.157 0.019) 0.169 16.453 ( -0.061 0.157 0.019) 0.169 18.407 ( 0.552 -2.809 0.015) 2.863 18.407 ( 0.552 2.809 0.015) 2.863 18.440 ( -0.560 -2.548 -0.013) 2.609 18.440 ( -0.560 2.548 -0.013) 2.609 21.648 ( 0.705 -0.801 0.565) 1.207 21.648 ( 0.705 0.801 0.565) 1.207 21.691 ( -0.891 -1.202 -0.576) 1.603 21.691 ( -0.891 1.202 -0.576) 1.603 27.275 ( 0.439 -0.910 -0.058) 1.012 27.275 ( 0.439 0.910 -0.058) 1.012 27.335 ( -0.359 -0.854 0.045) 0.927 27.335 ( -0.360 0.854 0.045) 0.927 36.218 ( 1.131 -0.929 0.214) 1.479 36.218 ( 1.131 0.929 0.214) 1.479 36.828 ( 1.506 -0.410 -0.125) 1.565 36.828 ( 1.506 0.410 -0.125) 1.565 38.085 ( -1.496 -3.489 -1.462) 4.068 38.085 ( -1.496 3.489 -1.462) 4.068 38.116 ( -4.721 -3.865 1.399) 6.260 38.116 ( -4.721 3.865 1.399) 6.260 =================== 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 3/26208 10.0 449.905 818.741 713.286 0.000 -5.739 0.000 3/26208 20.0 205.027 264.482 246.772 0.000 -23.841 0.000 3/26208 30.0 88.188 97.797 87.553 0.000 -7.867 0.000 3/26208 40.0 49.179 49.608 42.679 0.000 -3.259 0.000 3/26208 50.0 32.124 30.791 25.796 0.000 -1.638 0.000 3/26208 60.0 23.217 21.677 17.796 0.000 -0.933 0.000 3/26208 70.0 17.964 16.547 13.376 0.000 -0.579 0.000 3/26208 80.0 14.582 13.338 10.658 0.000 -0.384 0.000 3/26208 90.0 12.258 11.168 8.850 0.000 -0.268 0.000 3/26208 100.0 10.576 9.614 7.573 0.000 -0.196 0.000 3/26208 110.0 9.308 8.450 6.629 0.000 -0.149 0.000 3/26208 120.0 8.321 7.546 5.902 0.000 -0.116 0.000 3/26208 130.0 7.530 6.824 5.327 0.000 -0.094 0.000 3/26208 140.0 6.883 6.233 4.859 0.000 -0.078 0.000 3/26208 150.0 6.342 5.741 4.471 0.000 -0.066 0.000 3/26208 160.0 5.884 5.324 4.144 0.000 -0.057 0.000 3/26208 170.0 5.490 4.966 3.864 0.000 -0.050 0.000 3/26208 180.0 5.148 4.655 3.621 0.000 -0.044 0.000 3/26208 190.0 4.848 4.382 3.408 0.000 -0.040 0.000 3/26208 200.0 4.582 4.141 3.220 0.000 -0.036 0.000 3/26208 210.0 4.344 3.925 3.052 0.000 -0.033 0.000 3/26208 220.0 4.132 3.733 2.902 0.000 -0.031 0.000 3/26208 230.0 3.939 3.558 2.767 0.000 -0.029 0.000 3/26208 240.0 3.765 3.400 2.644 0.000 -0.027 0.000 3/26208 250.0 3.606 3.256 2.532 0.000 -0.025 0.000 3/26208 260.0 3.460 3.125 2.429 0.000 -0.024 0.000 3/26208 270.0 3.326 3.004 2.335 0.000 -0.023 0.000 3/26208 280.0 3.203 2.892 2.248 0.000 -0.022 0.000 3/26208 290.0 3.089 2.789 2.167 0.000 -0.021 0.000 3/26208 300.0 2.983 2.693 2.093 0.000 -0.020 0.000 3/26208 310.0 2.884 2.604 2.023 0.000 -0.019 0.000 3/26208 320.0 2.792 2.521 1.958 0.000 -0.018 0.000 3/26208 330.0 2.706 2.443 1.898 0.000 -0.018 0.000 3/26208 340.0 2.625 2.370 1.841 0.000 -0.017 0.000 3/26208 350.0 2.550 2.302 1.787 0.000 -0.016 0.000 3/26208 360.0 2.478 2.238 1.737 0.000 -0.016 0.000 3/26208 370.0 2.411 2.177 1.689 0.000 -0.015 0.000 3/26208 380.0 2.348 2.120 1.645 0.000 -0.015 0.000 3/26208 390.0 2.288 2.066 1.602 0.000 -0.014 0.000 3/26208 400.0 2.231 2.015 1.562 0.000 -0.014 0.000 3/26208 410.0 2.177 1.966 1.524 0.000 -0.014 0.000 3/26208 420.0 2.126 1.920 1.488 0.000 -0.013 0.000 3/26208 430.0 2.077 1.876 1.453 0.000 -0.013 0.000 3/26208 440.0 2.031 1.835 1.420 0.000 -0.013 0.000 3/26208 450.0 1.987 1.795 1.389 0.000 -0.012 0.000 3/26208 460.0 1.945 1.757 1.359 0.000 -0.012 0.000 3/26208 470.0 1.904 1.720 1.330 0.000 -0.012 0.000 3/26208 480.0 1.866 1.686 1.303 0.000 -0.011 0.000 3/26208 490.0 1.829 1.652 1.276 0.000 -0.011 0.000 3/26208 500.0 1.793 1.621 1.251 0.000 -0.011 0.000 3/26208 510.0 1.759 1.590 1.227 0.000 -0.011 0.000 3/26208 520.0 1.727 1.561 1.204 0.000 -0.010 0.000 3/26208 530.0 1.695 1.532 1.181 0.000 -0.010 0.000 3/26208 540.0 1.665 1.505 1.160 0.000 -0.010 0.000 3/26208 550.0 1.636 1.479 1.139 0.000 -0.010 0.000 3/26208 560.0 1.608 1.454 1.119 0.000 -0.010 0.000 3/26208 570.0 1.581 1.430 1.100 0.000 -0.009 0.000 3/26208 580.0 1.555 1.406 1.081 0.000 -0.009 0.000 3/26208 590.0 1.530 1.384 1.063 0.000 -0.009 0.000 3/26208 600.0 1.506 1.362 1.046 0.000 -0.009 0.000 3/26208 610.0 1.482 1.341 1.029 0.000 -0.009 0.000 3/26208 620.0 1.460 1.320 1.013 0.000 -0.008 0.000 3/26208 630.0 1.438 1.300 0.997 0.000 -0.008 0.000 3/26208 640.0 1.416 1.281 0.982 0.000 -0.008 0.000 3/26208 650.0 1.396 1.263 0.967 0.000 -0.008 0.000 3/26208 660.0 1.376 1.245 0.953 0.000 -0.008 0.000 3/26208 670.0 1.356 1.227 0.939 0.000 -0.008 0.000 3/26208 680.0 1.338 1.210 0.926 0.000 -0.008 0.000 3/26208 690.0 1.319 1.194 0.913 0.000 -0.007 0.000 3/26208 700.0 1.302 1.178 0.900 0.000 -0.007 0.000 3/26208 710.0 1.284 1.163 0.888 0.000 -0.007 0.000 3/26208 720.0 1.268 1.147 0.876 0.000 -0.007 0.000 3/26208 730.0 1.251 1.133 0.864 0.000 -0.007 0.000 3/26208 740.0 1.236 1.119 0.853 0.000 -0.007 0.000 3/26208 750.0 1.220 1.105 0.842 0.000 -0.007 0.000 3/26208 760.0 1.205 1.091 0.831 0.000 -0.007 0.000 3/26208 770.0 1.190 1.078 0.821 0.000 -0.006 0.000 3/26208 780.0 1.176 1.065 0.811 0.000 -0.006 0.000 3/26208 790.0 1.162 1.053 0.801 0.000 -0.006 0.000 3/26208 800.0 1.149 1.041 0.791 0.000 -0.006 0.000 3/26208 810.0 1.136 1.029 0.781 0.000 -0.006 0.000 3/26208 820.0 1.123 1.017 0.772 0.000 -0.006 0.000 3/26208 830.0 1.110 1.006 0.763 0.000 -0.006 0.000 3/26208 840.0 1.098 0.995 0.754 0.000 -0.006 0.000 3/26208 850.0 1.086 0.984 0.746 0.000 -0.006 0.000 3/26208 860.0 1.074 0.973 0.738 0.000 -0.006 0.000 3/26208 870.0 1.063 0.963 0.729 0.000 -0.005 0.000 3/26208 880.0 1.051 0.953 0.721 0.000 -0.005 0.000 3/26208 890.0 1.040 0.943 0.714 0.000 -0.005 0.000 3/26208 900.0 1.030 0.933 0.706 0.000 -0.005 0.000 3/26208 910.0 1.019 0.924 0.698 0.000 -0.005 0.000 3/26208 920.0 1.009 0.915 0.691 0.000 -0.005 0.000 3/26208 930.0 0.999 0.906 0.684 0.000 -0.005 0.000 3/26208 940.0 0.989 0.897 0.677 0.000 -0.005 0.000 3/26208 950.0 0.979 0.888 0.670 0.000 -0.005 0.000 3/26208 960.0 0.970 0.880 0.663 0.000 -0.005 0.000 3/26208 970.0 0.961 0.871 0.657 0.000 -0.005 0.000 3/26208 980.0 0.952 0.863 0.650 0.000 -0.005 0.000 3/26208 990.0 0.943 0.855 0.644 0.000 -0.005 0.000 3/26208 1000.0 0.934 0.848 0.638 0.000 -0.005 0.000 3/26208 Thermal conductivity related properties were written into "kappa-m1364.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:05:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|