----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:35:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 4.120074830127789 0.000000000000000 0.000000000000000 b 0.000000000000000 9.317256610000001 0.000000000000000 c -1.220103199935389 0.000000000000000 8.241406320636749 Atomic positions (fractional): *1 Ba 0.63523578564798 0.70193633181241 0.12153153976024 137.327 2 Ba 0.36476421435202 0.20193633181241 0.37846846023976 137.327 3 Ba 0.36476421435202 0.29806366818759 0.87846846023976 137.327 4 Ba 0.63523578564798 0.79806366818759 0.62153153976024 137.327 *5 H 0.95631948906115 0.39737822790477 0.15636233307566 1.008 6 H 0.04368051093885 0.89737822790477 0.34363766692434 1.008 7 H 0.04368051093885 0.60262177209523 0.84363766692435 1.008 8 H 0.95631948906115 0.10262177209523 0.65636233307565 1.008 *9 H 0.78082686265668 0.07406412535617 0.12975841241566 1.008 10 H 0.21917313734332 0.57406412535617 0.37024158758434 1.008 11 H 0.21917313734332 0.92593587464383 0.87024158758434 1.008 12 H 0.78082686265668 0.42593587464383 0.62975841241566 1.008 *13 O 0.16131130577883 0.49799452622711 0.14435712504494 15.999 14 O 0.83868869422117 0.99799452622711 0.35564287495506 15.999 15 O 0.83868869422117 0.50200547377289 0.85564287495506 15.999 16 O 0.16131130577883 0.00200547377289 0.64435712504494 15.999 *17 O 0.78974414632341 0.29983170517009 0.16998544469635 15.999 18 O 0.21025585367659 0.79983170517009 0.33001455530365 15.999 19 O 0.21025585367659 0.70016829482991 0.83001455530365 15.999 20 O 0.78974414632341 0.20016829482991 0.66998544469635 15.999 *21 O 0.93721771794358 0.19025731229262 0.07480965170168 15.999 22 O 0.06278228205642 0.69025731229262 0.42519034829832 15.999 23 O 0.06278228205642 0.80974268770738 0.92519034829832 15.999 24 O 0.93721771794358 0.30974268770738 0.57480965170168 15.999 *25 O 0.64410556585572 0.99571611743615 0.19251942017577 15.999 26 O 0.35589443414428 0.49571611743615 0.30748057982423 15.999 27 O 0.35589443414428 0.00428388256385 0.80748057982423 15.999 28 O 0.64410556585572 0.50428388256385 0.69251942017577 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.120074830127789 0.000000000000000 0.000000000000000 b 0.000000000000000 9.317256610000001 0.000000000000000 c -1.220103199935389 0.000000000000000 8.241406320636749 Atomic positions (fractional): *1 Ba 0.63523578564798 0.70193633181241 0.12153153976024 137.327 > 1 2 Ba 0.36476421435202 0.20193633181241 0.37846846023976 137.327 > 2 3 Ba 0.36476421435202 0.29806366818759 0.87846846023976 137.327 > 3 4 Ba 0.63523578564798 0.79806366818759 0.62153153976024 137.327 > 4 *5 H 0.95631948906115 0.39737822790477 0.15636233307566 1.008 > 5 6 H 0.04368051093885 0.89737822790477 0.34363766692434 1.008 > 6 7 H 0.04368051093885 0.60262177209523 0.84363766692435 1.008 > 7 8 H 0.95631948906115 0.10262177209523 0.65636233307565 1.008 > 8 *9 H 0.78082686265668 0.07406412535617 0.12975841241566 1.008 > 9 10 H 0.21917313734332 0.57406412535617 0.37024158758434 1.008 > 10 11 H 0.21917313734332 0.92593587464383 0.87024158758434 1.008 > 11 12 H 0.78082686265668 0.42593587464383 0.62975841241566 1.008 > 12 *13 O 0.16131130577883 0.49799452622711 0.14435712504494 15.999 > 13 14 O 0.83868869422117 0.99799452622711 0.35564287495506 15.999 > 14 15 O 0.83868869422117 0.50200547377289 0.85564287495506 15.999 > 15 16 O 0.16131130577883 0.00200547377289 0.64435712504494 15.999 > 16 *17 O 0.78974414632341 0.29983170517009 0.16998544469635 15.999 > 17 18 O 0.21025585367659 0.79983170517009 0.33001455530365 15.999 > 18 19 O 0.21025585367659 0.70016829482991 0.83001455530365 15.999 > 19 20 O 0.78974414632341 0.20016829482991 0.66998544469635 15.999 > 20 *21 O 0.93721771794358 0.19025731229262 0.07480965170168 15.999 > 21 22 O 0.06278228205642 0.69025731229262 0.42519034829832 15.999 > 22 23 O 0.06278228205642 0.80974268770738 0.92519034829832 15.999 > 23 24 O 0.93721771794358 0.30974268770738 0.57480965170168 15.999 > 24 *25 O 0.64410556585572 0.99571611743615 0.19251942017577 15.999 > 25 26 O 0.35589443414428 0.49571611743615 0.30748057982423 15.999 > 26 27 O 0.35589443414428 0.00428388256385 0.80748057982423 15.999 > 27 28 O 0.64410556585572 0.50428388256385 0.69251942017577 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.360224490383368 0.000000000000000 0.000000000000000 b 0.000000000000000 9.317256610000001 0.000000000000000 c -1.220103199935389 0.000000000000000 8.241406320636749 Atomic positions (fractional): *1 Ba 0.21174526188266 0.70193633181241 0.12153153976024 137.327 > 1 2 Ba 0.54507859521599 0.70193633181241 0.12153153976024 137.327 > 1 3 Ba 0.87841192854933 0.70193633181241 0.12153153976024 137.327 > 1 4 Ba 0.12158807145067 0.20193633181241 0.37846846023976 137.327 > 2 5 Ba 0.45492140478401 0.20193633181241 0.37846846023976 137.327 > 2 6 Ba 0.78825473811734 0.20193633181241 0.37846846023976 137.327 > 2 7 Ba 0.12158807145067 0.29806366818759 0.87846846023976 137.327 > 3 8 Ba 0.45492140478401 0.29806366818759 0.87846846023976 137.327 > 3 9 Ba 0.78825473811734 0.29806366818759 0.87846846023976 137.327 > 3 10 Ba 0.21174526188266 0.79806366818759 0.62153153976024 137.327 > 4 11 Ba 0.54507859521599 0.79806366818759 0.62153153976024 137.327 > 4 12 Ba 0.87841192854933 0.79806366818759 0.62153153976024 137.327 > 4 *13 H 0.31877316302038 0.39737822790477 0.15636233307566 1.008 > 5 14 H 0.65210649635372 0.39737822790477 0.15636233307566 1.008 > 5 15 H 0.98543982968705 0.39737822790477 0.15636233307566 1.008 > 5 16 H 0.01456017031295 0.89737822790477 0.34363766692434 1.008 > 6 17 H 0.34789350364628 0.89737822790477 0.34363766692434 1.008 > 6 18 H 0.68122683697962 0.89737822790477 0.34363766692434 1.008 > 6 19 H 0.01456017031295 0.60262177209523 0.84363766692435 1.008 > 7 20 H 0.34789350364628 0.60262177209523 0.84363766692435 1.008 > 7 21 H 0.68122683697962 0.60262177209523 0.84363766692435 1.008 > 7 22 H 0.31877316302038 0.10262177209523 0.65636233307565 1.008 > 8 23 H 0.65210649635372 0.10262177209523 0.65636233307565 1.008 > 8 24 H 0.98543982968705 0.10262177209523 0.65636233307565 1.008 > 8 *25 H 0.26027562088556 0.07406412535617 0.12975841241566 1.008 > 9 26 H 0.59360895421889 0.07406412535617 0.12975841241566 1.008 > 9 27 H 0.92694228755223 0.07406412535617 0.12975841241566 1.008 > 9 28 H 0.07305771244777 0.57406412535617 0.37024158758434 1.008 > 10 29 H 0.40639104578111 0.57406412535617 0.37024158758434 1.008 > 10 30 H 0.73972437911444 0.57406412535617 0.37024158758434 1.008 > 10 31 H 0.07305771244777 0.92593587464383 0.87024158758434 1.008 > 11 32 H 0.40639104578111 0.92593587464383 0.87024158758434 1.008 > 11 33 H 0.73972437911444 0.92593587464383 0.87024158758434 1.008 > 11 34 H 0.26027562088556 0.42593587464383 0.62975841241566 1.008 > 12 35 H 0.59360895421889 0.42593587464383 0.62975841241566 1.008 > 12 36 H 0.92694228755223 0.42593587464383 0.62975841241566 1.008 > 12 *37 O 0.05377043525961 0.49799452622711 0.14435712504494 15.999 > 13 38 O 0.38710376859294 0.49799452622711 0.14435712504494 15.999 > 13 39 O 0.72043710192628 0.49799452622711 0.14435712504494 15.999 > 13 40 O 0.27956289807372 0.99799452622711 0.35564287495506 15.999 > 14 41 O 0.61289623140706 0.99799452622711 0.35564287495506 15.999 > 14 42 O 0.94622956474039 0.99799452622711 0.35564287495506 15.999 > 14 43 O 0.27956289807372 0.50200547377289 0.85564287495506 15.999 > 15 44 O 0.61289623140706 0.50200547377289 0.85564287495506 15.999 > 15 45 O 0.94622956474039 0.50200547377289 0.85564287495506 15.999 > 15 46 O 0.05377043525961 0.00200547377289 0.64435712504494 15.999 > 16 47 O 0.38710376859294 0.00200547377289 0.64435712504494 15.999 > 16 48 O 0.72043710192628 0.00200547377289 0.64435712504494 15.999 > 16 *49 O 0.26324804877447 0.29983170517009 0.16998544469635 15.999 > 17 50 O 0.59658138210780 0.29983170517009 0.16998544469635 15.999 > 17 51 O 0.92991471544114 0.29983170517009 0.16998544469635 15.999 > 17 52 O 0.07008528455886 0.79983170517009 0.33001455530365 15.999 > 18 53 O 0.40341861789220 0.79983170517009 0.33001455530365 15.999 > 18 54 O 0.73675195122553 0.79983170517009 0.33001455530365 15.999 > 18 55 O 0.07008528455886 0.70016829482991 0.83001455530365 15.999 > 19 56 O 0.40341861789220 0.70016829482991 0.83001455530365 15.999 > 19 57 O 0.73675195122553 0.70016829482991 0.83001455530365 15.999 > 19 58 O 0.26324804877447 0.20016829482991 0.66998544469635 15.999 > 20 59 O 0.59658138210780 0.20016829482991 0.66998544469635 15.999 > 20 60 O 0.92991471544114 0.20016829482991 0.66998544469635 15.999 > 20 *61 O 0.31240590598119 0.19025731229262 0.07480965170168 15.999 > 21 62 O 0.64573923931453 0.19025731229262 0.07480965170168 15.999 > 21 63 O 0.97907257264786 0.19025731229262 0.07480965170168 15.999 > 21 64 O 0.02092742735214 0.69025731229262 0.42519034829832 15.999 > 22 65 O 0.35426076068547 0.69025731229262 0.42519034829832 15.999 > 22 66 O 0.68759409401881 0.69025731229262 0.42519034829832 15.999 > 22 67 O 0.02092742735214 0.80974268770738 0.92519034829832 15.999 > 23 68 O 0.35426076068547 0.80974268770738 0.92519034829832 15.999 > 23 69 O 0.68759409401881 0.80974268770738 0.92519034829832 15.999 > 23 70 O 0.31240590598119 0.30974268770738 0.57480965170168 15.999 > 24 71 O 0.64573923931453 0.30974268770738 0.57480965170168 15.999 > 24 72 O 0.97907257264786 0.30974268770738 0.57480965170168 15.999 > 24 *73 O 0.21470185528524 0.99571611743615 0.19251942017577 15.999 > 25 74 O 0.54803518861857 0.99571611743615 0.19251942017577 15.999 > 25 75 O 0.88136852195191 0.99571611743615 0.19251942017577 15.999 > 25 76 O 0.11863147804809 0.49571611743615 0.30748057982423 15.999 > 26 77 O 0.45196481138143 0.49571611743615 0.30748057982423 15.999 > 26 78 O 0.78529814471476 0.49571611743615 0.30748057982423 15.999 > 26 79 O 0.11863147804809 0.00428388256385 0.80748057982423 15.999 > 27 80 O 0.45196481138143 0.00428388256385 0.80748057982423 15.999 > 27 81 O 0.78529814471476 0.00428388256385 0.80748057982423 15.999 > 27 82 O 0.21470185528524 0.50428388256385 0.69251942017577 15.999 > 28 83 O 0.54803518861857 0.50428388256385 0.69251942017577 15.999 > 28 84 O 0.88136852195191 0.50428388256385 0.69251942017577 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1523633 0.0000000 0.0209577 0.0000000 3.1614167 0.0000000 0.0209589 0.0000000 3.1430082 -------------------------- Born effective charges -------------------------- 1 Ba 2.9489191 0.1119165 0.0687919 0.0830548 2.4594691 0.0940425 0.0871371 0.0489220 2.7352195 2 Ba 2.9489191 -0.1119165 0.0687919 -0.0830548 2.4594691 -0.0940425 0.0871371 -0.0489220 2.7352195 3 Ba 2.9489191 0.1119165 0.0687919 0.0830548 2.4594691 0.0940425 0.0871371 0.0489220 2.7352195 4 Ba 2.9489191 -0.1119165 0.0687919 -0.0830548 2.4594691 -0.0940425 0.0871371 -0.0489220 2.7352195 5 H 1.0226179 0.9333408 -0.0524075 1.1167523 1.6248992 -0.1582185 0.0770443 0.0281447 0.2256847 6 H 1.0226179 -0.9333408 -0.0524075 -1.1167523 1.6248992 0.1582185 0.0770443 -0.0281447 0.2256847 7 H 1.0226179 0.9333408 -0.0524075 1.1167523 1.6248992 -0.1582185 0.0770443 0.0281447 0.2256847 8 H 1.0226179 -0.9333408 -0.0524075 -1.1167523 1.6248992 0.1582185 0.0770443 -0.0281447 0.2256847 9 H 0.6523163 0.5731919 -0.3327932 0.8313545 1.4140404 -0.6432216 -0.5103754 -0.6848855 0.6031384 10 H 0.6523163 -0.5731919 -0.3327932 -0.8313545 1.4140404 0.6432216 -0.5103754 0.6848855 0.6031384 11 H 0.6523163 0.5731919 -0.3327932 0.8313545 1.4140404 -0.6432216 -0.5103754 -0.6848855 0.6031384 12 H 0.6523163 -0.5731919 -0.3327932 -0.8313545 1.4140404 0.6432216 -0.5103754 0.6848855 0.6031384 13 O -1.3274497 -0.3608288 0.2281764 -0.4914776 -1.5648443 -0.0085823 -0.0747813 -0.0591207 -0.4915242 14 O -1.3274497 0.3608288 0.2281764 0.4914776 -1.5648443 0.0085823 -0.0747813 0.0591207 -0.4915242 15 O -1.3274497 -0.3608288 0.2281764 -0.4914776 -1.5648443 -0.0085823 -0.0747813 -0.0591207 -0.4915242 16 O -1.3274497 0.3608288 0.2281764 0.4914776 -1.5648443 0.0085823 -0.0747813 0.0591207 -0.4915242 17 O -1.2621194 -0.5215413 -0.1118255 -0.5747544 -1.2800984 0.2503845 -0.1445644 0.1437482 -0.9979565 18 O -1.2621194 0.5215413 -0.1118255 0.5747544 -1.2800984 -0.2503845 -0.1445644 -0.1437482 -0.9979565 19 O -1.2621194 -0.5215413 -0.1118255 -0.5747544 -1.2800984 0.2503845 -0.1445644 0.1437482 -0.9979565 20 O -1.2621194 0.5215413 -0.1118255 0.5747544 -1.2800984 -0.2503845 -0.1445644 -0.1437482 -0.9979565 21 O -1.2619135 -0.3889624 0.0159053 -0.3855285 -1.1513136 0.3836414 0.1006754 0.5298678 -1.1709122 22 O -1.2619135 0.3889624 0.0159053 0.3855285 -1.1513136 -0.3836414 0.1006754 -0.5298678 -1.1709122 23 O -1.2619135 -0.3889624 0.0159053 -0.3855285 -1.1513136 0.3836414 0.1006754 0.5298678 -1.1709122 24 O -1.2619135 0.3889624 0.0159053 0.3855285 -1.1513136 -0.3836414 0.1006754 -0.5298678 -1.1709122 25 O -0.7723708 -0.1810051 0.1841527 -0.2992973 -1.5021525 0.2369766 0.4648644 0.1267784 -0.9036497 26 O -0.7723708 0.1810051 0.1841527 0.2992973 -1.5021525 -0.2369766 0.4648644 -0.1267784 -0.9036497 27 O -0.7723708 -0.1810051 0.1841527 -0.2992973 -1.5021525 0.2369766 0.4648644 0.1267784 -0.9036497 28 O -0.7723708 0.1810051 0.1841527 0.2992973 -1.5021525 -0.2369766 0.4648644 -0.1267784 -0.9036497 ---------------------------------------------------------------------------- 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) 238 eigenvectors found. (2) Block: 588 / 588 (2) 74 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 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) 238 eigenvectors found. (2) Block: 588 / 588 (2) 74 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 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, 26), data: (588, 40) @ (40, 26) |-- (88, 74), data: True |-- (250, 238), data: True |-- (250, 236), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 26), data: (588, 40) @ (40, 26) |-- (88, 74), data: True |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 880 - Time: 0.641 Solver_block: 200 / 880 - Time: 0.550 Solver_block: 300 / 880 - Time: 0.550 Solver_block: 400 / 880 - Time: 0.543 Solver_block: 500 / 880 - Time: 0.543 Solver_block: 600 / 880 - Time: 0.551 Solver_block: 700 / 880 - Time: 0.547 Solver_block: 800 / 880 - Time: 0.547 Solver_block: 880 / 880 - Time: 0.462 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.059 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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) 238 eigenvectors found. (2) Block: 588 / 588 (2) 74 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 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) 238 eigenvectors found. (2) Block: 588 / 588 (2) 74 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 26 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, 26), data: (588, 40) @ (40, 26) |-- (88, 74), data: True |-- (250, 238), data: True |-- (250, 236), data: True |-- (588, 574), data: False |-- (588, 574), data: False |-- (588, 26), data: (588, 40) @ (40, 26) |-- (88, 74), data: True |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:35:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:35:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.120074830127789 0.000000000000000 0.000000000000000 b 0.000000000000000 9.317256610000001 0.000000000000000 c -1.220103199935389 0.000000000000000 8.241406320636749 Atomic positions (fractional): 1 Ba 0.63523578564798 0.70193633181241 0.12153153976024 137.327 2 Ba 0.36476421435202 0.20193633181241 0.37846846023976 137.327 3 Ba 0.36476421435202 0.29806366818759 0.87846846023976 137.327 4 Ba 0.63523578564798 0.79806366818759 0.62153153976024 137.327 5 H 0.95631948906115 0.39737822790477 0.15636233307566 1.008 6 H 0.04368051093885 0.89737822790477 0.34363766692434 1.008 7 H 0.04368051093885 0.60262177209523 0.84363766692435 1.008 8 H 0.95631948906115 0.10262177209523 0.65636233307565 1.008 9 H 0.78082686265668 0.07406412535617 0.12975841241566 1.008 10 H 0.21917313734332 0.57406412535617 0.37024158758434 1.008 11 H 0.21917313734332 0.92593587464383 0.87024158758434 1.008 12 H 0.78082686265668 0.42593587464383 0.62975841241566 1.008 13 O 0.16131130577883 0.49799452622711 0.14435712504494 15.999 14 O 0.83868869422117 0.99799452622711 0.35564287495506 15.999 15 O 0.83868869422117 0.50200547377289 0.85564287495506 15.999 16 O 0.16131130577883 0.00200547377289 0.64435712504494 15.999 17 O 0.78974414632341 0.29983170517009 0.16998544469635 15.999 18 O 0.21025585367659 0.79983170517009 0.33001455530365 15.999 19 O 0.21025585367659 0.70016829482991 0.83001455530365 15.999 20 O 0.78974414632341 0.20016829482991 0.66998544469635 15.999 21 O 0.93721771794358 0.19025731229262 0.07480965170168 15.999 22 O 0.06278228205642 0.69025731229262 0.42519034829832 15.999 23 O 0.06278228205642 0.80974268770738 0.92519034829832 15.999 24 O 0.93721771794358 0.30974268770738 0.57480965170168 15.999 25 O 0.64410556585572 0.99571611743615 0.19251942017577 15.999 26 O 0.35589443414428 0.49571611743615 0.30748057982423 15.999 27 O 0.35589443414428 0.00428388256385 0.80748057982423 15.999 28 O 0.64410556585572 0.50428388256385 0.69251942017577 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.360224490383368 0.000000000000000 0.000000000000000 b 0.000000000000000 9.317256610000001 0.000000000000000 c -1.220103199935389 0.000000000000000 8.241406320636749 Atomic positions (fractional): 1 Ba 0.21174526188266 0.70193633181241 0.12153153976024 137.327 > 1 2 Ba 0.54507859521599 0.70193633181241 0.12153153976024 137.327 > 1 3 Ba 0.87841192854933 0.70193633181241 0.12153153976024 137.327 > 1 4 Ba 0.12158807145067 0.20193633181241 0.37846846023976 137.327 > 4 5 Ba 0.45492140478401 0.20193633181241 0.37846846023976 137.327 > 4 6 Ba 0.78825473811734 0.20193633181241 0.37846846023976 137.327 > 4 7 Ba 0.12158807145067 0.29806366818759 0.87846846023976 137.327 > 7 8 Ba 0.45492140478401 0.29806366818759 0.87846846023976 137.327 > 7 9 Ba 0.78825473811734 0.29806366818759 0.87846846023976 137.327 > 7 10 Ba 0.21174526188266 0.79806366818759 0.62153153976024 137.327 > 10 11 Ba 0.54507859521599 0.79806366818759 0.62153153976024 137.327 > 10 12 Ba 0.87841192854933 0.79806366818759 0.62153153976024 137.327 > 10 13 H 0.31877316302038 0.39737822790477 0.15636233307566 1.008 > 13 14 H 0.65210649635372 0.39737822790477 0.15636233307566 1.008 > 13 15 H 0.98543982968705 0.39737822790477 0.15636233307566 1.008 > 13 16 H 0.01456017031295 0.89737822790477 0.34363766692434 1.008 > 16 17 H 0.34789350364628 0.89737822790477 0.34363766692434 1.008 > 16 18 H 0.68122683697962 0.89737822790477 0.34363766692434 1.008 > 16 19 H 0.01456017031295 0.60262177209523 0.84363766692435 1.008 > 19 20 H 0.34789350364628 0.60262177209523 0.84363766692435 1.008 > 19 21 H 0.68122683697962 0.60262177209523 0.84363766692435 1.008 > 19 22 H 0.31877316302038 0.10262177209523 0.65636233307565 1.008 > 22 23 H 0.65210649635372 0.10262177209523 0.65636233307565 1.008 > 22 24 H 0.98543982968705 0.10262177209523 0.65636233307565 1.008 > 22 25 H 0.26027562088556 0.07406412535617 0.12975841241566 1.008 > 25 26 H 0.59360895421889 0.07406412535617 0.12975841241566 1.008 > 25 27 H 0.92694228755223 0.07406412535617 0.12975841241566 1.008 > 25 28 H 0.07305771244777 0.57406412535617 0.37024158758434 1.008 > 28 29 H 0.40639104578111 0.57406412535617 0.37024158758434 1.008 > 28 30 H 0.73972437911444 0.57406412535617 0.37024158758434 1.008 > 28 31 H 0.07305771244777 0.92593587464383 0.87024158758434 1.008 > 31 32 H 0.40639104578111 0.92593587464383 0.87024158758434 1.008 > 31 33 H 0.73972437911444 0.92593587464383 0.87024158758434 1.008 > 31 34 H 0.26027562088556 0.42593587464383 0.62975841241566 1.008 > 34 35 H 0.59360895421889 0.42593587464383 0.62975841241566 1.008 > 34 36 H 0.92694228755223 0.42593587464383 0.62975841241566 1.008 > 34 37 O 0.05377043525961 0.49799452622711 0.14435712504494 15.999 > 37 38 O 0.38710376859294 0.49799452622711 0.14435712504494 15.999 > 37 39 O 0.72043710192628 0.49799452622711 0.14435712504494 15.999 > 37 40 O 0.27956289807372 0.99799452622711 0.35564287495506 15.999 > 40 41 O 0.61289623140706 0.99799452622711 0.35564287495506 15.999 > 40 42 O 0.94622956474039 0.99799452622711 0.35564287495506 15.999 > 40 43 O 0.27956289807372 0.50200547377289 0.85564287495506 15.999 > 43 44 O 0.61289623140706 0.50200547377289 0.85564287495506 15.999 > 43 45 O 0.94622956474039 0.50200547377289 0.85564287495506 15.999 > 43 46 O 0.05377043525961 0.00200547377289 0.64435712504494 15.999 > 46 47 O 0.38710376859294 0.00200547377289 0.64435712504494 15.999 > 46 48 O 0.72043710192628 0.00200547377289 0.64435712504494 15.999 > 46 49 O 0.26324804877447 0.29983170517009 0.16998544469635 15.999 > 49 50 O 0.59658138210780 0.29983170517009 0.16998544469635 15.999 > 49 51 O 0.92991471544114 0.29983170517009 0.16998544469635 15.999 > 49 52 O 0.07008528455886 0.79983170517009 0.33001455530365 15.999 > 52 53 O 0.40341861789220 0.79983170517009 0.33001455530365 15.999 > 52 54 O 0.73675195122553 0.79983170517009 0.33001455530365 15.999 > 52 55 O 0.07008528455886 0.70016829482991 0.83001455530365 15.999 > 55 56 O 0.40341861789220 0.70016829482991 0.83001455530365 15.999 > 55 57 O 0.73675195122553 0.70016829482991 0.83001455530365 15.999 > 55 58 O 0.26324804877447 0.20016829482991 0.66998544469635 15.999 > 58 59 O 0.59658138210780 0.20016829482991 0.66998544469635 15.999 > 58 60 O 0.92991471544114 0.20016829482991 0.66998544469635 15.999 > 58 61 O 0.31240590598119 0.19025731229262 0.07480965170168 15.999 > 61 62 O 0.64573923931453 0.19025731229262 0.07480965170168 15.999 > 61 63 O 0.97907257264786 0.19025731229262 0.07480965170168 15.999 > 61 64 O 0.02092742735214 0.69025731229262 0.42519034829832 15.999 > 64 65 O 0.35426076068547 0.69025731229262 0.42519034829832 15.999 > 64 66 O 0.68759409401881 0.69025731229262 0.42519034829832 15.999 > 64 67 O 0.02092742735214 0.80974268770738 0.92519034829832 15.999 > 67 68 O 0.35426076068547 0.80974268770738 0.92519034829832 15.999 > 67 69 O 0.68759409401881 0.80974268770738 0.92519034829832 15.999 > 67 70 O 0.31240590598119 0.30974268770738 0.57480965170168 15.999 > 70 71 O 0.64573923931453 0.30974268770738 0.57480965170168 15.999 > 70 72 O 0.97907257264786 0.30974268770738 0.57480965170168 15.999 > 70 73 O 0.21470185528524 0.99571611743615 0.19251942017577 15.999 > 73 74 O 0.54803518861857 0.99571611743615 0.19251942017577 15.999 > 73 75 O 0.88136852195191 0.99571611743615 0.19251942017577 15.999 > 73 76 O 0.11863147804809 0.49571611743615 0.30748057982423 15.999 > 76 77 O 0.45196481138143 0.49571611743615 0.30748057982423 15.999 > 76 78 O 0.78529814471476 0.49571611743615 0.30748057982423 15.999 > 76 79 O 0.11863147804809 0.00428388256385 0.80748057982423 15.999 > 79 80 O 0.45196481138143 0.00428388256385 0.80748057982423 15.999 > 79 81 O 0.78529814471476 0.00428388256385 0.80748057982423 15.999 > 79 82 O 0.21470185528524 0.50428388256385 0.69251942017577 15.999 > 82 83 O 0.54803518861857 0.50428388256385 0.69251942017577 15.999 > 82 84 O 0.88136852195191 0.50428388256385 0.69251942017577 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1523633 0.0000000 0.0209577 0.0000000 3.1614167 0.0000000 0.0209589 0.0000000 3.1430082 -------------------------- Born effective charges -------------------------- 1 Ba 2.9489191 0.1119165 0.0687919 0.0830548 2.4594691 0.0940425 0.0871371 0.0489220 2.7352195 2 Ba 2.9489191 -0.1119165 0.0687919 -0.0830548 2.4594691 -0.0940425 0.0871371 -0.0489220 2.7352195 3 Ba 2.9489191 0.1119165 0.0687919 0.0830548 2.4594691 0.0940425 0.0871371 0.0489220 2.7352195 4 Ba 2.9489191 -0.1119165 0.0687919 -0.0830548 2.4594691 -0.0940425 0.0871371 -0.0489220 2.7352195 5 H 1.0226179 0.9333408 -0.0524075 1.1167523 1.6248992 -0.1582185 0.0770443 0.0281447 0.2256847 6 H 1.0226179 -0.9333408 -0.0524075 -1.1167523 1.6248992 0.1582185 0.0770443 -0.0281447 0.2256847 7 H 1.0226179 0.9333408 -0.0524075 1.1167523 1.6248992 -0.1582185 0.0770443 0.0281447 0.2256847 8 H 1.0226179 -0.9333408 -0.0524075 -1.1167523 1.6248992 0.1582185 0.0770443 -0.0281447 0.2256847 9 H 0.6523163 0.5731919 -0.3327932 0.8313545 1.4140404 -0.6432216 -0.5103754 -0.6848855 0.6031384 10 H 0.6523163 -0.5731919 -0.3327932 -0.8313545 1.4140404 0.6432216 -0.5103754 0.6848855 0.6031384 11 H 0.6523163 0.5731919 -0.3327932 0.8313545 1.4140404 -0.6432216 -0.5103754 -0.6848855 0.6031384 12 H 0.6523163 -0.5731919 -0.3327932 -0.8313545 1.4140404 0.6432216 -0.5103754 0.6848855 0.6031384 13 O -1.3274497 -0.3608288 0.2281764 -0.4914776 -1.5648443 -0.0085823 -0.0747813 -0.0591207 -0.4915242 14 O -1.3274497 0.3608288 0.2281764 0.4914776 -1.5648443 0.0085823 -0.0747813 0.0591207 -0.4915242 15 O -1.3274497 -0.3608288 0.2281764 -0.4914776 -1.5648443 -0.0085823 -0.0747813 -0.0591207 -0.4915242 16 O -1.3274497 0.3608288 0.2281764 0.4914776 -1.5648443 0.0085823 -0.0747813 0.0591207 -0.4915242 17 O -1.2621194 -0.5215413 -0.1118255 -0.5747544 -1.2800984 0.2503845 -0.1445644 0.1437482 -0.9979565 18 O -1.2621194 0.5215413 -0.1118255 0.5747544 -1.2800984 -0.2503845 -0.1445644 -0.1437482 -0.9979565 19 O -1.2621194 -0.5215413 -0.1118255 -0.5747544 -1.2800984 0.2503845 -0.1445644 0.1437482 -0.9979565 20 O -1.2621194 0.5215413 -0.1118255 0.5747544 -1.2800984 -0.2503845 -0.1445644 -0.1437482 -0.9979565 21 O -1.2619135 -0.3889624 0.0159053 -0.3855285 -1.1513136 0.3836414 0.1006754 0.5298678 -1.1709122 22 O -1.2619135 0.3889624 0.0159053 0.3855285 -1.1513136 -0.3836414 0.1006754 -0.5298678 -1.1709122 23 O -1.2619135 -0.3889624 0.0159053 -0.3855285 -1.1513136 0.3836414 0.1006754 0.5298678 -1.1709122 24 O -1.2619135 0.3889624 0.0159053 0.3855285 -1.1513136 -0.3836414 0.1006754 -0.5298678 -1.1709122 25 O -0.7723708 -0.1810051 0.1841527 -0.2992973 -1.5021525 0.2369766 0.4648644 0.1267784 -0.9036497 26 O -0.7723708 0.1810051 0.1841527 0.2992973 -1.5021525 -0.2369766 0.4648644 -0.1267784 -0.9036497 27 O -0.7723708 -0.1810051 0.1841527 -0.2992973 -1.5021525 0.2369766 0.4648644 0.1267784 -0.9036497 28 O -0.7723708 0.1810051 0.1841527 0.2992973 -1.5021525 -0.2369766 0.4648644 -0.1267784 -0.9036497 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 20:35:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:35:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.120074830127789 0.000000000000000 0.000000000000000 b 0.000000000000000 9.317256610000001 0.000000000000000 c -1.220103199935389 0.000000000000000 8.241406320636749 Atomic positions (fractional): 1 Ba 0.63523578564798 0.70193633181241 0.12153153976024 137.327 2 Ba 0.36476421435202 0.20193633181241 0.37846846023976 137.327 3 Ba 0.36476421435202 0.29806366818759 0.87846846023976 137.327 4 Ba 0.63523578564798 0.79806366818759 0.62153153976024 137.327 5 H 0.95631948906115 0.39737822790477 0.15636233307566 1.008 6 H 0.04368051093885 0.89737822790477 0.34363766692434 1.008 7 H 0.04368051093885 0.60262177209523 0.84363766692435 1.008 8 H 0.95631948906115 0.10262177209523 0.65636233307565 1.008 9 H 0.78082686265668 0.07406412535617 0.12975841241566 1.008 10 H 0.21917313734332 0.57406412535617 0.37024158758434 1.008 11 H 0.21917313734332 0.92593587464383 0.87024158758434 1.008 12 H 0.78082686265668 0.42593587464383 0.62975841241566 1.008 13 O 0.16131130577883 0.49799452622711 0.14435712504494 15.999 14 O 0.83868869422117 0.99799452622711 0.35564287495506 15.999 15 O 0.83868869422117 0.50200547377289 0.85564287495506 15.999 16 O 0.16131130577883 0.00200547377289 0.64435712504494 15.999 17 O 0.78974414632341 0.29983170517009 0.16998544469635 15.999 18 O 0.21025585367659 0.79983170517009 0.33001455530365 15.999 19 O 0.21025585367659 0.70016829482991 0.83001455530365 15.999 20 O 0.78974414632341 0.20016829482991 0.66998544469635 15.999 21 O 0.93721771794358 0.19025731229262 0.07480965170168 15.999 22 O 0.06278228205642 0.69025731229262 0.42519034829832 15.999 23 O 0.06278228205642 0.80974268770738 0.92519034829832 15.999 24 O 0.93721771794358 0.30974268770738 0.57480965170168 15.999 25 O 0.64410556585572 0.99571611743615 0.19251942017577 15.999 26 O 0.35589443414428 0.49571611743615 0.30748057982423 15.999 27 O 0.35589443414428 0.00428388256385 0.80748057982423 15.999 28 O 0.64410556585572 0.50428388256385 0.69251942017577 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.360224490383368 0.000000000000000 0.000000000000000 b 0.000000000000000 9.317256610000001 0.000000000000000 c -1.220103199935389 0.000000000000000 8.241406320636749 Atomic positions (fractional): 1 Ba 0.21174526188266 0.70193633181241 0.12153153976024 137.327 > 1 2 Ba 0.54507859521599 0.70193633181241 0.12153153976024 137.327 > 1 3 Ba 0.87841192854933 0.70193633181241 0.12153153976024 137.327 > 1 4 Ba 0.12158807145067 0.20193633181241 0.37846846023976 137.327 > 4 5 Ba 0.45492140478401 0.20193633181241 0.37846846023976 137.327 > 4 6 Ba 0.78825473811734 0.20193633181241 0.37846846023976 137.327 > 4 7 Ba 0.12158807145067 0.29806366818759 0.87846846023976 137.327 > 7 8 Ba 0.45492140478401 0.29806366818759 0.87846846023976 137.327 > 7 9 Ba 0.78825473811734 0.29806366818759 0.87846846023976 137.327 > 7 10 Ba 0.21174526188266 0.79806366818759 0.62153153976024 137.327 > 10 11 Ba 0.54507859521599 0.79806366818759 0.62153153976024 137.327 > 10 12 Ba 0.87841192854933 0.79806366818759 0.62153153976024 137.327 > 10 13 H 0.31877316302038 0.39737822790477 0.15636233307566 1.008 > 13 14 H 0.65210649635372 0.39737822790477 0.15636233307566 1.008 > 13 15 H 0.98543982968705 0.39737822790477 0.15636233307566 1.008 > 13 16 H 0.01456017031295 0.89737822790477 0.34363766692434 1.008 > 16 17 H 0.34789350364628 0.89737822790477 0.34363766692434 1.008 > 16 18 H 0.68122683697962 0.89737822790477 0.34363766692434 1.008 > 16 19 H 0.01456017031295 0.60262177209523 0.84363766692435 1.008 > 19 20 H 0.34789350364628 0.60262177209523 0.84363766692435 1.008 > 19 21 H 0.68122683697962 0.60262177209523 0.84363766692435 1.008 > 19 22 H 0.31877316302038 0.10262177209523 0.65636233307565 1.008 > 22 23 H 0.65210649635372 0.10262177209523 0.65636233307565 1.008 > 22 24 H 0.98543982968705 0.10262177209523 0.65636233307565 1.008 > 22 25 H 0.26027562088556 0.07406412535617 0.12975841241566 1.008 > 25 26 H 0.59360895421889 0.07406412535617 0.12975841241566 1.008 > 25 27 H 0.92694228755223 0.07406412535617 0.12975841241566 1.008 > 25 28 H 0.07305771244777 0.57406412535617 0.37024158758434 1.008 > 28 29 H 0.40639104578111 0.57406412535617 0.37024158758434 1.008 > 28 30 H 0.73972437911444 0.57406412535617 0.37024158758434 1.008 > 28 31 H 0.07305771244777 0.92593587464383 0.87024158758434 1.008 > 31 32 H 0.40639104578111 0.92593587464383 0.87024158758434 1.008 > 31 33 H 0.73972437911444 0.92593587464383 0.87024158758434 1.008 > 31 34 H 0.26027562088556 0.42593587464383 0.62975841241566 1.008 > 34 35 H 0.59360895421889 0.42593587464383 0.62975841241566 1.008 > 34 36 H 0.92694228755223 0.42593587464383 0.62975841241566 1.008 > 34 37 O 0.05377043525961 0.49799452622711 0.14435712504494 15.999 > 37 38 O 0.38710376859294 0.49799452622711 0.14435712504494 15.999 > 37 39 O 0.72043710192628 0.49799452622711 0.14435712504494 15.999 > 37 40 O 0.27956289807372 0.99799452622711 0.35564287495506 15.999 > 40 41 O 0.61289623140706 0.99799452622711 0.35564287495506 15.999 > 40 42 O 0.94622956474039 0.99799452622711 0.35564287495506 15.999 > 40 43 O 0.27956289807372 0.50200547377289 0.85564287495506 15.999 > 43 44 O 0.61289623140706 0.50200547377289 0.85564287495506 15.999 > 43 45 O 0.94622956474039 0.50200547377289 0.85564287495506 15.999 > 43 46 O 0.05377043525961 0.00200547377289 0.64435712504494 15.999 > 46 47 O 0.38710376859294 0.00200547377289 0.64435712504494 15.999 > 46 48 O 0.72043710192628 0.00200547377289 0.64435712504494 15.999 > 46 49 O 0.26324804877447 0.29983170517009 0.16998544469635 15.999 > 49 50 O 0.59658138210780 0.29983170517009 0.16998544469635 15.999 > 49 51 O 0.92991471544114 0.29983170517009 0.16998544469635 15.999 > 49 52 O 0.07008528455886 0.79983170517009 0.33001455530365 15.999 > 52 53 O 0.40341861789220 0.79983170517009 0.33001455530365 15.999 > 52 54 O 0.73675195122553 0.79983170517009 0.33001455530365 15.999 > 52 55 O 0.07008528455886 0.70016829482991 0.83001455530365 15.999 > 55 56 O 0.40341861789220 0.70016829482991 0.83001455530365 15.999 > 55 57 O 0.73675195122553 0.70016829482991 0.83001455530365 15.999 > 55 58 O 0.26324804877447 0.20016829482991 0.66998544469635 15.999 > 58 59 O 0.59658138210780 0.20016829482991 0.66998544469635 15.999 > 58 60 O 0.92991471544114 0.20016829482991 0.66998544469635 15.999 > 58 61 O 0.31240590598119 0.19025731229262 0.07480965170168 15.999 > 61 62 O 0.64573923931453 0.19025731229262 0.07480965170168 15.999 > 61 63 O 0.97907257264786 0.19025731229262 0.07480965170168 15.999 > 61 64 O 0.02092742735214 0.69025731229262 0.42519034829832 15.999 > 64 65 O 0.35426076068547 0.69025731229262 0.42519034829832 15.999 > 64 66 O 0.68759409401881 0.69025731229262 0.42519034829832 15.999 > 64 67 O 0.02092742735214 0.80974268770738 0.92519034829832 15.999 > 67 68 O 0.35426076068547 0.80974268770738 0.92519034829832 15.999 > 67 69 O 0.68759409401881 0.80974268770738 0.92519034829832 15.999 > 67 70 O 0.31240590598119 0.30974268770738 0.57480965170168 15.999 > 70 71 O 0.64573923931453 0.30974268770738 0.57480965170168 15.999 > 70 72 O 0.97907257264786 0.30974268770738 0.57480965170168 15.999 > 70 73 O 0.21470185528524 0.99571611743615 0.19251942017577 15.999 > 73 74 O 0.54803518861857 0.99571611743615 0.19251942017577 15.999 > 73 75 O 0.88136852195191 0.99571611743615 0.19251942017577 15.999 > 73 76 O 0.11863147804809 0.49571611743615 0.30748057982423 15.999 > 76 77 O 0.45196481138143 0.49571611743615 0.30748057982423 15.999 > 76 78 O 0.78529814471476 0.49571611743615 0.30748057982423 15.999 > 76 79 O 0.11863147804809 0.00428388256385 0.80748057982423 15.999 > 79 80 O 0.45196481138143 0.00428388256385 0.80748057982423 15.999 > 79 81 O 0.78529814471476 0.00428388256385 0.80748057982423 15.999 > 79 82 O 0.21470185528524 0.50428388256385 0.69251942017577 15.999 > 82 83 O 0.54803518861857 0.50428388256385 0.69251942017577 15.999 > 82 84 O 0.88136852195191 0.50428388256385 0.69251942017577 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1523633 0.0000000 0.0209577 0.0000000 3.1614167 0.0000000 0.0209589 0.0000000 3.1430082 -------------------------- Born effective charges -------------------------- 1 Ba 2.9489191 0.1119165 0.0687919 0.0830548 2.4594691 0.0940425 0.0871371 0.0489220 2.7352195 2 Ba 2.9489191 -0.1119165 0.0687919 -0.0830548 2.4594691 -0.0940425 0.0871371 -0.0489220 2.7352195 3 Ba 2.9489191 0.1119165 0.0687919 0.0830548 2.4594691 0.0940425 0.0871371 0.0489220 2.7352195 4 Ba 2.9489191 -0.1119165 0.0687919 -0.0830548 2.4594691 -0.0940425 0.0871371 -0.0489220 2.7352195 5 H 1.0226179 0.9333408 -0.0524075 1.1167523 1.6248992 -0.1582185 0.0770443 0.0281447 0.2256847 6 H 1.0226179 -0.9333408 -0.0524075 -1.1167523 1.6248992 0.1582185 0.0770443 -0.0281447 0.2256847 7 H 1.0226179 0.9333408 -0.0524075 1.1167523 1.6248992 -0.1582185 0.0770443 0.0281447 0.2256847 8 H 1.0226179 -0.9333408 -0.0524075 -1.1167523 1.6248992 0.1582185 0.0770443 -0.0281447 0.2256847 9 H 0.6523163 0.5731919 -0.3327932 0.8313545 1.4140404 -0.6432216 -0.5103754 -0.6848855 0.6031384 10 H 0.6523163 -0.5731919 -0.3327932 -0.8313545 1.4140404 0.6432216 -0.5103754 0.6848855 0.6031384 11 H 0.6523163 0.5731919 -0.3327932 0.8313545 1.4140404 -0.6432216 -0.5103754 -0.6848855 0.6031384 12 H 0.6523163 -0.5731919 -0.3327932 -0.8313545 1.4140404 0.6432216 -0.5103754 0.6848855 0.6031384 13 O -1.3274497 -0.3608288 0.2281764 -0.4914776 -1.5648443 -0.0085823 -0.0747813 -0.0591207 -0.4915242 14 O -1.3274497 0.3608288 0.2281764 0.4914776 -1.5648443 0.0085823 -0.0747813 0.0591207 -0.4915242 15 O -1.3274497 -0.3608288 0.2281764 -0.4914776 -1.5648443 -0.0085823 -0.0747813 -0.0591207 -0.4915242 16 O -1.3274497 0.3608288 0.2281764 0.4914776 -1.5648443 0.0085823 -0.0747813 0.0591207 -0.4915242 17 O -1.2621194 -0.5215413 -0.1118255 -0.5747544 -1.2800984 0.2503845 -0.1445644 0.1437482 -0.9979565 18 O -1.2621194 0.5215413 -0.1118255 0.5747544 -1.2800984 -0.2503845 -0.1445644 -0.1437482 -0.9979565 19 O -1.2621194 -0.5215413 -0.1118255 -0.5747544 -1.2800984 0.2503845 -0.1445644 0.1437482 -0.9979565 20 O -1.2621194 0.5215413 -0.1118255 0.5747544 -1.2800984 -0.2503845 -0.1445644 -0.1437482 -0.9979565 21 O -1.2619135 -0.3889624 0.0159053 -0.3855285 -1.1513136 0.3836414 0.1006754 0.5298678 -1.1709122 22 O -1.2619135 0.3889624 0.0159053 0.3855285 -1.1513136 -0.3836414 0.1006754 -0.5298678 -1.1709122 23 O -1.2619135 -0.3889624 0.0159053 -0.3855285 -1.1513136 0.3836414 0.1006754 0.5298678 -1.1709122 24 O -1.2619135 0.3889624 0.0159053 0.3855285 -1.1513136 -0.3836414 0.1006754 -0.5298678 -1.1709122 25 O -0.7723708 -0.1810051 0.1841527 -0.2992973 -1.5021525 0.2369766 0.4648644 0.1267784 -0.9036497 26 O -0.7723708 0.1810051 0.1841527 0.2992973 -1.5021525 -0.2369766 0.4648644 -0.1267784 -0.9036497 27 O -0.7723708 -0.1810051 0.1841527 -0.2992973 -1.5021525 0.2369766 0.4648644 0.1267784 -0.9036497 28 O -0.7723708 0.1810051 0.1841527 0.2992973 -1.5021525 -0.2369766 0.4648644 -0.1267784 -0.9036497 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 5 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 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 1.500 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.371 ( 0.000 0.000 0.000) 0.000 6.729 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.457 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 0.000) 0.000 8.322 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.847 ( 0.000 0.000 0.000) 0.000 13.342 ( 0.000 0.000 0.000) 0.000 13.434 ( 0.000 0.000 0.000) 0.000 15.066 ( 0.000 0.000 0.000) 0.000 15.183 ( 0.000 0.000 0.000) 0.000 16.901 ( 0.000 0.000 0.000) 0.000 17.281 ( 0.000 0.000 0.000) 0.000 17.603 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 26.741 ( 0.000 0.000 0.000) 0.000 26.781 ( 0.000 0.000 0.000) 0.000 26.989 ( 0.000 0.000 0.000) 0.000 27.019 ( 0.000 0.000 0.000) 0.000 27.198 ( 0.000 0.000 0.000) 0.000 27.315 ( 0.000 0.000 0.000) 0.000 27.335 ( 0.000 0.000 0.000) 0.000 27.335 ( 0.000 0.000 0.000) 0.000 33.992 ( 0.000 0.000 0.000) 0.000 34.228 ( 0.000 0.000 0.000) 0.000 38.021 ( 0.000 0.000 0.000) 0.000 38.105 ( 0.000 0.000 0.000) 0.000 38.132 ( 0.000 0.000 0.000) 0.000 38.261 ( 0.000 0.000 0.000) 0.000 39.599 ( 0.000 0.000 0.000) 0.000 40.606 ( 0.000 0.000 0.000) 0.000 41.492 ( 0.000 0.000 0.000) 0.000 41.598 ( 0.000 0.000 0.000) 0.000 42.271 ( 0.000 0.000 0.000) 0.000 42.432 ( 0.000 0.000 0.000) 0.000 44.602 ( 0.000 0.000 0.000) 0.000 44.716 ( 0.000 0.000 0.000) 0.000 44.732 ( 0.000 0.000 0.000) 0.000 44.811 ( 0.000 0.000 0.000) 0.000 45.538 ( 0.000 0.000 0.000) 0.000 45.855 ( 0.000 0.000 0.000) 0.000 45.919 ( 0.000 0.000 0.000) 0.000 46.199 ( 0.000 0.000 0.000) 0.000 54.110 ( 0.000 0.000 0.000) 0.000 54.778 ( 0.000 0.000 0.000) 0.000 54.853 ( 0.000 0.000 0.000) 0.000 56.176 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 0.550 ( 26.125 0.000 5.259) 26.649 0.553 ( 25.913 0.000 7.228) 26.902 0.956 ( 46.021 0.000 4.593) 46.249 1.589 ( 8.269 0.000 0.785) 8.306 1.877 ( 6.131 0.000 0.048) 6.131 2.439 ( 1.507 0.000 -12.632) 12.722 2.455 ( 4.856 0.000 0.500) 4.882 2.475 ( 0.142 0.000 8.912) 8.913 2.533 ( 0.588 0.000 -4.272) 4.313 3.084 ( -9.211 0.000 -1.007) 9.266 3.252 ( -4.860 0.000 -1.124) 4.988 3.462 ( 0.752 0.000 2.891) 2.987 3.766 ( 2.649 0.000 0.549) 2.705 3.943 ( 1.419 0.000 -0.977) 1.723 4.341 ( -2.067 0.000 2.073) 2.927 4.664 ( 2.938 0.000 -0.691) 3.019 4.744 ( -8.722 0.000 -1.216) 8.807 4.837 ( -7.888 0.000 1.042) 7.957 5.012 ( 1.347 0.000 -3.282) 3.547 5.144 ( -1.505 0.000 2.488) 2.908 5.229 ( 1.675 0.000 -1.346) 2.149 5.260 ( -6.099 0.000 -0.405) 6.112 5.353 ( -0.666 0.000 3.259) 3.326 5.387 ( -0.981 0.000 0.820) 1.279 5.423 ( 2.809 0.000 -1.661) 3.263 5.513 ( 1.580 0.000 1.024) 1.883 5.524 ( 1.960 0.000 -1.262) 2.332 5.992 ( -1.858 0.000 0.801) 2.023 6.362 ( -0.807 0.000 0.563) 0.984 6.642 ( 1.722 0.000 -22.296) 22.362 6.739 ( 1.341 0.000 -3.023) 3.307 6.944 ( -3.541 0.000 2.389) 4.271 7.186 ( -3.205 0.000 -2.211) 3.894 7.188 ( -2.079 0.000 3.978) 4.489 7.407 ( 3.344 0.000 0.294) 3.357 7.504 ( -1.024 0.000 8.635) 8.695 7.689 ( 2.025 0.000 0.911) 2.221 7.873 ( -3.185 0.000 -0.448) 3.216 8.106 ( -7.041 0.000 43.959) 44.519 8.239 ( -7.291 0.000 -2.673) 7.766 8.310 ( 1.506 0.000 -1.650) 2.234 8.678 ( -1.497 0.000 0.721) 1.661 9.395 ( -2.396 0.000 -1.005) 2.598 9.830 ( -1.674 0.000 -0.293) 1.699 13.353 ( 0.465 0.000 3.326) 3.359 13.441 ( 0.565 0.000 -0.138) 0.582 15.132 ( -4.707 0.000 0.350) 4.720 15.660 ( 3.356 0.000 -40.843) 40.981 16.931 ( 2.765 0.000 0.840) 2.890 17.261 ( -0.655 0.000 -3.447) 3.509 17.669 ( 4.890 0.000 3.137) 5.810 18.322 ( -0.722 0.000 -5.887) 5.931 26.745 ( 0.475 0.000 -0.084) 0.482 26.785 ( 0.400 0.000 -0.106) 0.413 26.986 ( -0.232 0.000 -0.124) 0.263 27.079 ( -0.009 0.000 -1.541) 1.541 27.199 ( 0.084 0.000 0.027) 0.089 27.315 ( -0.039 0.000 0.153) 0.158 27.331 ( -0.362 0.000 -0.174) 0.401 27.333 ( -0.189 0.000 -0.185) 0.265 34.043 ( 4.648 0.000 1.779) 4.977 34.277 ( 4.931 0.000 -0.966) 5.025 38.017 ( -1.034 0.000 3.705) 3.847 38.100 ( -0.201 0.000 -2.232) 2.242 38.118 ( -1.457 0.000 0.680) 1.608 38.350 ( 0.503 0.000 -4.129) 4.160 39.597 ( -0.185 0.000 0.535) 0.566 41.486 ( -0.526 0.000 0.124) 0.541 41.493 ( -1.485 0.000 10.747) 10.849 41.593 ( -0.423 0.000 0.206) 0.470 42.372 ( -5.938 0.000 1.615) 6.154 43.876 ( 1.201 0.000 -37.370) 37.389 44.571 ( -2.762 0.000 0.334) 2.782 44.725 ( -0.616 0.000 -0.367) 0.717 44.808 ( -0.274 0.000 -1.204) 1.235 45.544 ( 0.290 0.000 1.272) 1.305 45.669 ( -1.678 0.000 -3.624) 3.994 45.855 ( -0.619 0.000 2.116) 2.204 45.922 ( 0.235 0.000 0.001) 0.235 46.875 ( -27.047 0.000 -39.036) 47.491 54.134 ( 2.880 0.000 -5.691) 6.378 54.636 ( -11.112 0.000 21.318) 24.040 54.997 ( 10.890 0.000 -19.434) 22.278 56.447 ( 3.628 0.000 -93.042) 93.112 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 23.645 0.000 7.251) 24.732 1.081 ( 24.621 0.000 4.728) 25.071 1.762 ( 17.723 0.000 0.569) 17.733 1.926 ( 38.067 0.000 4.893) 38.381 2.047 ( 10.392 0.000 -1.273) 10.469 2.401 ( -1.361 0.000 -8.570) 8.677 2.501 ( -2.963 0.000 -5.458) 6.211 2.554 ( 5.745 0.000 2.235) 6.164 2.575 ( 5.605 0.000 -3.600) 6.662 2.886 ( -8.383 0.000 2.813) 8.842 3.138 ( -5.534 0.000 0.587) 5.565 3.459 ( -1.909 0.000 0.927) 2.122 3.845 ( 4.730 0.000 0.788) 4.795 3.944 ( -1.244 0.000 -2.964) 3.215 4.285 ( -3.897 0.000 -0.237) 3.904 4.554 ( -9.300 0.000 0.335) 9.306 4.669 ( -8.435 0.000 0.605) 8.457 4.731 ( 3.567 0.000 -1.013) 3.708 5.010 ( -0.571 0.000 -4.422) 4.459 5.099 ( -3.337 0.000 0.685) 3.406 5.129 ( -5.573 0.000 0.195) 5.577 5.206 ( -2.853 0.000 2.074) 3.527 5.349 ( -0.438 0.000 3.751) 3.776 5.393 ( -0.299 0.000 -2.223) 2.243 5.472 ( 1.607 0.000 0.500) 1.682 5.524 ( -0.909 0.000 -0.222) 0.936 5.572 ( 3.660 0.000 1.323) 3.892 5.952 ( -1.891 0.000 0.815) 2.059 6.350 ( -0.394 0.000 0.055) 0.397 6.594 ( -2.189 0.000 -6.756) 7.102 6.759 ( 1.745 0.000 -5.149) 5.437 6.860 ( -5.288 0.000 3.340) 6.254 7.093 ( -5.178 0.000 -3.463) 6.229 7.144 ( -3.137 0.000 2.213) 3.839 7.479 ( 3.335 0.000 -0.023) 3.336 7.494 ( -2.524 0.000 7.612) 8.019 7.743 ( 2.477 0.000 1.272) 2.785 7.791 ( -4.761 0.000 -0.248) 4.768 8.039 ( -10.047 0.000 -4.898) 11.177 8.088 ( -4.255 0.000 20.033) 20.480 8.333 ( 1.182 0.000 -2.409) 2.683 8.633 ( -3.312 0.000 1.787) 3.764 9.328 ( -3.656 0.000 -1.329) 3.890 9.781 ( -2.924 0.000 -0.538) 2.973 13.379 ( 0.743 0.000 5.353) 5.404 13.448 ( 0.073 0.000 -0.554) 0.559 15.015 ( -6.398 0.000 0.412) 6.411 15.581 ( -2.538 0.000 -16.984) 17.173 17.013 ( 4.795 0.000 1.489) 5.021 17.259 ( 1.760 0.000 -4.022) 4.390 17.773 ( 3.662 0.000 3.721) 5.220 18.276 ( -2.206 0.000 -4.555) 5.061 26.758 ( 0.808 0.000 -0.094) 0.814 26.795 ( 0.519 0.000 -0.161) 0.543 26.979 ( -0.417 0.000 -0.235) 0.478 27.072 ( -0.350 0.000 -0.553) 0.655 27.202 ( 0.193 0.000 0.074) 0.206 27.314 ( -0.091 0.000 0.299) 0.312 27.320 ( -0.677 0.000 -0.186) 0.702 27.326 ( -0.392 0.000 -0.283) 0.483 34.177 ( 7.495 0.000 2.501) 7.901 34.414 ( 8.622 0.000 -1.075) 8.689 38.000 ( -2.008 0.000 5.769) 6.109 38.081 ( -2.435 0.000 1.145) 2.691 38.086 ( -0.339 0.000 -3.082) 3.101 38.345 ( 0.046 0.000 -3.108) 3.108 39.596 ( -0.338 0.000 1.974) 2.002 41.472 ( -0.888 0.000 0.188) 0.908 41.496 ( -0.518 0.000 4.569) 4.598 41.582 ( -0.768 0.000 0.587) 0.967 42.216 ( -9.655 0.000 2.669) 10.017 43.698 ( -11.512 0.000 -26.353) 28.758 44.509 ( -3.124 0.000 0.092) 3.125 44.705 ( -1.161 0.000 -0.703) 1.357 44.788 ( -1.292 0.000 -1.279) 1.818 45.555 ( 0.315 0.000 1.746) 1.774 45.559 ( -14.224 0.000 -3.287) 14.599 45.776 ( -12.196 0.000 1.552) 12.294 45.925 ( -0.015 0.000 0.086) 0.087 46.121 ( -24.417 0.000 -12.714) 27.529 54.175 ( 3.175 0.000 -10.314) 10.792 54.487 ( -9.670 0.000 19.129) 21.435 55.137 ( 7.985 0.000 -16.395) 18.236 56.220 ( -5.749 0.000 -33.811) 34.297 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.533 ( 18.569 0.000 6.847) 19.791 1.563 ( 21.519 0.000 3.526) 21.805 2.023 ( 10.800 0.000 1.247) 10.872 2.257 ( 10.101 0.000 -2.508) 10.408 2.323 ( -2.513 0.000 -6.811) 7.260 2.356 ( -8.697 0.000 -5.735) 10.418 2.576 ( -4.280 0.000 -4.552) 6.248 2.725 ( 11.326 0.000 -1.036) 11.373 2.783 ( 39.452 0.000 3.314) 39.591 2.857 ( 3.212 0.000 3.857) 5.019 3.057 ( -2.929 0.000 4.695) 5.534 3.378 ( -6.039 0.000 -3.086) 6.781 3.880 ( -3.141 0.000 -5.015) 5.918 3.950 ( 5.018 0.000 0.418) 5.035 4.179 ( -6.099 0.000 -1.076) 6.193 4.380 ( -8.112 0.000 1.649) 8.278 4.520 ( -6.224 0.000 0.809) 6.276 4.793 ( 2.804 0.000 -1.578) 3.217 4.938 ( -5.050 0.000 0.086) 5.051 5.031 ( -3.016 0.000 -0.798) 3.120 5.086 ( 1.128 0.000 -2.108) 2.390 5.156 ( -3.042 0.000 5.523) 6.306 5.277 ( -5.210 0.000 -3.391) 6.216 5.437 ( 3.396 0.000 4.752) 5.841 5.469 ( -3.662 0.000 -0.867) 3.763 5.486 ( -0.639 0.000 0.329) 0.719 5.665 ( 4.552 0.000 1.295) 4.732 5.930 ( -0.246 0.000 -1.021) 1.050 6.346 ( 0.024 0.000 -1.022) 1.022 6.512 ( -4.950 0.000 0.118) 4.951 6.765 ( -4.707 0.000 3.176) 5.679 6.774 ( 1.314 0.000 -5.907) 6.051 6.957 ( -6.907 0.000 -3.718) 7.845 7.075 ( -4.394 0.000 2.587) 5.099 7.445 ( -4.396 0.000 6.645) 7.968 7.528 ( 1.395 0.000 -0.758) 1.588 7.653 ( -9.107 0.000 -0.879) 9.149 7.776 ( 0.022 0.000 1.122) 1.123 7.869 ( -4.299 0.000 -4.653) 6.335 8.055 ( -3.568 0.000 11.142) 11.700 8.343 ( 0.556 0.000 -2.500) 2.561 8.558 ( -4.467 0.000 2.432) 5.086 9.251 ( -3.431 0.000 -0.854) 3.536 9.716 ( -3.059 0.000 -0.451) 3.092 13.411 ( 0.711 0.000 5.814) 5.857 13.434 ( -1.265 0.000 -1.114) 1.686 14.892 ( -5.617 0.000 0.160) 5.619 15.461 ( -5.437 0.000 -8.188) 9.829 17.126 ( 5.693 0.000 1.776) 5.963 17.307 ( 4.014 0.000 -3.830) 5.548 17.824 ( 0.112 0.000 3.725) 3.727 18.209 ( -3.019 0.000 -4.136) 5.121 26.776 ( 0.914 0.000 -0.034) 0.915 26.804 ( 0.351 0.000 -0.149) 0.381 26.969 ( -0.484 0.000 -0.296) 0.567 27.062 ( -0.523 0.000 -0.176) 0.552 27.207 ( 0.253 0.000 0.105) 0.274 27.303 ( -0.844 0.000 -0.181) 0.863 27.313 ( -0.127 0.000 0.399) 0.419 27.316 ( -0.545 0.000 -0.364) 0.655 34.344 ( 7.963 0.000 2.224) 8.268 34.605 ( 10.096 0.000 -0.287) 10.100 37.971 ( -2.439 0.000 5.449) 5.970 38.031 ( -2.748 0.000 1.318) 3.048 38.068 ( -0.605 0.000 -2.244) 2.324 38.333 ( -0.332 0.000 -2.920) 2.939 39.593 ( -0.918 0.000 3.768) 3.878 41.453 ( -0.986 0.000 0.171) 1.001 41.499 ( -0.196 0.000 1.733) 1.744 41.567 ( -1.074 0.000 1.308) 1.692 42.019 ( -10.131 0.000 2.630) 10.467 43.120 ( -39.606 0.000 -27.121) 48.002 44.453 ( -2.273 0.000 -0.221) 2.284 44.675 ( -1.612 0.000 -1.288) 2.064 44.750 ( -2.090 0.000 -0.846) 2.255 44.937 ( -28.815 0.000 1.493) 28.853 45.566 ( 0.265 0.000 1.569) 1.591 45.623 ( -3.303 0.000 -2.183) 3.959 45.920 ( -0.501 0.000 0.168) 0.528 45.968 ( -0.671 0.000 -0.584) 0.890 54.199 ( 2.629 0.000 -11.303) 11.605 54.360 ( -7.854 0.000 14.644) 16.617 55.219 ( 4.471 0.000 -12.244) 13.035 56.047 ( -4.560 0.000 -10.869) 11.786 ======================= Grid point 4 (5/114) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 11.099 0.000 5.570) 12.418 1.955 ( 15.836 0.000 1.358) 15.894 2.179 ( -6.259 0.000 -1.851) 6.527 2.188 ( 3.219 0.000 2.121) 3.855 2.263 ( 0.716 0.000 -5.428) 5.475 2.419 ( 6.710 0.000 -3.220) 7.443 2.449 ( -5.911 0.000 -4.658) 7.526 2.867 ( -6.829 0.000 5.597) 8.830 2.990 ( 14.593 0.000 -3.335) 14.969 3.060 ( 1.154 0.000 3.099) 3.306 3.235 ( -3.629 0.000 -6.381) 7.341 3.516 ( 30.587 0.000 2.863) 30.720 3.824 ( -0.577 0.000 -4.524) 4.561 3.997 ( -3.014 0.000 -1.650) 3.435 4.096 ( 1.593 0.000 0.272) 1.616 4.238 ( -6.326 0.000 1.718) 6.556 4.420 ( -4.336 0.000 1.486) 4.584 4.837 ( 2.219 0.000 -2.837) 3.601 4.850 ( -3.617 0.000 2.349) 4.313 4.966 ( -3.674 0.000 -0.070) 3.675 5.119 ( 1.719 0.000 -0.959) 1.969 5.128 ( -1.589 0.000 5.771) 5.986 5.165 ( -3.872 0.000 -4.097) 5.638 5.386 ( -2.960 0.000 -2.252) 3.720 5.470 ( -0.792 0.000 -0.105) 0.799 5.525 ( 3.051 0.000 6.992) 7.629 5.756 ( 4.262 0.000 0.077) 4.263 5.927 ( 0.213 0.000 -3.723) 3.729 6.336 ( -0.855 0.000 -1.994) 2.169 6.398 ( -6.619 0.000 3.910) 7.687 6.698 ( -2.618 0.000 2.276) 3.469 6.770 ( -0.891 0.000 -3.957) 4.056 6.819 ( -4.232 0.000 -3.998) 5.822 6.985 ( -5.280 0.000 3.289) 6.220 7.361 ( -5.376 0.000 4.466) 6.989 7.430 ( -9.841 0.000 -1.172) 9.910 7.564 ( 1.390 0.000 -2.791) 3.118 7.746 ( -3.104 0.000 1.192) 3.325 7.805 ( -2.256 0.000 -1.987) 3.007 8.011 ( -3.233 0.000 5.698) 6.551 8.345 ( 0.434 0.000 -2.042) 2.088 8.482 ( -3.493 0.000 2.771) 4.459 9.190 ( -2.347 0.000 -0.193) 2.355 9.663 ( -2.020 0.000 -0.140) 2.024 13.394 ( -2.165 0.000 -1.361) 2.557 13.439 ( 0.436 0.000 4.929) 4.948 14.795 ( -3.934 0.000 -0.138) 3.937 15.322 ( -6.198 0.000 -3.818) 7.279 17.245 ( 5.347 0.000 1.680) 5.604 17.392 ( 5.463 0.000 -3.713) 6.606 17.802 ( -3.175 0.000 3.739) 4.905 18.134 ( -3.145 0.000 -3.401) 4.633 26.794 ( 0.782 0.000 0.031) 0.783 26.808 ( 0.113 0.000 -0.102) 0.152 26.959 ( -0.411 0.000 -0.270) 0.492 27.051 ( -0.539 0.000 -0.010) 0.540 27.212 ( 0.213 0.000 0.092) 0.232 27.286 ( -0.783 0.000 -0.136) 0.795 27.303 ( -0.557 0.000 -0.365) 0.666 27.312 ( -0.114 0.000 0.393) 0.409 34.499 ( 6.456 0.000 1.545) 6.639 34.803 ( 8.906 0.000 0.617) 8.927 37.938 ( -2.148 0.000 3.935) 4.483 37.982 ( -2.381 0.000 1.176) 2.656 38.049 ( -0.745 0.000 -1.121) 1.346 38.316 ( -0.456 0.000 -2.505) 2.546 39.578 ( -1.785 0.000 4.372) 4.722 41.435 ( -0.812 0.000 0.101) 0.818 41.495 ( -0.570 0.000 -1.553) 1.654 41.538 ( -3.283 0.000 2.805) 4.318 41.840 ( -7.780 0.000 1.714) 7.966 42.095 ( -46.674 0.000 -20.371) 50.926 44.416 ( -1.318 0.000 -0.340) 1.361 44.573 ( -8.378 0.000 -0.215) 8.381 44.652 ( -2.461 0.000 1.414) 2.838 44.704 ( -2.145 0.000 -0.422) 2.186 45.565 ( -2.079 0.000 -1.808) 2.755 45.575 ( 0.252 0.000 1.117) 1.145 45.907 ( -0.751 0.000 0.172) 0.771 45.966 ( 0.125 0.000 0.488) 0.503 54.221 ( 2.571 0.000 -8.477) 8.858 54.259 ( -5.616 0.000 9.364) 10.919 55.251 ( 1.902 0.000 -7.874) 8.100 55.959 ( -2.659 0.000 -1.754) 3.185 ======================= Grid point 5 (6/114) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 2.023 ( 4.893 0.000 3.743) 6.161 2.121 ( -0.197 0.000 -1.611) 1.623 2.125 ( 1.072 0.000 0.239) 1.099 2.243 ( 5.350 0.000 0.135) 5.352 2.332 ( 4.552 0.000 -0.656) 4.599 2.334 ( -3.815 0.000 -2.805) 4.735 2.512 ( 3.178 0.000 -1.566) 3.543 2.630 ( -14.856 0.000 1.437) 14.925 3.056 ( -0.802 0.000 -1.242) 1.478 3.245 ( 10.334 0.000 -3.280) 10.842 3.253 ( 3.584 0.000 -0.440) 3.611 3.824 ( 1.263 0.000 -2.741) 3.018 3.876 ( -1.119 0.000 1.848) 2.160 4.008 ( 10.888 0.000 -1.651) 11.012 4.141 ( -3.524 0.000 1.134) 3.702 4.174 ( 3.404 0.000 0.197) 3.409 4.359 ( -0.958 0.000 2.013) 2.230 4.817 ( -0.233 0.000 2.107) 2.120 4.842 ( -2.035 0.000 -1.873) 2.766 4.918 ( 0.859 0.000 -0.628) 1.064 5.063 ( -3.762 0.000 -0.216) 3.768 5.125 ( -0.774 0.000 0.094) 0.780 5.156 ( 0.954 0.000 1.586) 1.851 5.360 ( 0.297 0.000 -1.107) 1.146 5.476 ( 2.265 0.000 -1.366) 2.645 5.586 ( 1.033 0.000 5.156) 5.259 5.836 ( 3.461 0.000 -0.112) 3.463 5.895 ( -2.716 0.000 -3.862) 4.722 6.295 ( -3.866 0.000 4.017) 5.575 6.300 ( -1.727 0.000 -2.014) 2.653 6.675 ( -0.123 0.000 0.624) 0.636 6.713 ( -2.127 0.000 -0.798) 2.272 6.785 ( 0.046 0.000 -3.490) 3.491 6.886 ( -5.209 0.000 3.102) 6.062 7.254 ( -6.465 0.000 -1.289) 6.593 7.269 ( -4.102 0.000 1.714) 4.446 7.600 ( 2.771 0.000 -1.888) 3.353 7.676 ( -3.504 0.000 1.205) 3.706 7.745 ( -3.328 0.000 -0.499) 3.366 7.967 ( -2.034 0.000 2.228) 3.017 8.349 ( 0.366 0.000 -1.156) 1.212 8.440 ( -1.450 0.000 1.943) 2.425 9.155 ( -1.126 0.000 0.091) 1.130 9.635 ( -0.801 0.000 0.033) 0.802 13.349 ( -1.656 0.000 -0.950) 1.910 13.457 ( 0.165 0.000 2.860) 2.865 14.734 ( -2.022 0.000 -0.193) 2.032 15.204 ( -4.246 0.000 -1.505) 4.505 17.342 ( 3.477 0.000 1.131) 3.656 17.500 ( 6.111 0.000 -3.724) 7.157 17.727 ( -5.194 0.000 3.762) 6.413 18.069 ( -2.224 0.000 -2.050) 3.025 26.806 ( 0.451 0.000 0.043) 0.453 26.808 ( -0.006 0.000 -0.049) 0.050 26.951 ( -0.234 0.000 -0.160) 0.283 27.041 ( -0.355 0.000 0.027) 0.356 27.215 ( 0.112 0.000 0.050) 0.123 27.273 ( -0.471 0.000 -0.066) 0.475 27.292 ( -0.362 0.000 -0.238) 0.433 27.311 ( -0.063 0.000 0.246) 0.254 34.605 ( 3.597 0.000 0.785) 3.681 34.952 ( 5.243 0.000 0.757) 5.298 37.911 ( -1.266 0.000 2.040) 2.401 37.945 ( -1.405 0.000 0.708) 1.573 38.034 ( -0.494 0.000 -0.402) 0.637 38.302 ( -0.252 0.000 -1.508) 1.529 39.551 ( -1.657 0.000 2.914) 3.352 41.124 ( -27.815 0.000 -9.584) 29.420 41.422 ( -0.444 0.000 0.035) 0.446 41.499 ( -0.415 0.000 0.838) 0.935 41.607 ( -2.576 0.000 -1.459) 2.961 41.724 ( -4.001 0.000 0.719) 4.066 44.396 ( -0.577 0.000 -0.238) 0.624 44.470 ( -2.631 0.000 0.235) 2.641 44.622 ( -1.032 0.000 0.214) 1.054 44.666 ( -1.360 0.000 -0.154) 1.368 45.528 ( -1.135 0.000 -0.998) 1.511 45.582 ( 0.185 0.000 0.574) 0.603 45.894 ( -0.551 0.000 0.105) 0.561 45.970 ( 0.089 0.000 0.401) 0.411 54.192 ( -2.924 0.000 4.416) 5.297 54.249 ( 1.843 0.000 -4.256) 4.638 55.257 ( 0.576 0.000 -3.780) 3.824 55.918 ( -1.377 0.000 0.465) 1.454 ======================= Grid point 6 (7/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.295 ( -0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 -0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 -0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 -0.000) 0.000 4.156 ( -0.000 0.000 0.000) 0.000 4.384 ( -0.000 0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 4.829 ( -0.000 0.000 -0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.012 ( -0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.523 ( -0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 -0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.275 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 -0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.650 ( -0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 8.351 ( 0.000 0.000 0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 -0.000) 0.000 9.627 ( 0.000 0.000 0.000) 0.000 13.330 ( 0.000 0.000 0.000) 0.000 13.463 ( 0.000 0.000 0.000) 0.000 14.713 ( 0.000 0.000 0.000) 0.000 15.156 ( 0.000 0.000 0.000) 0.000 17.381 ( 0.000 0.000 0.000) 0.000 17.596 ( 0.000 0.000 -0.000) 0.000 17.640 ( -0.000 0.000 0.000) 0.000 18.042 ( 0.000 0.000 0.000) 0.000 26.808 ( 0.000 0.000 0.000) 0.000 26.811 ( 0.000 0.000 0.000) 0.000 26.949 ( 0.000 0.000 0.000) 0.000 27.038 ( 0.000 0.000 0.000) 0.000 27.217 ( 0.000 0.000 0.000) 0.000 27.268 ( 0.000 0.000 0.000) 0.000 27.288 ( 0.000 0.000 0.000) 0.000 27.311 ( 0.000 0.000 0.000) 0.000 34.644 ( 0.000 0.000 0.000) 0.000 35.008 ( 0.000 0.000 0.000) 0.000 37.901 ( 0.000 0.000 0.000) 0.000 37.932 ( 0.000 0.000 0.000) 0.000 38.028 ( 0.000 0.000 0.000) 0.000 38.297 ( 0.000 0.000 0.000) 0.000 39.537 ( 0.000 0.000 0.000) 0.000 40.808 ( 0.000 0.000 0.000) 0.000 41.418 ( 0.000 0.000 0.000) 0.000 41.497 ( 0.000 0.000 0.000) 0.000 41.590 ( 0.000 0.000 0.000) 0.000 41.684 ( 0.000 0.000 0.000) 0.000 44.390 ( 0.000 0.000 0.000) 0.000 44.446 ( 0.000 0.000 0.000) 0.000 44.612 ( 0.000 0.000 -0.000) 0.000 44.652 ( 0.000 0.000 0.000) 0.000 45.515 ( 0.000 0.000 0.000) 0.000 45.585 ( 0.000 0.000 0.000) 0.000 45.888 ( 0.000 0.000 0.000) 0.000 45.971 ( 0.000 0.000 0.000) 0.000 54.169 ( 0.000 0.000 -0.000) 0.000 54.262 ( 0.000 0.000 0.000) 0.000 55.257 ( 0.000 0.000 0.000) 0.000 55.905 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 13 (8/114) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 20.333 0.000) 20.333 0.626 ( 0.000 27.867 0.000) 27.867 0.996 ( 0.000 42.254 0.000) 42.254 1.439 ( 0.000 -4.793 0.000) 4.793 1.801 ( 0.000 -2.852 0.000) 2.852 2.370 ( 0.000 -3.157 0.000) 3.157 2.392 ( 0.000 -1.167 0.000) 1.167 2.446 ( 0.000 -2.084 0.000) 2.084 2.589 ( 0.000 3.100 0.000) 3.100 3.103 ( 0.000 -8.641 0.000) 8.641 3.373 ( 0.000 4.889 0.000) 4.889 3.419 ( 0.000 -0.456 0.000) 0.456 3.852 ( 0.000 9.018 0.000) 9.018 4.302 ( 0.000 0.698 0.000) 0.698 4.347 ( 0.000 -0.830 0.000) 0.830 4.610 ( 0.000 -4.225 0.000) 4.225 4.756 ( 0.000 -6.624 0.000) 6.624 4.842 ( 0.000 -1.738 0.000) 1.738 4.927 ( 0.000 -3.287 0.000) 3.287 4.938 ( 0.000 -2.228 0.000) 2.228 5.200 ( 0.000 4.402 0.000) 4.402 5.296 ( 0.000 0.893 0.000) 0.893 5.357 ( 0.000 1.363 0.000) 1.363 5.407 ( 0.000 0.172 0.000) 0.172 5.450 ( 0.000 2.222 0.000) 2.222 5.488 ( 0.000 4.104 0.000) 4.104 5.500 ( 0.000 1.463 0.000) 1.463 5.818 ( 0.000 -6.469 0.000) 6.469 6.092 ( 0.000 6.547 0.000) 6.547 6.673 ( 0.000 -5.398 0.000) 5.398 6.840 ( 0.000 1.957 0.000) 1.957 6.962 ( 0.000 0.345 0.000) 0.345 6.985 ( 0.000 -6.007 0.000) 6.007 7.329 ( 0.000 7.296 0.000) 7.296 7.399 ( 0.000 1.674 0.000) 1.674 7.428 ( 0.000 -3.149 0.000) 3.149 7.567 ( 0.000 1.078 0.000) 1.078 7.664 ( 0.000 -0.423 0.000) 0.423 7.909 ( 0.000 -1.323 0.000) 1.323 8.221 ( 0.000 -7.918 0.000) 7.918 8.464 ( 0.000 13.970 0.000) 13.970 8.743 ( 0.000 5.011 0.000) 5.011 9.336 ( 0.000 -7.639 0.000) 7.639 9.699 ( 0.000 -13.663 0.000) 13.663 13.595 ( 0.000 14.041 0.000) 14.041 14.801 ( 0.000 -16.336 0.000) 16.336 15.365 ( 0.000 8.645 0.000) 8.645 15.613 ( 0.000 -0.779 0.000) 0.779 17.009 ( 0.000 9.090 0.000) 9.090 17.558 ( 0.000 -3.964 0.000) 3.964 17.965 ( 0.000 5.129 0.000) 5.129 18.327 ( 0.000 -3.127 0.000) 3.127 26.765 ( 0.000 2.136 0.000) 2.136 26.892 ( 0.000 0.781 0.000) 0.781 26.963 ( 0.000 -2.298 0.000) 2.298 26.996 ( 0.000 -1.820 0.000) 1.820 27.213 ( 0.000 1.355 0.000) 1.355 27.321 ( 0.000 -1.170 0.000) 1.170 27.363 ( 0.000 2.319 0.000) 2.319 27.480 ( 0.000 -0.361 0.000) 0.361 34.691 ( 0.000 41.338 0.000) 41.338 37.873 ( 0.000 -16.212 0.000) 16.212 38.101 ( 0.000 0.986 0.000) 0.986 38.180 ( 0.000 4.163 0.000) 4.163 38.240 ( 0.000 -1.851 0.000) 1.851 39.161 ( 0.000 -32.168 0.000) 32.168 40.780 ( 0.000 10.976 0.000) 10.976 41.140 ( 0.000 -1.562 0.000) 1.562 41.618 ( 0.000 1.989 0.000) 1.989 42.030 ( 0.000 -11.921 0.000) 11.921 42.744 ( 0.000 18.197 0.000) 18.197 43.707 ( 0.000 -7.754 0.000) 7.754 44.548 ( 0.000 -1.439 0.000) 1.439 44.702 ( 0.000 -2.630 0.000) 2.630 44.888 ( 0.000 11.937 0.000) 11.937 45.496 ( 0.000 -2.234 0.000) 2.234 45.860 ( 0.000 0.408 0.000) 0.408 45.911 ( 0.000 -0.703 0.000) 0.703 46.193 ( 0.000 -0.539 0.000) 0.539 46.282 ( 0.000 -3.447 0.000) 3.447 54.169 ( 0.000 5.313 0.000) 5.313 54.750 ( 0.000 -8.488 0.000) 8.488 56.364 ( 0.000 16.068 0.000) 16.068 57.595 ( 0.000 -11.523 0.000) 11.523 ======================= Grid point 14 (9/114) ======================= q-point: ( 0.08 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 17.641 13.556 5.634) 22.950 0.822 ( 18.927 18.203 -3.445) 26.485 1.357 ( 26.612 23.977 5.094) 36.180 1.548 ( 11.565 0.331 2.338) 11.803 1.857 ( 5.812 -3.014 -1.081) 6.636 2.341 ( -0.765 -4.822 -5.364) 7.253 2.418 ( 0.955 -2.119 0.283) 2.341 2.496 ( 4.834 0.710 1.673) 5.164 2.613 ( 2.688 4.178 -2.689) 5.649 3.051 ( -4.972 -3.839 0.049) 6.282 3.300 ( -6.105 3.628 -0.881) 7.156 3.426 ( -0.329 -1.945 2.302) 3.032 3.872 ( 1.567 8.461 0.831) 8.645 4.136 ( -6.950 8.171 -3.012) 11.142 4.329 ( -2.247 -1.375 1.252) 2.916 4.592 ( -3.111 -8.662 0.074) 9.204 4.730 ( -3.793 -0.538 -3.231) 5.012 4.803 ( -2.037 -0.113 2.749) 3.423 4.964 ( 1.787 -4.423 -0.203) 4.775 5.044 ( 3.341 -5.991 3.342) 7.631 5.241 ( -2.559 0.648 -4.426) 5.154 5.267 ( 1.804 2.582 2.604) 4.087 5.360 ( -2.040 0.822 0.605) 2.281 5.364 ( 0.067 -0.906 -0.697) 1.146 5.436 ( -1.218 -0.005 0.525) 1.326 5.539 ( 2.096 2.933 1.146) 3.783 5.568 ( 6.381 2.703 -1.978) 7.206 5.891 ( 5.346 -13.661 -1.158) 14.715 6.092 ( 0.802 3.022 0.084) 3.128 6.659 ( -2.384 -3.451 -1.184) 4.359 6.737 ( -4.435 1.146 -6.273) 7.768 6.939 ( -2.388 0.979 1.848) 3.174 6.993 ( -1.098 -8.771 3.926) 9.672 7.286 ( -3.004 6.978 -1.930) 7.839 7.434 ( -0.464 -5.886 4.846) 7.639 7.454 ( 2.068 1.616 1.489) 3.018 7.654 ( 4.786 -3.867 4.524) 7.637 7.691 ( 2.856 -3.308 3.181) 5.405 7.865 ( -3.657 -0.878 -0.095) 3.762 8.197 ( -3.312 -6.755 -0.468) 7.538 8.474 ( 1.592 13.812 -1.702) 14.008 8.737 ( -0.736 5.394 0.914) 5.520 9.316 ( -1.906 -7.106 -0.635) 7.384 9.688 ( -1.069 -13.165 -0.508) 13.218 13.578 ( -1.210 14.335 -2.720) 14.641 14.551 ( -24.107 15.522 17.510) 33.596 15.142 ( -11.471 9.340 -5.513) 15.786 15.616 ( 0.458 -2.822 -16.358) 16.606 17.029 ( 2.064 8.531 0.395) 8.786 17.501 ( -5.409 1.922 -4.710) 7.426 17.819 ( -4.515 13.584 0.344) 14.319 18.305 ( -1.323 -2.280 -3.940) 4.740 26.768 ( 0.313 2.059 -0.179) 2.090 26.865 ( -1.543 2.675 -0.375) 3.111 26.962 ( -0.186 -2.149 0.039) 2.157 27.014 ( 1.126 -2.939 -0.276) 3.160 27.215 ( 0.132 1.349 0.074) 1.358 27.320 ( -0.133 -1.089 -0.003) 1.097 27.357 ( -0.545 2.156 -0.138) 2.228 27.430 ( -3.472 2.768 -0.452) 4.464 34.737 ( 4.426 41.005 -0.065) 41.243 37.442 ( -85.705 69.920 -9.040) 110.977 38.003 ( -14.077 12.159 5.858) 19.502 38.121 ( -3.571 3.499 -2.104) 5.424 38.171 ( -2.204 5.384 -0.736) 5.864 38.426 ( -20.418 13.701 -6.630) 25.467 39.772 ( -24.197 34.651 5.116) 42.571 41.314 ( 4.526 -8.150 3.606) 9.996 41.600 ( -1.989 2.161 -0.506) 2.981 41.721 ( -12.479 9.747 9.094) 18.260 42.355 ( -11.239 2.567 -0.275) 11.532 43.672 ( -2.863 -17.786 -31.533) 36.316 44.565 ( -0.531 -1.756 0.761) 1.986 44.694 ( -0.547 -2.622 -0.919) 2.832 44.773 ( -4.983 4.017 1.558) 6.587 45.464 ( -3.813 -5.970 -0.057) 7.084 45.787 ( -8.380 7.019 -1.304) 11.009 45.854 ( -1.298 0.013 1.941) 2.335 45.916 ( 0.396 -0.483 0.084) 0.630 46.414 ( -15.362 -23.578 -14.612) 31.708 54.173 ( 1.609 4.650 -5.288) 7.223 54.768 ( 0.489 -8.220 5.480) 9.891 55.887 ( -43.028 49.184 18.204) 67.837 56.675 ( -16.932 16.528 -83.160) 86.460 ======================= Grid point 15 (10/114) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 21.337 6.127 7.291) 23.366 1.246 ( 21.562 10.151 0.066) 23.833 1.726 ( 13.191 -4.318 0.631) 13.894 2.007 ( 12.298 -4.198 0.690) 13.013 2.100 ( 29.743 12.320 1.920) 32.251 2.308 ( -0.730 -5.096 -7.829) 9.370 2.448 ( 3.080 0.699 3.574) 4.770 2.608 ( 4.862 3.519 -7.975) 9.981 2.685 ( 5.760 5.620 -0.119) 8.048 2.927 ( -6.541 3.106 2.494) 7.658 3.154 ( -7.471 1.163 1.397) 7.689 3.409 ( -2.046 -4.044 0.860) 4.613 3.900 ( 0.323 4.817 -0.311) 4.838 4.057 ( -0.513 7.265 -3.196) 7.953 4.262 ( -4.535 -2.325 -0.756) 5.152 4.500 ( -5.020 -8.189 1.269) 9.688 4.607 ( -7.283 2.107 -0.302) 7.588 4.810 ( 1.710 3.816 0.464) 4.207 4.963 ( -3.181 -5.146 0.800) 6.102 5.063 ( 0.107 -1.524 0.802) 1.726 5.139 ( -4.446 0.493 -1.712) 4.790 5.247 ( -3.206 2.199 -1.462) 4.154 5.351 ( 0.907 0.251 1.426) 1.708 5.396 ( -2.487 -0.515 -0.896) 2.693 5.444 ( 5.247 0.106 1.952) 5.599 5.566 ( -0.050 3.961 0.684) 4.020 5.649 ( 2.222 4.205 0.002) 4.756 5.935 ( -0.582 -5.308 -0.229) 5.345 6.147 ( 3.724 -10.381 -0.457) 11.039 6.551 ( -5.964 -0.492 -1.523) 6.175 6.699 ( 0.425 -5.947 -4.664) 7.570 6.883 ( -3.522 2.349 2.261) 4.799 6.964 ( -2.636 -9.033 2.987) 9.872 7.196 ( -5.179 5.562 -3.062) 8.194 7.421 ( -2.512 -7.354 5.619) 9.590 7.488 ( 1.040 0.391 0.899) 1.429 7.703 ( -0.743 -4.493 2.211) 5.063 7.733 ( -2.519 -6.657 2.565) 7.565 7.818 ( 0.676 -2.093 1.163) 2.488 8.082 ( -6.900 -3.173 0.574) 7.616 8.509 ( 1.835 13.408 -1.802) 13.653 8.715 ( -1.853 6.597 1.631) 7.044 9.261 ( -3.127 -6.017 -0.783) 6.826 9.653 ( -2.080 -11.819 -0.821) 12.029 13.536 ( -1.639 14.925 -4.376) 15.639 14.172 ( -15.697 35.644 14.472) 41.549 14.946 ( -7.119 -2.541 -6.121) 9.726 15.534 ( -4.260 -4.085 -9.748) 11.396 17.095 ( 4.042 7.165 1.091) 8.298 17.403 ( -1.486 7.533 -5.389) 9.380 17.818 ( 1.152 5.306 2.909) 6.160 18.253 ( -2.525 -2.366 -4.119) 5.379 26.777 ( 0.623 1.804 -0.199) 1.919 26.845 ( -0.436 3.032 -0.322) 3.080 26.956 ( -0.343 -1.989 -0.143) 2.024 27.028 ( 0.363 -2.944 -0.168) 2.971 27.219 ( 0.186 1.355 0.131) 1.374 27.316 ( -0.267 -0.900 -0.078) 0.942 27.341 ( -0.949 1.755 -0.247) 2.010 27.371 ( -2.149 2.991 -0.173) 3.687 34.861 ( 7.465 40.063 0.094) 40.753 35.874 ( -46.041 115.651 -5.964) 124.621 37.896 ( -3.806 -7.791 5.779) 10.420 38.085 ( -1.333 0.876 -1.135) 1.958 38.130 ( -2.023 2.739 -0.353) 3.423 38.337 ( 0.162 -0.522 -3.155) 3.202 39.573 ( -5.443 1.365 4.057) 6.924 41.374 ( 1.267 -7.548 2.422) 8.028 41.544 ( -2.715 2.232 0.942) 3.638 41.622 ( -2.640 3.352 3.185) 5.325 42.154 ( -9.955 -5.323 0.514) 11.300 43.341 ( -23.371 -34.224 -28.602) 50.354 44.528 ( -2.660 1.313 0.461) 3.002 44.676 ( -0.936 -2.971 -1.377) 3.406 44.712 ( -2.393 -3.001 0.839) 3.929 45.256 ( -19.575 -16.429 0.188) 25.556 45.681 ( -3.510 4.076 -0.809) 5.440 45.764 ( -8.978 -0.325 1.377) 9.089 45.923 ( 0.100 -0.250 0.165) 0.316 46.017 ( -8.838 -5.199 -5.196) 11.495 54.202 ( 3.038 3.879 -8.711) 10.008 54.780 ( -3.123 0.644 15.787) 16.106 55.318 ( -13.937 31.051 -16.798) 37.955 56.304 ( -9.267 5.521 -28.427) 30.405 ======================= Grid point 16 (11/114) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 18.328 2.242 6.532) 19.586 1.656 ( 18.340 5.785 1.584) 19.296 1.979 ( 10.854 -3.677 1.087) 11.511 2.209 ( 6.319 -6.098 -2.180) 9.048 2.274 ( 1.823 -1.029 -6.826) 7.140 2.348 ( -1.889 -2.644 -0.065) 3.250 2.604 ( -2.276 5.165 -9.354) 10.925 2.800 ( 1.885 4.688 -0.385) 5.067 2.874 ( 18.732 6.934 4.222) 20.415 2.905 ( 19.637 4.528 2.377) 20.292 3.052 ( -2.818 -0.680 5.022) 5.799 3.341 ( -4.323 -2.883 -2.506) 5.769 3.868 ( -2.109 1.031 -4.177) 4.792 4.076 ( 1.795 7.237 -2.188) 7.771 4.151 ( -5.403 -1.959 -0.236) 5.752 4.407 ( -5.571 -1.048 1.864) 5.968 4.468 ( -4.969 -0.254 0.256) 4.982 4.838 ( -1.238 -0.370 -0.978) 1.620 4.873 ( -2.884 -1.062 3.141) 4.395 5.057 ( -2.672 1.631 -0.974) 3.279 5.087 ( 1.548 0.181 -1.216) 1.977 5.186 ( -2.127 -0.245 -1.818) 2.808 5.312 ( -5.136 4.261 0.823) 6.724 5.400 ( 2.590 -0.847 2.354) 3.601 5.526 ( -1.437 3.956 -0.402) 4.228 5.552 ( 1.974 3.967 1.318) 4.623 5.687 ( 1.947 2.358 0.968) 3.207 5.910 ( -1.143 -2.252 -0.788) 2.645 6.207 ( 2.147 -11.990 0.248) 12.183 6.430 ( -5.853 -2.513 0.305) 6.377 6.694 ( 0.304 -7.488 -4.826) 8.914 6.820 ( -3.129 3.358 1.432) 4.808 6.904 ( -4.195 -6.044 2.422) 7.745 7.066 ( -6.362 2.598 -2.083) 7.181 7.362 ( -4.819 -8.160 4.726) 10.590 7.480 ( -3.554 -5.432 0.873) 6.550 7.604 ( -4.486 -2.120 -2.024) 5.358 7.725 ( -0.998 -3.640 2.068) 4.304 7.823 ( -0.922 -1.843 -1.264) 2.418 7.970 ( -4.253 -3.752 4.125) 7.013 8.530 ( 0.830 14.141 -1.939) 14.297 8.669 ( -3.217 8.167 2.270) 9.067 9.193 ( -3.205 -5.158 -0.290) 6.079 9.603 ( -2.517 -10.449 -0.703) 10.771 13.494 ( -1.197 14.461 -4.036) 15.061 13.982 ( -8.017 32.060 10.988) 34.826 14.804 ( -5.451 -6.644 -4.103) 9.523 15.399 ( -6.639 -5.720 -5.095) 10.137 17.191 ( 4.855 5.662 1.519) 7.612 17.401 ( 2.289 6.360 -4.426) 8.079 17.834 ( -0.797 1.740 3.339) 3.849 18.182 ( -3.203 -2.637 -3.971) 5.743 26.790 ( 0.730 1.478 -0.132) 1.653 26.840 ( -0.024 2.700 -0.174) 2.705 26.948 ( -0.382 -1.822 -0.250) 1.878 27.030 ( -0.124 -2.510 -0.009) 2.513 27.223 ( 0.181 1.309 0.130) 1.328 27.308 ( -0.453 -0.679 -0.304) 0.871 27.319 ( -1.096 1.309 -0.264) 1.727 27.339 ( -1.122 1.703 0.222) 2.051 35.021 ( 7.699 39.600 -0.569) 40.346 35.332 ( -12.393 78.342 -0.146) 79.316 37.841 ( -3.403 -11.120 5.482) 12.856 38.048 ( -2.252 0.615 0.230) 2.346 38.091 ( -1.486 1.679 -1.008) 2.458 38.337 ( 0.528 0.372 -2.988) 3.057 39.489 ( -4.603 -8.342 4.258) 10.436 41.389 ( -0.591 -8.705 1.539) 8.859 41.507 ( -1.272 0.709 0.926) 1.725 41.584 ( -2.120 1.425 2.251) 3.404 41.956 ( -9.497 -5.744 0.783) 11.126 42.509 ( -47.956 -51.528 -26.852) 75.338 44.478 ( -2.203 2.186 0.044) 3.104 44.638 ( -3.169 -4.376 -1.715) 5.669 44.664 ( -2.465 -2.868 1.372) 4.023 44.847 ( -14.834 -5.546 1.432) 15.901 45.625 ( -1.939 3.212 0.530) 3.790 45.640 ( -3.517 1.431 -1.287) 4.009 45.920 ( -0.389 -0.031 0.133) 0.412 45.957 ( -0.308 -0.876 -0.273) 0.968 54.239 ( 3.290 4.769 -8.852) 10.580 54.714 ( -8.237 19.885 17.706) 27.870 55.138 ( -0.265 0.527 -18.965) 18.974 56.081 ( -7.366 1.063 -9.373) 11.969 ======================= Grid point 17 (12/114) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 10.647 0.184 5.095) 11.804 1.982 ( 12.474 0.947 0.749) 12.533 2.122 ( 2.417 -0.941 1.104) 2.819 2.231 ( 2.734 -0.549 -1.143) 3.013 2.270 ( -3.091 0.864 -3.792) 4.968 2.388 ( 5.164 -2.580 -2.519) 6.298 2.485 ( -5.719 3.442 -5.083) 8.390 2.785 ( -5.673 -4.220 2.822) 7.613 3.054 ( 4.000 1.733 0.130) 4.361 3.086 ( 8.589 2.192 2.697) 9.265 3.250 ( -0.498 2.673 -6.159) 6.732 3.522 ( 26.156 0.443 2.396) 26.269 3.831 ( 0.296 0.947 -4.543) 4.650 4.011 ( -4.663 -0.317 -2.883) 5.491 4.134 ( 0.791 3.954 1.585) 4.333 4.290 ( -4.846 3.714 0.731) 6.150 4.421 ( -1.077 0.318 0.934) 1.461 4.760 ( -3.861 -5.240 2.756) 7.069 4.880 ( 0.895 2.991 -1.132) 3.321 5.017 ( -1.299 2.266 -1.103) 2.835 5.114 ( 0.668 -0.796 -3.173) 3.339 5.140 ( -1.921 -1.002 -1.643) 2.719 5.212 ( -4.448 7.311 5.025) 9.924 5.436 ( -1.079 0.177 1.075) 1.533 5.480 ( -0.210 6.035 0.036) 6.039 5.596 ( 1.116 4.651 3.094) 5.696 5.744 ( 3.469 -0.647 -0.324) 3.544 5.891 ( -0.313 -2.882 -2.550) 3.860 6.234 ( 0.002 -10.774 1.543) 10.884 6.315 ( -5.258 -1.924 0.358) 5.611 6.682 ( -0.179 -8.362 -3.724) 9.156 6.761 ( -3.450 2.522 0.246) 4.280 6.818 ( -3.809 -0.932 1.170) 4.092 6.947 ( -5.061 -0.715 0.606) 5.148 7.259 ( -6.191 -8.950 3.045) 11.301 7.336 ( -8.525 -8.090 -0.950) 11.791 7.573 ( 0.774 0.937 -2.171) 2.488 7.695 ( -2.306 -3.312 1.590) 4.337 7.781 ( -2.354 -0.435 -1.606) 2.883 7.922 ( -2.377 -4.964 3.806) 6.692 8.533 ( 0.083 14.288 -1.621) 14.380 8.608 ( -3.240 9.152 2.604) 10.052 9.135 ( -2.455 -4.911 0.276) 5.497 9.555 ( -1.949 -9.821 -0.306) 10.017 13.463 ( -0.877 13.573 -2.961) 13.920 13.885 ( -4.657 28.123 7.710) 29.530 14.700 ( -3.790 -8.228 -2.682) 9.448 15.249 ( -6.680 -6.839 -2.452) 9.870 17.292 ( 4.515 4.125 1.544) 6.308 17.455 ( 3.921 4.351 -3.835) 7.001 17.804 ( -3.064 0.784 3.392) 4.638 18.105 ( -3.230 -2.780 -3.280) 5.378 26.803 ( 0.551 1.178 -0.085) 1.303 26.840 ( 0.047 2.481 -0.026) 2.482 26.940 ( -0.317 -1.651 -0.254) 1.700 27.025 ( -0.316 -2.145 0.082) 2.169 27.226 ( 0.107 1.173 0.063) 1.180 27.296 ( -0.603 -0.508 -0.442) 0.904 27.298 ( -0.912 0.976 -0.155) 1.345 27.324 ( -0.502 0.760 0.400) 0.994 35.110 ( 0.881 48.651 -2.760) 48.737 35.265 ( 3.474 45.835 4.347) 46.171 37.793 ( -2.637 -12.467 4.147) 13.401 37.999 ( -2.636 -0.318 0.736) 2.756 38.065 ( -0.862 1.482 -0.869) 1.923 38.340 ( 0.581 2.044 -2.608) 3.364 39.407 ( -4.611 -14.725 4.050) 15.953 41.237 ( -28.844 -47.747 -7.053) 56.227 41.495 ( -0.287 -0.676 1.047) 1.279 41.513 ( -10.460 -4.202 -0.476) 11.283 41.595 ( -11.133 -9.801 -10.827) 18.364 41.791 ( -7.059 -4.191 0.982) 8.268 44.441 ( -1.407 2.260 -0.197) 2.670 44.540 ( -4.719 -1.376 0.304) 4.925 44.628 ( -1.523 -1.835 0.254) 2.398 44.688 ( -3.695 -2.205 0.100) 4.304 45.581 ( -2.115 1.340 -1.518) 2.928 45.602 ( -0.732 1.719 0.767) 2.019 45.910 ( -0.608 0.231 0.166) 0.672 45.957 ( 0.093 -0.766 0.432) 0.884 54.284 ( 3.354 6.366 -6.463) 9.672 54.588 ( -7.451 25.367 9.918) 28.238 55.125 ( 2.148 -9.410 -10.365) 14.163 55.940 ( -5.080 -3.178 -1.918) 6.291 ======================= Grid point 18 (13/114) ======================= q-point: ( 0.42 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 4.923 -0.535 3.031) 5.806 2.099 ( 2.847 -1.731 1.053) 3.494 2.159 ( -2.183 2.387 -1.346) 3.503 2.255 ( 2.520 0.176 -0.448) 2.566 2.298 ( 3.064 -0.999 -1.223) 3.447 2.374 ( -1.795 1.672 -1.583) 2.920 2.475 ( 2.927 -2.685 -1.441) 4.225 2.582 ( -12.448 -3.533 0.791) 12.964 3.095 ( 0.898 2.937 -0.572) 3.124 3.235 ( 4.185 -1.382 -0.367) 4.422 3.336 ( 8.111 7.721 -3.176) 11.640 3.825 ( 2.394 0.781 -1.780) 3.084 3.867 ( 0.453 -0.507 1.174) 1.356 4.006 ( 7.101 -1.265 -2.127) 7.520 4.143 ( 1.511 -1.268 1.208) 2.313 4.258 ( 1.639 6.691 -1.562) 7.064 4.391 ( -3.013 3.109 2.889) 5.205 4.725 ( -0.190 -4.508 1.916) 4.902 4.898 ( 1.401 0.523 -1.738) 2.292 4.973 ( -2.826 5.249 -0.883) 6.026 5.045 ( -3.688 -0.819 -2.278) 4.411 5.136 ( -0.174 0.939 0.552) 1.103 5.189 ( 0.270 3.505 3.113) 4.696 5.410 ( -0.692 1.669 -0.543) 1.886 5.489 ( 0.252 4.048 1.197) 4.229 5.623 ( 0.879 3.196 2.130) 3.940 5.819 ( 3.573 -1.431 -0.038) 3.849 5.871 ( -1.030 -1.736 -2.859) 3.500 6.189 ( -3.876 -5.892 2.349) 7.433 6.265 ( -0.042 -3.912 -1.088) 4.061 6.668 ( -0.351 -11.357 -2.287) 11.591 6.691 ( -2.567 3.645 0.285) 4.468 6.772 ( -1.617 -2.006 1.116) 2.808 6.859 ( -3.815 0.958 0.909) 4.037 7.151 ( -4.473 -8.765 0.931) 9.884 7.184 ( -5.581 -6.698 -0.872) 8.762 7.597 ( 1.983 -0.084 -1.456) 2.462 7.653 ( -1.879 -1.792 0.834) 2.727 7.728 ( -2.533 0.215 -0.407) 2.574 7.886 ( -1.895 -4.677 1.714) 5.329 8.527 ( -0.187 13.662 -0.825) 13.688 8.563 ( -1.720 9.294 1.810) 9.623 9.097 ( -1.308 -5.079 0.370) 5.258 9.525 ( -0.936 -9.873 -0.039) 9.917 13.441 ( -0.573 13.335 -1.635) 13.447 13.834 ( -2.239 26.088 4.117) 26.505 14.635 ( -2.038 -9.117 -1.417) 9.449 15.129 ( -4.237 -7.099 -0.985) 8.326 17.374 ( 2.929 2.833 1.046) 4.207 17.528 ( 4.175 1.617 -3.239) 5.526 17.740 ( -3.950 1.845 3.078) 5.337 18.039 ( -2.237 -2.765 -1.941) 4.052 26.811 ( 0.222 0.993 -0.057) 1.019 26.842 ( 0.085 2.355 0.043) 2.357 26.934 ( -0.181 -1.526 -0.157) 1.545 27.019 ( -0.249 -1.912 0.074) 1.930 27.227 ( 0.016 0.985 -0.002) 0.985 27.283 ( -0.500 0.844 0.002) 0.981 27.284 ( -0.400 -0.528 -0.326) 0.738 27.319 ( -0.192 0.392 0.255) 0.505 35.109 ( 0.149 44.973 -0.866) 44.982 35.366 ( 3.854 37.112 2.453) 37.392 37.761 ( -1.419 -12.964 2.202) 13.226 37.953 ( -1.834 -1.568 0.453) 2.455 38.050 ( -0.426 1.639 -0.359) 1.731 38.346 ( 0.619 4.002 -1.609) 4.358 39.334 ( -3.370 -19.207 2.525) 19.663 40.497 ( -27.684 -57.535 -8.919) 64.469 41.434 ( -0.870 0.875 -0.225) 1.255 41.500 ( 0.364 -0.390 0.178) 0.563 41.538 ( -1.073 -1.621 -0.267) 1.963 41.686 ( -3.491 -3.144 0.352) 4.711 44.419 ( -0.680 2.103 -0.173) 2.217 44.475 ( -1.889 0.757 0.189) 2.044 44.603 ( -0.908 -1.664 0.050) 1.896 44.639 ( -1.512 -2.501 -0.042) 2.923 45.544 ( -1.135 1.396 -0.842) 1.987 45.595 ( -0.221 0.768 0.398) 0.892 45.899 ( -0.445 0.470 0.115) 0.658 45.960 ( 0.052 -0.853 0.346) 0.922 54.328 ( 2.282 7.450 -3.391) 8.498 54.491 ( -3.978 24.678 4.403) 25.381 55.138 ( 1.152 -10.081 -4.454) 11.081 55.860 ( -2.650 -6.190 0.214) 6.737 ======================= Grid point 19 (14/114) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 0.000 -0.438 0.000) 0.438 2.113 ( 0.000 0.683 0.000) 0.683 2.177 ( 0.000 -0.573 0.000) 0.573 2.251 ( 0.000 -2.140 0.000) 2.140 2.323 ( 0.000 0.841 0.000) 0.841 2.351 ( 0.000 -2.443 0.000) 2.443 2.440 ( 0.000 0.955 0.000) 0.955 2.504 ( 0.000 -2.593 0.000) 2.593 3.102 ( 0.000 4.195 -0.000) 4.195 3.279 ( 0.000 -1.508 0.000) 1.508 3.423 ( 0.000 6.881 -0.000) 6.881 3.844 ( 0.000 1.143 0.000) 1.143 3.855 ( 0.000 0.378 0.000) 0.378 4.052 ( -0.000 0.452 0.000) 0.452 4.206 ( 0.000 -3.812 0.000) 3.812 4.305 ( 0.000 9.291 -0.000) 9.291 4.330 ( -0.000 0.498 0.000) 0.498 4.737 ( 0.000 -4.276 0.000) 4.276 4.915 ( 0.000 -0.852 0.000) 0.852 4.933 ( 0.000 6.260 0.000) 6.260 4.999 ( -0.000 -1.054 0.000) 1.054 5.132 ( 0.000 1.560 0.000) 1.560 5.204 ( 0.000 2.788 0.000) 2.788 5.402 ( 0.000 0.322 0.000) 0.322 5.495 ( 0.000 2.580 0.000) 2.580 5.641 ( 0.000 2.620 0.000) 2.620 5.836 ( 0.000 -0.088 0.000) 0.088 5.871 ( 0.000 -0.438 0.000) 0.438 6.150 ( 0.000 -5.082 0.000) 5.082 6.266 ( 0.000 -4.014 0.000) 4.014 6.658 ( 0.000 -12.634 0.000) 12.634 6.667 ( -0.000 3.553 0.000) 3.553 6.756 ( 0.000 -6.567 0.000) 6.567 6.817 ( -0.000 5.643 0.000) 5.643 7.104 ( 0.000 -7.379 0.000) 7.379 7.124 ( 0.000 -6.803 0.000) 6.803 7.623 ( -0.000 -0.448 0.000) 0.448 7.637 ( 0.000 -2.752 -0.000) 2.752 7.691 ( 0.000 2.568 0.000) 2.568 7.867 ( 0.000 -4.746 0.000) 4.746 8.524 ( 0.000 13.213 0.000) 13.213 8.549 ( 0.000 9.250 0.000) 9.250 9.085 ( 0.000 -5.208 -0.000) 5.208 9.516 ( 0.000 -10.004 0.000) 10.004 13.432 ( 0.000 13.406 0.000) 13.406 13.817 ( 0.000 25.482 0.000) 25.482 14.612 ( 0.000 -9.483 0.000) 9.483 15.083 ( 0.000 -7.034 0.000) 7.034 17.407 ( 0.000 2.300 0.000) 2.300 17.579 ( 0.000 -1.490 0.000) 1.490 17.690 ( -0.000 4.391 0.000) 4.391 18.012 ( 0.000 -2.717 0.000) 2.717 26.813 ( 0.000 0.951 0.000) 0.951 26.843 ( 0.000 2.292 0.000) 2.292 26.932 ( 0.000 -1.483 0.000) 1.483 27.017 ( 0.000 -1.830 0.000) 1.830 27.227 ( 0.000 0.884 0.000) 0.884 27.278 ( 0.000 0.875 0.000) 0.875 27.279 ( 0.000 -0.598 -0.000) 0.598 27.317 ( 0.000 0.308 0.000) 0.308 35.110 ( 0.000 42.310 0.000) 42.310 35.411 ( 0.000 35.840 0.000) 35.840 37.750 ( 0.000 -13.077 0.000) 13.077 37.934 ( 0.000 -2.188 0.000) 2.188 38.045 ( 0.000 1.725 0.000) 1.725 38.351 ( 0.000 5.085 0.000) 5.085 39.300 ( 0.000 -21.210 0.000) 21.210 40.196 ( 0.000 -54.793 0.000) 54.793 41.426 ( 0.000 0.765 0.000) 0.765 41.506 ( 0.000 0.878 0.000) 0.878 41.525 ( -0.000 -3.215 -0.000) 3.215 41.651 ( 0.000 -2.733 0.000) 2.733 44.412 ( 0.000 2.011 0.000) 2.011 44.457 ( 0.000 1.155 0.000) 1.155 44.594 ( 0.000 -1.604 -0.000) 1.604 44.623 ( 0.000 -2.518 0.000) 2.518 45.531 ( 0.000 1.427 0.000) 1.427 45.593 ( 0.000 0.456 0.000) 0.456 45.894 ( 0.000 0.571 0.000) 0.571 45.961 ( 0.000 -0.893 0.000) 0.893 54.347 ( 0.000 7.740 0.000) 7.740 54.458 ( 0.000 24.228 -0.000) 24.228 55.143 ( 0.000 -9.866 0.000) 9.866 55.834 ( 0.000 -7.222 0.000) 7.222 ======================= Grid point 26 (15/114) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 17.798 0.000) 17.798 1.173 ( 0.000 22.629 0.000) 22.629 1.193 ( 0.000 -12.486 0.000) 12.486 1.566 ( 0.000 -11.557 0.000) 11.557 1.914 ( 0.000 28.575 0.000) 28.575 2.336 ( 0.000 -7.052 0.000) 7.052 2.341 ( 0.000 0.294 0.000) 0.294 2.375 ( 0.000 -3.870 0.000) 3.870 2.662 ( 0.000 4.421 0.000) 4.421 2.847 ( 0.000 -13.067 0.000) 13.067 3.447 ( 0.000 2.196 0.000) 2.196 3.459 ( 0.000 1.928 0.000) 1.928 4.088 ( 0.000 12.632 0.000) 12.632 4.316 ( 0.000 0.434 0.000) 0.434 4.325 ( 0.000 -0.785 0.000) 0.785 4.379 ( 0.000 -13.910 0.000) 13.910 4.723 ( 0.000 1.731 0.000) 1.731 4.782 ( 0.000 -3.351 0.000) 3.351 4.893 ( 0.000 -0.487 0.000) 0.487 4.899 ( 0.000 -1.078 0.000) 1.078 5.306 ( 0.000 3.761 0.000) 3.761 5.326 ( 0.000 1.102 0.000) 1.102 5.383 ( 0.000 1.271 0.000) 1.271 5.408 ( 0.000 -0.535 0.000) 0.535 5.458 ( 0.000 1.848 0.000) 1.848 5.515 ( 0.000 -0.943 0.000) 0.943 5.583 ( 0.000 2.983 0.000) 2.983 5.667 ( 0.000 -6.280 0.000) 6.280 6.272 ( 0.000 9.899 0.000) 9.899 6.496 ( 0.000 -10.300 0.000) 10.300 6.870 ( 0.000 0.925 0.000) 0.925 6.897 ( 0.000 -2.075 0.000) 2.075 7.048 ( 0.000 7.507 0.000) 7.507 7.246 ( 0.000 -9.941 0.000) 9.941 7.481 ( 0.000 5.009 0.000) 5.009 7.486 ( 0.000 3.207 0.000) 3.207 7.612 ( 0.000 2.002 0.000) 2.002 7.641 ( 0.000 -1.460 0.000) 1.460 7.898 ( 0.000 1.531 0.000) 1.531 8.019 ( 0.000 -9.204 0.000) 9.204 8.845 ( 0.000 19.646 0.000) 19.646 8.904 ( 0.000 10.558 0.000) 10.558 9.124 ( 0.000 -11.238 0.000) 11.238 9.314 ( 0.000 -20.912 0.000) 20.912 13.977 ( 0.000 20.166 0.000) 20.166 14.412 ( 0.000 -19.615 0.000) 19.615 15.511 ( 0.000 4.985 0.000) 4.985 15.585 ( 0.000 -2.107 0.000) 2.107 17.235 ( 0.000 10.715 0.000) 10.715 17.435 ( 0.000 -7.575 0.000) 7.575 18.097 ( 0.000 6.620 0.000) 6.620 18.232 ( 0.000 -5.586 0.000) 5.586 26.825 ( 0.000 3.290 0.000) 3.290 26.899 ( 0.000 -3.420 0.000) 3.420 26.916 ( 0.000 1.479 0.000) 1.479 26.954 ( 0.000 -1.943 0.000) 1.943 27.250 ( 0.000 1.865 0.000) 1.865 27.289 ( 0.000 -1.743 0.000) 1.743 27.418 ( 0.000 2.480 0.000) 2.480 27.461 ( 0.000 -1.470 0.000) 1.470 35.858 ( 0.000 62.801 0.000) 62.801 37.155 ( 0.000 -51.718 0.000) 51.718 38.137 ( 0.000 2.221 0.000) 2.221 38.190 ( 0.000 -2.577 0.000) 2.577 38.310 ( 0.000 8.153 0.000) 8.153 38.573 ( 0.000 -18.531 0.000) 18.531 40.975 ( 0.000 6.952 0.000) 6.952 41.086 ( 0.000 -3.623 0.000) 3.623 41.687 ( 0.000 4.487 0.000) 4.487 41.818 ( 0.000 -7.875 0.000) 7.875 43.132 ( 0.000 17.408 0.000) 17.408 43.471 ( 0.000 -13.787 0.000) 13.787 44.561 ( 0.000 2.324 0.000) 2.324 44.630 ( 0.000 -3.681 0.000) 3.681 45.164 ( 0.000 12.723 0.000) 12.723 45.393 ( 0.000 -7.863 0.000) 7.863 45.872 ( 0.000 0.745 0.000) 0.745 45.891 ( 0.000 -1.017 0.000) 1.017 46.185 ( 0.000 0.099 0.000) 0.099 46.211 ( 0.000 -2.516 0.000) 2.516 54.326 ( 0.000 8.993 0.000) 8.993 54.539 ( 0.000 -10.405 0.000) 10.405 56.790 ( 0.000 22.018 0.000) 22.018 57.251 ( 0.000 -19.759 0.000) 19.759 ======================= Grid point 27 (16/114) ======================= q-point: ( 0.08 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 12.062 15.359 2.058) 19.638 1.224 ( 7.850 11.522 -2.868) 14.234 1.332 ( 11.236 -3.458 -0.098) 11.757 1.629 ( 6.380 -13.396 -1.859) 14.954 2.059 ( 11.699 21.367 2.857) 24.527 2.275 ( -1.534 -2.635 -1.922) 3.604 2.398 ( 4.218 1.329 -0.136) 4.424 2.481 ( 7.964 -3.011 0.783) 8.550 2.705 ( 4.279 5.519 -0.754) 7.024 2.895 ( 3.945 -10.441 1.106) 11.216 3.372 ( -7.182 2.600 0.709) 7.671 3.405 ( -5.136 -0.552 0.735) 5.218 4.086 ( -0.681 10.913 -0.095) 10.935 4.233 ( -4.925 1.554 -4.775) 7.034 4.289 ( -3.495 -1.911 -0.691) 4.043 4.360 ( -2.363 -10.693 4.289) 11.761 4.737 ( 0.036 1.129 -3.302) 3.489 4.782 ( 1.822 -2.631 -0.652) 3.266 4.911 ( 0.261 0.975 4.312) 4.429 4.959 ( 3.009 -2.996 3.968) 5.811 5.272 ( -3.689 1.932 -5.083) 6.571 5.310 ( -0.037 -0.846 -1.222) 1.487 5.354 ( -2.382 1.666 1.152) 3.127 5.387 ( -1.030 -0.239 1.944) 2.213 5.451 ( 0.154 3.681 -0.385) 3.704 5.554 ( 3.211 -2.852 -1.700) 4.619 5.627 ( 3.714 2.181 -0.097) 4.308 5.685 ( 1.297 -5.273 0.448) 5.448 6.254 ( -1.750 10.095 -0.101) 10.246 6.487 ( -0.678 -10.777 -1.161) 10.860 6.798 ( -6.113 3.400 -1.407) 7.135 6.868 ( -2.769 -3.614 0.239) 4.559 7.023 ( -2.372 7.248 2.456) 8.012 7.232 ( -1.848 -10.970 3.000) 11.522 7.439 ( -3.418 6.224 -0.318) 7.108 7.500 ( 0.023 1.083 0.454) 1.174 7.622 ( 0.338 -0.243 0.086) 0.425 7.648 ( 0.469 -2.156 1.142) 2.484 7.882 ( -1.177 3.358 -0.108) 3.560 8.017 ( -0.792 -8.507 -0.421) 8.554 8.849 ( 0.636 18.550 -1.429) 18.616 8.903 ( -0.184 10.871 0.680) 10.894 9.117 ( -0.749 -10.433 -0.101) 10.461 9.314 ( 0.149 -20.279 -1.070) 20.308 13.965 ( -1.078 20.137 -0.714) 20.178 14.383 ( -3.039 -17.513 3.379) 18.093 15.398 ( -10.124 9.537 0.042) 13.909 15.542 ( -4.105 -4.515 -3.316) 6.945 17.243 ( 0.949 10.165 0.115) 10.210 17.429 ( -0.249 -6.622 -1.102) 6.718 18.059 ( -2.836 8.847 -1.599) 9.427 18.216 ( -1.349 -5.867 -2.260) 6.431 26.826 ( 0.123 3.172 -0.221) 3.182 26.892 ( -0.278 -2.060 -0.947) 2.285 26.918 ( -0.029 0.715 0.660) 0.973 26.959 ( 0.419 -2.282 -0.072) 2.321 27.251 ( 0.084 1.834 0.136) 1.841 27.289 ( -0.001 -1.685 0.097) 1.688 27.408 ( -0.942 2.228 -0.198) 2.427 27.443 ( -1.635 -0.855 -0.254) 1.862 35.885 ( 2.399 61.018 1.674) 61.088 37.105 ( -4.841 -46.326 0.829) 46.586 38.128 ( -0.855 2.318 -0.655) 2.556 38.168 ( -2.247 -0.862 -0.729) 2.515 38.304 ( -0.439 6.329 -1.553) 6.531 38.480 ( -8.360 -9.165 -3.131) 12.794 40.720 ( -24.217 29.744 -0.539) 38.359 41.113 ( -0.315 -11.546 1.272) 11.621 41.666 ( -2.050 4.179 -0.075) 4.655 41.770 ( -4.855 -4.304 3.462) 7.354 42.694 ( -36.107 25.376 -2.818) 44.223 43.223 ( -22.652 -22.809 -15.443) 35.663 44.562 ( -0.066 1.884 0.063) 1.887 44.625 ( -0.397 -3.507 -0.573) 3.576 44.985 ( -13.932 13.339 1.355) 19.336 45.271 ( -12.412 -11.994 0.181) 17.261 45.861 ( -1.889 0.875 1.383) 2.499 45.882 ( -4.200 -0.304 2.273) 4.785 45.942 ( -7.669 5.106 -1.789) 9.385 46.086 ( -12.424 -9.056 -3.158) 15.695 54.323 ( 0.667 9.021 -3.985) 9.884 54.545 ( 0.987 -11.179 -1.247) 11.291 56.556 ( -22.268 20.313 1.265) 30.168 56.834 ( -25.501 -4.188 -29.730) 39.392 ======================= Grid point 28 (17/114) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 15.866 11.066 4.258) 19.806 1.456 ( 14.457 4.561 -2.201) 15.319 1.610 ( 15.304 -1.572 0.719) 15.402 1.808 ( 11.492 -12.311 -2.660) 17.050 2.248 ( 3.444 1.468 1.129) 3.911 2.262 ( 1.717 -0.333 -3.296) 3.731 2.606 ( 15.884 8.035 0.931) 17.825 2.660 ( 9.554 0.939 -3.520) 10.225 2.827 ( 8.101 9.312 -0.133) 12.344 2.970 ( 1.375 -0.886 2.658) 3.121 3.184 ( -10.927 2.053 2.320) 11.357 3.287 ( -5.269 -7.056 0.605) 8.827 4.024 ( -4.621 6.322 -2.880) 8.344 4.149 ( -2.987 -3.231 -7.370) 8.584 4.217 ( -1.726 3.042 2.675) 4.403 4.332 ( -1.526 -6.559 3.296) 7.497 4.684 ( -4.933 4.504 0.900) 6.740 4.799 ( -2.178 -5.880 0.922) 6.338 4.924 ( 0.774 3.854 3.454) 5.233 5.012 ( 2.022 -3.605 2.531) 4.847 5.178 ( -3.554 3.169 -5.149) 7.013 5.250 ( -4.319 -2.570 -4.129) 6.505 5.355 ( 1.955 1.305 -0.496) 2.403 5.387 ( 0.144 -0.812 1.450) 1.668 5.492 ( 3.796 4.504 1.410) 6.057 5.622 ( 3.411 -2.971 1.186) 4.677 5.701 ( 1.680 0.042 0.771) 1.849 5.708 ( 2.145 -5.133 -1.165) 5.684 6.204 ( -3.054 10.122 0.085) 10.573 6.462 ( -1.406 -11.967 -2.029) 12.219 6.653 ( -7.251 6.207 -0.424) 9.554 6.802 ( -3.512 -6.613 0.359) 7.496 6.977 ( -2.914 6.819 2.926) 7.972 7.190 ( -3.410 -12.210 4.149) 13.339 7.335 ( -6.385 6.789 -2.457) 9.639 7.462 ( -4.436 -4.151 0.242) 6.080 7.618 ( -0.377 0.204 0.056) 0.432 7.662 ( 0.193 -2.687 2.007) 3.359 7.859 ( -1.147 4.032 -0.063) 4.192 7.970 ( -3.590 -5.977 0.059) 6.973 8.861 ( 0.691 14.960 -1.325) 15.034 8.899 ( -0.355 13.046 0.539) 13.062 9.091 ( -1.852 -8.905 0.051) 9.095 9.310 ( -0.232 -18.897 -1.505) 18.958 13.934 ( -1.480 20.313 -1.414) 20.416 14.326 ( -3.634 -13.461 5.697) 15.061 15.145 ( -13.458 15.456 -2.568) 20.654 15.403 ( -8.352 -8.547 -2.508) 12.211 17.279 ( 2.441 8.812 0.454) 9.155 17.429 ( 0.901 -4.226 -1.762) 4.666 17.996 ( -2.762 9.276 -1.326) 9.769 18.164 ( -2.820 -6.055 -3.174) 7.395 26.829 ( 0.294 2.890 -0.294) 2.919 26.887 ( 0.020 -1.173 -0.900) 1.479 26.917 ( -0.228 0.767 0.489) 0.938 26.966 ( 0.295 -2.722 -0.006) 2.738 27.253 ( 0.106 1.743 0.187) 1.756 27.289 ( -0.056 -1.523 0.094) 1.527 27.381 ( -1.498 1.678 -0.298) 2.269 27.402 ( -2.115 -0.011 -0.289) 2.135 35.962 ( 4.269 56.896 3.793) 57.182 36.976 ( -7.791 -25.600 0.960) 26.776 38.038 ( -11.998 13.605 -1.790) 18.228 38.106 ( -2.238 0.616 -1.382) 2.702 38.230 ( -6.554 8.710 -2.804) 11.255 38.329 ( -1.257 -0.675 -3.442) 3.726 40.047 ( -36.399 48.590 1.013) 60.720 41.031 ( -10.073 -30.133 -0.094) 31.772 41.602 ( -4.015 3.514 0.137) 5.337 41.673 ( -5.143 -0.869 4.283) 6.749 42.080 ( -19.330 3.542 -6.420) 20.674 42.483 ( -41.163 -34.862 -17.373) 56.671 44.555 ( -0.718 1.840 0.164) 1.982 44.611 ( -0.771 -3.041 -1.000) 3.293 44.756 ( -8.441 6.591 1.737) 10.849 44.956 ( -15.471 -11.562 1.521) 19.374 45.748 ( -5.090 2.041 -0.367) 5.497 45.766 ( -6.336 0.112 1.015) 6.418 45.919 ( 0.278 0.216 -0.190) 0.399 45.943 ( -1.289 -2.111 -1.298) 2.793 54.343 ( 2.967 9.185 -6.032) 11.382 54.582 ( 3.153 -12.282 -0.990) 12.719 56.024 ( -24.521 25.319 -7.123) 35.959 56.337 ( -17.343 -4.811 -16.695) 24.549 ======================= Grid point 29 (18/114) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 14.417 6.278 4.557) 16.372 1.740 ( 13.032 -0.855 -0.251) 13.062 1.917 ( 13.744 0.865 1.274) 13.830 2.036 ( 10.392 -8.195 -1.662) 13.339 2.274 ( 2.037 0.716 -3.179) 3.842 2.300 ( 1.086 -1.671 -1.177) 2.315 2.752 ( -1.580 7.028 -8.381) 11.051 2.853 ( 0.788 -1.321 -4.844) 5.083 2.949 ( 1.745 3.169 5.515) 6.595 3.017 ( -2.255 -2.611 6.838) 7.659 3.104 ( 17.747 9.806 1.387) 20.323 3.263 ( 3.285 -4.874 -0.915) 5.948 3.930 ( -2.939 4.761 -4.631) 7.263 4.052 ( -3.923 -5.540 -4.431) 8.106 4.227 ( 0.632 4.700 0.790) 4.808 4.315 ( -0.791 -4.355 1.115) 4.564 4.565 ( -6.258 6.385 2.208) 9.209 4.711 ( -5.461 -6.997 2.781) 9.301 4.965 ( 1.617 5.230 1.402) 5.651 5.056 ( 0.440 -2.498 1.149) 2.785 5.114 ( -0.587 2.099 -2.716) 3.482 5.155 ( -3.211 -1.782 -4.386) 5.720 5.387 ( -0.513 1.817 0.260) 1.906 5.399 ( 2.042 0.213 0.358) 2.084 5.590 ( 4.543 3.895 1.233) 6.109 5.665 ( -0.018 4.858 1.267) 5.020 5.721 ( 1.270 -2.227 2.016) 3.261 5.759 ( 2.534 -8.602 -0.712) 8.995 6.138 ( -3.278 8.266 0.194) 8.895 6.417 ( -2.411 -13.297 -2.414) 13.727 6.516 ( -6.309 7.016 0.581) 9.453 6.735 ( -3.354 -9.549 1.076) 10.178 6.925 ( -2.939 6.391 2.200) 7.371 7.117 ( -5.051 -10.570 4.067) 12.400 7.180 ( -7.487 5.167 -3.770) 9.847 7.326 ( -8.177 -7.473 -1.123) 11.134 7.611 ( -0.348 2.032 0.090) 2.064 7.662 ( -0.769 -2.415 1.826) 3.123 7.834 ( -1.396 1.934 -0.238) 2.397 7.892 ( -3.717 -3.377 0.801) 5.085 8.852 ( -1.699 9.591 1.156) 9.808 8.896 ( 0.057 17.674 -1.115) 17.709 9.045 ( -2.629 -7.978 0.629) 8.423 9.293 ( -1.025 -17.429 -1.294) 17.507 13.900 ( -1.348 20.833 -1.760) 20.950 14.278 ( -2.890 -9.964 6.874) 12.445 14.873 ( -11.919 16.733 -4.070) 20.944 15.210 ( -9.717 -12.268 -1.384) 15.711 17.339 ( 3.116 7.184 0.795) 7.870 17.455 ( 1.977 -2.380 -1.697) 3.529 17.937 ( -2.926 7.333 -0.430) 7.907 18.090 ( -3.428 -6.023 -3.160) 7.616 26.835 ( 0.374 2.544 -0.257) 2.584 26.887 ( 0.194 -0.938 -0.645) 1.154 26.913 ( -0.336 1.204 0.320) 1.291 26.970 ( 0.027 -2.918 0.097) 2.920 27.255 ( 0.035 1.586 0.108) 1.590 27.287 ( -0.198 -1.280 -0.065) 1.297 27.349 ( -1.544 1.196 -0.250) 1.969 27.361 ( -1.756 0.182 -0.094) 1.768 36.072 ( 4.965 52.772 5.464) 53.286 36.809 ( -8.758 13.738 0.618) 16.304 37.699 ( -16.905 20.201 -1.499) 26.383 38.035 ( -4.623 -3.095 -0.871) 5.632 38.151 ( -1.541 5.592 -1.902) 6.105 38.325 ( 1.152 -3.502 -3.849) 5.329 39.445 ( -22.924 16.003 1.949) 28.025 40.549 ( -37.803 -70.485 -7.614) 80.344 41.530 ( -2.848 1.529 0.313) 3.248 41.580 ( -5.438 -3.000 1.821) 6.472 41.756 ( -12.945 -2.248 -10.006) 16.514 41.845 ( -12.422 -7.510 -1.319) 14.576 44.534 ( -1.321 2.716 0.235) 3.030 44.587 ( -1.397 -1.752 -1.298) 2.590 44.635 ( -4.425 1.496 1.521) 4.913 44.725 ( -7.964 -5.560 1.037) 9.768 45.667 ( -3.151 1.090 -1.011) 3.484 45.672 ( -3.261 0.824 0.314) 3.378 45.922 ( -0.046 0.311 0.122) 0.337 45.936 ( 0.037 -0.954 0.040) 0.956 54.403 ( 4.503 10.358 -5.624) 12.617 54.663 ( 4.677 -12.697 0.410) 13.537 55.590 ( -16.587 26.540 -6.338) 31.932 55.997 ( -13.196 -10.654 -6.622) 18.207 ======================= Grid point 30 (19/114) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 8.628 2.803 3.883) 9.868 1.953 ( 7.217 -3.245 1.648) 8.083 2.150 ( 9.119 2.437 0.468) 9.451 2.196 ( 5.867 -1.974 -1.533) 6.377 2.280 ( -1.638 0.677 -2.640) 3.179 2.322 ( 2.047 -3.067 -1.913) 4.154 2.591 ( -8.653 5.792 -3.415) 10.958 2.703 ( -9.690 -4.195 -0.048) 10.560 3.074 ( 4.270 0.543 1.861) 4.689 3.090 ( 6.779 -0.966 0.525) 6.868 3.370 ( 8.988 7.152 -2.527) 11.761 3.498 ( 17.321 -3.705 0.674) 17.726 3.885 ( -0.299 4.235 -4.443) 6.145 3.974 ( -2.735 -3.120 -3.565) 5.470 4.221 ( -1.482 3.761 1.127) 4.196 4.302 ( -0.661 -3.165 0.045) 3.234 4.490 ( -1.275 6.342 1.643) 6.675 4.633 ( -2.643 -6.415 2.648) 7.426 4.968 ( -1.153 4.306 -0.933) 4.555 5.035 ( -1.826 -1.430 -0.100) 2.322 5.105 ( 0.293 1.275 -4.731) 4.908 5.135 ( 1.025 -0.525 -0.051) 1.152 5.361 ( -2.740 4.987 3.221) 6.538 5.423 ( -0.658 -1.341 2.884) 3.248 5.640 ( 1.141 7.276 -0.456) 7.379 5.689 ( 1.321 3.559 1.011) 3.928 5.746 ( 1.635 -0.106 -0.206) 1.651 5.806 ( 1.668 -5.770 0.254) 6.012 6.091 ( -1.030 2.923 0.167) 3.103 6.352 ( -3.131 -13.471 -2.034) 13.979 6.399 ( -5.455 5.484 0.854) 7.782 6.665 ( -4.243 -12.109 1.949) 12.978 6.870 ( -3.149 6.197 1.378) 7.086 7.012 ( -5.314 2.305 -0.031) 5.792 7.044 ( -4.906 -6.629 -0.673) 8.274 7.156 ( -7.562 -7.450 -1.462) 10.715 7.605 ( -0.103 1.923 -0.519) 1.995 7.645 ( -1.238 -1.716 1.116) 2.392 7.795 ( -2.167 1.332 -0.495) 2.592 7.838 ( -2.009 -2.842 1.234) 3.692 8.809 ( -2.664 9.157 2.110) 9.768 8.887 ( -0.583 17.816 -1.165) 17.863 8.994 ( -2.566 -7.836 1.190) 8.331 9.264 ( -1.414 -16.427 -0.728) 16.504 13.871 ( -0.948 21.555 -1.635) 21.638 14.254 ( -1.404 -7.608 7.156) 10.538 14.648 ( -8.976 14.987 -4.892) 18.141 15.021 ( -8.235 -14.646 -0.615) 16.813 17.402 ( 2.755 5.464 0.899) 6.185 17.492 ( 1.994 -1.866 -1.308) 3.028 17.876 ( -2.878 5.983 0.114) 6.641 18.013 ( -3.196 -5.741 -2.517) 7.036 26.842 ( 0.272 2.222 -0.198) 2.248 26.889 ( 0.166 -1.139 -0.380) 1.212 26.907 ( -0.298 1.805 0.214) 1.842 26.969 ( -0.129 -2.930 0.160) 2.937 27.255 ( -0.119 1.343 -0.066) 1.350 27.280 ( -0.413 -0.976 -0.300) 1.101 27.321 ( -1.120 0.970 -0.057) 1.483 27.333 ( -1.038 -0.081 0.172) 1.055 36.185 ( 4.287 50.539 5.408) 51.008 36.636 ( -8.132 52.047 0.776) 52.684 37.425 ( -9.663 -9.106 0.422) 13.284 37.919 ( -6.355 -10.849 -1.391) 12.650 38.129 ( -0.446 5.740 -1.307) 5.903 38.350 ( 2.553 -5.485 -3.726) 7.105 39.090 ( -14.096 -7.572 1.792) 16.101 39.696 ( -37.655 -70.156 -9.157) 80.147 41.486 ( -2.084 0.383 0.113) 2.122 41.496 ( -1.858 -0.433 -0.687) 2.028 41.604 ( -3.413 2.929 -1.439) 4.722 41.688 ( -5.211 -4.746 -0.384) 7.058 44.506 ( -1.407 3.487 0.102) 3.762 44.544 ( -2.286 1.395 -0.404) 2.708 44.580 ( -1.720 -2.266 0.577) 2.903 44.616 ( -3.507 -3.858 0.146) 5.216 45.612 ( -2.075 1.240 -0.809) 2.549 45.624 ( -1.691 0.203 0.034) 1.704 45.919 ( -0.263 0.640 0.228) 0.728 45.937 ( -0.008 -1.009 0.327) 1.061 54.483 ( 4.511 11.813 -3.975) 13.256 54.760 ( 4.282 -12.224 1.808) 13.078 55.300 ( -10.752 25.875 -4.569) 28.390 55.758 ( -9.216 -14.881 -1.948) 17.611 ======================= Grid point 31 (20/114) ======================= q-point: ( 0.42 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 4.614 1.414 2.742) 5.551 2.059 ( 3.861 -2.030 2.274) 4.919 2.198 ( -3.428 1.217 -1.959) 4.132 2.230 ( -1.298 -1.867 -1.187) 2.565 2.309 ( 4.152 1.956 -0.942) 4.685 2.366 ( 0.744 -2.676 -1.227) 3.036 2.459 ( -2.202 1.748 -0.841) 2.935 2.511 ( -7.909 -2.848 0.024) 8.407 3.153 ( 2.802 2.257 0.146) 3.601 3.197 ( 3.796 -1.971 -0.375) 4.293 3.554 ( 8.401 11.890 -1.981) 14.692 3.794 ( 10.410 -7.906 1.285) 13.135 3.876 ( 0.221 2.003 -2.674) 3.348 3.921 ( -0.646 -3.313 -4.013) 5.244 4.180 ( -2.695 5.110 1.994) 6.112 4.306 ( 0.787 -4.201 0.142) 4.276 4.493 ( 0.368 6.676 1.272) 6.806 4.624 ( 0.762 -5.078 1.157) 5.264 4.940 ( -1.025 2.830 -1.064) 3.192 4.992 ( -1.895 -1.862 -0.488) 2.701 5.105 ( 0.310 4.072 -4.122) 5.802 5.150 ( 0.815 -0.215 -1.058) 1.353 5.304 ( -3.316 5.904 4.735) 8.263 5.391 ( -3.017 -2.288 3.419) 5.101 5.657 ( 0.114 9.288 0.025) 9.289 5.711 ( 1.268 4.131 0.269) 4.330 5.787 ( 2.202 -1.428 -0.675) 2.710 5.830 ( 1.081 -2.955 -0.714) 3.227 6.093 ( 0.648 -0.452 0.066) 0.793 6.286 ( -2.718 -2.358 -1.118) 3.768 6.309 ( -3.233 -7.456 0.481) 8.141 6.578 ( -4.452 -13.778 1.787) 14.589 6.810 ( -2.656 6.429 0.614) 6.983 6.936 ( -1.972 4.143 -0.947) 4.685 6.966 ( -2.858 -8.202 0.356) 8.693 7.034 ( -3.832 -5.524 -1.062) 6.806 7.606 ( 0.278 0.829 -0.600) 1.060 7.625 ( -0.827 -0.906 0.390) 1.287 7.757 ( -1.293 1.980 -0.118) 2.368 7.807 ( -1.421 -2.792 0.701) 3.210 8.768 ( -1.753 9.308 1.581) 9.603 8.870 ( -0.726 17.271 -0.631) 17.298 8.954 ( -1.601 -7.903 1.037) 8.130 9.237 ( -1.014 -16.137 -0.243) 16.171 13.854 ( -0.424 22.301 -1.018) 22.328 14.269 ( 0.818 -7.989 6.545) 10.360 14.479 ( -6.167 14.842 -5.284) 16.918 14.886 ( -4.672 -15.812 -0.193) 16.489 17.450 ( 1.669 3.891 0.616) 4.279 17.522 ( 1.208 -2.294 -0.739) 2.695 17.827 ( -1.874 5.810 0.206) 6.108 17.952 ( -2.032 -5.250 -1.413) 5.804 26.845 ( 0.102 2.018 -0.117) 2.024 26.891 ( 0.060 -1.787 -0.176) 1.796 26.903 ( -0.139 2.613 0.126) 2.620 26.967 ( -0.117 -2.850 0.123) 2.855 27.251 ( -0.196 1.060 -0.141) 1.087 27.270 ( -0.386 -0.755 -0.279) 0.893 27.304 ( -0.499 0.980 0.071) 1.102 27.320 ( -0.389 -0.355 0.200) 0.564 36.264 ( 1.953 52.297 2.920) 52.415 36.509 ( -4.241 65.747 1.443) 65.900 37.297 ( -3.686 -29.169 0.607) 29.407 37.786 ( -5.580 -21.998 -1.739) 22.761 38.121 ( -0.123 6.197 -0.593) 6.226 38.414 ( 5.105 -6.701 -2.954) 8.927 38.826 ( -13.917 -21.154 0.929) 25.338 39.117 ( -15.799 -47.729 -4.097) 50.442 41.456 ( -0.770 1.086 -0.209) 1.347 41.479 ( -0.220 -1.097 -0.224) 1.141 41.553 ( -1.641 2.005 -0.136) 2.595 41.612 ( -2.428 -3.348 -0.094) 4.137 44.482 ( -0.896 3.552 -0.020) 3.664 44.507 ( -1.178 2.138 -0.007) 2.442 44.556 ( -0.835 -2.661 0.082) 2.790 44.568 ( -1.452 -3.652 -0.053) 3.931 45.578 ( -1.055 1.504 -0.459) 1.894 45.600 ( -0.764 -0.413 -0.000) 0.869 45.914 ( -0.217 0.931 0.168) 0.971 45.937 ( -0.041 -1.172 0.250) 1.199 54.550 ( 2.789 12.697 -2.114) 13.171 54.839 ( 2.765 -12.093 2.422) 12.639 55.122 ( -5.750 25.873 -3.392) 26.720 55.612 ( -4.786 -17.473 -0.174) 18.118 ======================= Grid point 32 (21/114) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 1.130 0.000) 1.130 2.118 ( 0.000 -1.612 0.000) 1.612 2.159 ( -0.000 0.793 0.000) 0.793 2.202 ( 0.000 -2.403 0.000) 2.403 2.320 ( 0.000 -0.399 0.000) 0.399 2.324 ( 0.000 -0.489 0.000) 0.489 2.454 ( 0.000 0.346 0.000) 0.346 2.463 ( 0.000 -0.892 0.000) 0.892 3.182 ( 0.000 2.958 -0.000) 2.958 3.236 ( 0.000 -2.314 0.000) 2.314 3.642 ( 0.000 13.172 0.000) 13.172 3.870 ( -0.000 0.329 -0.000) 0.329 3.871 ( 0.000 0.796 0.000) 0.796 3.960 ( 0.000 -14.476 0.000) 14.476 4.144 ( 0.000 7.545 -0.000) 7.545 4.315 ( 0.000 -6.026 0.000) 6.026 4.501 ( 0.000 8.305 0.000) 8.305 4.639 ( 0.000 -4.717 0.000) 4.717 4.927 ( 0.000 2.035 0.000) 2.035 4.970 ( 0.000 -1.687 0.000) 1.687 5.095 ( -0.000 6.767 0.000) 6.767 5.159 ( 0.000 0.204 0.000) 0.204 5.279 ( 0.000 3.918 0.000) 3.918 5.355 ( 0.000 -3.005 0.000) 3.005 5.654 ( 0.000 9.806 0.000) 9.806 5.730 ( 0.000 5.580 -0.000) 5.580 5.806 ( 0.000 -3.126 0.000) 3.126 5.849 ( 0.000 -2.970 0.000) 2.970 6.099 ( 0.000 0.280 0.000) 0.280 6.255 ( 0.000 6.983 0.000) 6.983 6.276 ( 0.000 -18.016 0.000) 18.016 6.528 ( 0.000 -14.266 0.000) 14.266 6.782 ( 0.000 6.333 0.000) 6.333 6.917 ( 0.000 3.786 0.000) 3.786 6.935 ( 0.000 -8.062 0.000) 8.062 6.996 ( 0.000 -4.145 0.000) 4.145 7.610 ( -0.000 -0.050 0.000) 0.050 7.616 ( 0.000 -0.338 -0.000) 0.338 7.744 ( 0.000 2.234 0.000) 2.234 7.791 ( 0.000 -2.465 0.000) 2.465 8.752 ( 0.000 9.314 0.000) 9.314 8.860 ( 0.000 17.079 0.000) 17.079 8.939 ( 0.000 -7.981 -0.000) 7.981 9.226 ( 0.000 -16.151 0.000) 16.151 13.848 ( 0.000 22.655 0.000) 22.655 14.307 ( 0.000 -18.606 -0.000) 18.606 14.388 ( 0.000 25.203 0.000) 25.203 14.838 ( 0.000 -16.178 0.000) 16.178 17.469 ( 0.000 3.187 0.000) 3.187 17.534 ( 0.000 -2.683 0.000) 2.683 17.808 ( 0.000 6.000 0.000) 6.000 17.929 ( 0.000 -4.964 0.000) 4.964 26.845 ( 0.000 1.956 0.000) 1.956 26.891 ( 0.000 -2.156 0.000) 2.156 26.902 ( 0.000 3.007 0.000) 3.007 26.965 ( 0.000 -2.801 0.000) 2.801 27.248 ( 0.000 0.933 0.000) 0.933 27.266 ( 0.000 -0.701 0.000) 0.701 27.300 ( 0.000 1.020 0.000) 1.020 27.316 ( 0.000 -0.436 0.000) 0.436 36.283 ( 0.000 55.889 0.000) 55.889 36.473 ( 0.000 65.018 0.000) 65.018 37.263 ( 0.000 -34.326 0.000) 34.326 37.720 ( 0.000 -28.040 0.000) 28.040 38.119 ( 0.000 6.416 0.000) 6.416 38.531 ( -0.000 12.468 0.000) 12.468 38.595 ( 0.000 -46.000 0.000) 46.000 38.976 ( 0.000 -35.748 0.000) 35.748 41.448 ( 0.000 1.224 0.000) 1.224 41.478 ( 0.000 -1.580 -0.000) 1.580 41.535 ( 0.000 1.884 0.000) 1.884 41.587 ( 0.000 -2.885 0.000) 2.885 44.473 ( 0.000 3.453 0.000) 3.453 44.495 ( 0.000 2.294 0.000) 2.294 44.547 ( 0.000 -2.667 -0.000) 2.667 44.554 ( 0.000 -3.567 0.000) 3.567 45.567 ( 0.000 1.622 0.000) 1.622 45.592 ( 0.000 -0.653 0.000) 0.653 45.912 ( 0.000 1.046 0.000) 1.046 45.937 ( 0.000 -1.241 0.000) 1.241 54.576 ( 0.000 12.976 0.000) 12.976 54.875 ( 0.000 -14.102 0.000) 14.102 55.054 ( 0.000 28.003 0.000) 28.003 55.564 ( 0.000 -18.367 0.000) 18.367 ======================= Grid point 65 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 0.414 ( 6.189 0.000 20.033) 20.967 0.502 ( 1.721 0.000 24.456) 24.516 0.842 ( 0.198 0.000 39.862) 39.863 1.705 ( -2.359 0.000 18.503) 18.653 1.796 ( -0.311 0.000 -2.242) 2.264 2.258 ( -1.988 0.000 -6.641) 6.932 2.275 ( 0.660 0.000 -11.390) 11.409 2.514 ( -1.897 0.000 -2.426) 3.080 2.692 ( -2.177 0.000 11.079) 11.291 3.146 ( -3.370 0.000 -5.985) 6.869 3.216 ( 0.654 0.000 -8.300) 8.326 3.377 ( 6.431 0.000 -5.972) 8.776 3.725 ( 0.578 0.000 -1.149) 1.286 3.878 ( -0.595 0.000 -4.150) 4.192 4.641 ( -1.455 0.000 0.806) 1.663 4.813 ( -12.044 0.000 -1.896) 12.192 4.848 ( -1.514 0.000 -0.819) 1.721 4.862 ( 25.335 0.000 -4.837) 25.793 5.027 ( -4.598 0.000 1.776) 4.929 5.081 ( -13.038 0.000 3.253) 13.438 5.115 ( 4.028 0.000 -2.347) 4.662 5.222 ( -2.351 0.000 2.162) 3.194 5.344 ( 0.686 0.000 0.918) 1.146 5.357 ( 3.829 0.000 1.008) 3.959 5.429 ( 2.113 0.000 -1.133) 2.397 5.492 ( 1.639 0.000 1.024) 1.932 5.513 ( -3.532 0.000 3.123) 4.715 5.926 ( 2.121 0.000 -6.463) 6.802 6.298 ( -8.098 0.000 4.917) 9.474 6.383 ( 0.612 0.000 1.204) 1.351 6.774 ( -3.393 0.000 4.188) 5.390 6.982 ( 1.095 0.000 0.321) 1.141 7.171 ( 2.973 0.000 -2.810) 4.091 7.188 ( -2.024 0.000 -3.647) 4.171 7.379 ( 0.275 0.000 1.357) 1.384 7.536 ( 2.012 0.000 -1.900) 2.768 7.697 ( 1.225 0.000 2.073) 2.407 7.891 ( -0.392 0.000 -1.699) 1.744 8.321 ( -2.154 0.000 2.412) 3.233 8.342 ( -3.036 0.000 2.119) 3.703 8.456 ( 41.934 0.000 -0.624) 41.938 8.705 ( 6.965 0.000 -2.737) 7.483 9.448 ( -1.425 0.000 2.512) 2.888 9.815 ( 0.279 0.000 -3.084) 3.097 13.342 ( 3.457 0.000 -0.032) 3.457 13.421 ( -4.103 0.000 -1.179) 4.269 15.226 ( -0.021 0.000 4.098) 4.098 15.512 ( -57.430 0.000 0.017) 57.430 16.921 ( 0.134 0.000 1.921) 1.926 17.254 ( -3.661 0.000 -2.651) 4.520 17.620 ( 3.490 0.000 1.714) 3.888 17.890 ( 4.397 0.000 -2.201) 4.917 26.743 ( -0.056 0.000 0.196) 0.204 26.779 ( -0.055 0.000 -0.269) 0.275 26.990 ( -0.149 0.000 0.143) 0.206 27.019 ( -1.225 0.000 -0.255) 1.252 27.206 ( -0.078 0.000 0.777) 0.781 27.316 ( 0.125 0.000 0.125) 0.176 27.328 ( -0.184 0.000 -0.940) 0.957 27.334 ( -0.066 0.000 -0.183) 0.194 34.004 ( 1.806 0.000 1.212) 2.175 34.207 ( -2.535 0.000 -1.961) 3.205 38.006 ( 1.607 0.000 -0.343) 1.643 38.110 ( 0.510 0.000 -1.736) 1.810 38.214 ( -1.570 0.000 9.002) 9.138 38.340 ( -7.563 0.000 4.345) 8.722 39.581 ( 0.524 0.000 -1.125) 1.241 40.501 ( 9.570 0.000 -10.733) 14.380 41.494 ( 0.074 0.000 0.303) 0.312 41.582 ( -0.167 0.000 -1.378) 1.389 42.446 ( 1.580 0.000 1.260) 2.021 42.463 ( -42.704 0.000 1.768) 42.740 44.599 ( 0.436 0.000 -0.146) 0.459 44.698 ( 4.356 0.000 -1.921) 4.761 44.783 ( 6.657 0.000 2.227) 7.020 44.830 ( -1.765 0.000 1.583) 2.371 45.561 ( 1.146 0.000 2.318) 2.585 45.852 ( -0.129 0.000 -0.274) 0.303 45.907 ( 0.200 0.000 -1.067) 1.085 46.140 ( -4.389 0.000 -6.218) 7.611 54.070 ( -4.956 0.000 -3.541) 6.091 54.408 ( 11.931 0.000 -17.474) 21.159 55.302 ( -10.373 0.000 25.565) 27.589 57.620 ( -86.168 0.000 -19.966) 88.451 ======================= Grid point 66 (23/114) ======================= q-point: ( 0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 0.785 ( 20.889 0.000 14.030) 25.163 0.798 ( 18.761 0.000 16.686) 25.108 1.332 ( 30.081 0.000 27.744) 40.922 1.743 ( 2.407 0.000 10.374) 10.649 1.866 ( 6.599 0.000 -0.288) 6.605 2.234 ( 1.564 0.000 -4.908) 5.152 2.269 ( 1.612 0.000 -15.208) 15.294 2.495 ( 1.299 0.000 -2.313) 2.653 2.670 ( -2.716 0.000 9.520) 9.899 3.034 ( -5.210 0.000 -4.724) 7.033 3.164 ( -3.129 0.000 -7.041) 7.705 3.457 ( 2.653 0.000 -3.366) 4.286 3.764 ( 3.488 0.000 -0.324) 3.503 3.874 ( 0.966 0.000 -5.736) 5.817 4.505 ( -11.376 0.000 7.975) 13.893 4.633 ( -0.175 0.000 -2.264) 2.270 4.758 ( -5.043 0.000 2.601) 5.674 4.862 ( -7.926 0.000 1.277) 8.028 4.981 ( -2.604 0.000 0.491) 2.650 5.165 ( -0.084 0.000 -1.440) 1.443 5.195 ( 1.261 0.000 -6.088) 6.217 5.206 ( -0.584 0.000 0.620) 0.852 5.376 ( 5.285 0.000 -0.870) 5.356 5.394 ( -2.232 0.000 0.408) 2.269 5.419 ( 1.194 0.000 1.668) 2.051 5.523 ( 0.667 0.000 -0.031) 0.668 5.532 ( 3.295 0.000 2.320) 4.030 5.963 ( 0.732 0.000 -3.752) 3.823 6.376 ( 8.170 0.000 -3.553) 8.909 6.387 ( -0.764 0.000 1.892) 2.041 6.724 ( -2.381 0.000 1.663) 2.904 6.987 ( -1.439 0.000 2.262) 2.681 7.108 ( -4.184 0.000 -5.367) 6.805 7.181 ( -0.548 0.000 -2.253) 2.318 7.418 ( 2.719 0.000 0.770) 2.826 7.581 ( 1.971 0.000 0.343) 2.001 7.730 ( 1.627 0.000 2.969) 3.385 7.849 ( -2.852 0.000 -1.986) 3.476 8.197 ( -10.141 0.000 -1.563) 10.261 8.309 ( -0.448 0.000 1.521) 1.585 8.666 ( 0.615 0.000 -1.171) 1.322 8.673 ( -15.730 0.000 6.045) 16.852 9.410 ( -3.031 0.000 2.356) 3.839 9.795 ( -1.352 0.000 -2.969) 3.262 13.400 ( 2.055 0.000 -4.550) 4.993 13.417 ( 3.214 0.000 2.895) 4.325 15.163 ( 7.865 0.000 -2.672) 8.306 15.188 ( -4.852 0.000 5.190) 7.105 16.969 ( 3.449 0.000 2.839) 4.467 17.188 ( -1.364 0.000 -3.684) 3.929 17.729 ( 5.720 0.000 2.818) 6.376 18.066 ( 7.426 0.000 -12.499) 14.539 26.747 ( 0.402 0.000 0.215) 0.456 26.781 ( 0.381 0.000 -0.299) 0.484 26.985 ( -0.339 0.000 0.067) 0.346 27.039 ( 1.523 0.000 -1.409) 2.075 27.207 ( 0.006 0.000 0.831) 0.831 27.319 ( 0.081 0.000 0.241) 0.254 27.319 ( -0.338 0.000 -0.949) 1.007 27.330 ( -0.290 0.000 -0.205) 0.356 34.091 ( 5.791 0.000 2.881) 6.468 34.219 ( 4.929 0.000 -4.263) 6.517 38.033 ( 1.066 0.000 -0.676) 1.262 38.120 ( -0.062 0.000 -1.061) 1.062 38.200 ( -2.541 0.000 9.996) 10.314 38.311 ( 0.041 0.000 1.703) 1.703 39.602 ( 1.816 0.000 0.740) 1.961 41.395 ( 25.929 0.000 -32.801) 41.812 41.491 ( -0.494 0.000 0.362) 0.613 41.561 ( -1.368 0.000 -0.717) 1.544 42.422 ( -4.502 0.000 3.329) 5.599 42.551 ( 35.314 0.000 -43.614) 56.118 44.575 ( -2.601 0.000 0.103) 2.603 44.708 ( -0.763 0.000 -1.555) 1.732 44.799 ( -1.408 0.000 0.137) 1.415 45.132 ( 19.590 0.000 -19.791) 27.847 45.587 ( 0.526 0.000 3.085) 3.129 45.837 ( -1.263 0.000 -1.651) 2.078 45.916 ( 0.766 0.000 -0.461) 0.894 46.060 ( -3.938 0.000 -12.172) 12.793 53.974 ( -2.313 0.000 -7.861) 8.194 54.606 ( 11.857 0.000 -15.921) 19.851 55.159 ( -11.438 0.000 27.775) 30.038 56.291 ( -34.078 0.000 19.570) 39.297 ======================= Grid point 67 (24/114) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.255 ( 20.927 0.000 11.698) 23.975 1.260 ( 21.478 0.000 9.884) 23.643 1.871 ( 8.072 0.000 3.156) 8.667 1.945 ( 12.291 0.000 0.729) 12.313 2.103 ( 23.466 0.000 3.935) 23.793 2.224 ( -0.908 0.000 -17.257) 17.281 2.324 ( 10.980 0.000 7.299) 13.185 2.539 ( 2.102 0.000 -2.992) 3.657 2.658 ( -0.141 0.000 6.246) 6.247 2.922 ( -4.117 0.000 -0.015) 4.117 3.089 ( -1.830 0.000 -4.686) 5.031 3.468 ( -0.933 0.000 -0.957) 1.336 3.849 ( -1.986 0.000 -6.344) 6.648 3.856 ( 5.309 0.000 0.727) 5.359 4.344 ( -7.798 0.000 4.357) 8.933 4.555 ( -6.234 0.000 -0.456) 6.250 4.694 ( -8.610 0.000 2.204) 8.888 4.740 ( 1.326 0.000 2.205) 2.573 4.944 ( -0.581 0.000 -2.255) 2.329 5.104 ( -5.721 0.000 -0.478) 5.741 5.126 ( -4.450 0.000 -0.431) 4.471 5.169 ( -1.024 0.000 -3.599) 3.742 5.385 ( -1.743 0.000 0.594) 1.841 5.443 ( 2.820 0.000 4.749) 5.524 5.473 ( 3.137 0.000 -0.137) 3.140 5.510 ( -1.750 0.000 -1.388) 2.234 5.615 ( 3.617 0.000 2.370) 4.324 5.940 ( -1.735 0.000 -2.038) 2.676 6.366 ( -1.730 0.000 1.492) 2.285 6.486 ( 3.576 0.000 -3.731) 5.169 6.689 ( -1.126 0.000 -1.384) 1.784 6.931 ( -4.831 0.000 3.762) 6.123 6.996 ( -5.097 0.000 -5.843) 7.754 7.151 ( -1.719 0.000 -0.843) 1.915 7.473 ( 2.244 0.000 -0.612) 2.326 7.595 ( -1.170 0.000 1.958) 2.281 7.778 ( 1.890 0.000 2.410) 3.063 7.786 ( -2.637 0.000 -0.582) 2.700 7.946 ( -12.862 0.000 -4.269) 13.552 8.310 ( 0.108 0.000 0.090) 0.140 8.395 ( -12.416 0.000 7.683) 14.600 8.651 ( -1.876 0.000 0.190) 1.886 9.347 ( -3.746 0.000 3.215) 4.937 9.746 ( -2.501 0.000 -2.748) 3.716 13.416 ( 0.432 0.000 -3.441) 3.468 13.479 ( 1.804 0.000 4.286) 4.651 15.079 ( -7.112 0.000 6.021) 9.319 15.292 ( 4.616 0.000 -8.799) 9.936 17.066 ( 4.902 0.000 3.663) 6.120 17.184 ( 1.935 0.000 -3.337) 3.857 17.840 ( 3.863 0.000 2.963) 4.868 18.107 ( 1.137 0.000 -10.572) 10.633 26.760 ( 0.786 0.000 0.235) 0.820 26.791 ( 0.560 0.000 -0.263) 0.619 26.977 ( -0.481 0.000 0.103) 0.492 27.053 ( 0.376 0.000 -1.080) 1.144 27.211 ( 0.086 0.000 0.827) 0.832 27.308 ( -0.526 0.000 -0.952) 1.088 27.321 ( 0.001 0.000 0.326) 0.326 27.321 ( -0.497 0.000 -0.242) 0.553 34.238 ( 7.420 0.000 3.402) 8.162 34.360 ( 9.793 0.000 -4.080) 10.609 38.042 ( 0.098 0.000 -1.136) 1.140 38.101 ( -1.542 0.000 0.373) 1.587 38.172 ( -3.245 0.000 10.299) 10.799 38.303 ( -0.912 0.000 -0.373) 0.985 39.657 ( 2.424 0.000 4.999) 5.555 41.477 ( -0.925 0.000 0.347) 0.988 41.509 ( -0.329 0.000 -7.665) 7.672 41.557 ( 1.630 0.000 -3.187) 3.579 42.291 ( -9.322 0.000 4.881) 10.522 42.781 ( 0.377 0.000 -53.422) 53.423 44.510 ( -3.385 0.000 0.062) 3.386 44.678 ( -1.593 0.000 -2.091) 2.629 44.772 ( -1.368 0.000 -0.427) 1.433 45.214 ( -6.764 0.000 -18.872) 20.048 45.599 ( -0.166 0.000 2.572) 2.577 45.707 ( -9.605 0.000 -4.678) 10.684 45.929 ( 0.355 0.000 0.395) 0.531 45.957 ( -0.754 0.000 -2.541) 2.651 53.941 ( 1.730 0.000 -10.332) 10.476 54.740 ( 2.501 0.000 -6.815) 7.260 55.039 ( -5.534 0.000 20.247) 20.990 56.002 ( -5.362 0.000 4.696) 7.128 ======================= Grid point 68 (25/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.681 ( 16.890 0.000 7.304) 18.402 1.683 ( 17.820 0.000 8.103) 19.576 2.049 ( 7.296 0.000 -11.969) 14.018 2.086 ( 7.917 0.000 3.189) 8.535 2.152 ( -1.184 0.000 -12.865) 12.920 2.318 ( 2.963 0.000 2.724) 4.025 2.493 ( -5.295 0.000 -3.350) 6.266 2.731 ( 7.567 0.000 1.497) 7.714 2.921 ( 3.445 0.000 0.592) 3.495 2.925 ( 33.419 0.000 9.872) 34.846 3.055 ( -1.555 0.000 -2.146) 2.650 3.399 ( -6.244 0.000 2.842) 6.861 3.780 ( -2.019 0.000 -4.515) 4.946 3.969 ( 5.047 0.000 1.706) 5.327 4.195 ( -7.691 0.000 1.852) 7.911 4.416 ( -7.523 0.000 1.738) 7.721 4.546 ( -6.408 0.000 2.070) 6.735 4.769 ( 0.966 0.000 -0.757) 1.227 4.940 ( -0.318 0.000 -0.058) 0.323 4.982 ( -4.870 0.000 -4.457) 6.602 5.059 ( -0.829 0.000 -0.498) 0.967 5.141 ( -1.020 0.000 -2.804) 2.984 5.327 ( -3.985 0.000 5.157) 6.518 5.440 ( -4.221 0.000 -2.236) 4.776 5.499 ( -0.876 0.000 0.950) 1.293 5.555 ( 5.505 0.000 6.480) 8.503 5.681 ( 2.673 0.000 0.058) 2.674 5.893 ( -2.009 0.000 -2.652) 3.327 6.331 ( -1.835 0.000 -0.526) 1.909 6.505 ( -0.834 0.000 -1.018) 1.316 6.671 ( 0.206 0.000 -3.694) 3.700 6.831 ( -5.572 0.000 3.319) 6.485 6.870 ( -5.628 0.000 -4.763) 7.373 7.105 ( -2.926 0.000 0.793) 3.031 7.497 ( 0.784 0.000 -2.045) 2.191 7.544 ( -4.562 0.000 2.736) 5.319 7.640 ( -12.599 0.000 -1.480) 12.686 7.786 ( -0.499 0.000 -2.838) 2.882 7.803 ( -0.295 0.000 1.699) 1.724 8.205 ( -8.333 0.000 2.853) 8.808 8.312 ( 0.201 0.000 -0.589) 0.623 8.598 ( -3.367 0.000 1.502) 3.687 9.284 ( -3.454 0.000 4.044) 5.319 9.686 ( -2.493 0.000 -2.504) 3.534 13.397 ( -1.220 0.000 -2.891) 3.137 13.513 ( 0.333 0.000 3.883) 3.897 14.953 ( -6.858 0.000 5.996) 9.109 15.301 ( -0.949 0.000 -6.683) 6.750 17.181 ( 5.239 0.000 3.633) 6.376 17.238 ( 4.123 0.000 -2.939) 5.064 17.892 ( 0.338 0.000 3.159) 3.177 18.077 ( -0.856 0.000 -8.277) 8.322 26.778 ( 0.911 0.000 0.251) 0.945 26.800 ( 0.429 0.000 -0.173) 0.462 26.967 ( -0.509 0.000 0.202) 0.547 27.052 ( -0.160 0.000 -0.743) 0.759 27.215 ( 0.098 0.000 0.731) 0.738 27.293 ( -0.633 0.000 -0.804) 1.023 27.309 ( -0.604 0.000 -0.291) 0.671 27.321 ( -0.107 0.000 0.341) 0.357 34.398 ( 7.209 0.000 2.943) 7.786 34.571 ( 11.473 0.000 -3.136) 11.894 38.031 ( -0.869 0.000 -0.929) 1.272 38.063 ( -2.446 0.000 1.476) 2.857 38.131 ( -3.610 0.000 9.092) 9.783 38.279 ( -0.916 0.000 -2.017) 2.215 39.712 ( 0.518 0.000 8.942) 8.957 41.456 ( -2.601 0.000 -9.739) 10.080 41.458 ( -1.070 0.000 0.272) 1.104 41.569 ( 0.485 0.000 -1.816) 1.879 42.092 ( -11.231 0.000 4.720) 12.182 42.331 ( -27.269 0.000 -41.449) 49.615 44.450 ( -2.464 0.000 -0.083) 2.465 44.627 ( -2.949 0.000 -3.208) 4.358 44.738 ( -1.832 0.000 -0.349) 1.865 44.890 ( -15.181 0.000 -3.365) 15.550 45.578 ( -2.988 0.000 -2.137) 3.674 45.599 ( -0.361 0.000 1.716) 1.754 45.929 ( -0.487 0.000 0.731) 0.878 45.962 ( 0.668 0.000 -0.258) 0.716 53.978 ( 4.680 0.000 -9.104) 10.236 54.640 ( -10.213 0.000 8.811) 13.489 55.083 ( 4.124 0.000 3.452) 5.378 55.962 ( -0.831 0.000 0.906) 1.229 ======================= Grid point 69 (26/114) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.966 ( 9.279 0.000 5.095) 10.586 1.992 ( 9.636 0.000 1.082) 9.696 2.117 ( 0.445 0.000 -4.246) 4.269 2.121 ( 5.426 0.000 -6.253) 8.279 2.255 ( 5.353 0.000 3.643) 6.475 2.369 ( -4.986 0.000 -2.215) 5.456 2.381 ( 4.745 0.000 -0.658) 4.790 2.934 ( -11.253 0.000 -2.941) 11.631 2.939 ( 12.156 0.000 -1.393) 12.236 3.000 ( 3.252 0.000 -0.525) 3.294 3.308 ( -1.916 0.000 8.207) 8.428 3.576 ( 27.233 0.000 2.959) 27.393 3.766 ( 1.305 0.000 -0.883) 1.575 4.017 ( -4.352 0.000 3.202) 5.403 4.102 ( 1.950 0.000 0.472) 2.006 4.273 ( -6.772 0.000 1.713) 6.986 4.446 ( -4.114 0.000 1.204) 4.287 4.781 ( 1.086 0.000 -2.557) 2.779 4.886 ( -3.055 0.000 -6.749) 7.408 4.910 ( -2.344 0.000 3.587) 4.285 5.106 ( 4.049 0.000 -0.577) 4.090 5.107 ( -1.759 0.000 -1.473) 2.294 5.273 ( -2.905 0.000 7.438) 7.985 5.341 ( -3.777 0.000 -2.289) 4.417 5.463 ( -2.236 0.000 -0.450) 2.281 5.647 ( 0.483 0.000 3.465) 3.499 5.755 ( 5.417 0.000 1.404) 5.596 5.846 ( -1.642 0.000 -4.183) 4.494 6.286 ( -2.019 0.000 -2.954) 3.578 6.452 ( -4.156 0.000 1.249) 4.340 6.677 ( 1.393 0.000 -4.052) 4.285 6.739 ( -4.198 0.000 1.748) 4.547 6.757 ( -3.761 0.000 -2.887) 4.741 7.035 ( -4.447 0.000 1.853) 4.817 7.395 ( -10.206 0.000 -2.351) 10.473 7.432 ( -6.954 0.000 2.424) 7.365 7.515 ( 1.878 0.000 -2.020) 2.758 7.773 ( -3.033 0.000 1.413) 3.346 7.775 ( -0.828 0.000 -0.847) 1.185 8.068 ( -5.663 0.000 -0.149) 5.665 8.317 ( 0.616 0.000 -0.757) 0.976 8.532 ( -3.535 0.000 1.934) 4.029 9.234 ( -2.761 0.000 4.280) 5.093 9.637 ( -1.543 0.000 -2.419) 2.869 13.357 ( -1.705 0.000 -2.368) 2.918 13.516 ( -1.002 0.000 2.316) 2.523 14.846 ( -5.198 0.000 5.297) 7.422 15.234 ( -3.463 0.000 -4.548) 5.716 17.292 ( 4.552 0.000 2.947) 5.423 17.326 ( 5.337 0.000 -2.823) 6.038 17.875 ( -2.908 0.000 3.496) 4.548 18.033 ( -1.111 0.000 -6.238) 6.336 26.796 ( 0.744 0.000 0.215) 0.774 26.806 ( 0.188 0.000 -0.068) 0.200 26.959 ( -0.394 0.000 0.318) 0.506 27.044 ( -0.354 0.000 -0.594) 0.691 27.219 ( 0.042 0.000 0.573) 0.575 27.279 ( -0.573 0.000 -0.580) 0.815 27.296 ( -0.499 0.000 -0.273) 0.568 27.318 ( -0.205 0.000 0.253) 0.326 34.537 ( 5.549 0.000 2.158) 5.954 34.781 ( 9.666 0.000 -2.752) 10.050 38.003 ( -1.751 0.000 0.362) 1.788 38.015 ( -2.715 0.000 1.880) 3.302 38.085 ( -3.050 0.000 6.313) 7.011 38.260 ( -0.145 0.000 -2.922) 2.925 39.717 ( -3.029 0.000 9.993) 10.442 41.240 ( -17.753 0.000 -29.872) 34.749 41.438 ( -0.883 0.000 0.214) 0.908 41.569 ( -0.174 0.000 -0.709) 0.730 41.716 ( -16.666 0.000 -6.786) 17.995 41.890 ( -9.344 0.000 3.167) 9.866 44.412 ( -1.305 0.000 -0.064) 1.306 44.535 ( -4.529 0.000 -2.393) 5.123 44.695 ( -4.955 0.000 1.900) 5.307 44.698 ( -1.908 0.000 -0.136) 1.913 45.533 ( -1.313 0.000 -1.255) 1.816 45.596 ( -0.322 0.000 0.988) 1.039 45.916 ( -0.929 0.000 0.619) 1.116 45.971 ( 0.199 0.000 -0.095) 0.221 54.066 ( 5.984 0.000 -6.251) 8.654 54.451 ( -10.305 0.000 8.300) 13.232 55.174 ( 3.815 0.000 1.596) 4.135 55.944 ( -1.288 0.000 -0.096) 1.292 ======================= Grid point 70 (27/114) ======================= q-point: ( 0.42 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 2.065 ( 1.332 0.000 -3.786) 4.013 2.085 ( 1.350 0.000 1.415) 1.956 2.158 ( 3.916 0.000 3.676) 5.371 2.247 ( 4.824 0.000 -0.216) 4.829 2.299 ( -1.260 0.000 -0.443) 1.336 2.348 ( 4.275 0.000 2.274) 4.842 2.492 ( 4.845 0.000 -0.191) 4.849 2.638 ( -15.013 0.000 -0.362) 15.017 3.039 ( 0.883 0.000 0.468) 0.999 3.173 ( 10.641 0.000 -3.443) 11.184 3.349 ( 1.743 0.000 8.224) 8.406 3.812 ( 2.787 0.000 1.658) 3.243 3.921 ( -3.936 0.000 1.961) 4.397 3.976 ( 11.061 0.000 -1.512) 11.164 4.165 ( -4.222 0.000 1.144) 4.375 4.189 ( 4.042 0.000 1.730) 4.397 4.388 ( -1.501 0.000 0.575) 1.607 4.785 ( -1.081 0.000 -4.281) 4.415 4.841 ( 2.074 0.000 -4.976) 5.391 4.887 ( -1.267 0.000 4.652) 4.822 5.065 ( -2.104 0.000 0.384) 2.139 5.139 ( -0.785 0.000 0.983) 1.258 5.252 ( -1.538 0.000 6.329) 6.513 5.328 ( 2.129 0.000 -1.971) 2.902 5.436 ( 1.280 0.000 -2.413) 2.731 5.614 ( -3.106 0.000 -2.352) 3.896 5.803 ( -1.010 0.000 -4.843) 4.947 5.866 ( 3.588 0.000 3.278) 4.860 6.246 ( -0.461 0.000 -3.348) 3.380 6.360 ( -4.992 0.000 2.145) 5.434 6.676 ( -2.028 0.000 -0.305) 2.050 6.678 ( -0.318 0.000 -2.508) 2.528 6.735 ( 2.104 0.000 -1.345) 2.497 6.937 ( -5.764 0.000 1.950) 6.085 7.229 ( -5.290 0.000 -1.218) 5.429 7.301 ( -5.785 0.000 1.375) 5.946 7.568 ( 3.750 0.000 -1.131) 3.916 7.700 ( -4.092 0.000 1.081) 4.232 7.740 ( -2.330 0.000 0.001) 2.330 7.975 ( -3.344 0.000 -1.373) 3.614 8.333 ( 1.085 0.000 -0.452) 1.175 8.471 ( -2.908 0.000 0.986) 3.071 9.199 ( -1.852 0.000 4.065) 4.467 9.609 ( -0.485 0.000 -2.543) 2.589 13.325 ( -0.662 0.000 -1.386) 1.536 13.488 ( -2.025 0.000 0.127) 2.029 14.779 ( -2.917 0.000 4.525) 5.383 15.157 ( -2.429 0.000 -3.019) 3.875 17.371 ( 2.268 0.000 1.814) 2.904 17.433 ( 5.945 0.000 -2.925) 6.625 17.803 ( -5.084 0.000 3.838) 6.370 18.005 ( 0.127 0.000 -4.130) 4.132 26.808 ( 0.048 0.000 0.024) 0.054 26.808 ( 0.377 0.000 0.124) 0.396 26.954 ( -0.179 0.000 0.439) 0.474 27.036 ( -0.268 0.000 -0.556) 0.617 27.220 ( -0.032 0.000 0.422) 0.424 27.268 ( -0.319 0.000 -0.403) 0.514 27.289 ( -0.166 0.000 -0.110) 0.199 27.314 ( -0.258 0.000 0.066) 0.266 34.628 ( 2.724 0.000 1.416) 3.070 34.926 ( 5.170 0.000 -3.276) 6.120 37.964 ( -2.331 0.000 1.957) 3.044 37.969 ( -2.177 0.000 1.497) 2.642 38.051 ( -1.606 0.000 3.017) 3.418 38.260 ( 1.017 0.000 -2.645) 2.834 39.657 ( -5.079 0.000 7.857) 9.355 40.758 ( -13.925 0.000 -23.487) 27.304 41.425 ( -0.467 0.000 0.265) 0.537 41.549 ( -1.837 0.000 2.114) 2.801 41.584 ( -0.899 0.000 -0.323) 0.955 41.749 ( -5.128 0.000 1.664) 5.391 44.395 ( -0.415 0.000 0.114) 0.430 44.462 ( -2.112 0.000 -0.788) 2.254 44.639 ( -1.735 0.000 1.219) 2.120 44.665 ( -1.220 0.000 0.027) 1.220 45.515 ( -0.245 0.000 -0.254) 0.353 45.592 ( -0.364 0.000 0.375) 0.523 45.899 ( -0.739 0.000 0.416) 0.848 45.970 ( -0.164 0.000 -0.386) 0.420 54.171 ( 5.501 0.000 -3.256) 6.392 54.290 ( -7.385 0.000 4.762) 8.787 55.247 ( 2.856 0.000 3.108) 4.221 55.910 ( -1.690 0.000 -1.329) 2.150 ======================= Grid point 71 (28/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 2.063 ( -3.114 0.000 -1.572) 3.489 2.087 ( 2.035 0.000 -1.653) 2.622 2.196 ( -2.940 0.000 1.660) 3.377 2.307 ( 1.545 0.000 0.904) 1.790 2.326 ( 1.463 0.000 2.922) 3.268 2.403 ( -0.798 0.000 1.116) 1.372 2.456 ( 1.128 0.000 3.286) 3.475 2.552 ( 1.013 0.000 1.013) 1.432 3.055 ( 0.881 0.000 1.223) 1.507 3.317 ( 3.948 0.000 -2.994) 4.955 3.381 ( -1.288 0.000 7.630) 7.738 3.873 ( -1.465 0.000 1.422) 2.042 3.876 ( 2.366 0.000 3.692) 4.385 4.106 ( 4.727 0.000 -2.565) 5.378 4.110 ( -1.365 0.000 0.455) 1.439 4.184 ( -4.555 0.000 1.956) 4.957 4.380 ( -1.336 0.000 -0.636) 1.479 4.757 ( 0.807 0.000 -5.482) 5.541 4.859 ( -3.108 0.000 2.719) 4.129 4.909 ( 4.307 0.000 -1.282) 4.494 5.030 ( -1.194 0.000 1.468) 1.892 5.132 ( -0.205 0.000 1.539) 1.552 5.234 ( -2.254 0.000 4.663) 5.179 5.342 ( 0.575 0.000 -2.228) 2.301 5.499 ( 2.828 0.000 -1.699) 3.299 5.530 ( -3.525 0.000 -5.855) 6.834 5.807 ( 4.043 0.000 -2.270) 4.637 5.892 ( -1.581 0.000 0.411) 1.633 6.265 ( 2.852 0.000 -0.738) 2.946 6.275 ( -3.869 0.000 0.387) 3.889 6.659 ( 0.395 0.000 -1.970) 2.010 6.678 ( 0.997 0.000 -1.219) 1.575 6.793 ( 3.214 0.000 1.110) 3.400 6.830 ( -4.154 0.000 0.490) 4.182 7.187 ( 1.437 0.000 0.391) 1.489 7.230 ( -1.371 0.000 0.239) 1.391 7.639 ( -1.492 0.000 0.064) 1.494 7.646 ( 2.981 0.000 -0.211) 2.989 7.698 ( -0.778 0.000 1.125) 1.367 7.921 ( -1.486 0.000 -2.582) 2.978 8.356 ( 1.134 0.000 0.449) 1.220 8.422 ( -1.858 0.000 -0.635) 1.964 9.185 ( -0.720 0.000 3.835) 3.902 9.600 ( 0.336 0.000 -2.662) 2.683 13.328 ( 1.138 0.000 -0.130) 1.146 13.439 ( -2.374 0.000 -2.145) 3.200 14.757 ( -0.543 0.000 4.069) 4.105 15.137 ( 1.530 0.000 -1.906) 2.444 17.385 ( -1.342 0.000 0.423) 1.407 17.545 ( 5.939 0.000 -3.101) 6.699 17.699 ( -6.161 0.000 3.979) 7.334 18.022 ( 2.408 0.000 -1.985) 3.121 26.809 ( 0.035 0.000 0.087) 0.093 26.812 ( -0.058 0.000 0.042) 0.072 26.955 ( 0.067 0.000 0.562) 0.566 27.032 ( 0.044 0.000 -0.584) 0.586 27.220 ( -0.098 0.000 0.335) 0.349 27.264 ( 0.105 0.000 -0.317) 0.334 27.290 ( 0.232 0.000 0.132) 0.266 27.309 ( -0.228 0.000 -0.168) 0.283 34.651 ( -0.798 0.000 0.864) 1.176 34.965 ( -0.178 0.000 -3.973) 3.977 37.926 ( -1.909 0.000 2.086) 2.828 37.941 ( -0.842 0.000 0.815) 1.172 38.039 ( -0.201 0.000 1.291) 1.306 38.283 ( 1.792 0.000 -1.404) 2.276 39.579 ( -3.938 0.000 4.292) 5.824 40.667 ( 10.958 0.000 -12.957) 16.970 41.421 ( -0.042 0.000 0.382) 0.384 41.527 ( -1.015 0.000 1.383) 1.716 41.587 ( 1.087 0.000 0.668) 1.276 41.694 ( -0.797 0.000 0.731) 1.081 44.394 ( 0.193 0.000 0.336) 0.387 44.439 ( -0.113 0.000 -0.568) 0.579 44.622 ( -0.284 0.000 0.917) 0.960 44.653 ( 0.105 0.000 0.140) 0.175 45.522 ( 0.863 0.000 0.679) 1.098 45.583 ( -0.555 0.000 -0.230) 0.601 45.891 ( -0.120 0.000 0.345) 0.366 45.964 ( -0.283 0.000 -0.744) 0.796 54.182 ( -4.196 0.000 1.202) 4.365 54.262 ( 3.959 0.000 -0.060) 3.960 55.313 ( 2.490 0.000 5.389) 5.937 55.879 ( -0.529 0.000 -2.644) 2.697 ======================= Grid point 72 (29/114) ======================= q-point: (-0.42 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.956 ( -6.667 0.000 -2.711) 7.197 2.130 ( 1.544 0.000 -0.460) 1.611 2.133 ( -1.082 0.000 0.973) 1.455 2.260 ( -9.006 0.000 1.746) 9.174 2.354 ( -1.331 0.000 1.143) 1.754 2.394 ( 4.952 0.000 2.618) 5.601 2.549 ( -1.605 0.000 1.968) 2.539 2.586 ( 7.449 0.000 -2.312) 7.800 3.078 ( -0.130 0.000 1.305) 1.311 3.288 ( -6.899 0.000 0.635) 6.928 3.366 ( -1.028 0.000 9.111) 9.169 3.834 ( -5.497 0.000 -2.843) 6.188 3.918 ( 0.276 0.000 6.285) 6.292 4.069 ( -5.486 0.000 4.955) 7.392 4.119 ( 2.485 0.000 -1.082) 2.710 4.166 ( -0.888 0.000 -0.810) 1.202 4.315 ( -0.979 0.000 -2.207) 2.414 4.791 ( 4.143 0.000 -6.899) 8.047 4.801 ( -1.913 0.000 0.246) 1.929 4.940 ( -1.774 0.000 3.090) 3.563 5.076 ( 4.594 0.000 1.223) 4.754 5.138 ( 0.478 0.000 1.177) 1.271 5.187 ( -2.512 0.000 3.191) 4.061 5.360 ( 1.837 0.000 -1.496) 2.369 5.448 ( -2.461 0.000 -7.582) 7.971 5.500 ( -1.338 0.000 1.587) 2.076 5.829 ( -3.868 0.000 -1.425) 4.122 5.947 ( 6.994 0.000 1.018) 7.068 6.214 ( -0.355 0.000 -3.440) 3.458 6.330 ( 2.775 0.000 0.985) 2.945 6.652 ( -0.631 0.000 -1.436) 1.568 6.718 ( 3.358 0.000 -0.189) 3.363 6.815 ( 3.139 0.000 -3.614) 4.787 6.862 ( 2.746 0.000 3.845) 4.725 7.233 ( 1.466 0.000 -1.765) 2.294 7.280 ( 6.963 0.000 1.271) 7.078 7.642 ( -1.434 0.000 2.174) 2.604 7.654 ( 2.877 0.000 -1.032) 3.056 7.760 ( 4.243 0.000 1.025) 4.365 7.893 ( -0.411 0.000 -4.573) 4.591 8.379 ( 0.810 0.000 1.808) 1.981 8.399 ( 0.192 0.000 -1.949) 1.959 9.196 ( 0.713 0.000 3.886) 3.951 9.608 ( 1.335 0.000 -2.545) 2.874 13.367 ( 2.399 0.000 0.903) 2.563 13.384 ( -2.037 0.000 -3.892) 4.393 14.779 ( 1.549 0.000 3.954) 4.247 15.211 ( 6.101 0.000 -0.945) 6.173 17.326 ( -4.198 0.000 -0.426) 4.219 17.583 ( -6.300 0.000 4.327) 7.643 17.649 ( 5.083 0.000 -3.761) 6.323 18.084 ( 3.859 0.000 -0.651) 3.913 26.807 ( -0.446 0.000 0.045) 0.448 26.810 ( 0.027 0.000 0.111) 0.114 26.960 ( 0.270 0.000 0.658) 0.711 27.034 ( 0.416 0.000 -0.646) 0.768 27.218 ( -0.174 0.000 0.334) 0.376 27.270 ( 0.555 0.000 -0.299) 0.631 27.298 ( 0.509 0.000 0.309) 0.596 27.305 ( -0.098 0.000 -0.358) 0.372 34.601 ( -4.354 0.000 0.515) 4.385 34.902 ( -4.679 0.000 -3.880) 6.079 37.902 ( -0.861 0.000 1.163) 1.447 37.941 ( 0.725 0.000 0.273) 0.775 38.051 ( 0.996 0.000 1.220) 1.575 38.319 ( 1.877 0.000 0.148) 1.883 39.534 ( -1.301 0.000 1.318) 1.852 41.079 ( 29.148 0.000 -11.899) 31.483 41.425 ( 0.324 0.000 0.407) 0.520 41.510 ( -0.867 0.000 -0.256) 0.904 41.673 ( 10.108 0.000 4.987) 11.271 41.718 ( 3.097 0.000 -0.003) 3.097 44.404 ( 0.692 0.000 0.503) 0.855 44.453 ( 1.866 0.000 -1.199) 2.218 44.632 ( 0.906 0.000 0.972) 1.329 44.671 ( 1.541 0.000 0.282) 1.567 45.552 ( 1.806 0.000 1.336) 2.247 45.568 ( -0.687 0.000 -0.786) 1.044 45.897 ( 0.466 0.000 0.399) 0.614 45.956 ( -0.140 0.000 -0.864) 0.875 54.123 ( -1.603 0.000 -2.351) 2.846 54.331 ( 2.400 0.000 3.600) 4.327 55.382 ( 2.299 0.000 8.045) 8.367 55.888 ( 2.707 0.000 -2.802) 3.896 ======================= Grid point 73 (30/114) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.757 ( -12.593 0.000 -3.663) 13.115 1.949 ( -17.718 0.000 0.608) 17.728 2.156 ( -3.422 0.000 -1.087) 3.591 2.201 ( 7.478 0.000 0.461) 7.492 2.334 ( -1.466 0.000 1.923) 2.418 2.506 ( 4.475 0.000 0.331) 4.488 2.509 ( -2.823 0.000 5.085) 5.816 2.717 ( 8.023 0.000 -8.627) 11.781 3.011 ( -6.248 0.000 -0.161) 6.250 3.062 ( -14.726 0.000 3.432) 15.120 3.430 ( 3.089 0.000 10.086) 10.549 3.467 ( -28.043 0.000 -1.758) 28.098 3.939 ( 0.324 0.000 6.552) 6.560 4.052 ( -5.183 0.000 0.407) 5.199 4.118 ( 4.630 0.000 5.346) 7.072 4.203 ( 6.155 0.000 -1.719) 6.391 4.386 ( 5.716 0.000 -1.784) 5.988 4.813 ( 3.541 0.000 -1.374) 3.798 4.866 ( 3.693 0.000 -6.167) 7.188 4.905 ( -0.683 0.000 1.823) 1.947 5.078 ( -2.549 0.000 -0.020) 2.550 5.150 ( -0.084 0.000 1.956) 1.958 5.252 ( 5.094 0.000 3.766) 6.335 5.389 ( -0.772 0.000 -5.788) 5.839 5.406 ( 2.876 0.000 -1.275) 3.146 5.491 ( -0.011 0.000 3.105) 3.105 5.739 ( -4.464 0.000 -1.410) 4.681 5.989 ( -2.468 0.000 2.149) 3.272 6.305 ( 9.446 0.000 -4.958) 10.668 6.368 ( 0.655 0.000 1.261) 1.421 6.651 ( 1.471 0.000 -2.150) 2.606 6.813 ( 5.293 0.000 0.857) 5.362 6.898 ( 5.608 0.000 -5.226) 7.665 6.926 ( 2.498 0.000 5.564) 6.099 7.268 ( 2.725 0.000 -4.052) 4.883 7.445 ( 7.950 0.000 0.398) 7.960 7.630 ( -0.308 0.000 3.709) 3.722 7.717 ( 2.848 0.000 -2.299) 3.660 7.848 ( 4.119 0.000 2.138) 4.641 7.871 ( -0.235 0.000 -6.717) 6.721 8.399 ( 0.358 0.000 3.161) 3.181 8.426 ( 3.142 0.000 -2.728) 4.161 9.238 ( 2.274 0.000 4.220) 4.794 9.642 ( 2.716 0.000 -2.202) 3.497 13.336 ( -1.438 0.000 -4.748) 4.961 13.420 ( 2.296 0.000 1.431) 2.706 14.840 ( 3.258 0.000 3.947) 5.118 15.369 ( 9.305 0.000 0.375) 9.313 17.224 ( -5.517 0.000 -0.474) 5.537 17.474 ( -5.521 0.000 4.185) 6.928 17.722 ( 3.033 0.000 -4.061) 5.069 18.163 ( 3.926 0.000 -0.566) 3.967 26.795 ( -0.721 0.000 0.137) 0.734 26.810 ( -0.102 0.000 0.090) 0.136 26.969 ( 0.374 0.000 0.686) 0.781 27.044 ( 0.676 0.000 -0.699) 0.972 27.215 ( -0.253 0.000 0.402) 0.475 27.284 ( 0.846 0.000 -0.348) 0.915 27.303 ( 0.088 0.000 -0.418) 0.427 27.310 ( 0.583 0.000 0.362) 0.686 34.483 ( -7.287 0.000 0.183) 7.289 34.764 ( -7.601 0.000 -2.896) 8.135 37.898 ( 0.241 0.000 0.143) 0.280 37.969 ( 1.904 0.000 -0.102) 1.906 38.085 ( 1.791 0.000 2.305) 2.919 38.357 ( 1.533 0.000 1.452) 2.112 39.531 ( 0.588 0.000 -0.055) 0.591 41.412 ( 5.482 0.000 -9.694) 11.136 41.436 ( 0.658 0.000 0.313) 0.728 41.501 ( 0.899 0.000 -1.241) 1.532 41.817 ( 6.716 0.000 -0.802) 6.764 42.300 ( 48.838 0.000 -0.164) 48.838 44.425 ( 1.272 0.000 0.574) 1.396 44.521 ( 6.158 0.000 -3.808) 7.240 44.664 ( 1.997 0.000 1.443) 2.464 44.714 ( 2.517 0.000 0.580) 2.583 45.552 ( -0.622 0.000 -1.135) 1.294 45.600 ( 2.411 0.000 1.498) 2.838 45.910 ( 0.632 0.000 0.413) 0.755 45.956 ( 0.496 0.000 -0.366) 0.616 54.099 ( 0.484 0.000 -6.246) 6.265 54.379 ( 0.655 0.000 6.613) 6.645 55.450 ( 1.418 0.000 10.984) 11.075 55.999 ( 9.569 0.000 0.965) 9.617 ======================= Grid point 74 (31/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.425 ( -18.840 0.000 -3.248) 19.118 1.539 ( -22.350 0.000 0.917) 22.369 2.021 ( -8.838 0.000 0.091) 8.839 2.251 ( -8.340 0.000 -0.211) 8.342 2.392 ( 8.944 0.000 -1.126) 9.014 2.485 ( -3.302 0.000 7.313) 8.024 2.564 ( 3.406 0.000 -6.829) 7.631 2.764 ( -20.007 0.000 3.343) 20.285 2.824 ( -26.781 0.000 6.509) 27.561 2.853 ( -0.904 0.000 2.324) 2.494 2.895 ( 4.431 0.000 -8.632) 9.703 3.482 ( -0.806 0.000 4.918) 4.984 3.927 ( -5.979 0.000 -2.302) 6.407 3.971 ( 0.803 0.000 3.775) 3.860 4.263 ( 5.805 0.000 7.035) 9.121 4.352 ( 8.899 0.000 -1.221) 8.982 4.505 ( 6.864 0.000 -0.697) 6.900 4.831 ( -3.438 0.000 2.079) 4.018 4.931 ( 7.938 0.000 -0.806) 7.979 4.995 ( 6.975 0.000 -6.585) 9.592 5.054 ( 0.519 0.000 -0.505) 0.724 5.145 ( -1.081 0.000 3.546) 3.708 5.290 ( -0.374 0.000 -3.233) 3.254 5.431 ( 3.606 0.000 4.190) 5.528 5.449 ( 1.517 0.000 -1.974) 2.489 5.515 ( 1.054 0.000 2.423) 2.643 5.642 ( -4.669 0.000 -0.653) 4.715 5.932 ( -2.349 0.000 -0.791) 2.478 6.370 ( -0.645 0.000 1.176) 1.342 6.498 ( 9.972 0.000 -1.948) 10.161 6.701 ( 4.120 0.000 -2.960) 5.073 6.886 ( 0.524 0.000 4.452) 4.483 6.992 ( 4.841 0.000 -5.578) 7.386 7.023 ( 5.660 0.000 3.001) 6.407 7.316 ( 3.309 0.000 -4.567) 5.640 7.527 ( -0.490 0.000 -0.583) 0.762 7.694 ( 5.483 0.000 3.040) 6.269 7.723 ( -1.156 0.000 -6.156) 6.263 7.847 ( -0.242 0.000 -5.861) 5.866 7.959 ( 6.539 0.000 4.059) 7.696 8.410 ( -0.376 0.000 4.043) 4.061 8.499 ( 4.584 0.000 -3.379) 5.694 9.309 ( 3.302 0.000 4.478) 5.564 9.701 ( 3.562 0.000 -1.994) 4.082 13.299 ( -0.818 0.000 -4.804) 4.873 13.460 ( 1.043 0.000 1.681) 1.979 14.933 ( 4.737 0.000 3.779) 6.060 15.580 ( 10.917 0.000 2.454) 11.190 17.109 ( -5.545 0.000 0.027) 5.545 17.390 ( -3.923 0.000 4.264) 5.794 17.739 ( -0.188 0.000 -4.486) 4.490 18.231 ( 2.897 0.000 -1.931) 3.482 26.779 ( -0.854 0.000 0.253) 0.891 26.806 ( -0.354 0.000 0.021) 0.355 26.978 ( 0.362 0.000 0.623) 0.720 27.056 ( 0.742 0.000 -0.762) 1.063 27.211 ( -0.278 0.000 0.507) 0.578 27.301 ( 0.897 0.000 -0.448) 1.003 27.305 ( 0.217 0.000 -0.331) 0.396 27.322 ( 0.477 0.000 0.302) 0.564 34.317 ( -8.794 0.000 -0.353) 8.801 34.589 ( -8.732 0.000 -1.619) 8.881 37.912 ( 1.117 0.000 -0.417) 1.192 38.014 ( 2.447 0.000 -0.440) 2.486 38.133 ( 1.827 0.000 4.090) 4.480 38.388 ( 0.946 0.000 2.387) 2.568 39.550 ( 1.123 0.000 -0.085) 1.126 41.409 ( -1.059 0.000 -7.957) 8.028 41.453 ( 0.874 0.000 0.202) 0.897 41.533 ( 1.932 0.000 -1.880) 2.696 41.980 ( 9.493 0.000 -1.399) 9.595 43.296 ( 43.356 0.000 -9.790) 44.447 44.460 ( 2.022 0.000 0.524) 2.089 44.660 ( 4.918 0.000 -4.700) 6.803 44.771 ( 2.670 0.000 1.182) 2.919 44.791 ( 16.735 0.000 -7.955) 18.529 45.538 ( -0.416 0.000 -1.155) 1.228 45.659 ( 3.252 0.000 1.238) 3.480 45.921 ( 0.314 0.000 0.223) 0.385 45.988 ( 3.288 0.000 0.999) 3.436 54.105 ( 2.624 0.000 -10.396) 10.722 54.383 ( -2.608 0.000 6.606) 7.102 55.495 ( -0.900 0.000 14.110) 14.139 56.331 ( 22.558 0.000 12.098) 25.597 ======================= Grid point 75 (32/114) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 0.996 ( -22.429 0.000 -0.437) 22.434 1.071 ( -24.011 0.000 3.552) 24.272 1.832 ( -12.160 0.000 -0.617) 12.175 1.906 ( -29.704 0.000 10.246) 31.422 2.132 ( -17.983 0.000 6.751) 19.209 2.427 ( -2.577 0.000 -8.155) 8.552 2.461 ( -7.201 0.000 1.579) 7.372 2.621 ( -0.045 0.000 -4.185) 4.185 2.682 ( -1.769 0.000 10.686) 10.832 2.871 ( 8.572 0.000 1.830) 8.765 3.054 ( 9.046 0.000 -7.125) 11.515 3.433 ( -3.873 0.000 -2.769) 4.761 3.810 ( -4.515 0.000 -2.654) 5.238 3.972 ( -1.383 0.000 -0.034) 1.383 4.371 ( 3.201 0.000 6.777) 7.495 4.550 ( 10.571 0.000 -0.289) 10.575 4.665 ( 8.520 0.000 0.457) 8.532 4.764 ( -3.696 0.000 2.186) 4.294 5.076 ( 1.247 0.000 -1.656) 2.073 5.104 ( 8.145 0.000 1.769) 8.335 5.119 ( 6.927 0.000 -4.947) 8.512 5.131 ( -1.020 0.000 3.193) 3.352 5.288 ( 1.326 0.000 -1.728) 2.178 5.453 ( -0.700 0.000 -1.126) 1.325 5.457 ( -3.473 0.000 2.631) 4.358 5.519 ( -1.330 0.000 -0.802) 1.554 5.580 ( -0.721 0.000 2.447) 2.551 5.910 ( 0.888 0.000 -3.302) 3.419 6.360 ( -0.396 0.000 0.868) 0.954 6.673 ( 6.870 0.000 -4.562) 8.247 6.803 ( 6.904 0.000 0.525) 6.924 6.877 ( -2.482 0.000 6.047) 6.536 7.044 ( 1.710 0.000 -6.426) 6.650 7.136 ( 4.375 0.000 0.892) 4.465 7.379 ( 4.120 0.000 -0.657) 4.172 7.477 ( -3.433 0.000 0.001) 3.433 7.649 ( -3.254 0.000 -9.655) 10.189 7.802 ( 4.233 0.000 0.882) 4.324 7.815 ( -1.563 0.000 -3.085) 3.459 8.139 ( 9.112 0.000 4.871) 10.332 8.403 ( -1.683 0.000 4.290) 4.608 8.578 ( 4.030 0.000 -3.594) 5.400 9.388 ( 2.953 0.000 4.219) 5.150 9.763 ( 3.001 0.000 -2.301) 3.782 13.278 ( 0.233 0.000 -4.257) 4.263 13.472 ( -0.260 0.000 2.073) 2.089 15.051 ( 5.634 0.000 3.487) 6.626 15.820 ( 11.798 0.000 4.168) 12.513 17.008 ( -4.368 0.000 0.920) 4.464 17.343 ( -2.085 0.000 3.998) 4.508 17.689 ( -3.255 0.000 -4.429) 5.496 18.255 ( 0.052 0.000 -5.926) 5.926 26.763 ( -0.819 0.000 0.305) 0.874 26.796 ( -0.550 0.000 -0.083) 0.556 26.986 ( 0.243 0.000 0.483) 0.541 27.067 ( 0.528 0.000 -1.035) 1.161 27.207 ( -0.221 0.000 0.619) 0.657 27.309 ( 0.228 0.000 -0.169) 0.284 27.316 ( 0.749 0.000 -0.571) 0.941 27.331 ( 0.276 0.000 0.174) 0.327 34.142 ( -7.723 0.000 -0.827) 7.768 34.414 ( -7.899 0.000 -0.656) 7.926 37.939 ( 1.627 0.000 -0.471) 1.694 38.061 ( 2.326 0.000 -0.839) 2.472 38.178 ( 1.041 0.000 6.062) 6.151 38.409 ( 0.354 0.000 2.998) 3.019 39.570 ( 0.759 0.000 -0.019) 0.759 41.337 ( -3.545 0.000 -11.915) 12.431 41.471 ( 0.863 0.000 0.161) 0.878 41.561 ( 1.355 0.000 -1.485) 2.010 42.178 ( 9.985 0.000 -1.283) 10.067 43.830 ( 14.281 0.000 -13.610) 19.727 44.510 ( 2.711 0.000 0.315) 2.730 44.705 ( 1.444 0.000 -1.405) 2.014 44.823 ( 1.763 0.000 2.031) 2.689 45.138 ( 13.970 0.000 -35.857) 38.482 45.530 ( -0.023 0.000 -0.691) 0.691 45.751 ( 5.210 0.000 0.121) 5.211 45.922 ( -0.215 0.000 -0.243) 0.325 46.152 ( 14.063 0.000 -4.912) 14.896 54.148 ( 5.433 0.000 -14.181) 15.186 54.310 ( -5.940 0.000 4.061) 7.195 55.489 ( -4.483 0.000 17.498) 18.063 57.026 ( 40.985 0.000 26.660) 48.893 ======================= Grid point 76 (33/114) ======================= q-point: (-0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 0.557 ( -20.027 0.000 7.716) 21.462 0.633 ( -19.466 0.000 12.983) 23.398 1.184 ( -35.118 0.000 21.659) 41.260 1.729 ( -5.133 0.000 12.025) 13.075 1.893 ( -9.072 0.000 3.560) 9.745 2.331 ( -2.940 0.000 -10.108) 10.527 2.338 ( -4.322 0.000 -4.033) 5.911 2.570 ( -2.743 0.000 -1.970) 3.377 2.694 ( -1.367 0.000 12.058) 12.135 3.088 ( 9.441 0.000 -0.702) 9.467 3.195 ( 6.383 0.000 -6.857) 9.368 3.335 ( -2.660 0.000 -9.847) 10.200 3.739 ( -1.698 0.000 -1.847) 2.509 3.924 ( -2.530 0.000 -2.432) 3.510 4.475 ( 7.028 0.000 8.436) 10.980 4.689 ( -3.054 0.000 2.200) 3.764 4.763 ( 8.488 0.000 -0.208) 8.490 4.824 ( 6.151 0.000 -0.090) 6.152 5.084 ( 0.540 0.000 -3.234) 3.279 5.098 ( -2.978 0.000 4.548) 5.436 5.236 ( 4.356 0.000 -0.721) 4.415 5.260 ( 5.368 0.000 0.373) 5.381 5.307 ( -0.574 0.000 -0.484) 0.751 5.386 ( -0.458 0.000 0.459) 0.649 5.393 ( -6.030 0.000 -4.394) 7.461 5.478 ( -0.983 0.000 -0.741) 1.231 5.572 ( -2.149 0.000 3.489) 4.097 5.930 ( 1.608 0.000 -6.271) 6.473 6.365 ( 0.654 0.000 0.722) 0.974 6.646 ( -9.924 0.000 -18.010) 20.563 6.832 ( -3.569 0.000 5.667) 6.697 6.956 ( 3.204 0.000 0.115) 3.206 7.059 ( 5.395 0.000 0.768) 5.450 7.198 ( 1.669 0.000 -0.985) 1.938 7.408 ( -3.071 0.000 0.599) 3.129 7.508 ( 5.313 0.000 5.726) 7.811 7.586 ( 4.511 0.000 -2.397) 5.108 7.802 ( 3.520 0.000 5.483) 6.516 7.871 ( 2.478 0.000 -0.473) 2.523 8.306 ( 4.847 0.000 3.966) 6.263 8.369 ( -2.615 0.000 3.903) 4.698 8.639 ( 3.106 0.000 -3.024) 4.335 9.443 ( 1.098 0.000 3.422) 3.594 9.804 ( 1.711 0.000 -2.866) 3.338 13.289 ( 2.009 0.000 -2.784) 3.433 13.466 ( -0.976 0.000 2.095) 2.312 15.167 ( 4.352 0.000 3.473) 5.568 16.049 ( 7.114 0.000 -4.383) 8.356 16.944 ( -2.281 0.000 1.819) 2.918 17.317 ( -1.945 0.000 1.545) 2.484 17.609 ( -2.392 0.000 -2.220) 3.263 18.140 ( -10.975 0.000 -14.247) 17.984 26.749 ( -0.588 0.000 0.243) 0.636 26.785 ( -0.455 0.000 -0.191) 0.494 26.990 ( 0.055 0.000 0.305) 0.310 27.064 ( -0.795 0.000 -2.032) 2.182 27.206 ( -0.144 0.000 0.707) 0.722 27.313 ( 0.172 0.000 -0.009) 0.172 27.327 ( 0.484 0.000 -0.756) 0.897 27.335 ( 0.057 0.000 0.014) 0.059 34.021 ( -3.613 0.000 -0.404) 3.635 34.280 ( -4.913 0.000 -0.186) 4.917 37.973 ( 1.759 0.000 -0.343) 1.792 38.098 ( 1.552 0.000 -1.350) 2.057 38.207 ( -0.259 0.000 7.746) 7.750 38.418 ( -0.591 0.000 2.641) 2.706 39.578 ( 0.242 0.000 -0.700) 0.740 41.124 ( -16.778 0.000 -24.642) 29.811 41.487 ( 0.579 0.000 0.211) 0.616 41.578 ( 0.758 0.000 -1.280) 1.487 42.354 ( 7.096 0.000 -0.347) 7.104 43.772 ( -23.359 0.000 -45.652) 51.281 44.566 ( 2.516 0.000 -0.025) 2.516 44.714 ( -0.448 0.000 -3.317) 3.347 44.847 ( -0.204 0.000 2.451) 2.459 44.949 ( -19.167 0.000 -34.869) 39.789 45.536 ( 0.716 0.000 0.563) 0.911 45.830 ( 2.468 0.000 -0.306) 2.487 45.913 ( -0.380 0.000 -0.841) 0.923 46.302 ( -1.622 0.000 -20.487) 20.551 54.188 ( -6.346 0.000 1.022) 6.428 54.246 ( 8.956 0.000 -16.770) 19.012 55.420 ( -7.997 0.000 21.438) 22.881 58.048 ( 43.753 0.000 2.961) 43.853 ======================= Grid point 77 (34/114) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -1.842 20.215 13.810) 24.551 0.862 ( -6.635 17.777 22.071) 29.106 1.186 ( 7.529 31.167 19.602) 37.581 1.643 ( -1.584 -5.105 18.316) 19.081 1.821 ( -1.329 0.021 1.557) 2.047 2.173 ( -1.076 -2.810 -10.716) 11.130 2.322 ( -0.575 1.649 -7.746) 7.940 2.487 ( -0.002 -3.479 -2.860) 4.503 2.660 ( -2.248 -1.636 7.364) 7.871 3.080 ( -0.330 -7.672 -2.559) 8.094 3.273 ( -0.290 4.947 -9.524) 10.736 3.366 ( 4.948 -0.082 -5.572) 7.453 3.814 ( 1.415 7.916 -2.916) 8.554 4.066 ( -1.113 8.867 -10.295) 13.633 4.568 ( -1.285 -12.080 7.076) 14.059 4.630 ( -0.840 -3.011 1.901) 3.658 4.731 ( -0.340 -6.803 -1.430) 6.960 4.858 ( 1.811 -0.604 -0.314) 1.935 4.924 ( 3.948 -3.637 0.292) 5.376 4.978 ( -1.696 -4.430 3.484) 5.886 5.159 ( -0.360 1.762 -3.872) 4.269 5.247 ( -0.179 0.503 -4.236) 4.269 5.324 ( -0.856 2.653 2.439) 3.704 5.441 ( 1.278 1.466 0.599) 2.034 5.463 ( -1.067 2.483 0.740) 2.802 5.495 ( 0.221 2.097 0.487) 2.164 5.542 ( -0.970 3.299 3.788) 5.116 5.872 ( -0.694 -5.410 0.609) 5.489 6.158 ( -1.876 3.008 7.375) 8.183 6.663 ( -0.279 3.258 -4.025) 5.185 6.745 ( -3.591 -1.236 0.443) 3.824 6.956 ( 0.865 -2.397 -0.061) 2.549 7.079 ( 1.360 -4.080 2.000) 4.743 7.252 ( -0.868 4.254 -5.021) 6.637 7.423 ( 1.690 3.244 1.615) 3.999 7.546 ( -1.035 -0.724 2.330) 2.651 7.620 ( 5.728 -6.295 4.881) 9.812 7.732 ( 3.788 -7.481 9.266) 12.497 7.908 ( 1.695 -3.301 1.196) 3.899 8.239 ( -1.180 -8.928 1.487) 9.128 8.473 ( -2.302 13.042 1.004) 13.281 8.719 ( 1.230 5.265 -2.249) 5.856 9.357 ( -0.888 -8.063 2.036) 8.363 9.670 ( -0.016 -13.337 -2.802) 13.628 13.609 ( -2.786 16.174 1.624) 16.492 14.608 ( 20.354 8.841 -19.737) 29.699 15.317 ( 2.746 9.753 -2.267) 10.383 15.543 ( -25.002 1.271 -3.424) 25.267 17.024 ( 0.142 8.747 1.566) 8.887 17.518 ( -3.977 -1.688 -5.093) 6.678 17.926 ( -10.528 9.109 -6.835) 15.509 17.981 ( 10.416 14.721 -16.690) 24.571 26.765 ( -0.182 2.128 0.094) 2.138 26.862 ( -0.099 2.085 -2.280) 3.092 26.969 ( 0.140 -2.080 0.410) 2.125 26.996 ( -0.383 -1.797 -0.045) 1.838 27.222 ( -0.034 1.358 0.798) 1.575 27.321 ( 0.012 -0.894 0.013) 0.894 27.351 ( 0.022 2.178 -1.107) 2.443 27.432 ( 0.056 2.440 -3.521) 4.284 34.710 ( -0.171 45.936 2.548) 46.007 37.897 ( -3.077 -5.152 -3.070) 6.740 38.122 ( 3.332 1.895 0.187) 3.837 38.196 ( -1.869 0.454 4.770) 5.143 38.282 ( 1.319 0.674 2.319) 2.752 39.025 ( -44.329 7.934 -45.509) 64.024 39.677 ( 61.392 129.287 -138.862) 199.416 40.662 ( 8.401 10.333 -12.707) 18.407 41.596 ( -0.139 2.496 -2.279) 3.383 41.717 ( 16.752 20.188 -22.348) 34.462 42.259 ( -18.030 4.744 -11.544) 21.928 42.777 ( -28.207 14.451 -10.943) 33.529 44.554 ( 1.426 -1.833 0.334) 2.346 44.681 ( -0.320 -2.329 -1.834) 2.982 44.900 ( 2.484 9.766 0.837) 10.112 45.063 ( 4.262 18.517 -19.225) 27.031 45.573 ( 1.547 2.176 0.129) 2.673 45.863 ( 0.031 0.983 -0.597) 1.150 45.900 ( 0.109 -0.570 -1.296) 1.420 46.116 ( -3.530 -2.312 -7.501) 8.606 54.125 ( -4.512 4.803 -3.808) 7.611 54.471 ( 6.535 0.190 -20.516) 21.533 55.772 ( -0.663 34.402 -7.120) 35.137 57.454 ( -53.686 -14.348 -18.166) 58.464 ======================= Grid point 78 (35/114) ======================= q-point: ( 0.08 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 15.187 13.605 9.375) 22.442 0.987 ( 10.982 10.978 20.754) 25.920 1.594 ( 18.812 12.022 17.258) 28.218 1.739 ( 9.676 7.161 14.031) 18.488 1.866 ( 5.210 -2.779 2.222) 6.309 2.127 ( 0.120 -2.739 -11.192) 11.523 2.330 ( 3.276 1.892 -10.240) 10.916 2.490 ( 1.005 -1.919 -3.041) 3.734 2.647 ( -0.545 -0.727 5.380) 5.456 3.036 ( -2.744 -1.543 -2.184) 3.832 3.217 ( -3.006 4.773 -6.794) 8.831 3.424 ( 2.086 -2.348 -2.763) 4.183 3.846 ( 2.107 6.804 -2.617) 7.588 3.986 ( -2.357 6.791 -8.897) 11.438 4.448 ( -7.951 -5.686 6.280) 11.619 4.611 ( -2.277 -4.529 0.981) 5.163 4.675 ( -3.231 -2.749 -1.214) 4.412 4.848 ( -2.961 -1.086 1.474) 3.481 4.983 ( -0.451 -0.211 2.053) 2.112 5.082 ( 5.353 -4.492 -1.381) 7.124 5.152 ( -0.234 -2.323 -3.883) 4.531 5.251 ( 0.501 -0.391 -2.807) 2.878 5.328 ( 0.415 0.919 1.828) 2.088 5.422 ( -0.038 1.794 2.512) 3.087 5.454 ( -0.910 0.788 0.773) 1.431 5.537 ( 3.527 1.465 -0.528) 3.855 5.579 ( 2.697 3.803 1.982) 5.066 5.882 ( 1.747 -8.617 -0.834) 8.831 6.149 ( -0.659 0.710 5.217) 5.306 6.621 ( -3.148 6.511 -4.140) 8.333 6.669 ( -3.134 -5.136 2.105) 6.374 6.956 ( -0.795 -3.023 0.455) 3.159 7.070 ( -2.376 -4.597 2.437) 5.720 7.193 ( -3.246 5.618 -6.044) 8.867 7.472 ( 2.382 3.533 1.985) 4.701 7.535 ( -0.927 -4.075 2.037) 4.649 7.708 ( 2.905 -2.569 2.048) 4.386 7.811 ( 0.472 -5.227 0.371) 5.262 7.911 ( -4.043 -14.502 7.994) 17.046 8.207 ( -2.935 -8.250 1.469) 8.879 8.467 ( 1.573 10.483 1.216) 10.670 8.732 ( 0.610 5.855 -1.262) 6.021 9.330 ( -2.291 -7.110 2.113) 7.763 9.652 ( -0.911 -13.254 -2.853) 13.588 13.538 ( -3.986 17.451 -0.947) 17.926 14.784 ( -9.873 35.166 -28.720) 46.464 14.880 ( -15.353 -2.429 14.439) 21.215 15.394 ( 1.205 7.145 -1.783) 7.462 17.057 ( 2.491 7.996 2.421) 8.718 17.370 ( -5.659 7.568 -7.501) 12.065 17.812 ( 0.908 7.753 -0.335) 7.813 18.101 ( 4.134 2.036 -11.706) 12.580 26.766 ( 0.271 2.016 0.120) 2.038 26.843 ( -0.708 2.594 -1.525) 3.091 26.966 ( -0.466 -1.767 0.289) 1.851 27.006 ( 0.978 -2.300 -0.407) 2.532 27.224 ( 0.053 1.418 0.847) 1.653 27.320 ( -0.202 -0.742 -0.036) 0.769 27.343 ( -0.459 1.979 -1.167) 2.343 27.399 ( -1.805 3.079 -2.057) 4.120 34.755 ( 3.698 47.399 2.634) 47.616 36.822 ( -81.201 127.801 -53.269) 160.512 38.059 ( -4.175 5.094 -0.695) 6.623 38.151 ( -3.056 -3.400 8.141) 9.337 38.161 ( -0.782 3.553 -0.936) 3.756 38.300 ( -0.653 0.349 -1.228) 1.434 39.664 ( -2.871 15.040 -9.791) 18.174 41.222 ( 16.062 -10.181 -19.350) 27.131 41.573 ( -1.421 1.961 -2.075) 3.189 41.776 ( -7.331 19.394 -12.926) 24.432 42.150 ( 9.762 -15.787 -15.647) 24.276 42.668 ( 5.285 3.335 -27.245) 27.953 44.569 ( -0.561 -1.221 -0.095) 1.347 44.663 ( -0.767 -3.004 -2.012) 3.696 44.808 ( -5.265 4.117 1.470) 6.843 45.236 ( 6.280 3.849 -17.691) 19.164 45.616 ( 2.276 3.975 -1.803) 4.922 45.841 ( -1.721 0.528 -1.187) 2.156 45.912 ( 0.983 -0.429 -0.555) 1.208 46.021 ( -4.849 -3.297 -10.121) 11.697 54.030 ( -2.374 5.135 -7.580) 9.459 54.569 ( 8.698 -5.825 -17.214) 20.147 55.642 ( -11.564 35.272 -3.104) 37.249 56.401 ( -33.494 8.180 11.538) 36.358 ======================= Grid point 79 (36/114) ======================= q-point: ( 0.17 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 20.827 5.222 5.351) 22.129 1.334 ( 16.463 5.753 14.379) 22.603 1.834 ( 8.512 -3.680 8.033) 12.269 1.997 ( 7.505 -0.120 -1.126) 7.590 2.113 ( 2.814 -2.257 -8.885) 9.589 2.242 ( 21.241 7.785 8.105) 24.030 2.368 ( 3.699 2.046 -10.694) 11.499 2.513 ( 5.048 0.758 0.947) 5.191 2.697 ( 4.608 2.883 1.601) 5.666 2.976 ( -2.623 3.880 1.155) 4.824 3.127 ( -3.517 3.355 -2.993) 5.708 3.432 ( -0.981 -3.134 0.183) 3.289 3.839 ( -2.083 1.744 -5.255) 5.916 3.972 ( 3.030 5.740 -4.064) 7.658 4.308 ( -7.380 -3.267 3.851) 8.942 4.538 ( -4.731 -7.124 1.195) 8.635 4.602 ( -5.014 3.651 0.898) 6.267 4.811 ( -0.448 1.459 -0.820) 1.732 4.972 ( -0.649 1.529 0.780) 1.835 5.095 ( -2.135 -2.061 0.254) 2.978 5.110 ( -2.609 -0.959 0.775) 2.886 5.187 ( -5.218 1.433 -3.118) 6.245 5.355 ( 2.031 -2.748 0.689) 3.486 5.427 ( -1.295 0.572 1.389) 1.983 5.494 ( 4.496 0.723 2.527) 5.208 5.567 ( -0.494 5.282 -0.960) 5.391 5.653 ( 3.133 2.547 0.471) 4.065 5.909 ( 0.442 -5.942 -1.979) 6.278 6.173 ( 1.704 -7.386 2.714) 8.051 6.528 ( -4.672 1.983 -1.003) 5.173 6.630 ( -1.281 -5.508 -1.469) 5.843 6.924 ( -2.815 -1.049 1.438) 3.331 7.015 ( -3.619 -5.340 2.016) 6.759 7.095 ( -4.260 4.489 -5.975) 8.602 7.508 ( -2.603 -7.589 2.100) 8.293 7.515 ( 0.902 2.622 1.844) 3.330 7.737 ( -4.506 -6.240 1.076) 7.771 7.782 ( -1.366 0.104 1.549) 2.068 7.811 ( -3.503 -7.913 -1.872) 8.854 8.130 ( -4.918 -7.652 3.162) 9.630 8.499 ( 0.731 10.391 0.729) 10.442 8.734 ( -0.485 6.818 0.299) 6.842 9.283 ( -3.012 -5.831 2.979) 7.208 9.617 ( -1.722 -11.992 -2.684) 12.409 13.465 ( -2.385 16.602 -2.513) 16.960 14.356 ( -15.386 45.583 -0.811) 48.117 14.848 ( -2.560 -16.205 0.944) 16.433 15.380 ( -1.833 2.899 -3.931) 5.216 17.133 ( 4.099 6.395 2.625) 8.037 17.302 ( 0.234 7.651 -4.206) 8.734 17.860 ( 2.288 2.279 1.495) 3.558 18.104 ( -0.074 -0.672 -9.213) 9.238 26.776 ( 0.644 1.733 0.226) 1.862 26.833 ( -0.001 2.663 -0.764) 2.770 26.956 ( -0.497 -1.744 0.203) 1.825 27.021 ( 0.527 -2.464 -0.516) 2.572 27.228 ( 0.052 1.386 0.788) 1.595 27.313 ( -0.445 -0.532 -0.234) 0.732 27.327 ( -0.768 1.581 -1.050) 2.048 27.363 ( -1.272 2.277 -0.558) 2.667 34.863 ( 6.068 47.877 0.528) 48.263 35.649 ( -28.839 100.329 -14.556) 105.401 38.031 ( -1.372 -2.898 3.456) 4.714 38.089 ( -4.032 -2.328 4.044) 6.167 38.149 ( -1.481 0.452 2.940) 3.323 38.289 ( -0.306 -1.134 -0.951) 1.511 39.614 ( -1.765 -2.307 1.327) 3.193 41.341 ( 3.092 -12.207 -10.033) 16.101 41.532 ( -1.818 1.302 -1.872) 2.916 41.650 ( -3.577 7.045 -3.776) 8.758 42.122 ( -6.600 -18.178 -7.283) 20.665 42.496 ( -14.670 -19.925 -35.982) 43.668 44.531 ( -2.657 1.459 -0.053) 3.032 44.638 ( -1.206 -3.381 -2.241) 4.232 44.732 ( -2.897 -0.941 0.912) 3.180 45.123 ( -11.781 -7.470 -9.396) 16.819 45.627 ( -0.592 2.812 -2.109) 3.565 45.734 ( -6.728 1.441 -2.729) 7.402 45.925 ( 0.323 -0.352 0.204) 0.520 45.944 ( 0.113 -1.016 -1.762) 2.037 54.003 ( 2.184 5.766 -9.229) 11.100 54.705 ( 8.955 -8.660 -14.672) 19.247 55.345 ( -17.231 28.400 16.338) 37.019 56.083 ( -6.838 5.782 1.523) 9.084 ======================= Grid point 80 (37/114) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 14.678 1.456 7.350) 16.480 1.710 ( 17.142 1.709 4.346) 17.767 2.036 ( 8.501 -2.152 3.459) 9.427 2.104 ( 4.300 3.528 -8.966) 10.551 2.161 ( 4.316 -1.493 -3.712) 5.886 2.347 ( -1.360 0.614 -0.404) 1.546 2.409 ( 1.292 -2.692 -5.974) 6.679 2.758 ( 4.879 -0.722 -3.822) 6.240 2.963 ( 4.865 4.060 1.723) 6.567 2.986 ( 20.048 6.381 6.119) 21.911 3.099 ( 4.016 3.656 2.280) 5.891 3.380 ( -4.557 -1.879 3.860) 6.261 3.773 ( -1.843 0.362 -4.476) 4.854 4.032 ( 2.247 2.133 -1.386) 3.395 4.182 ( -5.166 0.557 2.289) 5.677 4.454 ( -3.797 -5.729 1.399) 7.014 4.473 ( -7.141 4.779 1.514) 8.725 4.806 ( -0.075 -0.044 -2.366) 2.367 4.930 ( -4.855 0.609 2.055) 5.308 5.049 ( -1.969 3.992 0.078) 4.452 5.065 ( -1.091 0.156 -0.952) 1.456 5.116 ( -0.156 -1.127 -2.660) 2.893 5.351 ( -2.495 1.386 1.946) 3.454 5.445 ( 1.323 -1.423 0.667) 2.054 5.524 ( -2.508 6.404 0.770) 6.920 5.598 ( 4.627 1.754 3.062) 5.819 5.692 ( 0.843 1.583 -0.373) 1.832 5.884 ( -1.929 -1.569 -1.816) 3.079 6.214 ( 1.489 -9.611 0.512) 9.740 6.430 ( -4.921 -2.565 -0.522) 5.574 6.606 ( -0.283 -6.376 -3.290) 7.180 6.856 ( -3.957 1.525 1.388) 4.462 6.923 ( -5.626 1.802 -0.577) 5.936 7.013 ( -2.508 -4.075 -2.013) 5.191 7.435 ( -5.256 -9.785 2.011) 11.288 7.495 ( -5.662 -5.314 0.293) 7.770 7.571 ( -5.602 -0.569 -1.095) 5.737 7.763 ( -1.172 -2.429 -0.721) 2.791 7.786 ( -1.005 0.174 0.578) 1.173 8.039 ( -4.570 -7.903 1.742) 9.294 8.506 ( 0.160 13.277 -0.549) 13.289 8.710 ( -2.222 8.242 1.669) 8.698 9.231 ( -3.119 -4.910 3.854) 6.978 9.570 ( -1.945 -10.570 -2.435) 11.020 13.428 ( -0.724 14.166 -2.416) 14.389 14.123 ( -8.965 36.265 1.263) 37.378 14.781 ( -4.189 -14.239 3.336) 15.213 15.301 ( -4.566 -1.774 -3.909) 6.267 17.231 ( 4.699 4.897 2.006) 7.077 17.329 ( 2.870 6.394 -2.221) 7.352 17.889 ( -0.166 0.039 2.166) 2.172 18.061 ( -1.441 -1.658 -7.272) 7.597 26.792 ( 0.713 1.414 0.267) 1.606 26.834 ( 0.248 2.517 -0.376) 2.557 26.947 ( -0.457 -1.704 0.229) 1.780 27.025 ( 0.049 -2.230 -0.468) 2.280 27.231 ( -0.011 1.242 0.624) 1.390 27.301 ( -0.598 -0.436 -0.374) 0.830 27.308 ( -0.814 1.200 -0.792) 1.652 27.342 ( -0.767 1.222 0.052) 1.444 34.982 ( 5.363 47.998 -2.838) 48.380 35.325 ( -5.084 66.406 -0.572) 66.603 37.986 ( -4.789 -8.700 7.392) 12.380 38.039 ( -1.294 0.428 -0.867) 1.616 38.118 ( -2.460 -0.351 4.004) 4.712 38.282 ( 0.098 0.185 -2.120) 2.131 39.578 ( -3.178 -11.761 5.504) 13.368 41.283 ( -7.935 -25.905 -24.278) 36.379 41.490 ( -1.898 1.214 -2.579) 3.425 41.575 ( -3.041 0.121 -4.958) 5.818 41.830 ( -19.743 -26.483 -12.887) 35.457 42.042 ( -15.206 -9.109 -0.743) 17.741 44.478 ( -2.379 2.431 -0.046) 3.402 44.594 ( -2.570 -2.495 -2.383) 4.302 44.684 ( -2.255 -2.770 0.713) 3.642 44.843 ( -11.244 -4.099 -1.247) 12.033 45.592 ( -1.894 1.758 -2.038) 3.291 45.642 ( -2.305 2.182 0.282) 3.187 45.927 ( -0.331 -0.127 0.610) 0.705 45.954 ( 0.621 -0.687 -0.198) 0.947 54.056 ( 5.295 7.110 -7.849) 11.840 54.804 ( 2.913 -0.284 -12.680) 13.014 55.101 ( -10.565 14.384 20.102) 26.881 55.992 ( -3.584 1.150 -0.418) 3.787 ======================= Grid point 81 (38/114) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 7.903 -0.700 2.376) 8.282 2.005 ( 10.187 -0.540 1.208) 10.272 2.141 ( 1.095 2.669 -1.920) 3.465 2.149 ( 4.702 0.952 -3.276) 5.810 2.257 ( 2.884 -0.273 2.246) 3.665 2.353 ( 3.943 -2.483 -1.202) 4.813 2.388 ( -1.460 2.331 -2.827) 3.944 2.777 ( -3.927 -7.263 -3.482) 8.961 3.037 ( 3.434 3.471 0.367) 4.896 3.115 ( 5.313 8.881 -0.523) 10.362 3.293 ( -1.665 -1.324 7.919) 8.200 3.574 ( 22.821 -0.190 2.610) 22.971 3.768 ( 2.549 0.186 -1.373) 2.902 3.997 ( -4.603 -1.891 1.328) 5.151 4.158 ( 1.208 4.214 0.857) 4.466 4.318 ( -7.104 2.938 2.161) 7.986 4.431 ( 0.140 -0.036 0.163) 0.218 4.784 ( -1.704 -3.596 -1.364) 4.206 4.855 ( -1.475 2.561 -1.657) 3.388 4.978 ( -2.663 2.350 -1.889) 4.023 5.067 ( -1.433 -1.547 0.424) 2.151 5.135 ( 1.802 2.153 0.359) 2.830 5.312 ( -1.902 3.618 3.493) 5.377 5.410 ( -2.956 4.699 -2.478) 6.080 5.505 ( -0.544 4.503 1.969) 4.945 5.668 ( -1.069 1.966 1.915) 2.945 5.730 ( 5.120 -1.805 0.745) 5.479 5.838 ( -1.594 -0.592 -2.696) 3.187 6.230 ( 0.271 -6.373 -1.672) 6.594 6.322 ( -5.540 -6.102 -0.079) 8.242 6.603 ( 0.985 -7.963 -3.335) 8.690 6.782 ( -4.058 3.429 1.403) 5.495 6.814 ( -3.792 3.446 -1.469) 5.330 6.958 ( -3.151 -5.604 0.557) 6.453 7.300 ( -8.424 -9.096 -0.841) 12.426 7.320 ( -7.975 -9.190 0.956) 12.205 7.543 ( 0.676 2.527 -0.662) 2.698 7.731 ( -2.562 -2.834 1.362) 4.056 7.754 ( -1.676 -0.094 -0.585) 1.778 7.959 ( -3.606 -6.349 -0.195) 7.304 8.507 ( 0.241 14.152 -0.935) 14.185 8.658 ( -3.302 9.202 2.074) 9.994 9.182 ( -2.844 -4.684 4.109) 6.849 9.528 ( -1.423 -9.821 -2.282) 10.183 13.415 ( -0.007 12.997 -1.705) 13.108 13.973 ( -6.494 29.850 0.190) 30.549 14.711 ( -3.619 -12.078 4.305) 13.323 15.188 ( -5.127 -4.881 -3.336) 7.825 17.329 ( 4.296 3.574 1.648) 5.826 17.391 ( 3.763 4.789 -1.894) 6.378 17.866 ( -2.726 -0.519 2.825) 3.959 18.011 ( -1.391 -2.082 -5.578) 6.115 26.805 ( 0.497 1.138 0.232) 1.264 26.838 ( 0.208 2.421 -0.157) 2.435 26.940 ( -0.324 -1.623 0.305) 1.683 27.021 ( -0.216 -1.973 -0.447) 2.035 27.231 ( -0.080 1.017 0.423) 1.105 27.288 ( -0.555 -0.480 -0.306) 0.795 27.291 ( -0.609 0.995 -0.497) 1.268 27.330 ( -0.519 0.612 0.134) 0.814 35.053 ( 2.776 46.058 -2.764) 46.224 35.324 ( 2.610 47.576 1.301) 47.666 37.905 ( -4.818 -10.386 6.017) 12.934 38.007 ( -1.942 -1.268 -0.425) 2.358 38.083 ( -1.889 0.332 3.422) 3.923 38.283 ( 0.803 1.938 -2.862) 3.549 39.509 ( -5.429 -18.374 6.618) 20.270 40.731 ( -29.028 -52.988 -35.467) 70.059 41.449 ( -1.253 0.872 -0.547) 1.622 41.522 ( -0.961 -3.758 -0.322) 3.892 41.603 ( -4.349 -0.812 3.818) 5.844 41.829 ( -8.314 -5.144 2.570) 10.109 44.439 ( -1.436 2.440 -0.006) 2.831 44.525 ( -3.257 -0.425 -1.351) 3.552 44.643 ( -1.981 -2.656 0.851) 3.421 44.693 ( -4.214 -2.147 0.391) 4.746 45.553 ( -1.340 1.709 -1.151) 2.458 45.614 ( -0.953 1.057 0.479) 1.501 45.917 ( -0.751 0.161 0.519) 0.927 45.962 ( 0.147 -0.781 -0.048) 0.796 54.156 ( 6.249 8.167 -5.262) 11.551 54.704 ( -8.269 18.258 -1.062) 20.071 55.079 ( 1.769 -5.590 8.373) 10.221 55.919 ( -3.529 -3.383 -0.494) 4.913 ======================= Grid point 82 (39/114) ======================= q-point: ( 0.42 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 2.664 -0.564 -1.609) 3.163 2.129 ( -1.685 1.142 -0.819) 2.195 2.144 ( 5.220 -0.725 3.074) 6.102 2.251 ( 2.668 -0.289 -0.256) 2.695 2.291 ( 1.346 -0.493 0.522) 1.525 2.372 ( 1.612 1.709 1.569) 2.825 2.458 ( 4.330 -2.454 0.016) 4.977 2.582 ( -11.427 -4.091 -0.585) 12.151 3.086 ( 1.321 3.945 0.856) 4.248 3.267 ( 8.263 7.723 -3.361) 11.799 3.331 ( 2.081 -1.274 8.134) 8.492 3.814 ( 4.024 1.264 1.048) 4.347 3.915 ( -3.456 -0.415 2.230) 4.134 3.967 ( 11.498 -3.528 -1.329) 12.100 4.179 ( -0.144 0.005 2.654) 2.658 4.230 ( -0.650 5.228 -0.979) 5.358 4.434 ( -1.077 3.625 1.177) 3.961 4.745 ( -1.199 -3.852 -1.669) 4.366 4.855 ( 1.655 1.849 -1.977) 3.173 4.932 ( -1.506 2.860 -1.254) 3.467 5.030 ( -1.834 -1.750 0.646) 2.616 5.156 ( 0.090 0.686 1.621) 1.763 5.268 ( -3.115 3.046 3.039) 5.312 5.385 ( 0.531 4.303 -1.805) 4.696 5.497 ( -0.413 4.965 0.521) 5.009 5.626 ( -1.948 1.832 -2.132) 3.420 5.798 ( 0.560 -0.139 -3.868) 3.911 5.847 ( 3.133 -1.708 2.674) 4.459 6.201 ( -3.325 -2.352 -1.991) 4.534 6.242 ( -0.691 -8.534 -0.399) 8.571 6.623 ( 1.598 -10.043 -1.959) 10.356 6.701 ( -3.487 4.147 0.713) 5.465 6.776 ( -0.334 2.068 -0.613) 2.183 6.881 ( -4.661 -3.712 1.006) 6.043 7.153 ( -4.876 -6.836 -1.000) 8.456 7.183 ( -5.486 -9.251 1.090) 10.810 7.577 ( 2.678 0.786 -0.416) 2.822 7.675 ( -2.916 -1.828 1.200) 3.645 7.720 ( -1.669 -0.078 -0.401) 1.718 7.892 ( -2.777 -4.869 -1.059) 5.704 8.512 ( 0.461 13.652 -0.711) 13.678 8.596 ( -3.136 9.393 1.208) 9.976 9.142 ( -2.140 -5.043 3.834) 6.687 9.501 ( -0.580 -9.723 -2.319) 10.012 13.418 ( 0.732 13.207 -0.522) 13.238 13.856 ( -4.845 25.815 -1.994) 26.341 14.667 ( -1.928 -10.234 4.557) 11.368 15.092 ( -3.015 -6.310 -2.616) 7.467 17.401 ( 1.963 2.588 1.603) 3.623 17.469 ( 4.539 2.696 -2.599) 5.884 17.803 ( -4.241 0.262 3.207) 5.324 17.980 ( -0.050 -2.275 -3.735) 4.374 26.813 ( 0.209 1.013 0.207) 1.055 26.841 ( 0.101 2.295 -0.097) 2.299 26.936 ( -0.129 -1.540 0.413) 1.600 27.015 ( -0.221 -1.818 -0.481) 1.893 27.231 ( -0.075 0.839 0.306) 0.896 27.277 ( -0.354 0.287 -0.356) 0.578 27.282 ( -0.178 0.104 -0.040) 0.210 27.321 ( -0.373 0.342 -0.020) 0.506 35.089 ( 1.482 42.069 -0.958) 42.106 35.376 ( 1.723 39.630 -1.497) 39.695 37.833 ( -3.821 -11.708 4.385) 13.074 37.963 ( -2.021 -2.907 0.115) 3.542 38.065 ( -0.862 1.529 2.185) 2.803 38.300 ( 1.761 3.668 -2.844) 4.964 39.407 ( -5.910 -22.058 5.084) 23.395 40.181 ( -14.255 -52.121 -20.081) 57.646 41.432 ( -0.467 0.640 0.122) 0.802 41.517 ( 0.178 -3.266 0.107) 3.272 41.555 ( -1.899 0.578 2.506) 3.197 41.708 ( -4.277 -3.350 1.605) 5.665 44.419 ( -0.568 2.186 0.143) 2.263 44.471 ( -1.647 0.956 -0.490) 1.967 44.613 ( -1.172 -2.101 0.759) 2.523 44.640 ( -1.577 -2.391 0.156) 2.868 45.533 ( -0.359 1.563 -0.224) 1.619 45.601 ( -0.553 0.487 0.195) 0.762 45.904 ( -0.621 0.406 0.330) 0.812 45.961 ( -0.173 -0.825 -0.304) 0.896 54.264 ( 5.354 8.434 -2.602) 10.324 54.543 ( -6.908 20.455 0.376) 21.593 55.150 ( 2.734 -7.741 5.791) 10.046 55.851 ( -2.721 -6.144 -1.265) 6.838 ======================= Grid point 83 (40/114) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -2.931 -0.306 -1.392) 3.259 2.092 ( 2.142 0.518 -1.796) 2.843 2.189 ( -4.347 -1.091 1.086) 4.612 2.266 ( 1.814 -2.506 0.915) 3.226 2.348 ( 3.452 0.702 2.540) 4.343 2.387 ( -1.438 -1.618 3.018) 3.714 2.450 ( 0.552 0.199 1.388) 1.507 2.521 ( 0.907 -2.170 1.417) 2.745 3.106 ( 0.564 3.998 0.940) 4.145 3.350 ( -0.030 -0.964 3.546) 3.675 3.407 ( 2.734 6.171 1.079) 6.835 3.867 ( -1.171 0.480 1.308) 1.820 3.891 ( 1.769 1.263 3.554) 4.166 4.056 ( 0.384 -0.074 0.056) 0.395 4.196 ( -0.379 -1.545 -0.392) 1.638 4.260 ( 3.010 3.765 -1.780) 5.139 4.375 ( -4.735 4.710 1.960) 6.960 4.721 ( -1.101 -3.395 -2.787) 4.528 4.892 ( 1.401 1.038 -1.190) 2.111 4.924 ( 1.761 2.662 0.116) 3.194 5.016 ( 0.638 -0.397 1.476) 1.656 5.154 ( -0.738 1.747 1.742) 2.575 5.224 ( -2.202 0.872 1.036) 2.585 5.384 ( 0.085 -0.426 -1.887) 1.936 5.474 ( -1.677 4.027 -1.414) 4.586 5.607 ( 0.227 4.655 -2.227) 5.166 5.814 ( 2.553 0.557 -2.217) 3.427 5.879 ( -0.747 -1.102 0.183) 1.344 6.148 ( -1.251 -5.569 -0.139) 5.709 6.250 ( 1.187 -4.441 -1.519) 4.841 6.652 ( 1.330 -6.196 -0.547) 6.361 6.664 ( 0.382 -2.449 -0.193) 2.486 6.763 ( -2.229 -5.159 0.656) 5.658 6.816 ( 0.028 4.638 -0.134) 4.640 7.110 ( 0.105 -6.942 0.469) 6.958 7.125 ( 0.172 -7.421 0.065) 7.423 7.625 ( -0.014 -0.429 0.313) 0.531 7.645 ( 1.330 -2.228 0.760) 2.704 7.690 ( -0.522 2.017 -0.120) 2.087 7.846 ( -1.218 -4.305 -1.951) 4.881 8.523 ( 0.768 12.889 -0.001) 12.912 8.545 ( -1.702 9.569 -0.340) 9.725 9.122 ( -0.918 -5.570 3.457) 6.619 9.492 ( 0.360 -9.720 -2.361) 10.009 13.442 ( 1.545 13.823 1.083) 13.951 13.766 ( -2.942 23.539 -4.585) 24.161 14.664 ( 0.292 -8.453 4.743) 9.697 15.064 ( 1.089 -7.062 -1.973) 7.413 17.411 ( -1.240 2.336 0.466) 2.685 17.553 ( 4.228 0.129 -2.130) 4.736 17.723 ( -4.249 2.549 2.766) 5.675 17.994 ( 2.230 -2.532 -1.788) 3.818 26.815 ( 0.027 1.028 0.246) 1.057 26.842 ( -0.043 2.187 -0.148) 2.192 26.937 ( 0.073 -1.502 0.540) 1.598 27.011 ( -0.003 -1.805 -0.554) 1.888 27.231 ( -0.023 0.856 0.298) 0.907 27.273 ( 0.090 0.568 -0.353) 0.675 27.283 ( 0.223 -0.236 0.266) 0.420 27.315 ( -0.222 0.264 -0.252) 0.427 35.109 ( 0.720 41.486 0.098) 41.492 35.369 ( -1.713 35.899 -3.924) 36.154 37.780 ( -2.436 -12.635 2.742) 13.157 37.937 ( -0.334 -2.847 0.185) 2.872 38.060 ( -0.142 1.997 1.511) 2.509 38.333 ( 1.955 4.735 -1.796) 5.429 39.322 ( -3.140 -22.820 2.293) 23.149 40.086 ( 9.691 -51.653 -10.082) 53.513 41.429 ( 0.056 0.686 0.294) 0.749 41.516 ( -0.576 -2.219 -0.778) 2.421 41.544 ( 0.394 -0.305 3.254) 3.292 41.664 ( -0.510 -2.451 1.006) 2.698 44.416 ( 0.135 1.993 0.318) 2.022 44.453 ( -0.088 1.329 -0.371) 1.383 44.601 ( -0.138 -1.820 0.678) 1.947 44.625 ( 0.024 -2.520 0.135) 2.524 45.537 ( 0.725 1.330 0.575) 1.620 45.591 ( -0.388 0.494 -0.217) 0.665 45.897 ( -0.121 0.478 0.247) 0.551 45.955 ( -0.249 -0.781 -0.620) 1.028 54.350 ( 3.285 7.922 0.276) 8.580 54.434 ( -3.476 20.618 -1.918) 20.996 55.221 ( 2.394 -7.447 7.118) 10.577 55.812 ( -0.313 -6.791 -2.301) 7.177 ======================= Grid point 84 (41/114) ======================= q-point: (-0.42 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -6.637 -0.321 -2.843) 7.228 2.093 ( -2.880 -2.849 0.357) 4.066 2.171 ( 3.373 2.730 -0.098) 4.341 2.278 ( -5.437 0.339 1.627) 5.685 2.327 ( -1.476 -1.169 1.254) 2.262 2.417 ( 3.234 0.974 2.260) 4.064 2.501 ( -0.416 -2.927 0.697) 3.037 2.562 ( 5.750 -2.354 -0.465) 6.231 3.107 ( -1.581 2.526 1.287) 3.246 3.311 ( -5.460 -0.074 3.553) 6.515 3.409 ( -2.320 5.453 5.539) 8.111 3.812 ( -6.379 -0.920 -2.367) 6.866 3.928 ( 0.298 1.053 5.532) 5.639 4.066 ( 0.192 1.325 3.441) 3.692 4.123 ( -4.368 -2.815 -0.070) 5.197 4.284 ( -2.699 8.502 0.716) 8.949 4.331 ( 3.432 1.872 -2.484) 4.632 4.683 ( -1.098 -4.331 -2.748) 5.245 4.921 ( 1.387 2.357 -0.910) 2.883 4.956 ( 1.585 2.910 -0.288) 3.327 5.083 ( 3.545 1.656 1.043) 4.049 5.142 ( -0.008 0.906 2.031) 2.223 5.187 ( -0.985 1.481 1.738) 2.487 5.373 ( -0.326 -3.814 -4.704) 6.065 5.459 ( 1.076 7.744 -0.862) 7.866 5.591 ( -1.335 5.474 -0.321) 5.644 5.810 ( -3.261 -1.298 -1.477) 3.808 5.910 ( 3.743 -2.974 0.798) 4.847 6.133 ( 0.470 -5.110 -2.726) 5.811 6.274 ( 1.355 -4.166 -0.168) 4.384 6.680 ( 2.327 2.621 -1.120) 3.679 6.710 ( 1.911 -9.143 1.525) 9.464 6.739 ( 1.881 -6.300 -1.440) 6.730 6.851 ( 2.617 3.621 0.164) 4.471 7.134 ( 2.586 -7.539 -0.778) 8.008 7.201 ( 6.187 -6.974 0.756) 9.354 7.626 ( 0.224 -0.472 0.869) 1.014 7.650 ( -0.127 -1.208 1.054) 1.608 7.735 ( 3.608 -0.277 0.323) 3.633 7.828 ( 0.091 -3.444 -3.617) 4.995 8.525 ( 0.547 9.814 -1.455) 9.936 8.550 ( 1.182 12.999 1.017) 13.092 9.129 ( 0.705 -5.881 3.326) 6.793 9.503 ( 1.508 -9.451 -2.162) 9.812 13.484 ( 1.898 14.461 2.666) 14.826 13.714 ( -0.455 22.694 -6.932) 23.734 14.706 ( 2.351 -6.537 5.004) 8.562 15.127 ( 5.562 -7.908 -1.398) 9.769 17.359 ( -3.673 2.999 -0.365) 4.756 17.594 ( -1.675 -1.130 2.687) 3.362 17.681 ( 1.387 4.646 -2.247) 5.344 18.054 ( 3.819 -2.785 -0.538) 4.757 26.815 ( -0.215 1.124 0.296) 1.182 26.840 ( -0.054 2.203 -0.172) 2.211 26.942 ( 0.220 -1.545 0.646) 1.689 27.012 ( 0.279 -1.933 -0.631) 2.052 27.231 ( -0.079 1.018 0.305) 1.066 27.279 ( 0.622 0.682 -0.336) 0.982 27.292 ( 0.552 -0.313 0.464) 0.786 27.311 ( 0.015 0.338 -0.471) 0.580 35.125 ( 0.976 46.503 0.921) 46.523 35.287 ( -4.854 34.763 -4.919) 35.443 37.752 ( -0.854 -13.062 1.302) 13.155 37.950 ( 1.460 -1.431 0.143) 2.050 38.070 ( 0.704 1.873 1.463) 2.479 38.363 ( 1.257 4.155 0.011) 4.341 39.301 ( 0.684 -20.416 -0.600) 20.436 40.493 ( 31.642 -54.799 -8.798) 63.887 41.436 ( 0.665 0.809 0.150) 1.058 41.499 ( -0.615 -1.038 -0.701) 1.396 41.592 ( 3.671 -2.278 4.980) 6.593 41.692 ( 3.071 -2.400 0.711) 3.962 44.426 ( 0.728 1.971 0.427) 2.144 44.464 ( 1.398 1.181 -0.774) 1.987 44.611 ( 0.847 -1.842 0.706) 2.147 44.641 ( 1.557 -2.603 0.212) 3.040 45.564 ( 1.624 1.031 1.052) 2.192 45.584 ( -0.122 1.057 -0.636) 1.240 45.900 ( 0.381 0.355 0.296) 0.599 45.949 ( -0.105 -0.679 -0.728) 1.001 54.358 ( -1.455 14.850 -2.754) 15.173 54.427 ( 2.084 12.351 0.782) 12.550 55.292 ( 2.300 -6.665 9.721) 12.009 55.839 ( 4.062 -5.417 -2.200) 7.119 ======================= Grid point 85 (42/114) ======================= q-point: (-0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -11.755 0.858 -3.527) 12.303 1.980 ( -13.397 1.166 0.592) 13.460 2.114 ( -2.617 -1.090 0.336) 2.855 2.251 ( 0.835 1.876 0.392) 2.091 2.314 ( -0.537 -1.827 0.841) 2.081 2.449 ( -1.858 -3.481 2.664) 4.760 2.545 ( 5.468 1.917 0.942) 5.870 2.674 ( 6.259 -2.715 -7.121) 9.862 3.029 ( -5.873 2.181 1.312) 6.401 3.123 ( -12.591 4.007 2.635) 13.473 3.421 ( 0.314 -0.182 8.700) 8.708 3.484 ( -24.099 1.080 -1.021) 24.145 3.932 ( -1.055 0.155 4.652) 4.772 4.086 ( 0.499 -0.040 -0.108) 0.512 4.127 ( 3.303 3.357 5.722) 7.411 4.280 ( 3.195 5.298 -0.583) 6.214 4.395 ( 2.888 0.364 -1.431) 3.243 4.694 ( 3.544 -5.941 -3.660) 7.826 4.913 ( -1.909 2.250 2.228) 3.697 5.019 ( 4.267 4.694 -2.983) 7.010 5.070 ( -0.881 0.690 -2.480) 2.721 5.173 ( -0.370 2.470 2.491) 3.527 5.247 ( 4.481 0.695 3.753) 5.886 5.362 ( 1.251 -0.062 -4.033) 4.223 5.501 ( 2.554 6.710 0.147) 7.181 5.565 ( -1.147 5.177 0.684) 5.346 5.731 ( -3.809 -0.336 -1.351) 4.055 5.938 ( -1.189 -4.409 1.916) 4.952 6.174 ( 3.548 -9.783 -3.829) 11.089 6.311 ( 3.127 -2.468 -0.199) 3.989 6.716 ( 1.606 4.308 -0.287) 4.606 6.764 ( 4.170 -6.982 -2.556) 8.524 6.803 ( 2.167 -10.134 2.426) 10.644 6.930 ( 5.828 3.770 -0.976) 7.009 7.203 ( 4.313 -6.036 -2.159) 7.726 7.349 ( 7.499 -7.935 0.365) 10.924 7.627 ( -0.290 0.015 3.042) 3.056 7.673 ( 1.698 -3.140 -0.559) 3.613 7.803 ( 1.071 -1.386 -1.411) 2.249 7.831 ( 3.242 -2.013 -2.608) 4.622 8.556 ( 2.784 10.085 -1.908) 10.635 8.576 ( 0.853 13.293 2.057) 13.478 9.170 ( 2.259 -6.046 3.487) 7.336 9.540 ( 2.696 -9.232 -1.727) 9.772 13.533 ( 1.990 15.710 3.841) 16.295 13.707 ( 2.079 23.105 -8.781) 24.804 14.787 ( 4.086 -4.501 5.241) 8.026 15.272 ( 8.859 -8.701 -0.485) 12.427 17.271 ( -4.730 4.231 -0.571) 6.372 17.540 ( -3.491 3.536 4.601) 6.772 17.725 ( 2.760 1.958 -4.481) 5.615 18.135 ( 4.045 -2.768 -0.385) 4.916 26.808 ( -0.550 1.334 0.324) 1.479 26.839 ( 0.055 2.334 -0.137) 2.338 26.949 ( 0.272 -1.686 0.681) 1.839 27.018 ( 0.434 -2.173 -0.654) 2.310 27.229 ( -0.189 1.138 0.310) 1.194 27.296 ( 1.035 0.877 -0.335) 1.398 27.305 ( 0.391 -0.461 0.244) 0.652 27.315 ( 0.680 0.848 -0.331) 1.137 35.151 ( -6.477 34.481 -2.806) 35.196 35.173 ( 3.573 60.200 -0.190) 60.306 37.753 ( 0.728 -12.854 0.286) 12.878 37.991 ( 2.411 0.275 0.050) 2.427 38.097 ( 1.479 1.392 2.149) 2.957 38.383 ( 0.539 2.475 1.597) 2.994 39.337 ( 3.077 -16.616 -2.684) 17.110 41.115 ( 23.768 -39.907 -15.332) 48.914 41.458 ( 1.370 0.810 -0.928) 1.842 41.498 ( 1.220 -0.291 -1.156) 1.705 41.776 ( 7.976 -4.297 0.365) 9.067 41.869 ( 26.045 -21.284 8.604) 34.719 44.447 ( 1.229 1.958 0.384) 2.344 44.510 ( 3.780 0.041 -2.068) 4.309 44.638 ( 1.477 -2.188 0.904) 2.790 44.690 ( 3.261 -2.508 0.260) 4.123 45.581 ( 0.301 2.016 -1.178) 2.355 45.610 ( 2.316 0.825 1.157) 2.717 45.911 ( 0.531 0.148 0.331) 0.643 45.949 ( 0.361 -0.679 -0.342) 0.842 54.330 ( 0.060 14.458 -5.448) 15.451 54.460 ( 0.405 9.650 1.270) 9.741 55.381 ( 3.275 -3.662 13.377) 14.250 55.981 ( 10.767 -3.042 1.070) 11.240 ======================= Grid point 86 (43/114) ======================= q-point: (-0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -17.770 3.578 -1.883) 18.224 1.650 ( -17.925 7.927 0.942) 19.622 1.998 ( -9.308 -3.005 2.486) 10.092 2.249 ( -6.878 -1.477 0.480) 7.051 2.300 ( 2.286 -5.999 -1.028) 6.502 2.423 ( -2.415 -4.118 4.409) 6.499 2.621 ( 3.220 3.774 -5.701) 7.557 2.786 ( 1.830 -0.250 -5.656) 5.950 2.855 ( -21.732 5.487 1.979) 22.501 2.923 ( -8.061 5.869 4.658) 11.005 2.960 ( -8.294 4.601 0.160) 9.486 3.442 ( -1.430 -3.368 5.066) 6.249 3.911 ( -1.911 0.893 -0.339) 2.136 4.079 ( -0.356 5.571 -0.879) 5.652 4.241 ( 5.116 -0.978 7.466) 9.103 4.391 ( 6.320 1.439 0.037) 6.482 4.455 ( 4.614 -2.377 -0.824) 5.255 4.795 ( 6.766 -7.466 -3.671) 10.724 4.868 ( -2.753 2.949 1.453) 4.288 5.074 ( 2.408 1.227 0.690) 2.790 5.090 ( 1.921 1.875 -2.962) 3.998 5.183 ( 1.612 3.446 1.506) 4.091 5.297 ( 1.002 2.387 -1.801) 3.154 5.413 ( 2.541 0.781 2.815) 3.872 5.517 ( -2.130 2.767 -0.517) 3.530 5.562 ( 0.517 3.830 1.745) 4.240 5.662 ( -1.850 2.053 -1.109) 2.978 5.914 ( -0.802 -1.886 -0.530) 2.117 6.205 ( 0.210 -13.052 0.165) 13.055 6.417 ( 6.989 -2.564 -1.231) 7.545 6.756 ( 2.465 2.962 -0.678) 3.913 6.824 ( -0.425 -9.556 3.174) 10.078 6.844 ( 4.303 -6.141 -2.974) 8.067 7.070 ( 7.535 2.806 -1.535) 8.186 7.282 ( 3.992 -3.944 -2.227) 6.037 7.464 ( 3.097 -5.160 -0.603) 6.049 7.647 ( 1.400 -1.644 1.668) 2.728 7.697 ( 0.803 -4.340 -0.594) 4.453 7.786 ( -0.423 -0.084 -3.646) 3.672 7.942 ( 6.925 -2.162 1.154) 7.346 8.584 ( -0.565 13.802 3.208) 14.182 8.619 ( 3.294 8.867 -2.614) 9.813 9.236 ( 3.060 -6.468 3.635) 8.026 9.596 ( 3.042 -9.696 -1.435) 10.263 13.589 ( 2.145 16.217 5.347) 17.210 13.746 ( 5.048 26.720 -11.230) 29.421 14.902 ( 5.799 -2.083 5.196) 8.060 15.470 ( 10.219 -9.360 1.106) 13.902 17.173 ( -4.652 5.675 -0.291) 7.344 17.499 ( -1.798 5.876 5.076) 7.970 17.748 ( 0.833 2.897 -5.281) 6.081 18.207 ( 3.134 -2.453 -1.530) 4.264 26.796 ( -0.708 1.589 0.368) 1.778 26.840 ( 0.103 2.654 -0.175) 2.662 26.957 ( 0.238 -1.899 0.616) 2.011 27.024 ( 0.329 -2.508 -0.603) 2.600 27.225 ( -0.222 1.189 0.377) 1.267 27.310 ( 0.260 -0.548 -0.168) 0.629 27.317 ( 1.132 1.266 -0.451) 1.757 27.336 ( 1.292 1.605 -0.060) 2.062 34.995 ( -7.297 37.286 -2.840) 38.099 35.338 ( 13.983 83.349 0.405) 84.515 37.782 ( 2.073 -11.771 -0.171) 11.953 38.043 ( 2.628 1.580 -0.037) 3.066 38.139 ( 1.674 0.886 3.348) 3.846 38.395 ( -0.023 0.685 2.565) 2.655 39.397 ( 3.602 -12.561 -4.269) 13.747 41.281 ( 2.268 -14.258 -10.759) 18.005 41.479 ( 1.248 1.360 -1.145) 2.172 41.537 ( 2.433 0.230 -2.162) 3.263 41.940 ( 9.219 -3.303 -0.734) 9.821 42.727 ( 47.200 -47.103 -4.970) 66.868 44.477 ( 1.711 1.577 0.058) 2.327 44.602 ( 5.369 -2.990 -4.077) 7.375 44.674 ( 1.828 -3.262 1.233) 3.938 44.798 ( 9.144 -2.884 -2.108) 9.817 45.588 ( 0.862 3.340 -2.239) 4.112 45.667 ( 3.109 0.575 0.810) 3.264 45.920 ( 0.200 -0.048 0.150) 0.255 45.969 ( 1.932 -1.451 0.672) 2.507 54.328 ( 1.450 11.769 -6.435) 13.491 54.440 ( -2.242 7.503 -2.745) 8.298 55.508 ( 4.622 4.326 16.363) 17.545 56.313 ( 21.466 -2.793 9.681) 23.713 ======================= Grid point 87 (44/114) ======================= q-point: (-0.17 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -18.357 8.923 3.838) 20.768 1.286 ( -18.183 14.529 3.433) 23.526 1.810 ( -9.685 -4.148 7.012) 12.656 2.007 ( -20.939 5.195 2.800) 21.754 2.160 ( -20.440 3.690 5.328) 21.443 2.319 ( -4.993 -4.708 -3.020) 7.498 2.459 ( -3.817 -0.759 1.100) 4.044 2.637 ( -7.628 1.024 -2.002) 7.953 2.678 ( 1.442 1.139 -1.601) 2.438 2.943 ( 3.340 3.238 2.743) 5.400 3.066 ( 10.447 1.836 -5.626) 12.007 3.397 ( -3.150 -2.911 -1.795) 4.649 3.859 ( -2.282 4.381 -3.568) 6.094 4.071 ( -0.060 6.453 -1.757) 6.689 4.354 ( 3.573 -1.558 6.943) 7.963 4.507 ( 5.822 -7.892 1.671) 9.948 4.598 ( 8.520 0.552 -1.112) 8.610 4.810 ( -2.696 3.290 0.879) 4.343 4.914 ( 4.463 -9.065 -3.563) 10.714 5.081 ( -1.735 -2.869 1.801) 3.806 5.155 ( 4.757 3.516 -0.728) 5.959 5.250 ( 4.021 3.122 -0.143) 5.093 5.314 ( 1.017 3.660 -0.189) 3.803 5.409 ( -4.115 -2.568 -0.924) 4.938 5.463 ( -1.555 0.568 2.785) 3.240 5.555 ( -1.216 3.550 -0.431) 3.777 5.653 ( -0.416 3.672 0.719) 3.765 5.907 ( 0.331 -2.221 -3.056) 3.792 6.198 ( -1.426 -10.424 4.405) 11.406 6.559 ( 6.979 -2.671 -2.188) 7.786 6.799 ( -0.233 -7.096 4.756) 8.546 6.827 ( 2.528 -0.294 -2.189) 3.357 6.922 ( 3.904 -4.895 -1.182) 6.372 7.196 ( 5.117 2.023 -2.198) 5.925 7.345 ( 2.605 -2.203 -0.933) 3.537 7.483 ( -0.298 -0.024 0.461) 0.550 7.645 ( -1.532 0.634 -3.142) 3.553 7.705 ( -0.584 -5.954 -0.080) 5.983 7.799 ( 2.592 0.127 -0.244) 2.606 8.102 ( 7.705 -4.563 1.934) 9.161 8.566 ( -2.167 13.483 3.564) 14.114 8.668 ( 2.339 7.214 -2.882) 8.113 9.306 ( 2.540 -7.296 3.365) 8.426 9.645 ( 2.104 -10.954 -1.707) 11.284 13.635 ( 0.487 14.519 5.162) 15.417 13.879 ( 12.701 33.459 -13.207) 38.148 15.050 ( 7.191 1.097 4.553) 8.581 15.674 ( 8.816 -10.908 2.467) 14.241 17.088 ( -3.551 7.022 0.344) 7.877 17.509 ( 1.465 5.447 4.944) 7.501 17.731 ( -0.390 8.066 -5.934) 10.021 18.241 ( 0.828 -1.640 -4.828) 5.165 26.783 ( -0.663 1.847 0.361) 1.996 26.844 ( 0.366 3.104 -0.419) 3.154 26.962 ( 0.141 -2.120 0.471) 2.177 27.025 ( -0.120 -2.866 -0.505) 2.912 27.223 ( -0.186 1.209 0.509) 1.325 27.315 ( 0.263 -0.720 -0.161) 0.783 27.336 ( 0.911 1.683 -0.660) 2.025 27.367 ( 1.944 2.698 -0.528) 3.367 34.850 ( -6.249 40.361 -0.851) 40.851 35.862 ( 43.481 123.197 -6.897) 130.827 37.832 ( 2.795 -9.725 -0.233) 10.121 38.095 ( 2.533 2.503 -0.133) 3.564 38.179 ( 1.043 0.646 4.476) 4.641 38.401 ( -0.036 -0.605 2.922) 2.984 39.445 ( 2.567 -8.516 -7.321) 11.520 41.242 ( -2.476 -9.019 -12.140) 15.325 41.508 ( 2.115 2.661 -1.571) 3.745 41.574 ( 1.773 1.097 -1.884) 2.810 42.136 ( 9.929 -3.212 -1.196) 10.504 43.453 ( 24.334 -35.714 -17.010) 46.444 44.514 ( 1.884 0.416 -0.687) 2.048 44.666 ( 2.066 -2.687 -2.801) 4.397 44.716 ( 1.771 -3.994 0.993) 4.480 45.063 ( 16.363 -6.606 -14.591) 22.897 45.593 ( 0.254 4.479 -4.773) 6.550 45.749 ( 4.874 -0.155 -0.227) 4.882 45.919 ( -0.301 -0.175 -0.217) 0.411 46.056 ( 7.467 -5.957 -1.117) 9.617 54.322 ( -3.535 3.231 2.721) 5.508 54.386 ( 2.341 11.438 -18.012) 21.465 55.647 ( 4.132 16.553 14.360) 22.300 56.936 ( 35.570 -8.645 19.696) 41.568 ======================= Grid point 88 (45/114) ======================= q-point: (-0.08 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -9.529 15.676 14.602) 23.447 0.979 ( -12.075 23.067 8.826) 27.491 1.431 ( -29.831 21.326 13.167) 38.962 1.676 ( -6.292 -5.039 13.312) 15.562 1.910 ( -8.345 0.746 4.293) 9.414 2.233 ( -2.322 -4.149 -7.813) 9.146 2.395 ( -3.453 1.841 -6.341) 7.452 2.515 ( -3.025 -4.341 -0.152) 5.293 2.683 ( -1.637 -0.754 5.520) 5.807 3.041 ( 4.663 -5.238 -1.448) 7.161 3.243 ( 8.081 3.196 -6.053) 10.590 3.325 ( -1.734 0.184 -8.232) 8.415 3.815 ( -0.649 6.982 -3.734) 7.944 4.074 ( 1.506 8.194 -5.524) 9.997 4.446 ( 4.472 -2.479 7.597) 9.158 4.619 ( 3.220 -9.686 2.684) 10.554 4.754 ( 2.324 -0.430 -1.829) 2.989 4.773 ( 3.667 0.759 0.761) 3.822 4.934 ( -1.466 -9.097 -3.458) 9.842 5.039 ( -3.236 -4.592 2.965) 6.352 5.204 ( -1.211 0.904 -3.241) 3.576 5.288 ( -1.302 0.336 -1.391) 1.935 5.321 ( 0.630 1.343 0.716) 1.647 5.382 ( 2.556 0.432 0.448) 2.631 5.450 ( 0.404 2.578 1.352) 2.939 5.519 ( -1.892 3.889 -0.674) 4.377 5.609 ( -4.374 2.280 2.253) 5.423 5.894 ( -0.772 -5.433 -2.736) 6.132 6.178 ( -2.313 -2.760 8.159) 8.918 6.655 ( 2.882 1.324 -4.350) 5.383 6.788 ( -1.142 -6.087 1.345) 6.337 6.909 ( 4.064 -1.982 0.613) 4.563 7.002 ( 4.348 -3.013 1.777) 5.580 7.258 ( 1.644 3.020 -2.779) 4.421 7.387 ( 1.788 -1.318 0.971) 2.425 7.493 ( 1.744 0.173 4.603) 4.925 7.592 ( -2.420 3.428 -1.525) 4.464 7.689 ( -0.429 -4.581 2.218) 5.107 7.860 ( 2.976 -1.097 -0.675) 3.242 8.224 ( 3.013 -7.728 2.102) 8.557 8.523 ( -2.873 13.101 2.818) 13.706 8.698 ( 1.559 5.697 -2.728) 6.506 9.351 ( 0.895 -8.085 2.665) 8.560 9.669 ( 0.902 -12.391 -2.355) 12.645 13.640 ( -1.125 15.038 3.304) 15.437 14.197 ( 22.596 29.871 -16.584) 40.962 15.207 ( 6.742 5.021 2.841) 8.873 15.790 ( -0.071 -13.555 0.125) 13.555 17.037 ( -1.695 8.096 1.013) 8.333 17.557 ( 0.463 -3.170 0.870) 3.319 17.763 ( 7.916 19.083 -5.770) 21.450 18.181 ( -5.515 2.009 -12.140) 13.484 26.772 ( -0.483 2.049 0.232) 2.118 26.855 ( 0.925 3.038 -1.221) 3.403 26.965 ( 0.076 -2.235 0.362) 2.266 27.014 ( -0.868 -2.759 -0.309) 2.909 27.221 ( -0.131 1.254 0.665) 1.426 27.319 ( 0.177 -0.890 -0.060) 0.909 27.349 ( 0.520 2.070 -0.916) 2.323 27.410 ( 2.406 3.008 -2.022) 4.350 34.747 ( -3.835 43.476 1.158) 43.661 37.257 ( 99.299 146.058 -36.092) 180.266 37.886 ( 2.520 -6.279 -1.117) 6.858 38.152 ( 4.205 6.210 -1.213) 7.597 38.203 ( -0.240 0.766 4.956) 5.021 38.447 ( 9.086 7.264 -1.967) 11.797 39.437 ( -0.298 -0.490 -19.696) 19.704 41.076 ( -11.368 -4.196 -20.581) 23.883 41.562 ( 4.430 6.491 -4.151) 8.887 41.596 ( 0.972 1.656 -1.387) 2.369 42.307 ( 6.694 -1.725 -3.175) 7.607 43.544 ( -11.261 -18.313 -37.073) 42.855 44.538 ( 0.533 -1.294 -1.135) 1.802 44.684 ( 0.632 -1.884 -2.062) 2.864 44.765 ( 4.043 2.484 0.830) 4.817 45.198 ( 0.530 7.408 -23.862) 24.991 45.567 ( -0.666 4.043 -3.715) 5.531 45.833 ( 3.032 0.055 -0.957) 3.180 45.909 ( -0.439 -0.167 -0.762) 0.895 46.191 ( 3.305 -8.417 -12.425) 15.367 54.225 ( -5.103 3.418 0.147) 6.144 54.417 ( 5.324 6.897 -20.978) 22.715 55.748 ( 2.655 28.475 5.612) 29.144 57.724 ( 28.467 -25.378 2.048) 38.192 ======================= Grid point 89 (46/114) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -0.691 15.600 18.488) 24.200 1.269 ( -7.381 19.283 10.735) 23.271 1.406 ( -1.692 -10.942 18.187) 21.292 1.620 ( -2.350 -11.082 5.231) 12.478 1.980 ( 2.486 24.692 6.681) 25.700 2.218 ( 0.866 6.026 -8.774) 10.680 2.306 ( -2.207 -5.263 -2.586) 6.266 2.376 ( 2.142 -6.358 -3.728) 7.675 2.655 ( -0.297 2.228 0.029) 2.247 2.833 ( 1.757 -13.476 -1.049) 13.630 3.368 ( 1.296 3.108 -8.321) 8.976 3.389 ( 2.474 1.110 -6.480) 7.025 4.017 ( 0.932 10.315 -5.456) 11.707 4.173 ( -1.156 -0.609 -9.009) 9.103 4.400 ( -1.888 -3.808 4.908) 6.493 4.452 ( 1.228 -7.888 4.111) 8.979 4.716 ( -3.261 2.916 -0.532) 4.407 4.803 ( -3.126 -4.331 0.531) 5.368 4.894 ( 5.719 -0.068 0.406) 5.734 4.909 ( 4.230 -1.620 0.856) 4.609 5.208 ( -1.461 2.486 -5.961) 6.622 5.245 ( -1.056 -0.746 -6.021) 6.158 5.386 ( 1.559 2.165 1.925) 3.290 5.424 ( 1.904 -1.545 1.375) 2.812 5.531 ( -2.079 3.677 3.711) 5.623 5.552 ( -2.146 1.727 1.810) 3.296 5.613 ( -0.312 3.047 2.756) 4.120 5.727 ( -1.226 -7.135 3.980) 8.261 6.305 ( -0.821 9.267 3.433) 9.916 6.523 ( -1.441 -10.337 2.559) 10.746 6.804 ( 0.008 3.373 -4.737) 5.815 6.877 ( 0.260 -3.737 -2.369) 4.433 7.109 ( 1.576 5.521 4.332) 7.192 7.251 ( 1.490 -5.684 0.364) 5.888 7.490 ( 2.086 3.792 1.449) 4.564 7.540 ( -1.826 0.591 3.927) 4.371 7.602 ( 0.959 2.261 -0.086) 2.458 7.663 ( 0.758 -2.338 1.792) 3.041 7.887 ( 0.180 1.711 -1.044) 2.012 8.018 ( -0.969 -9.892 -0.290) 9.944 8.834 ( -1.396 18.783 -0.878) 18.855 8.893 ( 0.901 11.391 -0.983) 11.469 9.131 ( -0.137 -12.019 0.708) 12.040 9.293 ( -0.777 -20.357 -1.915) 20.461 14.024 ( -1.320 20.553 4.576) 21.098 14.432 ( 3.127 -16.265 1.428) 16.625 15.483 ( 2.546 5.004 -2.928) 6.332 15.546 ( -4.960 -1.158 -3.265) 6.050 17.239 ( 0.069 10.037 0.474) 10.048 17.422 ( -0.982 -6.668 -1.360) 6.875 18.049 ( -1.337 5.111 -4.359) 6.849 18.121 ( -0.327 -0.476 -9.329) 9.347 26.824 ( -0.202 3.126 -0.055) 3.133 26.882 ( -0.505 -1.099 -1.234) 1.728 26.926 ( 0.354 -0.437 0.576) 0.805 26.954 ( -0.108 -1.964 -0.037) 1.967 27.257 ( 0.036 1.805 0.756) 1.957 27.294 ( 0.037 -1.563 0.515) 1.646 27.403 ( 0.008 2.298 -1.419) 2.700 27.440 ( 0.029 -0.972 -1.941) 2.171 35.976 ( 0.107 66.498 12.354) 67.636 37.302 ( -1.177 -50.033 14.148) 52.008 38.156 ( -1.204 2.412 2.004) 3.359 38.218 ( -0.982 -2.614 2.425) 3.698 38.300 ( -1.605 6.713 -0.700) 6.938 38.542 ( -3.469 -17.661 -3.141) 18.270 40.813 ( -6.565 8.512 -26.861) 28.932 40.843 ( 14.741 5.119 -22.823) 27.648 41.668 ( 0.217 4.562 -1.718) 4.879 41.790 ( 4.130 -6.241 -3.387) 8.214 42.783 ( 7.987 20.360 -43.138) 48.366 42.977 ( -15.446 1.287 -30.167) 33.915 44.553 ( 0.242 1.726 -0.622) 1.851 44.614 ( -0.252 -3.443 -1.531) 3.776 45.127 ( 1.771 10.112 -3.448) 10.830 45.277 ( 1.883 -1.766 -12.838) 13.095 45.738 ( 4.897 10.273 -14.390) 18.347 45.860 ( 2.483 -2.254 -3.469) 4.825 45.921 ( -1.434 3.707 -4.884) 6.297 46.035 ( -1.170 -5.256 -10.794) 12.062 54.257 ( -2.998 6.954 -5.787) 9.530 54.399 ( 0.275 -5.741 -11.430) 12.794 56.475 ( -2.569 29.708 -19.613) 35.691 57.044 ( -18.503 -23.199 -18.607) 35.025 ======================= Grid point 90 (47/114) ======================= q-point: ( 0.08 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 7.169 12.180 17.442) 22.449 1.252 ( 4.448 16.215 6.315) 17.961 1.512 ( 6.388 -8.075 15.788) 18.848 1.652 ( 4.629 -14.555 4.197) 15.839 2.129 ( 6.214 11.057 0.900) 12.716 2.213 ( 1.994 6.944 -0.451) 7.239 2.337 ( 6.724 1.382 -5.994) 9.113 2.430 ( 4.568 -2.484 -6.483) 8.311 2.690 ( 4.251 6.188 0.433) 7.520 2.914 ( 5.356 -10.410 1.225) 11.771 3.324 ( -3.432 4.085 -5.606) 7.739 3.380 ( -1.544 -1.681 -3.809) 4.441 3.999 ( -1.535 6.314 -6.283) 9.039 4.076 ( -4.379 0.246 -9.059) 10.065 4.351 ( -3.753 -0.038 4.589) 5.929 4.456 ( -2.094 -7.718 4.007) 8.945 4.690 ( 0.804 2.726 -1.305) 3.127 4.778 ( 1.161 -4.890 0.302) 5.035 4.999 ( 2.195 1.908 4.057) 4.992 5.036 ( 5.889 -1.381 2.307) 6.474 5.133 ( -3.626 1.203 -6.670) 7.687 5.190 ( -1.902 -3.385 -6.312) 7.410 5.401 ( -2.098 2.783 2.379) 4.220 5.433 ( -0.486 -0.636 2.209) 2.350 5.495 ( -1.222 3.845 2.954) 5.001 5.559 ( 2.644 -0.501 1.155) 2.929 5.643 ( 2.251 2.078 1.258) 3.311 5.716 ( -0.426 -5.855 1.909) 6.173 6.279 ( -2.506 8.974 2.718) 9.705 6.491 ( -2.271 -10.055 1.624) 10.435 6.742 ( -4.493 4.947 -3.499) 7.543 6.847 ( -2.171 -5.164 -2.048) 5.964 7.108 ( -2.719 6.022 4.779) 8.154 7.247 ( -1.513 -3.731 -1.812) 4.415 7.472 ( -5.170 1.361 2.922) 6.092 7.530 ( -0.031 -0.434 2.120) 2.164 7.629 ( 0.879 -0.451 1.344) 1.668 7.691 ( 0.987 -3.990 2.825) 4.987 7.868 ( -1.291 3.294 -1.310) 3.772 8.006 ( -0.529 -9.071 -0.758) 9.118 8.815 ( 0.097 19.087 -1.563) 19.151 8.910 ( 0.737 10.794 -0.020) 10.820 9.127 ( -0.639 -11.187 1.049) 11.255 9.278 ( -0.110 -20.138 -2.307) 20.270 13.991 ( -2.980 22.716 3.282) 23.145 14.460 ( -0.867 -20.363 3.458) 20.673 15.354 ( -12.023 11.157 -4.907) 17.120 15.466 ( -3.199 -0.555 -2.861) 4.327 17.252 ( 1.175 8.792 0.905) 8.916 17.393 ( -0.876 -3.720 -2.367) 4.495 17.987 ( -2.045 7.167 -4.733) 8.829 18.098 ( -0.213 -2.803 -7.902) 8.387 26.822 ( 0.063 2.921 -0.063) 2.923 26.871 ( -0.157 -0.583 -1.077) 1.235 26.929 ( -0.147 -0.449 0.423) 0.634 26.957 ( 0.384 -2.131 -0.134) 2.169 27.260 ( 0.019 1.770 0.809) 1.947 27.296 ( -0.078 -1.439 0.528) 1.535 27.390 ( -0.786 2.059 -1.454) 2.640 27.421 ( -1.235 -0.545 -1.776) 2.231 36.037 ( 1.927 65.431 14.200) 66.982 37.251 ( -7.974 -39.619 12.621) 42.339 38.128 ( -1.900 1.747 0.574) 2.644 38.177 ( -4.204 -1.803 1.144) 4.715 38.263 ( -1.876 5.887 -2.478) 6.657 38.378 ( -9.702 -2.390 -7.014) 12.208 40.418 ( -23.409 35.628 -31.765) 53.163 40.945 ( 2.009 -16.751 -22.610) 28.211 41.642 ( -2.132 4.927 -2.090) 5.761 41.808 ( -1.795 -10.884 -1.137) 11.090 42.314 ( -26.545 22.178 -32.335) 47.350 42.634 ( -17.088 -7.366 -26.939) 32.741 44.556 ( 0.127 0.858 -0.442) 0.974 44.601 ( -0.525 -2.821 -1.672) 3.321 44.978 ( -10.852 10.274 -1.782) 15.050 45.184 ( -8.508 -7.531 -7.618) 13.680 45.761 ( -0.469 7.596 -9.663) 12.300 45.855 ( -3.239 0.050 -2.520) 4.104 45.896 ( 1.629 -0.772 -0.958) 2.042 45.933 ( -3.694 -4.353 -6.608) 8.733 54.184 ( -1.243 8.830 -8.108) 12.052 54.389 ( 2.593 -9.766 -11.244) 15.117 56.267 ( -11.580 20.237 -17.310) 29.040 56.502 ( -24.022 -1.844 -6.473) 24.947 ======================= Grid point 91 (48/114) ======================= q-point: ( 0.17 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 13.121 7.645 2.717) 15.426 1.474 ( 11.420 6.039 11.200) 17.097 1.740 ( 11.680 -3.424 10.863) 16.314 1.831 ( 10.777 -10.402 5.341) 15.902 2.172 ( 1.582 4.546 -4.994) 6.936 2.260 ( 1.051 -3.350 -0.088) 3.512 2.488 ( 5.228 5.048 -11.945) 13.982 2.551 ( 10.647 -0.329 -6.676) 12.571 2.851 ( 11.423 11.868 3.789) 16.902 3.022 ( 4.252 -1.603 2.247) 5.070 3.214 ( -5.797 4.353 0.385) 7.260 3.329 ( -2.364 -6.241 1.405) 6.820 3.904 ( -4.368 4.122 -7.140) 9.330 4.001 ( -1.343 -3.628 -6.802) 7.825 4.292 ( -2.961 3.649 3.952) 6.140 4.406 ( -3.460 -5.739 2.975) 7.331 4.697 ( -1.892 4.802 0.547) 5.191 4.796 ( -0.863 -3.458 -1.323) 3.801 4.993 ( -1.276 2.199 1.608) 3.008 5.057 ( -1.415 -2.353 -1.220) 3.005 5.106 ( 0.121 1.190 2.200) 2.504 5.157 ( -1.694 -3.219 -2.063) 4.182 5.358 ( -0.586 2.355 0.059) 2.428 5.410 ( -1.103 -2.008 0.222) 2.302 5.537 ( 3.534 3.824 2.393) 5.730 5.646 ( 4.913 -2.727 0.285) 5.626 5.690 ( 1.692 1.213 -0.006) 2.082 5.726 ( 0.937 -3.860 1.291) 4.177 6.224 ( -3.549 8.525 2.000) 9.448 6.442 ( -2.826 -10.412 0.414) 10.797 6.625 ( -5.730 6.566 -2.181) 8.983 6.790 ( -2.696 -8.040 -1.434) 8.600 7.046 ( -4.235 6.179 3.247) 8.165 7.185 ( -3.603 -1.559 -3.961) 5.577 7.351 ( -7.406 -1.552 3.105) 8.179 7.469 ( -6.456 -7.830 0.358) 10.154 7.644 ( 0.027 2.331 2.481) 3.404 7.713 ( 0.203 -3.275 2.659) 4.223 7.842 ( -0.927 4.250 -1.573) 4.625 7.968 ( -3.087 -7.241 -0.329) 7.878 8.828 ( 1.312 17.805 -1.445) 17.912 8.919 ( -0.060 10.606 1.138) 10.667 9.111 ( -1.330 -9.680 1.941) 9.962 9.271 ( -0.037 -18.798 -2.190) 18.925 13.934 ( -3.097 24.186 1.288) 24.417 14.432 ( -2.571 -21.472 3.828) 21.962 15.070 ( -13.748 20.882 -4.043) 25.326 15.348 ( -7.363 -6.433 -2.555) 10.106 17.294 ( 2.617 7.172 1.102) 7.713 17.389 ( 1.180 -0.609 -1.992) 2.394 17.948 ( -1.010 5.518 -2.832) 6.284 18.058 ( -1.597 -3.887 -6.398) 7.654 26.826 ( 0.325 2.651 0.072) 2.671 26.870 ( 0.309 -0.278 -0.693) 0.808 26.925 ( -0.361 0.096 0.267) 0.459 26.964 ( 0.352 -2.581 -0.199) 2.612 27.262 ( -0.085 1.629 0.666) 1.762 27.293 ( -0.277 -1.224 0.322) 1.296 27.365 ( -1.197 1.643 -1.213) 2.367 27.386 ( -1.553 -0.115 -1.144) 1.932 36.134 ( 3.235 62.749 13.745) 64.318 37.064 ( -12.447 -1.844 5.203) 13.616 37.977 ( -14.381 9.923 -3.354) 17.791 38.084 ( -2.608 0.187 -1.226) 2.888 38.187 ( -3.551 2.974 -0.866) 4.712 38.261 ( -0.823 -1.786 -2.776) 3.402 39.809 ( -24.535 29.492 -21.469) 43.961 40.741 ( -16.486 -44.649 -33.599) 58.260 41.577 ( -3.276 3.186 -2.177) 5.062 41.710 ( -7.474 -11.451 -5.871) 14.881 41.854 ( -12.647 11.745 -6.542) 18.458 42.144 ( -20.177 -14.520 -8.591) 26.301 44.552 ( -0.456 0.878 -0.267) 1.024 44.583 ( -0.735 -1.838 -1.564) 2.523 44.781 ( -7.888 5.533 0.527) 9.649 44.942 ( -11.893 -8.645 -2.357) 14.891 45.698 ( -2.818 3.198 -3.465) 5.493 45.744 ( -4.876 -0.794 -2.572) 5.570 45.917 ( 0.827 -0.220 -0.043) 0.857 45.923 ( 1.010 -0.774 -0.620) 1.416 54.184 ( 3.708 10.861 -8.013) 13.997 54.450 ( 6.348 -13.238 -9.302) 17.380 55.923 ( -17.604 20.190 -0.564) 26.793 56.150 ( -11.840 -1.867 -2.482) 12.240 ======================= Grid point 92 (49/114) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 12.002 2.184 2.600) 12.473 1.748 ( 12.961 1.099 3.213) 13.398 2.008 ( 10.759 0.103 7.382) 13.048 2.068 ( 9.601 -5.251 5.115) 12.079 2.190 ( 1.737 3.889 -4.931) 6.516 2.269 ( 0.528 -3.772 -2.014) 4.309 2.513 ( 1.174 7.413 -12.179) 14.305 2.669 ( 2.803 -6.518 -10.925) 13.027 3.080 ( 1.989 5.621 5.305) 7.981 3.154 ( 5.920 -0.194 5.413) 8.024 3.164 ( 9.373 8.694 3.827) 13.344 3.312 ( 0.549 -4.769 4.227) 6.396 3.822 ( -1.576 4.675 -5.112) 7.104 3.960 ( -1.102 -6.859 -4.001) 8.017 4.257 ( -1.554 4.461 1.793) 5.053 4.347 ( -2.743 -4.239 1.567) 5.286 4.602 ( -6.060 6.717 1.341) 9.145 4.738 ( -3.743 -5.433 -0.502) 6.616 4.968 ( -2.072 2.757 -1.190) 3.649 5.032 ( -2.316 -2.756 -3.177) 4.801 5.109 ( -0.598 2.116 3.345) 4.003 5.133 ( 1.628 0.600 2.414) 2.973 5.377 ( 1.447 1.587 -0.966) 2.355 5.417 ( 1.966 -1.612 0.014) 2.543 5.620 ( 3.386 3.429 1.659) 5.096 5.689 ( -0.261 4.949 0.864) 5.030 5.733 ( 1.102 0.053 -0.712) 1.314 5.760 ( 2.673 -8.008 0.486) 8.457 6.153 ( -3.651 6.481 1.520) 7.592 6.382 ( -3.023 -11.168 -0.722) 11.592 6.506 ( -5.489 7.309 -1.613) 9.282 6.734 ( -2.521 -10.956 -1.180) 11.304 6.968 ( -3.952 5.806 1.757) 7.240 7.084 ( -4.982 2.759 -4.540) 7.283 7.202 ( -7.890 -7.122 3.294) 11.128 7.303 ( -9.001 -9.057 -0.965) 12.805 7.636 ( -1.425 3.990 2.189) 4.769 7.710 ( -1.285 -2.718 2.623) 3.989 7.815 ( -1.395 2.404 -1.425) 3.123 7.897 ( -3.262 -5.326 -0.559) 6.271 8.847 ( 0.797 16.586 -1.201) 16.649 8.909 ( -1.542 10.963 1.978) 11.246 9.084 ( -2.103 -8.414 3.028) 9.186 9.259 ( -0.542 -17.381 -1.975) 17.501 13.881 ( -2.140 24.617 -0.133) 24.710 14.389 ( -2.531 -21.518 2.784) 21.845 14.799 ( -11.870 24.411 -1.971) 27.215 15.172 ( -8.861 -11.006 -2.134) 14.290 17.358 ( 3.216 5.747 0.937) 6.652 17.423 ( 2.345 0.797 -1.088) 2.705 17.918 ( -1.608 3.024 -1.196) 3.628 18.001 ( -2.170 -3.866 -4.917) 6.620 26.834 ( 0.388 2.377 0.185) 2.416 26.877 ( 0.468 -0.279 -0.312) 0.628 26.917 ( -0.425 0.687 0.159) 0.823 26.968 ( 0.115 -2.821 -0.228) 2.832 27.260 ( -0.238 1.383 0.374) 1.453 27.286 ( -0.490 -0.955 -0.009) 1.074 27.338 ( -1.140 1.313 -0.764) 1.900 27.355 ( -1.252 -0.147 -0.475) 1.347 36.236 ( 2.853 60.841 10.587) 61.821 36.819 ( -11.326 44.354 -1.682) 45.808 37.688 ( -12.971 -8.347 2.818) 15.680 37.998 ( -5.404 -7.446 -3.732) 9.929 38.140 ( -1.305 3.174 0.927) 3.555 38.258 ( 1.035 -4.218 -2.122) 4.834 39.358 ( -16.117 0.128 -8.682) 18.307 40.083 ( -33.596 -64.199 -35.467) 80.673 41.513 ( -2.342 1.043 -1.710) 3.082 41.541 ( -5.064 -1.771 -3.088) 6.190 41.701 ( -5.025 4.574 2.990) 7.424 41.851 ( -9.596 -8.659 1.605) 13.024 44.535 ( -1.162 2.168 -0.080) 2.461 44.561 ( -1.075 -0.630 -1.179) 1.716 44.659 ( -4.623 1.064 0.715) 4.797 44.736 ( -7.794 -5.163 0.040) 9.349 45.638 ( -2.347 2.045 -1.685) 3.540 45.664 ( -2.688 -0.216 -0.791) 2.810 45.927 ( 0.092 0.192 0.373) 0.430 45.937 ( 0.460 -0.747 0.039) 0.878 54.273 ( 6.650 12.696 -6.031) 15.549 54.574 ( 7.777 -14.468 -7.034) 17.869 55.598 ( -15.329 22.438 6.390) 27.915 55.932 ( -9.866 -8.324 -0.008) 12.908 ======================= Grid point 93 (50/114) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 7.961 1.513 1.824) 8.306 1.985 ( 9.024 -1.611 1.691) 9.322 2.157 ( 1.474 1.261 -3.740) 4.213 2.189 ( 3.307 0.015 2.311) 4.035 2.245 ( 2.689 0.357 1.086) 2.922 2.289 ( 3.519 -2.990 -0.671) 4.666 2.481 ( -1.307 5.940 -5.593) 8.262 2.623 ( -3.940 -7.022 -6.145) 10.129 3.133 ( 2.155 4.939 5.225) 7.505 3.226 ( 1.318 -2.942 8.656) 9.237 3.336 ( 7.055 9.219 -1.088) 11.659 3.518 ( 14.863 -6.153 1.105) 16.124 3.817 ( 1.920 4.856 -1.982) 5.585 3.930 ( -1.329 -4.553 -0.600) 4.781 4.238 ( -0.521 3.209 0.628) 3.311 4.309 ( -1.529 -3.116 0.772) 3.556 4.518 ( -1.947 6.985 1.097) 7.333 4.669 ( -2.715 -6.479 0.334) 7.033 4.923 ( -1.263 2.739 -2.987) 4.245 4.970 ( -1.815 -1.778 -4.508) 5.175 5.104 ( -1.442 3.743 3.385) 5.248 5.163 ( -0.323 -0.696 2.788) 2.891 5.406 ( 1.103 4.085 0.408) 4.251 5.456 ( 0.630 -0.337 -0.054) 0.716 5.649 ( -0.092 6.929 1.595) 7.111 5.716 ( 0.675 1.261 1.640) 2.177 5.723 ( 0.792 1.552 -1.908) 2.584 5.799 ( 0.907 -4.559 -0.926) 4.739 6.101 ( -1.590 1.809 0.913) 2.575 6.320 ( -2.836 -10.410 -1.153) 10.851 6.393 ( -4.979 5.459 -1.399) 7.520 6.673 ( -3.392 -13.413 -1.161) 13.884 6.901 ( -3.437 5.508 1.645) 6.698 6.971 ( -4.460 5.174 -2.756) 7.366 7.068 ( -5.815 -9.377 1.752) 11.172 7.127 ( -7.559 -8.005 -1.174) 11.072 7.612 ( -1.100 3.523 1.138) 3.862 7.679 ( -2.329 -2.505 2.118) 4.023 7.778 ( -1.676 2.066 -1.211) 2.923 7.843 ( -1.971 -4.215 -0.752) 4.713 8.847 ( -0.842 13.341 0.020) 13.367 8.871 ( -2.229 13.370 1.030) 13.593 9.045 ( -2.653 -7.566 3.572) 8.777 9.239 ( -0.857 -16.323 -1.776) 16.442 13.849 ( -0.947 24.215 -0.604) 24.241 14.348 ( -2.078 -20.513 -0.099) 20.618 14.587 ( -8.700 24.259 0.999) 25.791 14.995 ( -7.570 -13.619 -1.766) 15.681 17.423 ( 2.723 4.260 0.914) 5.138 17.468 ( 2.234 0.957 -0.791) 2.556 17.876 ( -2.234 2.025 -0.004) 3.016 17.946 ( -1.824 -3.740 -3.621) 5.516 26.842 ( 0.268 2.149 0.237) 2.179 26.886 ( 0.370 -0.562 -0.020) 0.673 26.909 ( -0.382 1.269 0.057) 1.326 26.968 ( -0.087 -2.852 -0.268) 2.866 27.255 ( -0.315 1.088 0.121) 1.139 27.275 ( -0.511 -0.742 -0.168) 0.916 27.316 ( -0.798 1.153 -0.342) 1.444 27.334 ( -0.810 -0.341 -0.105) 0.885 36.298 ( 0.682 61.047 4.900) 61.247 36.618 ( -7.643 64.105 -2.698) 64.615 37.481 ( -8.903 -28.893 6.090) 30.840 37.852 ( -7.003 -20.098 -6.059) 22.128 38.130 ( -0.222 4.576 1.692) 4.884 38.289 ( 2.630 -5.047 -1.862) 5.988 39.070 ( -11.666 -15.686 -3.007) 19.778 39.364 ( -25.976 -54.327 -21.060) 63.794 41.469 ( -1.437 0.822 -0.897) 1.883 41.484 ( -1.064 -0.752 -0.424) 1.370 41.626 ( -3.383 2.501 2.625) 4.959 41.710 ( -5.515 -5.145 2.156) 7.844 44.508 ( -1.424 3.531 0.074) 3.808 44.532 ( -1.420 0.983 -0.570) 1.818 44.592 ( -2.346 -1.798 0.436) 2.988 44.621 ( -3.896 -3.895 0.293) 5.517 45.595 ( -1.525 1.875 -0.766) 2.535 45.622 ( -1.495 -0.496 -0.207) 1.589 45.925 ( -0.352 0.578 0.317) 0.747 45.942 ( -0.018 -0.966 0.102) 0.972 54.397 ( 6.670 13.597 -3.786) 15.611 54.701 ( 6.288 -13.326 -5.713) 15.804 55.346 ( -11.421 22.943 7.675) 26.753 55.749 ( -8.116 -13.272 0.912) 15.583 ======================= Grid point 94 (51/114) ======================= q-point: ( 0.42 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 2.574 2.320 -0.015) 3.465 2.107 ( 2.169 -2.080 1.642) 3.424 2.152 ( 1.032 1.099 -1.336) 2.015 2.204 ( -0.731 -3.361 -1.274) 3.668 2.309 ( 2.711 2.091 0.985) 3.563 2.364 ( 1.371 -2.531 1.358) 3.183 2.449 ( 0.223 1.881 0.009) 1.894 2.503 ( -5.134 -3.020 -0.715) 5.999 3.181 ( 1.194 4.431 3.163) 5.574 3.267 ( 0.963 -3.466 5.812) 6.835 3.504 ( 8.430 12.685 -2.407) 15.419 3.783 ( 10.217 -12.013 -2.826) 16.021 3.869 ( 2.812 2.775 1.781) 4.333 3.908 ( -0.281 -0.748 3.064) 3.167 4.223 ( -2.184 3.936 2.297) 5.054 4.300 ( 0.820 -0.977 -0.407) 1.339 4.514 ( 0.246 4.758 0.671) 4.812 4.638 ( -0.392 -5.748 -0.269) 5.767 4.902 ( 0.006 2.049 -2.460) 3.202 4.939 ( -0.022 -1.456 -4.503) 4.733 5.080 ( -1.133 4.884 1.802) 5.328 5.152 ( -0.464 -1.452 1.454) 2.107 5.372 ( -4.455 4.974 1.227) 6.789 5.431 ( -3.323 -0.462 0.525) 3.396 5.653 ( -0.220 8.952 -0.098) 8.955 5.710 ( 1.046 4.895 -0.686) 5.052 5.787 ( 3.668 -2.461 0.478) 4.443 5.805 ( 0.337 -2.263 -1.220) 2.593 6.090 ( -0.013 -1.146 -0.124) 1.153 6.255 ( -2.831 0.718 -2.212) 3.664 6.316 ( -2.209 -7.895 0.336) 8.205 6.586 ( -4.689 -15.075 -1.013) 15.820 6.833 ( -3.284 6.121 1.558) 7.119 6.912 ( -0.848 3.894 -1.308) 4.194 6.981 ( -3.472 -7.950 1.179) 8.755 7.011 ( -2.958 -5.630 -1.120) 6.457 7.606 ( 0.170 1.745 0.612) 1.857 7.641 ( -1.633 -1.474 1.194) 2.503 7.747 ( -0.960 2.207 -0.850) 2.553 7.805 ( -1.577 -3.248 -0.838) 3.706 8.805 ( -2.954 9.428 1.836) 10.049 8.847 ( -0.313 16.307 -1.391) 16.370 9.001 ( -2.558 -7.221 3.281) 8.333 9.218 ( -0.581 -15.822 -1.650) 15.919 13.841 ( 0.255 23.290 -0.212) 23.293 14.289 ( -3.345 -10.212 -5.523) 12.082 14.473 ( -2.943 14.913 5.703) 16.235 14.868 ( -4.233 -14.898 -1.516) 15.562 17.467 ( 1.174 3.042 0.977) 3.404 17.506 ( 1.782 -0.030 -0.821) 1.962 17.833 ( -1.898 2.863 0.510) 3.472 17.912 ( -0.504 -3.869 -2.371) 4.566 26.847 ( 0.133 2.023 0.292) 2.048 26.892 ( 0.215 -1.135 0.204) 1.173 26.903 ( -0.258 1.908 -0.090) 1.927 26.964 ( -0.150 -2.783 -0.358) 2.810 27.250 ( -0.154 0.893 0.108) 0.913 27.267 ( -0.205 -0.657 -0.039) 0.689 27.303 ( -0.436 1.081 -0.180) 1.180 27.321 ( -0.472 -0.442 -0.108) 0.655 36.292 ( -1.387 61.599 -0.577) 61.617 36.492 ( -4.427 62.711 -2.682) 62.925 37.358 ( -5.044 -35.366 5.516) 36.147 37.715 ( -3.754 -30.491 -5.494) 31.208 38.135 ( 0.030 5.869 2.106) 6.236 38.361 ( 5.392 -5.201 -2.107) 7.782 38.810 ( -13.083 -26.166 -2.145) 29.333 38.993 ( -7.008 -34.959 -6.972) 36.330 41.450 ( -0.391 0.970 -0.160) 1.058 41.473 ( -0.067 -1.266 -0.219) 1.286 41.579 ( -1.979 1.734 2.258) 3.467 41.632 ( -2.790 -3.210 1.846) 4.636 44.484 ( -0.894 3.647 0.188) 3.760 44.505 ( -0.993 2.137 -0.142) 2.361 44.560 ( -0.981 -2.608 0.283) 2.801 44.570 ( -1.527 -3.824 0.183) 4.122 45.572 ( -0.593 1.768 -0.133) 1.869 45.600 ( -0.703 -0.700 -0.010) 0.992 45.917 ( -0.390 0.851 0.127) 0.945 45.939 ( -0.229 -1.104 -0.108) 1.133 54.507 ( 4.842 13.359 -1.806) 14.323 54.779 ( 2.784 -8.498 -5.728) 10.620 55.195 ( -5.492 19.758 8.128) 22.060 55.618 ( -4.898 -15.966 0.486) 16.707 ======================= Grid point 95 (52/114) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -2.799 1.134 -1.248) 3.268 2.097 ( -0.681 -0.957 -1.825) 2.170 2.162 ( -1.405 0.070 0.374) 1.455 2.205 ( 1.829 -3.019 0.070) 3.530 2.351 ( 2.870 -0.024 2.894) 4.076 2.359 ( -0.091 -0.770 3.161) 3.255 2.463 ( 0.044 0.751 1.035) 1.280 2.483 ( 0.303 -1.240 1.413) 1.905 3.199 ( -0.207 4.426 2.071) 4.891 3.290 ( -0.465 -3.880 4.297) 5.808 3.616 ( 2.600 12.136 -1.868) 12.551 3.849 ( -0.579 -5.331 -2.084) 5.754 3.929 ( 1.908 1.597 4.721) 5.336 3.987 ( 3.997 -6.777 2.627) 8.295 4.167 ( -3.486 6.106 2.359) 7.416 4.306 ( -0.497 -3.693 -0.665) 3.785 4.506 ( -1.328 6.464 0.294) 6.606 4.631 ( -0.759 -4.688 -1.196) 4.897 4.913 ( 1.640 1.411 -1.331) 2.540 4.941 ( 1.498 -0.967 -3.010) 3.498 5.095 ( 2.761 5.925 0.873) 6.595 5.172 ( 1.773 -0.946 0.990) 2.240 5.280 ( -4.008 3.532 -0.141) 5.344 5.342 ( -4.389 -2.300 -0.948) 5.045 5.646 ( -0.010 9.889 -0.598) 9.907 5.730 ( 0.133 6.200 0.067) 6.202 5.806 ( 0.148 -2.727 -0.399) 2.760 5.846 ( 1.164 -2.440 -0.358) 2.727 6.086 ( -0.099 0.749 -1.006) 1.258 6.226 ( 0.976 3.706 -2.336) 4.488 6.299 ( 0.132 -15.097 1.742) 15.198 6.508 ( -1.696 -14.401 -1.890) 14.623 6.795 ( -0.746 5.898 1.223) 6.070 6.913 ( 0.918 3.862 -0.437) 3.994 6.941 ( -0.401 -7.766 0.594) 7.799 6.995 ( 1.065 -4.235 -0.064) 4.368 7.617 ( 0.590 0.033 0.763) 0.965 7.623 ( -0.431 -0.360 0.785) 0.965 7.737 ( 0.218 2.047 -0.733) 2.185 7.779 ( -0.556 -2.149 -1.168) 2.509 8.759 ( -1.700 9.880 0.602) 10.044 8.847 ( 0.711 15.247 -1.074) 15.301 8.969 ( -1.363 -7.303 2.615) 7.876 9.211 ( 0.432 -15.596 -1.489) 15.673 13.855 ( 0.999 21.759 0.779) 21.795 14.194 ( -3.484 2.315 -7.055) 8.202 14.492 ( 2.385 4.164 6.184) 7.827 14.823 ( 0.296 -15.427 -1.490) 15.502 17.473 ( -0.737 3.104 0.431) 3.219 17.532 ( 0.797 -2.083 -0.224) 2.241 17.809 ( -0.393 5.052 0.247) 5.073 17.917 ( 1.512 -4.535 -1.147) 4.916 26.850 ( 0.061 2.013 0.386) 2.050 26.896 ( 0.131 -1.929 0.429) 1.980 26.898 ( -0.119 2.661 -0.291) 2.680 26.961 ( -0.062 -2.752 -0.480) 2.794 27.251 ( 0.137 0.917 0.252) 0.961 27.268 ( 0.254 -0.648 0.181) 0.719 27.297 ( -0.067 0.966 -0.211) 0.991 27.313 ( -0.182 -0.426 -0.287) 0.545 36.260 ( -1.550 55.195 -2.047) 55.254 36.415 ( -1.361 60.882 -5.074) 61.108 37.305 ( -1.703 -32.210 3.806) 32.479 37.694 ( 2.928 -29.610 -2.510) 29.860 38.142 ( 0.056 6.943 2.261) 7.302 38.494 ( 6.632 7.035 -3.276) 10.208 38.616 ( -3.769 -38.222 1.812) 38.450 38.940 ( 2.773 -34.164 -3.346) 34.439 41.448 ( 0.137 1.053 0.038) 1.062 41.474 ( 0.118 -1.450 -0.256) 1.477 41.563 ( -0.148 1.540 2.389) 2.846 41.607 ( -0.214 -2.497 1.684) 3.020 44.475 ( 0.004 3.415 0.255) 3.425 44.495 ( 0.002 2.459 -0.054) 2.459 44.551 ( -0.103 -2.860 0.293) 2.877 44.556 ( 0.058 -3.534 0.163) 3.538 45.570 ( 0.384 1.469 0.312) 1.550 45.592 ( -0.025 -0.509 -0.014) 0.510 45.912 ( -0.147 0.898 -0.015) 0.910 45.934 ( -0.192 -1.088 -0.337) 1.155 54.575 ( 1.980 12.093 -0.010) 12.254 54.778 ( -0.813 -0.270 -6.214) 6.273 55.178 ( 1.040 12.825 8.658) 15.508 55.564 ( -0.148 -16.394 -0.143) 16.395 ======================= Grid point 96 (53/114) ======================= q-point: (-0.42 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -5.656 2.102 -2.317) 6.464 2.026 ( -4.266 -3.282 -0.923) 5.461 2.214 ( 4.815 1.259 -0.289) 4.985 2.248 ( 1.078 -2.125 0.383) 2.414 2.342 ( -4.614 2.349 2.069) 5.576 2.402 ( -1.063 -2.491 2.217) 3.500 2.477 ( 2.289 0.713 0.757) 2.514 2.508 ( 4.900 -2.115 -0.061) 5.337 3.178 ( -2.849 3.990 2.802) 5.647 3.266 ( -3.517 -3.644 4.883) 7.035 3.583 ( -5.645 9.634 1.126) 11.223 3.765 ( -8.550 -5.550 -1.616) 10.321 3.966 ( 0.151 2.384 5.358) 5.866 4.023 ( 0.072 -3.639 5.170) 6.323 4.148 ( 1.854 5.674 -0.430) 5.984 4.293 ( -0.072 -5.801 -0.764) 5.852 4.470 ( -1.672 7.468 -1.021) 7.721 4.596 ( -1.835 -4.339 -1.881) 5.073 4.950 ( 1.866 1.804 0.194) 2.603 4.983 ( 3.051 -0.780 -1.783) 3.619 5.159 ( -0.950 3.822 -1.382) 4.173 5.195 ( 1.269 1.616 4.063) 4.553 5.241 ( 0.912 3.267 0.458) 3.423 5.303 ( 2.793 -2.655 -4.500) 5.925 5.652 ( 0.599 9.279 -0.566) 9.316 5.711 ( -1.745 4.929 0.455) 5.249 5.790 ( -1.990 -1.054 -0.863) 2.412 5.838 ( -1.254 -3.797 0.363) 4.015 6.084 ( 0.013 2.460 -0.745) 2.571 6.269 ( 3.724 5.929 -2.261) 7.358 6.334 ( 2.577 -18.935 2.487) 19.271 6.519 ( 3.364 -12.831 -3.707) 13.773 6.809 ( 1.601 6.278 0.439) 6.494 6.949 ( 2.656 4.411 0.242) 5.154 6.964 ( 2.492 -7.934 0.033) 8.317 7.051 ( 4.530 -5.517 0.588) 7.163 7.625 ( 0.306 0.131 0.754) 0.825 7.629 ( 0.158 -0.393 1.313) 1.379 7.753 ( 1.614 1.221 -0.528) 2.091 7.780 ( 0.948 -1.430 -1.860) 2.531 8.747 ( 0.616 10.315 -0.408) 10.341 8.870 ( 1.697 14.659 -0.352) 14.761 8.968 ( 0.587 -7.387 2.153) 7.717 9.228 ( 1.682 -15.327 -1.064) 15.456 13.882 ( 1.246 19.549 1.899) 19.681 14.123 ( -1.207 5.762 -7.212) 9.309 14.591 ( 5.526 3.010 5.273) 8.210 14.873 ( 5.105 -15.285 -1.540) 16.189 17.443 ( -2.192 4.423 -0.108) 4.937 17.535 ( -0.523 -3.830 0.446) 3.891 17.821 ( 1.535 7.288 -0.379) 7.457 17.964 ( 3.218 -5.601 -0.338) 6.468 26.851 ( -0.065 2.119 0.479) 2.174 26.896 ( 0.009 2.400 -0.238) 2.412 26.900 ( 0.127 -1.744 0.421) 1.798 26.959 ( 0.115 -2.812 -0.569) 2.871 27.255 ( 0.172 1.163 0.306) 1.215 27.277 ( 0.503 -0.776 0.312) 0.976 27.301 ( 0.527 0.800 -0.240) 0.987 27.313 ( 0.324 -0.243 -0.446) 0.603 36.194 ( -3.986 47.644 -3.460) 47.935 36.450 ( 6.201 60.223 -3.556) 60.646 37.314 ( 2.047 -22.262 1.768) 22.426 37.795 ( 6.633 -19.742 -0.763) 20.841 38.153 ( 0.367 7.453 2.391) 7.835 38.471 ( -3.385 -1.287 2.464) 4.380 38.768 ( 11.890 -22.505 -4.647) 25.874 39.127 ( 18.661 -51.840 -3.218) 55.190 41.455 ( 0.621 0.927 -0.121) 1.122 41.476 ( 0.263 -1.011 -0.435) 1.131 41.591 ( 2.208 1.355 3.170) 4.094 41.635 ( 2.481 -2.557 1.843) 4.011 44.484 ( 0.777 3.354 0.221) 3.450 44.506 ( 1.104 2.573 -0.156) 2.804 44.558 ( 0.690 -3.060 0.220) 3.145 44.571 ( 1.437 -3.512 0.232) 3.802 45.588 ( 1.270 0.968 0.493) 1.671 45.599 ( 0.674 0.113 -0.170) 0.704 45.912 ( 0.168 0.715 -0.007) 0.735 45.930 ( -0.010 -0.941 -0.398) 1.022 54.582 ( -1.425 10.158 0.844) 10.292 54.727 ( -2.065 2.103 -6.366) 7.015 55.277 ( 5.969 11.292 9.395) 15.855 55.622 ( 6.042 -14.924 0.451) 16.107 ======================= Grid point 97 (54/114) ======================= q-point: (-0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -8.820 4.622 -2.003) 10.157 1.931 ( -5.873 -5.157 -0.066) 7.816 2.150 ( -9.292 3.691 -0.172) 9.999 2.234 ( -5.945 -3.440 1.254) 6.982 2.303 ( 1.740 1.773 -0.026) 2.484 2.368 ( -1.357 -3.825 2.404) 4.717 2.589 ( 7.504 2.048 -2.487) 8.167 2.629 ( 7.243 -1.728 -5.567) 9.297 3.100 ( -5.575 4.015 4.521) 8.224 3.167 ( -7.902 -1.007 4.899) 9.352 3.442 ( -7.526 2.516 4.369) 9.059 3.493 ( -17.071 -1.019 0.110) 17.102 3.970 ( -0.615 3.617 2.908) 4.681 4.053 ( 1.151 -2.935 3.136) 4.447 4.213 ( 3.576 4.014 1.652) 5.624 4.306 ( 1.384 -3.962 0.758) 4.265 4.452 ( 0.744 5.847 -2.085) 6.252 4.574 ( 1.276 -5.289 -3.140) 6.282 4.978 ( 0.216 3.356 0.790) 3.454 5.035 ( 1.874 -1.555 -0.267) 2.450 5.120 ( -0.322 3.095 -2.542) 4.018 5.179 ( -1.262 -1.886 1.035) 2.494 5.334 ( 4.620 4.637 1.182) 6.651 5.379 ( 4.174 0.315 0.064) 4.187 5.648 ( -1.549 5.975 -1.189) 6.286 5.674 ( -1.670 4.751 0.806) 5.100 5.729 ( -3.244 -0.809 -1.611) 3.711 5.806 ( -1.821 -6.861 0.656) 7.129 6.092 ( 1.316 5.744 0.331) 5.902 6.358 ( 5.737 8.081 -2.578) 10.240 6.404 ( 3.266 -19.796 2.599) 20.231 6.599 ( 5.189 -11.225 -4.368) 13.115 6.847 ( 2.010 6.562 -0.774) 6.907 6.997 ( 2.391 -4.081 -0.623) 4.771 7.068 ( 7.294 0.722 0.766) 7.369 7.181 ( 7.731 -6.786 0.834) 10.321 7.631 ( -0.219 0.259 1.967) 1.996 7.637 ( 0.464 -0.432 0.358) 0.727 7.797 ( 1.548 0.102 -1.125) 1.916 7.803 ( 3.035 -0.632 -1.239) 3.339 8.778 ( 2.414 10.376 -0.886) 10.690 8.906 ( 1.513 14.977 0.706) 15.070 9.003 ( 2.161 -7.665 1.926) 8.194 9.268 ( 2.247 -15.366 -0.391) 15.535 13.916 ( 1.390 17.332 2.867) 17.623 14.105 ( 1.533 5.696 -7.186) 9.297 14.743 ( 8.089 5.414 4.297) 10.640 15.014 ( 9.004 -14.674 -1.416) 17.274 17.389 ( -2.905 6.295 -0.347) 6.941 17.516 ( -1.487 -4.763 0.960) 5.081 17.865 ( 2.838 8.979 -1.096) 9.481 18.037 ( 3.911 -6.440 -0.225) 7.538 26.849 ( -0.283 2.361 0.505) 2.431 26.897 ( 0.163 2.456 -0.107) 2.464 26.903 ( 0.067 -1.996 0.360) 2.030 26.962 ( 0.238 -2.886 -0.550) 2.947 27.257 ( -0.039 1.416 0.203) 1.431 27.285 ( 0.222 -1.118 0.187) 1.155 27.318 ( 1.242 0.858 -0.292) 1.537 27.327 ( 1.238 0.093 -0.338) 1.286 36.098 ( -4.217 48.469 -2.792) 48.732 36.623 ( 10.729 42.886 0.299) 44.208 37.417 ( 8.714 0.422 -0.997) 8.781 37.930 ( 6.489 -9.026 -0.074) 11.116 38.173 ( 0.909 7.627 2.859) 8.195 38.427 ( -2.063 -2.750 3.818) 5.137 38.985 ( 12.358 -7.738 -8.351) 16.803 39.685 ( 36.432 -73.105 -9.734) 82.258 41.474 ( 1.355 0.729 -0.705) 1.692 41.489 ( 1.403 -0.593 -0.887) 1.762 41.684 ( 6.428 -0.228 4.855) 8.059 41.721 ( 5.499 -3.043 2.399) 6.727 44.504 ( 1.092 3.233 -0.029) 3.413 44.541 ( 2.553 2.597 -0.636) 3.697 44.578 ( 1.180 -3.147 0.380) 3.382 44.616 ( 3.048 -3.851 0.145) 4.914 45.616 ( 1.419 1.111 -0.571) 1.891 45.625 ( 2.008 0.291 0.286) 2.050 45.917 ( 0.299 0.445 0.108) 0.547 45.931 ( 0.212 -0.823 -0.176) 0.869 54.534 ( -3.160 7.977 0.648) 8.604 54.654 ( -3.297 0.062 -6.601) 7.379 55.479 ( 11.149 14.485 10.583) 21.122 55.815 ( 12.629 -12.896 2.907) 18.282 ======================= Grid point 98 (55/114) ======================= q-point: (-0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -13.098 9.025 0.669) 15.921 1.764 ( -10.543 -3.135 2.567) 11.295 1.936 ( -12.096 3.129 2.074) 12.665 2.098 ( -7.961 -8.694 3.341) 12.253 2.285 ( -2.953 1.537 -1.458) 3.634 2.339 ( -2.166 -3.410 1.701) 4.383 2.698 ( 4.013 3.200 -7.979) 9.488 2.756 ( 4.722 -2.192 -9.899) 11.184 2.971 ( -10.152 4.222 2.963) 11.387 3.015 ( -8.099 0.586 3.433) 8.816 3.137 ( -12.734 11.218 4.384) 17.528 3.338 ( -4.343 -6.839 4.782) 9.408 3.972 ( 0.671 4.797 -0.856) 4.918 4.091 ( 2.535 -4.592 -1.454) 5.442 4.268 ( 0.756 2.948 5.617) 6.388 4.333 ( 0.290 -3.464 3.171) 4.705 4.514 ( 6.197 5.128 -2.850) 8.533 4.639 ( 5.743 -6.563 -4.025) 9.605 4.953 ( -2.425 4.556 0.661) 5.203 5.043 ( -1.225 -3.340 0.259) 3.567 5.146 ( 3.120 2.853 -0.781) 4.299 5.194 ( 2.774 -1.446 -0.960) 3.272 5.393 ( 0.634 4.156 1.981) 4.648 5.438 ( -0.083 0.135 2.864) 2.868 5.566 ( -4.738 3.261 -1.022) 5.842 5.656 ( -1.456 3.217 0.602) 3.582 5.675 ( -0.503 -1.919 -2.152) 2.927 5.778 ( -1.291 -8.051 1.042) 8.220 6.145 ( 3.451 9.546 1.167) 10.218 6.470 ( 2.711 -13.816 2.650) 14.327 6.483 ( 6.865 4.050 -2.602) 8.384 6.690 ( 4.813 -8.818 -3.396) 10.605 6.887 ( 2.468 6.318 -1.388) 6.923 7.048 ( 3.108 -7.373 -2.200) 8.298 7.236 ( 8.157 3.389 1.544) 8.967 7.345 ( 7.560 -5.645 0.662) 9.458 7.632 ( -0.262 0.093 1.865) 1.885 7.644 ( 0.068 -0.870 0.129) 0.882 7.820 ( 1.471 2.412 -1.464) 3.182 7.880 ( 4.459 -3.089 -0.190) 5.428 8.826 ( 2.301 10.189 -1.107) 10.504 8.926 ( 0.036 16.056 1.597) 16.135 9.058 ( 2.495 -8.517 1.680) 9.033 9.308 ( 1.563 -16.216 0.088) 16.291 13.954 ( 1.370 16.033 3.635) 16.497 14.140 ( 3.892 3.424 -6.449) 8.275 14.943 ( 10.524 8.741 2.835) 13.971 15.216 ( 10.883 -13.617 -1.006) 17.460 17.328 ( -2.946 8.047 -0.264) 8.574 17.484 ( -1.779 -5.629 1.172) 6.018 17.924 ( 3.326 10.509 -1.787) 11.167 18.113 ( 3.536 -6.568 -0.991) 7.525 26.843 ( -0.409 2.679 0.466) 2.750 26.901 ( 0.170 1.769 0.312) 1.804 26.905 ( 0.018 -1.664 -0.068) 1.666 26.964 ( 0.156 -2.887 -0.420) 2.922 27.256 ( -0.119 1.562 0.191) 1.579 27.288 ( 0.065 -1.343 0.069) 1.346 27.347 ( 1.583 1.175 -0.456) 2.024 27.358 ( 1.846 0.233 -0.385) 1.900 36.016 ( -3.333 52.730 0.051) 52.836 36.854 ( 10.490 2.287 5.818) 12.211 37.686 ( 18.523 32.278 -3.609) 37.390 38.049 ( 5.105 -2.192 0.507) 5.578 38.207 ( 1.622 8.311 3.465) 9.150 38.404 ( -1.484 -1.645 4.019) 4.589 39.255 ( 19.026 13.467 -15.969) 28.255 40.408 ( 34.770 -69.176 -19.754) 79.903 41.507 ( 2.390 1.331 -1.411) 3.078 41.532 ( 3.254 -0.809 -2.141) 3.978 41.871 ( 9.452 -1.972 1.707) 9.805 41.950 ( 20.383 -14.456 5.531) 25.594 44.526 ( 1.089 2.949 -0.452) 3.176 44.592 ( 1.847 -1.620 -1.621) 2.943 44.619 ( 3.682 1.114 0.870) 3.944 44.705 ( 6.234 -4.956 -0.642) 7.990 45.648 ( 2.044 2.086 -1.765) 3.413 45.673 ( 2.769 -0.264 -0.375) 2.807 45.922 ( 0.117 0.355 0.173) 0.412 45.939 ( 0.565 -1.175 0.315) 1.341 54.468 ( -3.455 5.365 0.551) 6.405 54.560 ( -3.540 -1.179 -7.916) 8.751 55.787 ( 15.793 19.232 10.365) 26.958 56.155 ( 19.672 -12.728 6.788) 24.394 ======================= Grid point 99 (56/114) ======================= q-point: (-0.17 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -12.512 13.763 6.440) 19.684 1.554 ( -11.041 1.743 7.291) 13.346 1.693 ( -12.518 1.363 7.092) 14.452 1.916 ( -11.234 -10.874 7.276) 17.245 2.213 ( -3.621 3.007 -2.757) 5.455 2.292 ( -2.850 -3.221 -0.441) 4.323 2.576 ( -17.231 8.420 -0.262) 19.180 2.652 ( -9.528 -0.403 -3.095) 10.026 2.749 ( -2.854 7.086 -6.756) 10.198 2.917 ( -2.290 -5.303 -3.904) 6.972 3.161 ( 7.296 6.117 0.761) 9.552 3.303 ( 0.327 -6.136 0.283) 6.151 3.989 ( 1.623 7.613 -4.556) 9.020 4.139 ( 2.970 -3.074 -5.607) 7.050 4.307 ( 1.752 -0.932 7.953) 8.197 4.353 ( 0.847 -4.003 4.632) 6.180 4.649 ( 7.162 3.402 -2.597) 8.343 4.747 ( 5.170 -6.014 -3.816) 8.801 4.898 ( -3.180 4.598 0.881) 5.659 4.999 ( -3.044 -4.520 1.121) 5.563 5.226 ( 4.279 2.763 -0.215) 5.098 5.265 ( 4.115 -0.661 -1.373) 4.388 5.366 ( -5.467 -0.658 -1.156) 5.627 5.370 ( -2.694 -0.096 -0.231) 2.706 5.520 ( -0.499 5.199 3.952) 6.549 5.625 ( -1.436 0.061 1.103) 1.811 5.680 ( 0.082 -0.062 -0.671) 0.679 5.751 ( -1.841 -7.007 2.413) 7.636 6.224 ( 3.476 10.409 2.497) 11.255 6.514 ( 1.062 -14.363 2.980) 14.707 6.629 ( 7.946 5.985 -3.022) 10.397 6.773 ( 4.266 -5.660 -2.437) 7.495 6.945 ( 3.644 5.643 -0.287) 6.723 7.111 ( 3.849 -8.585 -2.200) 9.662 7.378 ( 5.144 4.726 1.035) 7.062 7.466 ( 4.024 -2.390 0.683) 4.729 7.629 ( -0.615 -0.691 0.447) 1.027 7.645 ( 0.205 -1.169 0.973) 1.535 7.848 ( 1.580 4.502 -0.977) 4.870 7.972 ( 4.115 -6.564 0.270) 7.752 8.856 ( 0.999 10.277 -1.171) 10.392 8.916 ( -1.409 17.109 1.566) 17.238 9.105 ( 1.579 -9.907 1.271) 10.112 9.326 ( 0.131 -17.652 -0.111) 17.653 13.991 ( 1.059 16.322 4.157) 16.876 14.221 ( 5.687 -1.461 -4.495) 7.395 15.175 ( 11.327 10.544 0.646) 15.489 15.426 ( 9.447 -11.852 -0.681) 15.172 17.274 ( -2.165 9.392 -0.003) 9.638 17.456 ( -1.264 -6.797 0.809) 6.960 17.985 ( 3.295 11.136 -2.538) 11.888 18.165 ( 2.026 -5.760 -2.940) 6.777 26.836 ( -0.394 2.971 0.353) 3.018 26.903 ( -0.153 -2.087 -0.373) 2.126 26.907 ( 0.255 1.676 0.422) 1.747 26.964 ( -0.110 -2.755 -0.241) 2.767 27.255 ( -0.089 1.670 0.333) 1.705 27.290 ( 0.056 -1.500 0.152) 1.509 27.376 ( 1.448 1.663 -0.769) 2.336 27.396 ( 2.006 0.012 -0.812) 2.164 35.967 ( -2.102 58.535 4.321) 58.732 37.065 ( 7.891 -33.349 10.087) 35.724 38.055 ( 13.261 18.860 -0.422) 23.059 38.140 ( 3.733 0.877 1.597) 4.154 38.281 ( 5.818 12.313 2.437) 13.835 38.395 ( 0.378 -0.271 3.210) 3.244 39.718 ( 34.912 51.049 -31.031) 69.194 40.838 ( 13.938 -34.504 -20.192) 42.338 41.569 ( 4.533 2.710 -2.557) 5.868 41.596 ( 3.561 0.440 -2.877) 4.599 42.119 ( 15.550 5.136 -1.528) 16.447 42.557 ( 35.509 -37.519 -9.252) 52.481 44.544 ( 0.750 2.539 -0.821) 2.772 44.612 ( 0.779 -3.374 -1.077) 3.626 44.729 ( 7.267 5.256 -0.512) 8.983 44.889 ( 12.988 -8.703 -3.915) 16.117 45.683 ( 2.133 3.557 -4.579) 6.178 45.736 ( 3.867 -1.371 -2.179) 4.646 45.923 ( -0.038 0.787 0.119) 0.797 45.961 ( 1.790 -2.918 0.228) 3.431 54.396 ( -3.636 4.280 -0.610) 5.649 54.480 ( -1.635 -2.045 -9.287) 9.649 56.151 ( 16.914 26.161 4.662) 31.500 56.644 ( 25.471 -18.648 8.016) 32.570 ======================= Grid point 100 (57/114) ======================= q-point: (-0.08 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -7.655 16.004 13.837) 22.499 1.386 ( -7.980 9.509 12.390) 17.538 1.495 ( -10.134 -4.201 13.998) 17.784 1.719 ( -9.300 -7.873 6.851) 13.979 2.060 ( -10.533 18.397 3.644) 21.509 2.229 ( -0.711 2.443 -6.559) 7.036 2.371 ( -2.303 -2.909 -2.317) 4.374 2.441 ( -8.904 -3.585 -2.735) 9.980 2.687 ( -2.290 2.691 -2.116) 4.119 2.854 ( -2.424 -11.108 -3.284) 11.835 3.307 ( 6.709 2.708 -5.374) 9.012 3.340 ( 3.486 0.016 -6.140) 7.061 4.006 ( 1.606 10.287 -5.700) 11.870 4.176 ( 2.477 -1.003 -7.174) 7.655 4.378 ( 2.123 -4.020 6.499) 7.932 4.398 ( 2.172 -5.893 4.899) 7.965 4.765 ( 3.927 0.987 -2.451) 4.733 4.802 ( 0.517 -1.771 0.322) 1.873 4.835 ( -1.504 2.455 -1.601) 3.294 4.929 ( -4.171 -5.177 1.772) 6.880 5.248 ( -1.655 2.532 -3.910) 4.943 5.286 ( -1.987 -0.696 -3.365) 3.969 5.338 ( 3.095 0.356 -0.178) 3.121 5.360 ( 3.163 -1.623 -0.023) 3.555 5.536 ( 0.194 5.187 4.782) 7.058 5.595 ( -2.096 1.569 1.307) 2.927 5.647 ( -2.970 1.455 1.480) 3.623 5.734 ( -0.878 -7.279 4.386) 8.543 6.287 ( 1.565 9.835 3.530) 10.566 6.532 ( -0.225 -11.765 3.042) 12.154 6.762 ( 5.494 3.714 -4.549) 8.042 6.845 ( 3.269 -3.723 -1.996) 5.341 7.031 ( 4.349 5.423 2.205) 7.293 7.189 ( 4.001 -7.769 -0.113) 8.739 7.449 ( 2.056 5.391 0.300) 5.778 7.524 ( 1.662 0.054 2.671) 3.146 7.610 ( -1.055 0.182 -0.524) 1.192 7.653 ( 0.089 -1.130 1.107) 1.585 7.874 ( 1.180 3.934 -0.917) 4.209 8.027 ( 0.863 -9.330 0.512) 9.383 8.861 ( -0.480 13.262 -0.500) 13.280 8.890 ( -0.802 15.609 -0.224) 15.631 9.128 ( 0.403 -11.441 0.811) 11.476 9.316 ( -0.820 -19.198 -0.960) 19.239 14.019 ( 0.297 18.137 4.603) 18.714 14.334 ( 5.982 -8.860 -1.604) 10.810 15.378 ( 8.308 9.065 -1.586) 12.398 15.563 ( 3.702 -8.607 -1.407) 9.475 17.245 ( -0.808 10.164 0.233) 10.199 17.439 ( -0.627 -7.476 -0.140) 7.503 18.038 ( 2.679 8.537 -3.581) 9.637 18.167 ( -0.609 -3.480 -6.337) 7.256 26.830 ( -0.330 3.149 0.140) 3.169 26.895 ( -0.395 -1.490 -0.984) 1.829 26.915 ( 0.426 0.399 0.650) 0.874 26.959 ( -0.317 -2.396 -0.073) 2.418 27.255 ( -0.018 1.758 0.559) 1.845 27.292 ( 0.067 -1.583 0.345) 1.621 27.397 ( 0.873 2.132 -1.143) 2.572 27.429 ( 1.437 -0.615 -1.475) 2.149 35.955 ( -1.088 63.941 8.840) 64.559 37.226 ( 4.330 -47.522 12.581) 49.350 38.158 ( 0.725 3.991 2.250) 4.639 38.205 ( 1.468 -0.293 2.727) 3.111 38.331 ( -1.234 4.847 1.410) 5.197 38.516 ( 6.284 -11.749 0.968) 13.359 40.401 ( 37.179 46.084 -37.538) 70.108 40.927 ( 2.020 -11.314 -18.683) 21.935 41.647 ( 2.314 2.826 -1.811) 4.077 41.681 ( 6.892 1.515 -4.913) 8.598 42.498 ( 23.408 22.791 -18.145) 37.371 43.072 ( 16.013 -25.509 -26.097) 39.852 44.551 ( 0.273 2.282 -0.861) 2.454 44.619 ( 0.205 -3.593 -1.243) 3.807 44.931 ( 13.177 11.121 -3.242) 17.545 45.163 ( 13.222 -8.507 -9.399) 18.317 45.704 ( 2.238 6.732 -9.734) 12.044 45.809 ( 3.930 -2.827 -4.725) 6.765 45.927 ( 0.623 2.277 -1.056) 2.587 46.019 ( 4.161 -6.504 -5.027) 9.214 54.325 ( -2.717 5.509 -3.155) 6.905 54.433 ( -0.341 -3.602 -10.209) 10.831 56.439 ( 10.365 32.690 -8.106) 35.239 57.113 ( 15.258 -30.179 -4.891) 34.168 ======================= Grid point 125 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 5.364 0.000 17.866) 18.654 0.967 ( -1.094 0.000 19.918) 19.948 1.466 ( 7.117 0.000 10.724) 12.871 1.828 ( -5.879 0.000 17.672) 18.624 1.976 ( -1.111 0.000 -17.467) 17.502 2.162 ( -3.658 0.000 24.777) 25.046 2.221 ( -2.694 0.000 2.501) 3.676 2.432 ( -1.141 0.000 -5.360) 5.480 2.877 ( -1.754 0.000 -19.605) 19.684 2.901 ( -3.309 0.000 9.406) 9.971 3.019 ( 2.068 0.000 -13.365) 13.524 3.224 ( 7.895 0.000 -7.836) 11.123 3.703 ( 1.544 0.000 -0.630) 1.667 3.782 ( -2.190 0.000 -4.563) 5.061 4.664 ( -4.523 0.000 1.436) 4.746 4.767 ( 12.202 0.000 -4.005) 12.843 4.787 ( -6.232 0.000 -0.642) 6.265 4.823 ( 1.251 0.000 -1.595) 2.027 5.040 ( -5.495 0.000 0.305) 5.504 5.074 ( 4.214 0.000 -1.621) 4.516 5.170 ( -5.862 0.000 4.537) 7.412 5.259 ( -1.461 0.000 0.982) 1.760 5.353 ( 0.348 0.000 0.023) 0.348 5.364 ( 5.290 0.000 -0.564) 5.320 5.424 ( 0.449 0.000 1.286) 1.362 5.505 ( 0.588 0.000 -0.286) 0.654 5.594 ( -4.175 0.000 4.498) 6.137 5.794 ( 4.989 0.000 -6.136) 7.908 6.390 ( -3.838 0.000 3.738) 5.357 6.416 ( 1.422 0.000 1.739) 2.246 6.879 ( -4.690 0.000 5.666) 7.355 6.987 ( 2.986 0.000 0.366) 3.008 7.093 ( 3.156 0.000 -4.605) 5.583 7.096 ( -3.781 0.000 -4.910) 6.197 7.419 ( -0.296 0.000 2.449) 2.467 7.505 ( 2.933 0.000 -1.335) 3.223 7.737 ( 2.113 0.000 2.011) 2.917 7.845 ( -1.280 0.000 -2.785) 3.065 8.369 ( -6.731 0.000 2.193) 7.079 8.415 ( -2.956 0.000 4.808) 5.644 8.438 ( 19.281 0.000 -1.145) 19.315 8.628 ( 4.159 0.000 -4.724) 6.294 9.520 ( -1.961 0.000 4.446) 4.859 9.730 ( 0.844 0.000 -5.050) 5.120 13.345 ( 6.034 0.000 0.462) 6.052 13.392 ( -6.659 0.000 -1.608) 6.851 15.331 ( 1.479 0.000 5.713) 5.902 15.499 ( -19.423 0.000 -1.684) 19.496 16.980 ( 0.987 0.000 3.932) 4.054 17.178 ( -4.232 0.000 -4.708) 6.330 17.671 ( 4.198 0.000 3.281) 5.328 17.828 ( -0.408 0.000 -3.707) 3.729 26.749 ( -0.080 0.000 0.412) 0.419 26.770 ( -0.023 0.000 -0.523) 0.524 26.995 ( -0.276 0.000 0.326) 0.427 27.012 ( -0.155 0.000 -0.424) 0.452 27.229 ( -0.098 0.000 1.502) 1.505 27.301 ( -0.000 0.000 -1.666) 1.666 27.320 ( 0.207 0.000 0.212) 0.296 27.330 ( -0.181 0.000 -0.243) 0.303 34.039 ( 3.401 0.000 2.242) 4.074 34.155 ( -4.122 0.000 -3.012) 5.106 38.013 ( 0.914 0.000 0.929) 1.303 38.073 ( 0.422 0.000 -1.805) 1.854 38.412 ( -0.641 0.000 8.722) 8.746 38.440 ( -3.209 0.000 4.896) 5.854 39.603 ( 0.143 0.000 4.988) 4.990 40.198 ( 3.868 0.000 -18.232) 18.638 41.505 ( 0.060 0.000 0.730) 0.733 41.551 ( -0.062 0.000 -1.498) 1.499 42.477 ( 3.795 0.000 1.604) 4.120 42.496 ( -16.412 0.000 1.147) 16.452 44.603 ( 0.163 0.000 0.631) 0.652 44.659 ( 2.018 0.000 -1.871) 2.752 44.827 ( 4.335 0.000 2.070) 4.804 44.859 ( -3.056 0.000 0.918) 3.191 45.637 ( 2.064 0.000 5.390) 5.771 45.847 ( 0.465 0.000 -0.219) 0.514 45.881 ( 0.675 0.000 -1.322) 1.484 45.976 ( -4.363 0.000 -9.276) 10.251 53.995 ( -8.705 0.000 -2.996) 9.206 54.120 ( 11.375 0.000 -10.680) 15.603 55.852 ( -4.923 0.000 28.741) 29.160 57.093 ( -29.385 0.000 -30.184) 42.125 ======================= Grid point 126 (59/114) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.076 ( 15.535 0.000 14.004) 20.916 1.117 ( 11.719 0.000 11.503) 16.421 1.676 ( 6.550 0.000 -6.251) 9.054 1.906 ( -0.407 0.000 -20.002) 20.007 1.935 ( 11.484 0.000 28.075) 30.333 2.103 ( -3.158 0.000 16.060) 16.367 2.317 ( 6.497 0.000 12.824) 14.376 2.419 ( 1.758 0.000 -4.850) 5.159 2.843 ( 3.087 0.000 -14.856) 15.173 2.846 ( -4.482 0.000 7.747) 8.950 2.989 ( -1.156 0.000 -10.427) 10.491 3.327 ( 5.010 0.000 -9.161) 10.441 3.746 ( -0.299 0.000 -5.537) 5.545 3.765 ( 4.512 0.000 0.694) 4.565 4.592 ( -2.532 0.000 -1.556) 2.972 4.604 ( -9.746 0.000 2.966) 10.188 4.817 ( -1.109 0.000 2.468) 2.706 4.866 ( -3.191 0.000 -1.127) 3.384 5.036 ( -7.726 0.000 4.287) 8.835 5.079 ( 6.007 0.000 -4.434) 7.466 5.133 ( 1.365 0.000 -0.720) 1.543 5.232 ( -3.395 0.000 1.345) 3.652 5.377 ( 3.480 0.000 0.302) 3.493 5.380 ( -2.104 0.000 -1.248) 2.446 5.452 ( 2.636 0.000 1.847) 3.219 5.501 ( -0.836 0.000 -2.266) 2.415 5.588 ( 2.435 0.000 2.345) 3.380 5.870 ( 3.052 0.000 -4.896) 5.769 6.376 ( 1.577 0.000 1.404) 2.111 6.436 ( -0.502 0.000 2.582) 2.631 6.795 ( -5.065 0.000 4.915) 7.057 6.989 ( -4.742 0.000 -5.510) 7.270 7.035 ( 0.626 0.000 2.407) 2.487 7.122 ( 1.001 0.000 -3.349) 3.495 7.436 ( 1.146 0.000 0.888) 1.450 7.562 ( 2.741 0.000 -2.021) 3.406 7.785 ( 1.915 0.000 2.312) 3.002 7.795 ( -2.331 0.000 -3.155) 3.923 8.165 ( -12.954 0.000 -1.912) 13.094 8.368 ( -2.545 0.000 4.062) 4.793 8.610 ( 0.205 0.000 -3.775) 3.780 8.642 ( -2.334 0.000 -5.062) 5.574 9.485 ( -2.635 0.000 4.915) 5.577 9.718 ( -0.742 0.000 -4.484) 4.545 13.306 ( -0.185 0.000 -3.948) 3.953 13.467 ( 4.980 0.000 2.093) 5.402 15.248 ( -5.504 0.000 5.397) 7.708 15.334 ( -3.377 0.000 8.960) 9.575 17.050 ( 4.172 0.000 5.237) 6.696 17.113 ( -0.721 0.000 -3.644) 3.715 17.787 ( 5.789 0.000 3.026) 6.532 17.861 ( 3.664 0.000 -8.438) 9.199 26.754 ( 0.419 0.000 0.458) 0.621 26.774 ( 0.456 0.000 -0.454) 0.644 26.990 ( -0.299 0.000 0.432) 0.525 27.021 ( 0.858 0.000 -0.610) 1.053 27.232 ( -0.095 0.000 1.535) 1.538 27.293 ( -0.215 0.000 -1.579) 1.593 27.324 ( 0.150 0.000 0.265) 0.304 27.324 ( -0.287 0.000 -0.301) 0.416 34.131 ( 3.629 0.000 -4.048) 5.436 34.155 ( 6.587 0.000 3.315) 7.374 38.029 ( 0.407 0.000 0.340) 0.530 38.080 ( 0.637 0.000 -2.397) 2.480 38.393 ( -3.022 0.000 4.968) 5.815 38.408 ( -2.241 0.000 8.762) 9.044 39.684 ( 5.713 0.000 9.107) 10.751 40.565 ( 29.767 0.000 -37.892) 48.186 41.502 ( -0.564 0.000 0.718) 0.913 41.539 ( -0.592 0.000 -1.239) 1.373 42.307 ( -5.121 0.000 0.672) 5.165 42.507 ( -1.943 0.000 5.195) 5.547 44.578 ( -2.645 0.000 0.271) 2.659 44.662 ( -0.791 0.000 -2.732) 2.844 44.803 ( -2.219 0.000 0.123) 2.223 44.960 ( 6.548 0.000 -2.599) 7.045 45.668 ( -0.550 0.000 4.703) 4.735 45.784 ( -6.985 0.000 -4.674) 8.404 45.902 ( 0.545 0.000 -4.225) 4.260 45.912 ( 2.051 0.000 0.341) 2.079 53.845 ( -4.588 0.000 -4.205) 6.223 54.343 ( 12.950 0.000 -9.672) 16.164 55.795 ( -10.654 0.000 35.065) 36.648 56.437 ( -24.874 0.000 -4.159) 25.219 ======================= Grid point 127 (60/114) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 18.113 0.000 2.203) 18.247 1.460 ( 17.882 0.000 9.549) 20.272 1.758 ( 4.467 0.000 -1.068) 4.593 1.857 ( 1.982 0.000 -18.378) 18.484 2.067 ( 1.518 0.000 6.945) 7.109 2.316 ( 8.678 0.000 15.283) 17.575 2.450 ( 1.653 0.000 -5.465) 5.709 2.603 ( 18.510 0.000 16.481) 24.784 2.787 ( -1.697 0.000 6.735) 6.946 2.869 ( 1.065 0.000 -5.899) 5.994 2.962 ( 3.004 0.000 -7.553) 8.128 3.380 ( 2.824 0.000 -8.692) 9.139 3.722 ( -0.484 0.000 -4.613) 4.638 3.880 ( 6.125 0.000 1.561) 6.321 4.418 ( -9.570 0.000 2.954) 10.015 4.538 ( -3.023 0.000 -1.084) 3.211 4.764 ( -7.413 0.000 4.290) 8.565 4.792 ( -2.306 0.000 1.361) 2.678 4.915 ( -2.760 0.000 -0.512) 2.807 5.084 ( -9.715 0.000 -0.117) 9.716 5.111 ( -1.208 0.000 -1.149) 1.667 5.138 ( -0.444 0.000 0.560) 0.714 5.388 ( 1.682 0.000 -0.208) 1.695 5.450 ( -1.892 0.000 -3.191) 3.710 5.484 ( 3.790 0.000 -0.130) 3.792 5.531 ( 5.073 0.000 3.675) 6.265 5.648 ( 2.252 0.000 0.772) 2.381 5.875 ( -0.963 0.000 -4.202) 4.311 6.403 ( -3.375 0.000 1.822) 3.835 6.432 ( 3.137 0.000 -1.898) 3.666 6.708 ( -4.488 0.000 3.128) 5.470 6.881 ( -4.448 0.000 -4.639) 6.427 7.003 ( -4.540 0.000 3.085) 5.489 7.127 ( 0.319 0.000 -1.236) 1.276 7.455 ( 0.561 0.000 -1.071) 1.209 7.590 ( 0.418 0.000 -1.849) 1.896 7.748 ( -1.644 0.000 -3.673) 4.024 7.824 ( 1.196 0.000 1.701) 2.080 7.875 ( -13.453 0.000 -2.499) 13.683 8.337 ( -1.541 0.000 2.546) 2.976 8.421 ( -11.721 0.000 -3.044) 12.110 8.640 ( -0.285 0.000 -1.595) 1.620 9.444 ( -3.075 0.000 5.898) 6.651 9.675 ( -2.025 0.000 -4.100) 4.573 13.318 ( 1.573 0.000 -5.314) 5.542 13.543 ( 1.877 0.000 1.921) 2.686 15.218 ( -0.155 0.000 -0.540) 0.562 15.255 ( -7.118 0.000 11.033) 13.130 17.124 ( 2.471 0.000 -2.620) 3.602 17.162 ( 4.858 0.000 5.836) 7.593 17.894 ( 2.305 0.000 -9.877) 10.142 17.901 ( 4.050 0.000 3.305) 5.227 26.768 ( 0.767 0.000 0.503) 0.917 26.784 ( 0.673 0.000 -0.340) 0.754 26.985 ( -0.397 0.000 0.696) 0.801 27.033 ( 0.470 0.000 -0.915) 1.029 27.234 ( -0.119 0.000 1.423) 1.428 27.283 ( -0.313 0.000 -1.416) 1.451 27.316 ( -0.492 0.000 -0.289) 0.571 27.327 ( 0.023 0.000 0.271) 0.272 34.267 ( 10.328 0.000 -4.627) 11.317 34.307 ( 7.164 0.000 3.211) 7.851 38.030 ( -0.331 0.000 -0.111) 0.349 38.079 ( -0.046 0.000 -2.362) 2.363 38.338 ( -3.689 0.000 3.110) 4.825 38.373 ( -3.712 0.000 8.174) 8.977 39.858 ( 6.558 0.000 16.552) 17.803 40.885 ( 12.762 0.000 -45.670) 47.420 41.487 ( -1.055 0.000 0.628) 1.228 41.526 ( -0.145 0.000 -1.254) 1.262 42.175 ( -8.788 0.000 -7.769) 11.730 42.421 ( -8.708 0.000 8.317) 12.042 44.512 ( -3.480 0.000 0.199) 3.486 44.622 ( -2.113 0.000 -3.170) 3.810 44.768 ( -1.542 0.000 -0.014) 1.542 44.987 ( -3.482 0.000 -5.655) 6.641 45.622 ( -5.925 0.000 -3.781) 7.029 45.655 ( -1.472 0.000 2.888) 3.242 45.925 ( 1.792 0.000 -1.030) 2.067 45.946 ( 0.776 0.000 1.433) 1.630 53.797 ( 1.062 0.000 -3.759) 3.906 54.552 ( 9.434 0.000 -8.061) 12.408 55.629 ( -15.353 0.000 34.176) 37.466 56.104 ( -9.388 0.000 1.956) 9.589 ======================= Grid point 128 (61/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.779 ( 11.982 0.000 -11.871) 16.866 1.817 ( 14.270 0.000 6.073) 15.509 1.887 ( 8.782 0.000 10.183) 13.447 1.895 ( 6.428 0.000 -11.656) 13.311 2.164 ( 6.430 0.000 3.728) 7.433 2.419 ( -0.822 0.000 6.835) 6.884 2.424 ( -2.545 0.000 -3.605) 4.413 2.779 ( 4.773 0.000 3.132) 5.709 2.870 ( 0.590 0.000 -4.221) 4.262 3.028 ( 3.050 0.000 -1.674) 3.479 3.152 ( 24.498 0.000 11.925) 27.246 3.393 ( 1.170 0.000 -4.595) 4.742 3.724 ( 2.039 0.000 -0.172) 2.046 4.010 ( 5.939 0.000 1.957) 6.253 4.239 ( -8.756 0.000 2.326) 9.059 4.445 ( -6.324 0.000 0.998) 6.402 4.611 ( -8.140 0.000 4.356) 9.233 4.741 ( -1.838 0.000 -3.475) 3.931 4.891 ( -8.261 0.000 -2.558) 8.648 4.930 ( 3.588 0.000 -0.826) 3.681 5.069 ( -2.177 0.000 1.198) 2.485 5.124 ( -1.174 0.000 0.922) 1.493 5.373 ( -3.813 0.000 -4.298) 5.746 5.410 ( -0.097 0.000 2.927) 2.928 5.523 ( -1.018 0.000 1.244) 1.607 5.657 ( 2.517 0.000 -1.796) 3.092 5.694 ( 5.212 0.000 6.511) 8.340 5.823 ( -2.488 0.000 -4.280) 4.951 6.318 ( -4.888 0.000 -0.958) 4.981 6.468 ( 0.817 0.000 -2.371) 2.508 6.645 ( -2.183 0.000 1.429) 2.609 6.778 ( -4.409 0.000 -3.964) 5.929 6.893 ( -6.562 0.000 2.632) 7.070 7.116 ( -1.541 0.000 0.344) 1.579 7.457 ( 0.171 0.000 -1.825) 1.833 7.561 ( -3.090 0.000 -0.607) 3.149 7.565 ( -11.322 0.000 -5.252) 12.481 7.772 ( -0.021 0.000 0.822) 0.822 7.834 ( -0.755 0.000 0.933) 1.200 8.189 ( -9.675 0.000 -3.368) 10.245 8.319 ( -0.813 0.000 1.278) 1.515 8.610 ( -2.216 0.000 -0.561) 2.286 9.396 ( -3.472 0.000 6.413) 7.293 9.618 ( -2.231 0.000 -4.071) 4.642 13.319 ( 0.015 0.000 -4.391) 4.391 13.559 ( -0.522 0.000 0.679) 0.857 15.127 ( -8.313 0.000 10.737) 13.579 15.199 ( -1.360 0.000 -3.842) 4.075 17.187 ( 4.274 0.000 -2.123) 4.773 17.273 ( 4.323 0.000 5.370) 6.894 17.900 ( 1.159 0.000 -8.764) 8.841 17.959 ( 0.593 0.000 3.668) 3.715 26.786 ( 0.829 0.000 0.457) 0.947 26.796 ( 0.553 0.000 -0.216) 0.594 26.978 ( -0.476 0.000 0.890) 1.010 27.034 ( -0.020 0.000 -0.967) 0.967 27.235 ( -0.178 0.000 1.189) 1.202 27.273 ( -0.326 0.000 -1.157) 1.202 27.303 ( -0.591 0.000 -0.238) 0.637 27.326 ( -0.158 0.000 0.204) 0.258 34.457 ( 6.608 0.000 2.717) 7.145 34.488 ( 12.078 0.000 -4.651) 12.943 38.017 ( -0.855 0.000 -0.423) 0.953 38.066 ( -0.680 0.000 -1.568) 1.709 38.267 ( -3.686 0.000 0.780) 3.767 38.310 ( -4.742 0.000 7.519) 8.890 40.002 ( 1.256 0.000 20.733) 20.771 40.824 ( -4.558 0.000 -44.846) 45.077 41.465 ( -1.195 0.000 0.504) 1.297 41.526 ( 0.456 0.000 -1.926) 1.979 41.920 ( -12.635 0.000 -3.277) 13.053 42.215 ( -13.391 0.000 7.682) 15.438 44.451 ( -2.507 0.000 0.238) 2.518 44.560 ( -3.006 0.000 -3.097) 4.316 44.735 ( -1.781 0.000 -0.009) 1.781 44.842 ( -7.451 0.000 -1.511) 7.603 45.541 ( -1.909 0.000 -1.491) 2.422 45.633 ( -1.286 0.000 1.572) 2.031 45.949 ( -0.745 0.000 1.216) 1.426 45.953 ( 1.044 0.000 -0.638) 1.223 53.856 ( 5.384 0.000 -2.977) 6.152 54.641 ( 0.534 0.000 -4.284) 4.317 55.429 ( -11.725 0.000 25.657) 28.209 55.992 ( -3.470 0.000 0.324) 3.485 ======================= Grid point 129 (62/114) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 5.626 0.000 -7.393) 9.290 2.033 ( 8.294 0.000 -3.234) 8.902 2.052 ( 7.821 0.000 3.313) 8.494 2.108 ( 8.476 0.000 2.757) 8.913 2.327 ( 6.895 0.000 3.269) 7.631 2.357 ( -2.985 0.000 0.413) 3.014 2.397 ( 0.142 0.000 2.222) 2.226 2.808 ( -6.088 0.000 -6.152) 8.655 2.939 ( 9.223 0.000 1.358) 9.322 3.065 ( 0.915 0.000 3.564) 3.679 3.437 ( 3.332 0.000 3.645) 4.938 3.630 ( 18.947 0.000 2.174) 19.071 3.799 ( 4.150 0.000 4.110) 5.840 4.087 ( -6.728 0.000 2.446) 7.159 4.131 ( 5.682 0.000 2.724) 6.301 4.304 ( -7.215 0.000 1.287) 7.329 4.476 ( -6.128 0.000 2.079) 6.471 4.698 ( -1.568 0.000 -8.218) 8.366 4.766 ( -2.093 0.000 -1.925) 2.844 4.989 ( 0.046 0.000 4.008) 4.008 5.088 ( 5.126 0.000 -1.206) 5.266 5.099 ( -1.297 0.000 0.719) 1.483 5.286 ( -2.944 0.000 -3.174) 4.330 5.398 ( -2.125 0.000 3.973) 4.506 5.457 ( -4.838 0.000 -0.241) 4.844 5.637 ( -2.390 0.000 -2.008) 3.122 5.762 ( -2.190 0.000 -3.873) 4.450 5.851 ( 6.068 0.000 6.254) 8.714 6.216 ( -3.921 0.000 -3.785) 5.450 6.448 ( -2.207 0.000 -1.393) 2.610 6.629 ( 0.113 0.000 -0.547) 0.558 6.698 ( -1.646 0.000 -2.697) 3.159 6.771 ( -5.855 0.000 1.554) 6.058 7.063 ( -3.942 0.000 0.815) 4.025 7.334 ( -8.237 0.000 -3.630) 9.002 7.460 ( -6.634 0.000 0.524) 6.655 7.494 ( 2.227 0.000 0.217) 2.237 7.770 ( -0.745 0.000 0.190) 0.769 7.796 ( -3.216 0.000 0.580) 3.268 8.021 ( -5.804 0.000 -3.821) 6.949 8.314 ( 0.166 0.000 0.437) 0.467 8.551 ( -3.402 0.000 -0.152) 3.405 9.345 ( -3.293 0.000 6.233) 7.050 9.567 ( -1.480 0.000 -4.375) 4.619 13.301 ( -0.391 0.000 -2.884) 2.910 13.530 ( -2.254 0.000 -0.681) 2.354 14.998 ( -7.138 0.000 9.059) 11.533 15.143 ( -2.628 0.000 -4.523) 5.230 17.278 ( 5.187 0.000 -2.006) 5.561 17.365 ( 3.215 0.000 4.256) 5.334 17.896 ( 0.991 0.000 -7.074) 7.143 17.949 ( -2.612 0.000 3.940) 4.728 26.802 ( 0.602 0.000 0.306) 0.675 26.805 ( 0.308 0.000 -0.089) 0.320 26.972 ( -0.404 0.000 0.964) 1.045 27.028 ( -0.255 0.000 -0.964) 0.997 27.234 ( -0.229 0.000 0.912) 0.940 27.264 ( -0.278 0.000 -0.867) 0.910 27.292 ( -0.402 0.000 -0.126) 0.422 27.322 ( -0.334 0.000 0.067) 0.341 34.583 ( 4.957 0.000 2.376) 5.497 34.699 ( 9.602 0.000 -5.075) 10.861 37.996 ( -1.015 0.000 -0.547) 1.153 38.040 ( -1.737 0.000 0.032) 1.737 38.207 ( -1.673 0.000 -2.008) 2.614 38.231 ( -5.080 0.000 6.824) 8.507 40.013 ( -6.285 0.000 19.901) 20.870 40.509 ( -11.481 0.000 -36.050) 37.835 41.445 ( -0.868 0.000 0.501) 1.003 41.529 ( 0.416 0.000 -2.328) 2.364 41.716 ( -7.046 0.000 2.440) 7.456 41.965 ( -12.028 0.000 4.121) 12.714 44.414 ( -1.229 0.000 0.319) 1.269 44.491 ( -2.744 0.000 -1.857) 3.313 44.697 ( -1.824 0.000 0.002) 1.824 44.721 ( -4.348 0.000 0.799) 4.421 45.516 ( -0.454 0.000 -0.388) 0.597 45.614 ( -0.962 0.000 0.740) 1.213 45.930 ( -1.252 0.000 0.729) 1.449 45.962 ( 0.106 0.000 -0.764) 0.771 53.979 ( 7.180 0.000 -2.384) 7.565 54.548 ( -8.299 0.000 1.342) 8.407 55.347 ( -2.595 0.000 14.627) 14.855 55.928 ( -3.018 0.000 -2.180) 3.723 ======================= Grid point 130 (63/114) ======================= q-point: ( 0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.983 ( 3.905 0.000 -3.853) 5.486 2.092 ( -1.074 0.000 -0.016) 1.075 2.231 ( 4.244 0.000 -1.287) 4.435 2.247 ( 8.395 0.000 4.052) 9.322 2.314 ( -1.259 0.000 1.728) 2.138 2.400 ( 3.000 0.000 2.279) 3.768 2.506 ( 5.507 0.000 1.397) 5.682 2.627 ( -9.019 0.000 -0.547) 9.035 3.086 ( -0.088 0.000 3.893) 3.894 3.120 ( 8.001 0.000 -1.510) 8.142 3.524 ( 2.727 0.000 8.023) 8.474 3.880 ( 5.644 0.000 -4.969) 7.519 3.894 ( 3.338 0.000 6.339) 7.164 3.997 ( -1.539 0.000 2.192) 2.678 4.186 ( -4.373 0.000 0.909) 4.467 4.257 ( 4.271 0.000 4.437) 6.158 4.379 ( -3.361 0.000 -1.047) 3.520 4.633 ( -1.298 0.000 -9.429) 9.518 4.794 ( 4.229 0.000 -0.461) 4.254 4.989 ( -1.637 0.000 4.984) 5.246 5.080 ( -0.835 0.000 1.232) 1.488 5.151 ( 0.361 0.000 0.035) 0.362 5.276 ( 1.090 0.000 -3.215) 3.394 5.354 ( -2.949 0.000 2.154) 3.652 5.390 ( 1.436 0.000 -2.100) 2.544 5.555 ( -5.071 0.000 -1.396) 5.260 5.720 ( -0.364 0.000 -2.657) 2.682 5.928 ( -0.658 0.000 1.915) 2.025 6.175 ( 1.984 0.000 -3.074) 3.659 6.377 ( -4.368 0.000 -0.316) 4.379 6.630 ( 0.612 0.000 -1.886) 1.983 6.673 ( -3.901 0.000 0.218) 3.907 6.719 ( 3.636 0.000 -0.380) 3.656 6.964 ( -5.924 0.000 0.712) 5.967 7.206 ( -3.342 0.000 -0.948) 3.474 7.321 ( -6.355 0.000 0.614) 6.385 7.561 ( 4.016 0.000 0.490) 4.046 7.716 ( -4.460 0.000 0.401) 4.478 7.744 ( -1.533 0.000 0.425) 1.591 7.921 ( -3.331 0.000 -3.566) 4.880 8.330 ( 1.364 0.000 0.199) 1.378 8.477 ( -3.717 0.000 -0.391) 3.738 9.305 ( -2.406 0.000 5.952) 6.420 9.534 ( -0.396 0.000 -4.741) 4.758 13.297 ( 0.784 0.000 -1.202) 1.435 13.468 ( -3.414 0.000 -1.818) 3.868 14.902 ( -4.506 0.000 7.209) 8.502 15.084 ( -1.404 0.000 -4.195) 4.424 17.381 ( 5.559 0.000 -2.186) 5.974 17.417 ( 0.588 0.000 2.744) 2.806 17.884 ( -4.823 0.000 4.203) 6.398 17.909 ( 2.395 0.000 -5.262) 5.781 26.809 ( 0.139 0.000 0.030) 0.142 26.811 ( 0.245 0.000 0.126) 0.275 26.969 ( -0.188 0.000 0.978) 0.995 27.020 ( -0.216 0.000 -0.965) 0.988 27.232 ( -0.224 0.000 0.687) 0.722 27.257 ( -0.139 0.000 -0.654) 0.668 27.288 ( 0.027 0.000 0.057) 0.063 27.314 ( -0.438 0.000 -0.107) 0.451 34.665 ( 2.266 0.000 2.309) 3.235 34.831 ( 4.889 0.000 -5.660) 7.480 37.976 ( -0.796 0.000 -0.217) 0.825 37.997 ( -2.448 0.000 0.937) 2.621 38.151 ( -4.557 0.000 5.691) 7.290 38.198 ( 1.564 0.000 -3.336) 3.685 39.886 ( -10.504 0.000 15.135) 18.423 40.265 ( -1.730 0.000 -23.616) 23.679 41.435 ( -0.286 0.000 0.796) 0.845 41.526 ( -0.045 0.000 -2.331) 2.331 41.634 ( -2.278 0.000 3.163) 3.898 41.782 ( -6.585 0.000 1.311) 6.714 44.401 ( -0.282 0.000 0.438) 0.521 44.445 ( -1.423 0.000 -0.842) 1.653 44.662 ( -2.002 0.000 0.935) 2.209 44.666 ( -1.141 0.000 0.014) 1.141 45.517 ( 0.535 0.000 0.463) 0.708 45.597 ( -0.952 0.000 0.069) 0.954 45.910 ( -0.841 0.000 0.566) 1.014 45.955 ( -0.381 0.000 -1.017) 1.086 54.120 ( 7.215 0.000 -1.759) 7.427 54.368 ( -9.127 0.000 2.760) 9.535 55.381 ( 1.721 0.000 9.600) 9.753 55.855 ( -3.013 0.000 -4.290) 5.242 ======================= Grid point 131 (64/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -4.227 0.000 -1.195) 4.393 2.049 ( 3.699 0.000 -1.798) 4.113 2.236 ( -4.739 0.000 2.138) 5.199 2.307 ( 3.807 0.000 -0.903) 3.912 2.396 ( 1.191 0.000 3.505) 3.702 2.437 ( -1.879 0.000 1.675) 2.517 2.531 ( 0.699 0.000 3.437) 3.507 2.574 ( 1.239 0.000 0.940) 1.556 3.096 ( 0.491 0.000 2.684) 2.728 3.241 ( 4.662 0.000 -4.159) 6.248 3.567 ( -1.242 0.000 9.907) 9.984 3.870 ( -2.651 0.000 -2.778) 3.840 3.969 ( 2.713 0.000 4.561) 5.307 4.055 ( 4.962 0.000 -2.007) 5.352 4.135 ( -1.511 0.000 2.694) 3.089 4.255 ( -4.296 0.000 5.002) 6.594 4.346 ( -1.283 0.000 -2.588) 2.888 4.603 ( 1.099 0.000 -8.883) 8.951 4.915 ( 7.092 0.000 1.331) 7.215 4.918 ( -6.013 0.000 2.453) 6.494 5.073 ( -0.457 0.000 2.819) 2.856 5.164 ( -0.225 0.000 1.436) 1.454 5.266 ( 1.493 0.000 -4.686) 4.918 5.298 ( -2.771 0.000 -0.295) 2.786 5.432 ( -6.425 0.000 -1.562) 6.612 5.481 ( 4.809 0.000 -0.246) 4.816 5.767 ( 6.091 0.000 -0.917) 6.159 5.864 ( -4.037 0.000 -3.044) 5.056 6.255 ( 5.011 0.000 -0.159) 5.013 6.275 ( -5.428 0.000 -0.441) 5.445 6.624 ( -0.756 0.000 -1.037) 1.283 6.649 ( 1.901 0.000 -1.518) 2.433 6.817 ( 5.452 0.000 1.164) 5.575 6.838 ( -6.092 0.000 0.173) 6.094 7.200 ( 2.646 0.000 0.835) 2.774 7.230 ( -2.649 0.000 -0.266) 2.663 7.641 ( -2.424 0.000 0.122) 2.427 7.644 ( 3.487 0.000 -0.047) 3.487 7.730 ( 0.451 0.000 2.076) 2.125 7.855 ( -2.291 0.000 -3.674) 4.330 8.369 ( 2.199 0.000 0.791) 2.337 8.406 ( -2.888 0.000 -0.921) 3.031 9.286 ( -1.068 0.000 5.896) 5.992 9.523 ( 0.687 0.000 -4.844) 4.892 13.329 ( 2.396 0.000 0.356) 2.422 13.389 ( -3.575 0.000 -2.516) 4.371 14.862 ( -1.430 0.000 5.934) 6.104 15.078 ( 2.360 0.000 -3.909) 4.566 17.400 ( -2.686 0.000 1.195) 2.940 17.485 ( 5.244 0.000 -2.814) 5.952 17.786 ( -5.914 0.000 4.575) 7.477 17.964 ( 4.203 0.000 -3.627) 5.551 26.811 ( 0.072 0.000 0.100) 0.123 26.813 ( -0.095 0.000 0.031) 0.100 26.971 ( 0.068 0.000 0.985) 0.988 27.015 ( 0.043 0.000 -1.009) 1.010 27.229 ( -0.172 0.000 0.584) 0.609 27.255 ( 0.178 0.000 -0.565) 0.593 27.293 ( 0.402 0.000 0.229) 0.463 27.304 ( -0.398 0.000 -0.268) 0.480 34.684 ( -1.107 0.000 2.532) 2.764 34.863 ( 0.148 0.000 -5.583) 5.585 37.959 ( -1.290 0.000 0.861) 1.551 37.963 ( -0.732 0.000 1.115) 1.333 38.090 ( -2.542 0.000 3.711) 4.498 38.241 ( 3.308 0.000 -2.750) 4.302 39.721 ( -8.644 0.000 9.958) 13.186 40.339 ( 15.274 0.000 -18.075) 23.664 41.437 ( 0.044 0.000 1.207) 1.208 41.511 ( -0.822 0.000 -1.985) 2.148 41.638 ( 1.926 0.000 3.167) 3.707 41.704 ( -1.514 0.000 0.059) 1.515 44.403 ( 0.309 0.000 0.532) 0.615 44.427 ( -0.248 0.000 -0.628) 0.676 44.641 ( -0.347 0.000 0.842) 0.911 44.656 ( 0.204 0.000 0.055) 0.211 45.540 ( 1.414 0.000 1.015) 1.740 45.575 ( -1.101 0.000 -0.566) 1.237 45.902 ( -0.049 0.000 0.736) 0.738 45.944 ( -0.354 0.000 -1.131) 1.185 54.212 ( -6.894 0.000 1.593) 7.076 54.257 ( 6.667 0.000 -0.481) 6.684 55.460 ( 3.280 0.000 8.694) 9.292 55.792 ( -1.301 0.000 -5.963) 6.104 ======================= Grid point 132 (65/114) ======================= q-point: (-0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.917 ( -7.085 0.000 -0.972) 7.151 2.114 ( 2.200 0.000 -0.987) 2.412 2.162 ( -1.854 0.000 1.746) 2.546 2.296 ( -11.378 0.000 1.299) 11.452 2.368 ( 1.411 0.000 0.096) 1.414 2.427 ( 2.943 0.000 0.680) 3.021 2.555 ( -0.680 0.000 -0.850) 1.088 2.587 ( 0.026 0.000 1.671) 1.671 3.103 ( -1.676 0.000 0.789) 1.853 3.264 ( -2.308 0.000 -2.970) 3.761 3.568 ( -0.433 0.000 9.993) 10.003 3.758 ( -8.680 0.000 -4.434) 9.747 4.042 ( 3.442 0.000 3.134) 4.655 4.119 ( -1.200 0.000 3.562) 3.759 4.135 ( -0.081 0.000 -2.673) 2.674 4.195 ( -0.453 0.000 5.169) 5.189 4.285 ( -1.760 0.000 1.238) 2.151 4.626 ( 3.788 0.000 -8.820) 9.599 4.810 ( -3.995 0.000 0.201) 4.000 5.014 ( -0.336 0.000 3.777) 3.792 5.113 ( 3.374 0.000 2.233) 4.046 5.155 ( 0.176 0.000 -0.305) 0.352 5.249 ( -0.611 0.000 1.784) 1.886 5.309 ( -3.953 0.000 -4.663) 6.113 5.313 ( 3.315 0.000 -1.682) 3.718 5.547 ( 1.600 0.000 2.522) 2.987 5.778 ( -3.348 0.000 -3.325) 4.719 5.942 ( 10.028 0.000 -0.892) 10.068 6.164 ( -4.704 0.000 -1.665) 4.991 6.344 ( 3.377 0.000 0.610) 3.432 6.623 ( 0.219 0.000 -1.299) 1.317 6.707 ( 4.312 0.000 -0.842) 4.393 6.752 ( -1.136 0.000 -2.397) 2.652 6.929 ( 4.781 0.000 2.597) 5.441 7.203 ( -0.070 0.000 -1.064) 1.066 7.305 ( 6.922 0.000 1.173) 7.020 7.628 ( 0.970 0.000 -1.660) 1.923 7.685 ( 0.929 0.000 1.963) 2.171 7.789 ( 4.075 0.000 1.988) 4.535 7.806 ( -1.339 0.000 -3.498) 3.746 8.364 ( -0.673 0.000 -1.461) 1.609 8.419 ( 2.251 0.000 2.041) 3.039 9.299 ( 0.553 0.000 5.957) 5.982 9.535 ( 1.953 0.000 -4.612) 5.008 13.316 ( -2.746 0.000 -2.583) 3.770 13.390 ( 3.153 0.000 1.458) 3.474 14.878 ( 1.216 0.000 5.445) 5.579 15.160 ( 6.885 0.000 -4.114) 8.020 17.326 ( -4.641 0.000 0.467) 4.664 17.562 ( 2.628 0.000 -4.073) 4.847 17.687 ( -4.527 0.000 5.236) 6.922 18.045 ( 4.523 0.000 -3.012) 5.435 26.808 ( -0.370 0.000 0.071) 0.377 26.812 ( -0.003 0.000 0.079) 0.079 26.977 ( 0.249 0.000 0.991) 1.021 27.016 ( 0.388 0.000 -1.110) 1.176 27.228 ( -0.141 0.000 0.628) 0.644 27.261 ( 0.536 0.000 -0.611) 0.812 27.297 ( -0.180 0.000 -0.350) 0.393 27.304 ( 0.580 0.000 0.306) 0.656 34.634 ( -4.708 0.000 2.856) 5.507 34.811 ( -3.594 0.000 -4.666) 5.889 37.948 ( -1.270 0.000 2.872) 3.140 37.952 ( 0.342 0.000 0.701) 0.781 38.082 ( 1.035 0.000 1.904) 2.167 38.306 ( 3.546 0.000 -1.572) 3.879 39.618 ( -3.932 0.000 7.457) 8.430 40.724 ( 25.755 0.000 -21.715) 33.687 41.442 ( 0.150 0.000 1.360) 1.368 41.487 ( -0.851 0.000 -1.536) 1.755 41.714 ( 2.490 0.000 -0.632) 2.569 41.760 ( 10.900 0.000 2.999) 11.305 44.416 ( 0.795 0.000 0.633) 1.016 44.430 ( 0.816 0.000 -1.027) 1.312 44.652 ( 1.066 0.000 0.847) 1.362 44.676 ( 1.733 0.000 0.146) 1.739 45.551 ( -1.015 0.000 -0.952) 1.392 45.577 ( 1.935 0.000 1.060) 2.206 45.910 ( 0.484 0.000 0.925) 1.044 45.938 ( 0.193 0.000 -0.870) 0.891 54.095 ( -4.957 0.000 -0.523) 4.984 54.386 ( 5.720 0.000 1.723) 5.974 55.561 ( 3.952 0.000 9.204) 10.016 55.789 ( 3.660 0.000 -7.251) 8.122 ======================= Grid point 133 (66/114) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -12.467 0.000 0.356) 12.472 1.968 ( -17.184 0.000 1.016) 17.214 2.135 ( -3.930 0.000 -1.141) 4.092 2.198 ( 5.204 0.000 -0.863) 5.275 2.360 ( -2.488 0.000 0.769) 2.604 2.469 ( -2.526 0.000 -3.414) 4.247 2.559 ( 6.538 0.000 -6.348) 9.113 2.608 ( 1.477 0.000 4.618) 4.849 3.014 ( -6.296 0.000 -0.456) 6.312 3.115 ( -11.512 0.000 1.510) 11.611 3.451 ( -20.769 0.000 0.154) 20.769 3.595 ( -0.995 0.000 5.570) 5.658 4.008 ( -7.348 0.000 -3.823) 8.283 4.072 ( -2.433 0.000 6.025) 6.498 4.167 ( 6.444 0.000 -1.867) 6.709 4.287 ( 5.747 0.000 9.217) 10.862 4.356 ( 6.071 0.000 -0.565) 6.097 4.704 ( 6.498 0.000 -8.320) 10.557 4.789 ( 2.595 0.000 -1.180) 2.851 4.972 ( -4.212 0.000 3.607) 5.545 5.094 ( -2.449 0.000 1.081) 2.677 5.175 ( 1.506 0.000 -0.373) 1.552 5.243 ( -1.128 0.000 -3.644) 3.815 5.372 ( 8.018 0.000 3.452) 8.730 5.375 ( 2.847 0.000 -0.204) 2.854 5.572 ( -0.015 0.000 3.841) 3.841 5.708 ( -2.962 0.000 -1.306) 3.237 6.006 ( -4.470 0.000 -0.481) 4.496 6.208 ( 10.482 0.000 -4.321) 11.338 6.389 ( 0.897 0.000 0.956) 1.311 6.619 ( 0.632 0.000 -0.706) 0.948 6.783 ( 4.400 0.000 -5.792) 7.274 6.817 ( 6.398 0.000 -0.357) 6.408 7.020 ( 3.234 0.000 3.452) 4.730 7.223 ( 2.325 0.000 -0.062) 2.326 7.452 ( 6.214 0.000 0.377) 6.225 7.628 ( -0.692 0.000 -5.670) 5.712 7.712 ( 1.118 0.000 4.238) 4.383 7.792 ( 0.720 0.000 -1.423) 1.595 7.889 ( 5.358 0.000 2.026) 5.728 8.374 ( 2.119 0.000 -2.342) 3.158 8.467 ( 1.553 0.000 3.378) 3.718 9.344 ( 2.120 0.000 5.894) 6.264 9.575 ( 3.303 0.000 -4.335) 5.450 13.264 ( -1.686 0.000 -2.065) 2.666 13.456 ( 2.630 0.000 2.057) 3.339 14.938 ( 2.981 0.000 5.363) 6.136 15.325 ( 10.449 0.000 -4.769) 11.486 17.225 ( -5.296 0.000 0.561) 5.325 17.530 ( -3.818 0.000 -0.472) 3.847 17.671 ( 0.672 0.000 0.881) 1.108 18.118 ( 3.414 0.000 -3.549) 4.924 26.798 ( -0.598 0.000 0.199) 0.630 26.810 ( -0.195 0.000 -0.053) 0.202 26.986 ( 0.298 0.000 0.972) 1.017 27.023 ( 0.643 0.000 -1.253) 1.409 27.227 ( -0.171 0.000 0.778) 0.796 27.272 ( 0.758 0.000 -0.780) 1.088 27.296 ( 0.141 0.000 -0.299) 0.331 27.317 ( 0.551 0.000 0.272) 0.614 34.512 ( -8.045 0.000 2.807) 8.521 34.698 ( -6.170 0.000 -3.345) 7.018 37.936 ( -0.672 0.000 3.159) 3.230 37.974 ( 1.476 0.000 0.449) 1.543 38.136 ( 3.386 0.000 2.511) 4.216 38.370 ( 2.992 0.000 -0.316) 3.008 39.602 ( -0.324 0.000 8.116) 8.123 41.075 ( 12.651 0.000 -23.888) 27.031 41.451 ( 0.348 0.000 1.211) 1.261 41.477 ( 0.541 0.000 -1.067) 1.197 41.799 ( 6.150 0.000 -1.179) 6.262 42.190 ( 32.379 0.000 -7.569) 33.252 44.439 ( 1.357 0.000 0.843) 1.597 44.457 ( 2.548 0.000 -2.264) 3.408 44.687 ( 2.096 0.000 0.765) 2.231 44.725 ( 2.991 0.000 0.427) 3.021 45.531 ( -0.639 0.000 -0.925) 1.124 45.621 ( 2.139 0.000 0.591) 2.219 45.923 ( 0.421 0.000 0.871) 0.968 45.951 ( 1.333 0.000 -0.268) 1.359 54.004 ( -3.492 0.000 -3.268) 4.783 54.482 ( 2.358 0.000 3.704) 4.391 55.669 ( 3.618 0.000 10.133) 10.759 55.939 ( 14.596 0.000 -7.932) 16.612 ======================= Grid point 134 (67/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.422 ( -17.176 0.000 3.170) 17.466 1.588 ( -20.063 0.000 3.816) 20.422 1.997 ( -8.852 0.000 -2.546) 9.211 2.278 ( -5.849 0.000 2.760) 6.467 2.334 ( 5.833 0.000 -4.376) 7.292 2.369 ( -2.267 0.000 -11.159) 11.387 2.634 ( -4.495 0.000 7.486) 8.732 2.712 ( 9.265 0.000 -7.833) 12.132 2.855 ( -14.437 0.000 5.152) 15.329 2.895 ( -3.989 0.000 -0.397) 4.009 3.005 ( -19.809 0.000 10.690) 22.509 3.512 ( -7.575 0.000 -2.683) 8.037 3.858 ( -6.100 0.000 -4.273) 7.448 4.027 ( -3.105 0.000 1.715) 3.547 4.324 ( 9.366 0.000 -1.663) 9.512 4.419 ( 3.115 0.000 6.352) 7.075 4.503 ( 9.391 0.000 1.726) 9.548 4.834 ( 7.312 0.000 -4.785) 8.738 4.895 ( -2.530 0.000 0.019) 2.530 4.909 ( 8.939 0.000 -1.185) 9.017 5.071 ( -0.794 0.000 1.557) 1.748 5.200 ( 0.830 0.000 0.793) 1.148 5.238 ( 1.588 0.000 -0.770) 1.765 5.422 ( 1.650 0.000 0.001) 1.650 5.515 ( 3.632 0.000 3.134) 4.797 5.564 ( -1.878 0.000 2.158) 2.861 5.650 ( -2.292 0.000 1.853) 2.947 5.902 ( -4.676 0.000 -2.320) 5.219 6.392 ( -0.675 0.000 1.159) 1.341 6.401 ( 8.811 0.000 -6.679) 11.056 6.677 ( 5.573 0.000 0.784) 5.627 6.862 ( 4.812 0.000 -6.919) 8.428 6.939 ( 4.716 0.000 0.920) 4.805 7.082 ( 2.251 0.000 2.578) 3.422 7.301 ( 5.133 0.000 2.904) 5.897 7.520 ( 0.304 0.000 0.187) 0.357 7.571 ( -2.695 0.000 -6.393) 6.938 7.765 ( 2.704 0.000 3.705) 4.587 7.806 ( 0.458 0.000 -0.604) 0.758 8.033 ( 8.365 0.000 3.457) 9.051 8.427 ( 3.738 0.000 -3.575) 5.172 8.498 ( 0.223 0.000 4.316) 4.322 9.414 ( 2.890 0.000 5.553) 6.260 9.636 ( 3.717 0.000 -4.438) 5.789 13.233 ( -0.956 0.000 -1.431) 1.721 13.503 ( 1.324 0.000 2.406) 2.746 15.026 ( 4.165 0.000 5.012) 6.517 15.541 ( 12.064 0.000 -6.109) 13.523 17.122 ( -4.931 0.000 1.139) 5.061 17.453 ( -3.525 0.000 0.554) 3.569 17.670 ( -1.024 0.000 -0.805) 1.302 18.151 ( 0.853 0.000 -5.183) 5.253 26.785 ( -0.774 0.000 0.317) 0.836 26.803 ( -0.473 0.000 -0.260) 0.540 26.994 ( 0.211 0.000 0.902) 0.927 27.033 ( 0.637 0.000 -1.446) 1.580 27.226 ( -0.189 0.000 0.968) 0.986 27.285 ( 0.781 0.000 -1.034) 1.296 27.300 ( 0.355 0.000 -0.139) 0.381 27.327 ( 0.377 0.000 0.159) 0.409 34.334 ( -9.952 0.000 2.064) 10.164 34.550 ( -7.437 0.000 -2.068) 7.720 37.942 ( 0.339 0.000 2.897) 2.917 38.010 ( 1.889 0.000 -0.014) 1.889 38.224 ( 3.992 0.000 4.311) 5.876 38.423 ( 2.130 0.000 0.865) 2.299 39.634 ( 0.233 0.000 10.143) 10.146 41.116 ( -0.128 0.000 -22.289) 22.289 41.464 ( 0.603 0.000 0.951) 1.126 41.500 ( 1.709 0.000 -1.312) 2.154 41.954 ( 9.380 0.000 -1.362) 9.478 42.858 ( 33.195 0.000 -26.496) 42.473 44.476 ( 1.987 0.000 1.132) 2.287 44.521 ( 4.647 0.000 -5.037) 6.853 44.738 ( 2.818 0.000 -0.331) 2.838 44.795 ( 3.576 0.000 1.191) 3.769 45.521 ( -0.072 0.000 -0.468) 0.474 45.671 ( 2.942 0.000 -0.021) 2.942 45.928 ( -0.212 0.000 0.461) 0.508 45.994 ( 3.034 0.000 -0.456) 3.068 53.937 ( -1.561 0.000 -6.297) 6.488 54.483 ( -3.519 0.000 3.854) 5.219 55.760 ( 2.012 0.000 11.468) 11.643 56.363 ( 29.920 0.000 -10.152) 31.596 ======================= Grid point 135 (68/114) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -17.888 0.000 7.922) 19.563 1.217 ( -17.578 0.000 10.793) 20.627 1.775 ( -12.085 0.000 -4.735) 12.979 2.161 ( -7.466 0.000 10.903) 13.214 2.214 ( -5.830 0.000 -12.374) 13.679 2.341 ( -21.157 0.000 14.278) 25.524 2.458 ( 4.329 0.000 -10.305) 11.177 2.578 ( -13.603 0.000 10.014) 16.891 2.866 ( 8.097 0.000 -8.824) 11.976 2.897 ( 4.428 0.000 -0.971) 4.533 2.897 ( 0.481 0.000 9.118) 9.131 3.300 ( -10.494 0.000 -10.817) 15.071 3.747 ( -3.506 0.000 -3.308) 4.820 3.954 ( -4.100 0.000 -1.548) 4.383 4.480 ( 2.326 0.000 3.124) 3.895 4.526 ( 10.869 0.000 -2.103) 11.071 4.702 ( 8.542 0.000 3.178) 9.114 4.818 ( -3.325 0.000 2.552) 4.192 5.020 ( 9.832 0.000 -4.856) 10.966 5.051 ( -1.393 0.000 -0.217) 1.410 5.098 ( 8.527 0.000 -0.496) 8.542 5.217 ( 0.828 0.000 2.461) 2.597 5.296 ( 3.245 0.000 2.410) 4.042 5.422 ( -2.462 0.000 -2.273) 3.351 5.486 ( -5.259 0.000 0.514) 5.284 5.516 ( -2.427 0.000 1.458) 2.832 5.663 ( 0.837 0.000 5.246) 5.312 5.812 ( -2.890 0.000 -6.413) 7.034 6.380 ( -0.607 0.000 1.030) 1.196 6.499 ( 2.920 0.000 -7.045) 7.626 6.835 ( 8.127 0.000 0.472) 8.141 6.927 ( 3.789 0.000 -5.805) 6.932 6.985 ( -0.879 0.000 4.234) 4.325 7.135 ( 2.418 0.000 -0.823) 2.554 7.454 ( 7.459 0.000 3.039) 8.055 7.491 ( -2.734 0.000 1.531) 3.134 7.508 ( -0.088 0.000 -0.156) 0.179 7.813 ( 1.151 0.000 1.018) 1.537 7.824 ( 2.162 0.000 1.121) 2.435 8.236 ( 9.492 0.000 4.726) 10.603 8.495 ( 4.005 0.000 -4.418) 5.963 8.497 ( -1.697 0.000 4.753) 5.047 9.484 ( 2.218 0.000 5.007) 5.477 9.689 ( 2.785 0.000 -4.960) 5.689 13.220 ( 0.250 0.000 -1.238) 1.263 13.522 ( -0.196 0.000 2.418) 2.426 15.135 ( 5.103 0.000 4.240) 6.634 15.750 ( 9.895 0.000 -9.483) 13.705 17.039 ( -3.658 0.000 1.811) 4.082 17.386 ( -3.443 0.000 -1.201) 3.646 17.631 ( -2.200 0.000 0.427) 2.241 18.106 ( -3.969 0.000 -7.357) 8.359 26.770 ( -0.838 0.000 0.357) 0.911 26.791 ( -0.633 0.000 -0.448) 0.776 26.999 ( 0.016 0.000 0.741) 0.741 27.037 ( 0.185 0.000 -1.678) 1.688 27.226 ( -0.154 0.000 1.171) 1.181 27.296 ( 0.629 0.000 -1.323) 1.465 27.308 ( 0.360 0.000 0.029) 0.362 27.333 ( 0.146 0.000 0.008) 0.146 34.145 ( -8.458 0.000 1.105) 8.530 34.396 ( -7.071 0.000 -1.174) 7.168 37.963 ( 0.904 0.000 2.401) 2.565 38.045 ( 1.651 0.000 -0.693) 1.791 38.314 ( 3.123 0.000 6.234) 6.973 38.460 ( 1.090 0.000 1.871) 2.165 39.652 ( -1.802 0.000 10.288) 10.445 40.957 ( -8.929 0.000 -26.400) 27.870 41.480 ( 0.723 0.000 0.759) 1.048 41.529 ( 1.482 0.000 -1.497) 2.106 42.157 ( 10.526 0.000 -0.967) 10.571 43.204 ( 8.017 0.000 -36.461) 37.332 44.525 ( 2.407 0.000 1.277) 2.725 44.589 ( 3.112 0.000 -6.352) 7.074 44.785 ( 1.596 0.000 -2.494) 2.961 44.867 ( 2.596 0.000 2.268) 3.447 45.529 ( 0.990 0.000 0.650) 1.184 45.744 ( 4.135 0.000 -1.007) 4.256 45.916 ( -0.990 0.000 -0.303) 1.035 46.060 ( 3.435 0.000 -4.027) 5.293 53.913 ( 1.786 0.000 -8.976) 9.152 54.372 ( -7.980 0.000 2.578) 8.386 55.816 ( -0.167 0.000 14.276) 14.277 57.020 ( 36.245 0.000 -22.505) 42.663 ======================= Grid point 136 (69/114) ======================= q-point: (-0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 0.803 ( -10.388 0.000 14.804) 18.085 0.994 ( -8.399 0.000 20.670) 22.311 1.506 ( -11.606 0.000 2.494) 11.871 1.974 ( -13.648 0.000 19.567) 23.856 2.071 ( -3.791 0.000 -14.994) 15.466 2.142 ( -3.370 0.000 14.261) 14.654 2.364 ( -10.517 0.000 9.348) 14.071 2.468 ( -0.032 0.000 -7.459) 7.459 2.920 ( -1.403 0.000 10.384) 10.478 2.959 ( 4.241 0.000 -14.808) 15.404 3.049 ( 3.918 0.000 -13.493) 14.050 3.072 ( -1.258 0.000 -7.341) 7.448 3.699 ( -0.622 0.000 -1.826) 1.929 3.861 ( -4.060 0.000 -3.456) 5.332 4.563 ( 6.231 0.000 1.225) 6.351 4.727 ( 8.518 0.000 -2.997) 9.030 4.752 ( -4.091 0.000 3.695) 5.512 4.833 ( 2.837 0.000 0.739) 2.931 5.029 ( 0.217 0.000 -1.841) 1.854 5.155 ( -2.684 0.000 0.452) 2.722 5.200 ( 8.459 0.000 -2.736) 8.891 5.289 ( -3.399 0.000 1.309) 3.642 5.307 ( 0.622 0.000 -1.870) 1.971 5.336 ( -2.295 0.000 2.630) 3.490 5.400 ( -0.390 0.000 0.994) 1.068 5.496 ( -0.327 0.000 1.623) 1.655 5.661 ( -2.808 0.000 5.108) 5.829 5.757 ( 0.410 0.000 -8.940) 8.950 6.385 ( 0.910 0.000 1.004) 1.355 6.477 ( -3.559 0.000 -1.628) 3.914 6.931 ( 2.744 0.000 -1.872) 3.322 6.948 ( -3.725 0.000 5.509) 6.650 7.018 ( 5.657 0.000 -4.220) 7.058 7.153 ( -0.423 0.000 -3.091) 3.119 7.440 ( -2.469 0.000 2.591) 3.579 7.467 ( 0.868 0.000 -1.948) 2.133 7.672 ( 5.178 0.000 3.342) 6.163 7.855 ( 0.790 0.000 -1.130) 1.379 7.977 ( 17.642 0.000 8.587) 19.621 8.398 ( 3.946 0.000 5.080) 6.433 8.457 ( -3.593 0.000 4.528) 5.780 8.561 ( 3.890 0.000 -4.547) 5.984 9.525 ( 0.255 0.000 4.531) 4.538 9.718 ( 1.779 0.000 -5.335) 5.624 13.248 ( 3.227 0.000 -1.040) 3.391 13.500 ( -3.025 0.000 0.872) 3.148 15.250 ( 4.693 0.000 4.000) 6.167 15.808 ( -3.508 0.000 -14.220) 14.646 16.987 ( -2.090 0.000 2.378) 3.165 17.292 ( -5.041 0.000 -4.202) 6.562 17.613 ( 0.449 0.000 2.935) 2.969 17.947 ( -8.495 0.000 -5.937) 10.364 26.755 ( -0.640 0.000 0.365) 0.737 26.777 ( -0.471 0.000 -0.533) 0.712 26.999 ( -0.191 0.000 0.493) 0.528 27.028 ( -0.681 0.000 -1.468) 1.618 27.227 ( -0.115 0.000 1.362) 1.367 27.302 ( 0.348 0.000 -1.582) 1.620 27.314 ( 0.268 0.000 0.141) 0.303 27.333 ( -0.082 0.000 -0.143) 0.165 34.027 ( -2.940 0.000 1.021) 3.112 34.265 ( -5.574 0.000 -1.507) 5.774 37.990 ( 1.022 0.000 1.675) 1.962 38.068 ( 0.858 0.000 -1.432) 1.669 38.380 ( 1.294 0.000 7.806) 7.913 38.473 ( -0.741 0.000 2.718) 2.817 39.624 ( -3.077 0.000 7.208) 7.837 40.559 ( -21.647 0.000 -29.229) 36.372 41.496 ( 0.548 0.000 0.707) 0.895 41.548 ( 0.802 0.000 -1.537) 1.733 42.351 ( 8.283 0.000 -0.206) 8.286 42.955 ( -20.393 0.000 -24.819) 32.123 44.575 ( 2.002 0.000 1.068) 2.269 44.617 ( 1.829 0.000 -2.510) 3.106 44.790 ( 0.083 0.000 0.141) 0.163 44.897 ( -0.626 0.000 2.249) 2.335 45.571 ( 2.608 0.000 3.029) 3.997 45.814 ( 2.855 0.000 -1.414) 3.186 45.891 ( -0.985 0.000 -1.169) 1.529 46.068 ( -1.376 0.000 -7.931) 8.049 53.967 ( 6.642 0.000 -10.572) 12.485 54.192 ( -9.799 0.000 -0.017) 9.799 55.845 ( -2.015 0.000 20.200) 20.300 57.459 ( 10.078 0.000 -43.046) 44.210 ======================= Grid point 137 (70/114) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -2.729 16.594 15.956) 23.182 1.238 ( 1.229 20.123 15.454) 25.403 1.606 ( 5.385 11.677 7.162) 14.719 1.882 ( -1.760 5.286 6.754) 8.755 1.973 ( -2.609 -4.349 1.408) 5.263 2.108 ( -1.546 -2.063 17.033) 17.227 2.183 ( -5.049 -0.519 0.650) 5.117 2.392 ( 0.212 -4.045 -5.004) 6.438 2.775 ( -2.535 -7.296 0.920) 7.778 2.952 ( -1.855 3.593 -14.525) 15.078 3.043 ( 4.320 -0.757 -7.232) 8.458 3.206 ( 5.962 -0.704 -9.027) 10.841 3.769 ( 1.813 6.012 -0.971) 6.355 3.891 ( -2.767 7.384 -7.073) 10.593 4.639 ( -1.647 -6.674 1.707) 7.083 4.677 ( -2.018 -1.900 1.909) 3.365 4.711 ( 0.241 -7.406 -0.226) 7.413 4.816 ( 3.181 -1.025 -3.127) 4.577 4.941 ( 4.870 -4.186 1.169) 6.527 5.016 ( -2.795 -4.725 -1.332) 5.649 5.109 ( -3.325 -2.114 0.943) 4.052 5.196 ( 1.805 -3.316 -1.897) 4.225 5.385 ( -0.749 4.189 3.285) 5.376 5.460 ( 1.570 3.849 1.032) 4.283 5.467 ( 0.213 3.966 -0.048) 3.972 5.502 ( -0.110 0.869 0.050) 0.877 5.630 ( -2.341 2.519 4.606) 5.748 5.820 ( 1.799 -0.096 -4.368) 4.725 6.333 ( -3.327 0.513 8.415) 9.064 6.573 ( 0.885 6.384 -4.135) 7.658 6.813 ( -3.278 -6.869 4.350) 8.767 6.944 ( 1.035 -5.491 -1.316) 5.740 7.080 ( 3.843 2.441 -0.769) 4.617 7.151 ( -3.179 5.333 -4.548) 7.696 7.465 ( 1.917 3.411 2.483) 4.635 7.551 ( -0.803 2.654 -0.928) 2.924 7.682 ( 3.070 -3.676 2.783) 5.539 7.805 ( -1.040 -3.236 -1.923) 3.905 8.064 ( 8.545 -18.467 10.246) 22.782 8.259 ( -3.257 -11.591 -0.137) 12.041 8.510 ( -2.777 10.578 2.751) 11.277 8.658 ( 1.932 6.230 -3.642) 7.471 9.416 ( -1.173 -9.292 3.631) 10.044 9.594 ( 0.289 -12.400 -4.453) 13.178 13.673 ( -4.893 22.358 5.024) 23.432 14.153 ( 12.776 35.686 -20.714) 43.194 15.341 ( -2.076 1.628 3.769) 4.600 15.493 ( -11.286 -0.417 -2.404) 11.546 17.077 ( 1.149 7.957 3.726) 8.861 17.343 ( -5.953 7.434 -9.739) 13.622 17.768 ( 3.289 9.231 -1.356) 9.893 17.872 ( -0.626 3.606 -4.000) 5.422 26.771 ( -0.182 2.091 0.547) 2.169 26.819 ( -0.115 2.578 -1.833) 3.165 26.977 ( 0.072 -1.740 0.377) 1.782 26.993 ( -0.250 -1.652 -0.283) 1.694 27.245 ( -0.036 1.377 1.507) 2.042 27.315 ( 0.066 1.195 -1.288) 1.758 27.331 ( -0.049 0.407 -0.113) 0.425 27.373 ( 0.062 2.450 -2.160) 3.267 34.841 ( 0.534 61.369 11.895) 62.513 36.391 ( -5.990 153.624 -85.763) 176.044 38.056 ( 3.222 5.468 0.214) 6.351 38.114 ( -0.356 3.759 -1.817) 4.190 38.372 ( -1.463 -3.426 8.175) 8.984 38.403 ( -3.486 -3.416 5.213) 7.141 39.319 ( 12.683 -21.065 10.633) 26.789 40.278 ( 0.256 3.966 -24.886) 25.201 41.547 ( 0.458 3.771 -0.963) 3.918 41.579 ( 0.731 3.097 -1.998) 3.758 42.276 ( -5.377 -9.899 5.178) 12.398 42.589 ( -6.970 0.426 -9.246) 11.587 44.565 ( 1.051 -2.022 0.885) 2.444 44.636 ( -0.270 -2.339 -2.373) 3.343 44.908 ( 6.820 6.371 0.056) 9.333 44.930 ( -4.200 6.083 -1.053) 7.467 45.625 ( 1.644 -0.939 4.131) 4.544 45.843 ( 2.363 -1.568 -2.378) 3.701 45.870 ( -0.901 -0.389 -1.199) 1.549 45.947 ( -3.567 -2.209 -7.454) 8.554 54.045 ( -7.611 4.259 -3.224) 9.299 54.155 ( 7.687 2.553 -10.434) 13.209 55.956 ( -4.021 9.603 18.438) 21.174 56.964 ( -22.315 -11.537 -27.553) 37.286 ======================= Grid point 138 (71/114) ======================= q-point: ( 0.08 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 8.816 10.014 13.572) 19.032 1.373 ( 8.363 14.711 14.931) 22.568 1.751 ( 5.275 5.638 -5.416) 9.431 1.917 ( 0.052 -0.778 -12.242) 12.267 2.027 ( 9.218 6.715 11.908) 16.488 2.080 ( -2.125 -1.308 16.153) 16.345 2.243 ( 7.861 -1.322 12.193) 14.568 2.408 ( 2.391 -3.150 -3.756) 5.454 2.731 ( -1.664 -6.289 1.359) 6.646 2.915 ( 2.096 5.307 -11.569) 12.899 3.068 ( 0.291 3.760 -5.953) 7.047 3.298 ( 5.512 -2.946 -9.545) 11.409 3.786 ( -1.586 4.272 -3.612) 5.815 3.846 ( 2.345 5.317 -2.920) 6.503 4.545 ( -7.806 -6.371 3.784) 10.763 4.603 ( -2.670 0.748 -1.063) 2.970 4.699 ( -1.742 -6.109 2.621) 6.872 4.845 ( -4.531 -3.377 -2.079) 6.021 5.001 ( 3.163 -1.059 -3.944) 5.166 5.037 ( 2.687 -2.101 1.351) 3.668 5.094 ( 2.811 -1.706 -0.499) 3.326 5.256 ( 2.378 -3.489 1.070) 4.356 5.362 ( -2.337 3.256 1.287) 4.210 5.448 ( -1.914 3.735 0.513) 4.228 5.482 ( 0.903 1.006 1.763) 2.222 5.521 ( 1.875 1.786 -1.295) 2.895 5.620 ( 0.542 3.354 2.099) 3.994 5.842 ( 1.572 -3.316 -2.964) 4.718 6.281 ( -3.520 -0.363 7.096) 7.930 6.555 ( -1.603 4.571 -2.810) 5.600 6.743 ( -4.839 -5.579 4.765) 8.788 6.949 ( -0.301 -6.510 -1.400) 6.665 7.054 ( -3.665 3.257 -4.847) 6.895 7.121 ( -0.793 3.841 0.842) 4.011 7.518 ( 2.202 5.342 2.290) 6.216 7.537 ( -0.407 -2.311 -1.437) 2.752 7.748 ( 2.373 -2.876 1.339) 3.962 7.767 ( -1.390 -1.691 -2.643) 3.432 8.010 ( -11.234 -13.781 0.401) 17.785 8.252 ( -1.320 -12.073 2.586) 12.417 8.515 ( 1.266 5.505 2.867) 6.335 8.693 ( 2.460 7.128 -2.435) 7.924 9.397 ( -1.759 -8.074 4.250) 9.292 9.581 ( -0.433 -12.560 -3.997) 13.188 13.549 ( -7.173 23.576 2.201) 24.741 14.248 ( 2.424 37.302 -20.975) 42.864 15.140 ( -11.522 -3.116 10.786) 16.088 15.422 ( -1.665 3.248 2.841) 4.625 17.128 ( 2.073 7.008 4.121) 8.390 17.238 ( -1.043 7.983 -4.553) 9.249 17.813 ( 2.486 2.827 -0.321) 3.778 17.912 ( 3.684 3.548 -6.289) 8.106 26.774 ( 0.305 1.992 0.701) 2.134 26.813 ( 0.138 2.413 -1.288) 2.739 26.972 ( -0.477 -1.595 0.351) 1.702 26.999 ( 0.665 -1.867 -0.313) 2.006 27.248 ( -0.103 1.402 1.485) 2.045 27.309 ( -0.208 1.322 -1.464) 1.984 27.325 ( -0.518 0.274 -0.069) 0.590 27.363 ( -0.361 1.964 -1.317) 2.392 34.881 ( -0.473 65.081 10.493) 65.923 35.760 ( -23.793 114.496 -41.799) 124.188 38.053 ( -1.084 2.398 -0.124) 2.635 38.123 ( 0.409 3.611 -2.127) 4.210 38.352 ( -2.067 -3.422 4.917) 6.337 38.368 ( -3.049 -4.234 9.636) 10.958 39.593 ( 7.627 -7.658 5.566) 12.157 40.468 ( 21.300 -9.678 -41.688) 47.804 41.533 ( -1.288 2.369 -0.997) 2.876 41.580 ( -0.205 4.444 -2.942) 5.334 42.164 ( -6.491 -10.650 6.292) 13.970 42.471 ( -5.381 -4.705 -2.995) 7.751 44.570 ( -1.050 -0.922 0.244) 1.419 44.617 ( -0.689 -3.008 -2.257) 3.823 44.824 ( -4.893 3.086 0.122) 5.786 45.031 ( 3.437 3.924 -4.668) 7.000 45.638 ( -1.321 -1.544 1.954) 2.819 45.792 ( -5.310 -0.171 -4.414) 6.908 45.884 ( 2.046 -1.101 -2.292) 3.264 45.909 ( 1.279 -0.385 -0.223) 1.354 53.911 ( -3.970 5.729 -3.441) 7.774 54.310 ( 9.840 -3.083 -8.255) 13.209 55.902 ( -7.689 9.368 22.857) 25.871 56.445 ( -20.288 -0.296 -5.177) 20.940 ======================= Grid point 139 (72/114) ======================= q-point: ( 0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 15.360 3.250 5.780) 16.730 1.635 ( 12.012 7.728 13.378) 19.570 1.833 ( 4.718 6.380 -5.061) 9.412 1.905 ( 3.508 4.160 -13.999) 15.020 2.060 ( 1.575 -0.509 6.048) 6.271 2.266 ( 6.961 -4.065 6.020) 10.061 2.417 ( -0.303 -3.538 1.515) 3.861 2.547 ( 11.892 -5.567 5.974) 14.426 2.777 ( 9.047 3.605 6.543) 11.733 2.954 ( 3.057 6.027 -3.934) 7.820 3.049 ( 0.842 5.937 -4.228) 7.337 3.363 ( 3.520 -1.903 -7.740) 8.713 3.733 ( -1.583 1.385 -3.515) 4.096 3.924 ( 4.887 2.494 -0.520) 5.511 4.384 ( -8.579 -2.973 3.521) 9.739 4.535 ( -4.270 -2.220 -0.660) 4.858 4.656 ( -4.023 -1.206 3.738) 5.623 4.766 ( -2.023 -2.650 -3.522) 4.849 4.976 ( -0.089 2.666 -0.815) 2.789 5.096 ( 0.141 -3.073 0.277) 3.089 5.133 ( -2.140 2.666 -0.418) 3.444 5.184 ( -7.248 3.000 4.249) 8.920 5.376 ( 2.274 -2.137 0.677) 3.194 5.425 ( -0.069 -1.180 -1.295) 1.753 5.521 ( 1.484 4.493 -1.161) 4.872 5.548 ( 2.754 1.673 0.593) 3.277 5.665 ( 2.578 1.632 0.859) 3.170 5.858 ( 0.477 -3.324 -3.101) 4.571 6.248 ( -1.434 -4.867 4.556) 6.819 6.491 ( -3.794 1.640 -2.680) 4.926 6.656 ( -4.751 -5.330 3.621) 8.006 6.904 ( -3.312 -0.048 -3.598) 4.890 7.000 ( -0.608 -5.305 -2.349) 5.834 7.061 ( -5.187 3.226 2.426) 6.572 7.511 ( -1.868 -6.010 -1.413) 6.450 7.551 ( -0.128 5.195 1.328) 5.363 7.728 ( -1.887 -1.350 -4.418) 4.990 7.747 ( -9.135 -8.849 -0.613) 12.733 7.813 ( -0.141 -1.463 0.583) 1.582 8.175 ( -6.066 -9.652 1.144) 11.457 8.521 ( -0.979 8.749 1.200) 8.885 8.731 ( 1.260 7.651 -0.653) 7.782 9.371 ( -2.296 -6.783 5.289) 8.902 9.551 ( -1.343 -11.410 -3.675) 12.062 13.441 ( -3.529 19.959 0.332) 20.271 14.169 ( -3.994 34.247 -12.538) 36.688 15.009 ( -5.836 -10.143 10.689) 15.849 15.364 ( -4.768 1.979 1.661) 5.423 17.170 ( 2.298 5.372 -0.571) 5.871 17.274 ( 3.433 7.190 3.189) 8.582 17.858 ( 2.157 -0.476 -4.226) 4.769 17.955 ( 1.891 1.941 -2.182) 3.479 26.786 ( 0.592 1.758 0.697) 1.982 26.817 ( 0.496 2.361 -0.698) 2.511 26.964 ( -0.440 -1.722 0.551) 1.861 27.009 ( 0.433 -1.987 -0.567) 2.111 27.249 ( -0.229 1.233 1.234) 1.759 27.299 ( -0.346 1.270 -1.270) 1.829 27.311 ( -0.720 0.062 -0.221) 0.755 27.352 ( -0.460 1.276 -0.402) 1.415 34.886 ( 0.118 62.443 1.103) 62.453 35.387 ( -7.060 79.104 -8.478) 79.870 38.033 ( -0.865 0.233 -1.207) 1.504 38.107 ( -1.376 2.066 -1.431) 2.865 38.314 ( -2.893 -2.264 3.380) 4.992 38.330 ( -3.682 -4.290 9.675) 11.205 39.717 ( 3.033 -13.231 11.128) 17.552 40.626 ( 5.736 -26.267 -49.117) 55.994 41.500 ( -1.575 1.213 -0.485) 2.046 41.553 ( -1.400 2.172 -2.332) 3.481 42.013 ( -10.008 -11.304 1.472) 15.170 42.318 ( -9.837 -9.194 3.229) 13.846 44.529 ( -2.594 1.257 -0.173) 2.888 44.592 ( -1.372 -2.321 -2.064) 3.395 44.744 ( -3.057 -0.593 0.303) 3.129 44.979 ( -6.453 -2.065 -4.725) 8.260 45.596 ( -2.155 0.205 -1.588) 2.685 45.696 ( -3.106 1.392 -0.575) 3.452 45.919 ( 1.868 -0.407 -0.764) 2.059 45.938 ( 0.814 -0.662 1.071) 1.499 53.880 ( 1.833 7.292 -2.479) 7.917 54.485 ( 9.223 -6.050 -7.055) 13.094 55.766 ( -13.204 11.276 24.682) 30.178 56.141 ( -10.038 2.608 1.756) 10.519 ======================= Grid point 140 (73/114) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 12.764 -0.240 -1.556) 12.861 1.865 ( 5.762 0.818 2.199) 6.222 1.922 ( 8.729 3.674 -2.722) 9.854 2.013 ( 8.441 8.650 -2.787) 12.404 2.168 ( 7.003 0.423 4.050) 8.101 2.365 ( -0.400 -4.438 -0.813) 4.530 2.384 ( -0.613 -3.154 4.227) 5.310 2.676 ( 3.845 -8.109 -3.175) 9.520 2.982 ( 1.754 8.007 0.821) 8.237 3.065 ( 6.259 4.455 0.480) 7.698 3.196 ( 17.704 3.495 6.633) 19.226 3.402 ( 2.672 -0.101 -2.469) 3.639 3.720 ( 1.190 0.034 0.030) 1.190 4.023 ( 4.369 -0.928 0.362) 4.481 4.233 ( -6.813 0.840 2.758) 7.398 4.455 ( -2.881 -1.846 -0.116) 3.423 4.541 ( -8.081 -0.182 4.106) 9.066 4.727 ( -0.934 -1.579 -5.417) 5.719 4.951 ( -8.618 2.030 0.407) 8.863 5.028 ( 2.681 5.783 -2.094) 6.709 5.061 ( -2.429 -1.146 0.517) 2.735 5.144 ( -1.638 3.433 4.887) 6.193 5.374 ( -1.719 -0.853 -1.170) 2.247 5.414 ( -1.519 1.294 -1.549) 2.526 5.553 ( 1.533 3.960 1.203) 4.413 5.634 ( 3.906 -1.490 -0.766) 4.250 5.712 ( 2.280 1.288 3.484) 4.358 5.831 ( -2.003 -0.412 -3.425) 3.989 6.231 ( -1.796 -6.448 1.127) 6.788 6.397 ( -4.305 -2.828 -2.826) 5.875 6.585 ( -2.697 -5.667 1.481) 6.449 6.821 ( -3.395 2.294 -3.729) 5.540 6.942 ( -6.299 3.917 2.345) 7.780 6.993 ( -0.695 -8.751 -0.676) 8.804 7.434 ( -6.267 -9.675 -2.393) 11.773 7.482 ( -7.441 -4.804 -1.078) 8.922 7.564 ( -2.982 3.776 0.346) 4.824 7.729 ( 0.354 -1.242 -1.103) 1.698 7.819 ( -0.944 -1.293 0.920) 1.846 8.039 ( -6.613 -8.121 -1.271) 10.549 8.504 ( -0.770 12.545 0.325) 12.573 8.730 ( -1.270 9.082 0.157) 9.172 9.333 ( -3.058 -5.800 5.778) 8.740 9.508 ( -1.710 -10.052 -3.674) 10.838 13.401 ( -0.822 15.748 -0.096) 15.769 14.039 ( -5.508 29.085 -7.719) 30.592 14.932 ( -5.156 -12.172 9.535) 16.299 15.249 ( -6.314 -0.773 -1.139) 6.462 17.232 ( 4.051 4.563 -1.583) 6.304 17.356 ( 3.083 5.788 4.590) 8.004 17.872 ( 1.034 -1.441 -6.289) 6.534 17.971 ( -0.393 0.101 1.472) 1.527 26.800 ( 0.586 1.470 0.565) 1.680 26.826 ( 0.519 2.325 -0.369) 2.411 26.957 ( -0.422 -1.766 0.750) 1.965 27.012 ( 0.049 -1.902 -0.733) 2.039 27.247 ( -0.328 0.937 0.861) 1.315 27.288 ( -0.352 1.279 -0.899) 1.602 27.296 ( -0.677 -0.286 -0.155) 0.751 27.341 ( -0.543 0.771 -0.097) 0.948 34.924 ( 3.835 51.552 -2.426) 51.752 35.317 ( -0.563 61.395 -0.020) 61.398 38.009 ( -1.013 -1.663 -2.232) 2.961 38.060 ( -3.077 -1.053 0.266) 3.263 38.266 ( -2.433 -0.206 1.704) 2.977 38.274 ( -4.391 -3.169 8.084) 9.730 39.771 ( -2.055 -21.368 15.040) 26.210 40.413 ( -11.056 -40.047 -45.384) 61.528 41.471 ( -1.265 0.540 0.108) 1.380 41.521 ( -1.022 -0.461 -1.528) 1.895 41.812 ( -9.162 -5.808 3.164) 11.299 42.102 ( -12.093 -9.174 4.766) 15.910 44.477 ( -2.266 2.323 0.051) 3.246 44.548 ( -2.237 -0.736 -2.007) 3.095 44.695 ( -2.151 -2.542 0.369) 3.350 44.815 ( -7.286 -2.889 -1.261) 7.938 45.557 ( -1.230 1.764 -1.271) 2.498 45.650 ( -1.763 0.866 0.521) 2.032 45.942 ( -0.253 -0.499 0.448) 0.717 45.948 ( 0.691 -0.434 -0.017) 0.816 53.957 ( 5.932 8.884 -1.645) 10.808 54.617 ( 5.170 -3.632 -6.239) 8.880 55.537 ( -14.939 9.890 22.821) 29.013 56.002 ( -5.292 0.264 0.080) 5.299 ======================= Grid point 141 (74/114) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 5.230 1.085 -5.916) 7.971 2.015 ( 9.698 -1.321 0.074) 9.788 2.103 ( 7.163 -1.273 1.517) 7.431 2.144 ( 3.893 6.239 0.012) 7.353 2.320 ( -1.593 -3.078 1.086) 3.632 2.335 ( 7.813 0.020 2.258) 8.133 2.394 ( 0.026 0.456 2.111) 2.160 2.689 ( -2.684 -8.036 -4.009) 9.373 3.055 ( 5.336 8.042 1.031) 9.706 3.137 ( 2.135 6.397 2.120) 7.070 3.425 ( 3.647 -0.998 4.079) 5.562 3.623 ( 15.978 -0.955 1.941) 16.124 3.783 ( 4.474 -1.138 2.962) 5.485 4.051 ( -3.054 -3.448 3.540) 5.809 4.173 ( 1.273 4.079 0.742) 4.337 4.377 ( -7.513 4.266 3.193) 9.211 4.434 ( -0.418 -1.650 0.592) 1.802 4.682 ( -1.760 -1.741 -7.791) 8.175 4.827 ( -2.561 3.163 -0.940) 4.177 4.984 ( -2.749 -2.005 1.980) 3.937 5.102 ( -1.342 1.620 1.214) 2.429 5.145 ( 3.389 5.663 1.412) 6.749 5.334 ( -0.936 3.130 -3.128) 4.523 5.359 ( -3.424 0.415 -0.105) 3.451 5.556 ( -1.679 6.333 1.971) 6.842 5.642 ( -1.956 0.345 -1.768) 2.658 5.752 ( -1.403 -0.652 -2.477) 2.920 5.834 ( 4.221 -1.273 4.224) 6.106 6.175 ( -2.827 -2.968 -3.580) 5.443 6.310 ( -3.803 -8.141 -0.852) 9.026 6.564 ( 0.468 -6.739 -0.249) 6.760 6.760 ( -1.357 2.948 -2.734) 4.243 6.823 ( -5.868 4.607 1.836) 7.683 6.964 ( -2.339 -8.064 -0.224) 8.399 7.258 ( -8.055 -7.046 -2.533) 10.997 7.343 ( -7.168 -9.824 0.760) 12.185 7.547 ( 0.432 4.123 1.002) 4.265 7.727 ( -0.454 -1.492 -0.577) 1.662 7.774 ( -3.498 -1.506 1.186) 3.989 7.924 ( -4.065 -5.938 -2.875) 7.749 8.495 ( -0.114 13.456 -0.317) 13.460 8.683 ( -3.268 9.926 0.347) 10.456 9.284 ( -3.311 -5.500 5.581) 8.506 9.465 ( -1.333 -9.268 -3.950) 10.163 13.398 ( 0.505 14.129 0.218) 14.139 13.904 ( -5.771 24.920 -5.927) 26.258 14.856 ( -4.881 -11.192 8.784) 15.042 15.120 ( -5.385 -3.720 -3.253) 7.309 17.319 ( 4.862 3.784 -1.776) 6.412 17.420 ( 1.948 4.101 3.825) 5.937 17.871 ( 0.780 -1.608 -5.237) 5.533 17.946 ( -2.616 -0.763 2.377) 3.616 26.812 ( 0.381 1.251 0.415) 1.372 26.834 ( 0.329 2.233 -0.228) 2.269 26.952 ( -0.321 -1.711 0.858) 1.941 27.008 ( -0.201 -1.767 -0.830) 1.963 27.242 ( -0.294 0.689 0.595) 0.957 27.278 ( -0.453 1.126 -0.611) 1.358 27.286 ( -0.308 -0.337 0.017) 0.457 27.330 ( -0.567 0.415 -0.116) 0.712 35.006 ( 4.347 42.707 -1.572) 42.957 35.321 ( 0.574 50.290 -1.380) 50.313 37.978 ( -1.265 -3.688 -2.509) 4.637 37.989 ( -4.122 -4.968 1.915) 6.734 38.206 ( -4.377 -1.766 7.369) 8.751 38.233 ( -0.670 2.363 -1.594) 2.928 39.712 ( -7.973 -27.153 14.269) 31.694 40.020 ( -13.428 -44.412 -31.525) 56.094 41.449 ( -0.855 0.401 0.348) 1.006 41.505 ( -0.166 -1.699 -1.211) 2.093 41.680 ( -5.021 -1.410 3.601) 6.338 41.886 ( -9.796 -6.132 2.876) 11.910 44.441 ( -1.316 2.440 0.260) 2.785 44.497 ( -2.166 0.657 -1.273) 2.597 44.656 ( -1.802 -2.879 0.436) 3.424 44.700 ( -4.043 -2.443 0.218) 4.729 45.537 ( -0.518 1.855 -0.323) 1.953 45.623 ( -1.158 0.437 0.371) 1.292 45.928 ( -0.987 -0.099 0.508) 1.115 45.955 ( 0.033 -0.573 -0.568) 0.807 54.090 ( 7.216 9.747 -1.158) 12.183 54.633 ( -2.319 4.630 -3.825) 6.438 55.362 ( -7.309 3.131 16.692) 18.489 55.899 ( -4.767 -3.080 -2.006) 6.019 ======================= Grid point 142 (75/114) ======================= q-point: ( 0.42 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 4.160 0.015 -3.584) 5.491 2.121 ( -2.903 1.010 -0.119) 3.076 2.188 ( 5.204 -2.200 0.116) 5.651 2.263 ( 6.390 -0.161 2.105) 6.729 2.310 ( -0.168 -0.644 1.145) 1.324 2.420 ( 2.087 1.565 2.422) 3.560 2.477 ( 5.033 -2.067 1.678) 5.694 2.570 ( -6.381 -4.298 -0.349) 7.702 3.140 ( 0.600 4.985 3.957) 6.393 3.210 ( 5.841 7.245 -1.961) 9.511 3.508 ( 2.415 -1.403 8.374) 8.827 3.844 ( 6.258 -0.712 -1.304) 6.432 3.894 ( 3.294 -2.167 0.223) 3.949 4.014 ( 0.273 -0.132 3.963) 3.974 4.214 ( 1.064 3.042 0.303) 3.237 4.269 ( -3.122 1.522 5.278) 6.318 4.436 ( -0.391 4.053 -0.901) 4.171 4.629 ( -0.638 -0.597 -8.289) 8.335 4.832 ( 2.866 1.986 -0.931) 3.609 4.953 ( -1.422 -3.525 2.663) 4.641 5.064 ( -2.019 0.868 2.368) 3.231 5.192 ( 0.226 1.769 1.532) 2.351 5.283 ( -3.544 0.222 -1.160) 3.736 5.330 ( 0.729 4.450 -3.731) 5.853 5.532 ( -0.328 7.435 1.117) 7.526 5.572 ( -3.718 1.954 -1.278) 4.390 5.728 ( 0.472 1.149 -2.299) 2.614 5.899 ( -0.093 -2.502 1.556) 2.948 6.136 ( 0.885 -2.025 -3.502) 4.141 6.237 ( -3.066 -9.277 -0.226) 9.773 6.595 ( 2.438 -8.059 -0.717) 8.450 6.719 ( -4.571 3.394 0.979) 5.776 6.756 ( 1.272 3.594 -1.099) 3.968 6.892 ( -4.642 -5.842 -0.009) 7.462 7.131 ( -3.513 -6.341 -0.983) 7.315 7.206 ( -5.929 -9.450 0.941) 11.195 7.583 ( 2.693 1.843 0.977) 3.406 7.698 ( -3.381 -1.311 1.030) 3.770 7.713 ( -1.299 -1.035 -0.220) 1.675 7.849 ( -2.676 -4.209 -2.929) 5.784 8.499 ( 0.760 12.957 -0.502) 12.989 8.608 ( -3.935 10.074 0.036) 10.815 9.239 ( -2.679 -5.879 5.310) 8.363 9.433 ( -0.451 -9.063 -4.269) 10.029 13.424 ( 1.845 14.295 1.178) 14.461 13.773 ( -5.460 21.967 -5.494) 23.293 14.797 ( -3.153 -9.295 7.509) 12.358 15.026 ( -2.521 -5.707 -3.864) 7.339 17.413 ( 4.734 2.712 -1.624) 5.693 17.451 ( 0.186 2.734 2.113) 3.460 17.867 ( -2.450 -1.276 1.867) 3.335 17.900 ( 0.255 -0.962 -2.812) 2.983 26.819 ( 0.187 1.191 0.360) 1.258 26.838 ( 0.089 2.057 -0.235) 2.072 26.950 ( -0.119 -1.620 0.907) 1.860 27.001 ( -0.220 -1.700 -0.894) 1.933 27.239 ( -0.145 0.640 0.526) 0.841 27.268 ( -0.327 0.782 -0.516) 0.992 27.284 ( 0.086 -0.147 0.207) 0.268 27.318 ( -0.527 0.211 -0.256) 0.623 35.078 ( 2.836 38.709 0.081) 38.813 35.315 ( -0.548 41.794 -4.059) 41.994 37.912 ( -4.059 -8.018 2.902) 9.444 37.947 ( -1.038 -5.419 -1.809) 5.806 38.147 ( -3.287 0.518 5.638) 6.547 38.235 ( 1.722 3.432 -3.419) 5.141 39.558 ( -10.015 -29.010 10.236) 32.352 39.772 ( -2.413 -43.265 -18.591) 47.152 41.440 ( -0.259 0.401 0.636) 0.796 41.502 ( 0.031 -1.808 -1.271) 2.211 41.620 ( -2.094 -0.382 3.237) 3.874 41.739 ( -5.211 -3.276 1.203) 6.272 44.425 ( -0.445 2.185 0.411) 2.267 44.459 ( -1.198 1.361 -0.612) 1.914 44.627 ( -1.111 -2.569 0.550) 2.853 44.644 ( -1.758 -2.347 0.218) 2.940 45.535 ( 0.319 1.544 0.430) 1.635 45.603 ( -0.927 0.323 -0.019) 0.982 45.911 ( -0.710 0.185 0.410) 0.841 45.949 ( -0.378 -0.586 -0.832) 1.086 54.231 ( 6.819 9.723 -0.638) 11.893 54.526 ( -6.387 11.979 -1.403) 13.648 55.337 ( -0.088 -2.886 11.376) 11.737 55.800 ( -3.845 -5.337 -3.907) 7.650 ======================= Grid point 143 (76/114) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -4.659 -0.016 -1.009) 4.767 2.052 ( 4.147 0.281 -1.880) 4.562 2.217 ( -5.482 -1.839 1.570) 5.991 2.270 ( 3.526 -2.828 -0.561) 4.555 2.412 ( 3.059 0.702 3.161) 4.455 2.443 ( -2.290 0.117 1.983) 3.031 2.499 ( 0.082 -1.857 3.011) 3.538 2.548 ( 1.472 -2.062 0.891) 2.686 3.147 ( -0.179 4.408 3.054) 5.366 3.307 ( 3.915 5.095 -4.047) 7.594 3.557 ( -0.314 -0.659 9.481) 9.509 3.859 ( -2.492 -0.717 -2.992) 3.959 3.973 ( 3.610 1.542 3.645) 5.357 4.040 ( 1.310 -0.790 -1.337) 2.031 4.218 ( -0.147 4.775 2.567) 5.423 4.275 ( 0.346 -1.686 3.784) 4.157 4.387 ( -4.044 6.413 -0.756) 7.619 4.605 ( 0.420 -0.081 -7.776) 7.788 4.907 ( -0.994 -0.926 1.677) 2.158 4.928 ( 3.036 -1.338 0.191) 3.323 5.061 ( 1.474 0.874 3.061) 3.508 5.186 ( -0.566 1.359 0.461) 1.542 5.215 ( -2.698 0.032 -1.187) 2.948 5.322 ( -0.359 0.136 -3.989) 4.008 5.475 ( -3.946 5.387 1.915) 6.947 5.578 ( 2.492 6.601 -1.056) 7.134 5.769 ( 3.838 0.625 -1.261) 4.088 5.853 ( -2.616 -0.736 -2.717) 3.842 6.149 ( -1.579 -6.273 0.414) 6.482 6.211 ( 2.076 -5.369 -2.170) 6.152 6.644 ( -0.099 -2.588 -0.014) 2.590 6.659 ( 1.460 -4.399 -0.333) 4.646 6.779 ( -2.276 -3.000 0.864) 3.864 6.810 ( 0.412 2.236 -0.473) 2.323 7.118 ( 1.655 -6.584 0.368) 6.799 7.128 ( -1.384 -8.000 0.113) 8.119 7.636 ( -0.712 0.036 0.716) 1.010 7.661 ( 2.794 0.092 0.258) 2.808 7.694 ( -0.708 -0.860 1.053) 1.532 7.795 ( -1.839 -3.336 -2.892) 4.783 8.525 ( 1.576 12.115 0.128) 12.217 8.537 ( -2.497 10.306 -0.437) 10.614 9.213 ( -1.303 -6.522 5.276) 8.489 9.423 ( 0.760 -8.916 -4.293) 9.925 13.479 ( 2.949 15.083 2.623) 15.590 13.657 ( -4.161 20.126 -5.711) 21.330 14.781 ( -0.389 -7.323 6.322) 9.682 15.003 ( 1.586 -7.074 -3.977) 8.268 17.428 ( -2.463 2.357 1.200) 3.614 17.506 ( 4.472 1.531 -2.408) 5.304 17.790 ( -4.846 0.536 3.744) 6.147 17.942 ( 3.808 -1.951 -3.215) 5.352 26.822 ( 0.052 1.245 0.387) 1.305 26.837 ( -0.068 1.913 -0.287) 1.936 26.953 ( 0.093 -1.559 0.943) 1.824 26.995 ( -0.023 -1.736 -0.960) 1.983 27.239 ( -0.054 0.793 0.541) 0.962 27.264 ( 0.104 0.661 -0.559) 0.872 27.290 ( 0.412 -0.177 0.393) 0.596 27.308 ( -0.395 0.141 -0.416) 0.590 35.123 ( 1.497 39.548 1.482) 39.605 35.271 ( -2.467 36.344 -5.230) 36.801 37.847 ( -3.186 -10.742 3.453) 11.724 37.934 ( 0.299 -4.657 -0.688) 4.717 38.111 ( -1.586 2.282 3.551) 4.509 38.279 ( 3.415 3.726 -3.485) 6.140 39.404 ( -7.037 -27.690 6.077) 29.209 39.834 ( 13.375 -44.302 -13.663) 48.252 41.441 ( 0.077 0.389 0.933) 1.014 41.494 ( -0.451 -1.298 -1.340) 1.919 41.617 ( 0.932 -0.900 3.393) 3.632 41.680 ( -0.946 -1.873 0.334) 2.125 44.424 ( 0.214 1.937 0.494) 2.011 44.444 ( -0.172 1.625 -0.469) 1.700 44.616 ( -0.162 -2.185 0.661) 2.288 44.627 ( 0.063 -2.504 0.065) 2.506 45.553 ( 1.161 1.093 0.879) 1.821 45.584 ( -0.821 0.617 -0.515) 1.149 45.905 ( -0.058 0.223 0.563) 0.608 45.938 ( -0.316 -0.494 -0.938) 1.106 54.358 ( 5.420 8.739 0.491) 10.295 54.396 ( -5.381 14.860 -1.623) 15.888 55.399 ( 2.710 -4.778 9.755) 11.196 55.734 ( -0.845 -5.665 -5.477) 7.925 ======================= Grid point 144 (77/114) ======================= q-point: (-0.42 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -7.150 -0.243 -0.986) 7.222 2.109 ( -1.682 -2.970 1.019) 3.562 2.163 ( 2.816 2.023 -0.416) 3.492 2.308 ( -8.488 -0.162 0.996) 8.548 2.340 ( 0.370 -1.227 -0.052) 1.283 2.452 ( 1.785 1.248 0.929) 2.368 2.508 ( -1.169 -2.554 0.391) 2.836 2.567 ( 0.578 -2.450 0.372) 2.545 3.142 ( -2.012 3.642 1.742) 4.511 3.315 ( -2.995 3.807 -2.292) 5.359 3.570 ( -0.577 0.274 8.892) 8.915 3.747 ( -8.294 -0.423 -3.977) 9.208 4.012 ( -0.038 -1.335 0.138) 1.342 4.086 ( 1.892 -0.202 1.329) 2.321 4.203 ( -1.565 1.274 4.699) 5.114 4.298 ( -0.270 5.084 3.030) 5.925 4.309 ( -0.527 4.742 -0.063) 4.772 4.593 ( 0.522 -2.179 -6.117) 6.515 4.866 ( -0.196 3.180 -2.754) 4.211 4.994 ( 1.038 -2.587 2.472) 3.725 5.109 ( -0.955 0.338 1.182) 1.557 5.188 ( 1.002 2.991 1.713) 3.589 5.212 ( 5.376 1.981 0.352) 5.740 5.279 ( -2.669 -2.028 -2.870) 4.413 5.445 ( 0.793 8.151 -0.098) 8.190 5.612 ( 0.640 5.127 1.666) 5.428 5.762 ( -2.753 -0.802 -2.780) 3.994 5.906 ( 6.431 -2.797 -0.809) 7.060 6.093 ( -2.900 -4.786 -1.150) 5.713 6.260 ( 2.419 -5.367 -1.041) 5.978 6.637 ( 1.232 -3.655 -2.533) 4.614 6.722 ( -1.612 1.275 0.209) 2.066 6.741 ( 4.856 -4.954 0.703) 6.973 6.861 ( 2.740 -1.314 0.767) 3.134 7.121 ( 1.624 -6.385 -0.432) 6.603 7.213 ( 6.285 -7.675 0.487) 9.932 7.629 ( 0.547 0.272 -0.348) 0.703 7.691 ( 0.015 -0.191 2.327) 2.335 7.742 ( 3.967 -1.953 0.311) 4.432 7.757 ( -0.772 -2.314 -2.751) 3.677 8.501 ( -0.292 10.591 -0.787) 10.624 8.575 ( 2.549 12.126 1.298) 12.459 9.220 ( 0.451 -6.995 5.333) 8.807 9.440 ( 2.181 -8.476 -3.956) 9.605 13.541 ( 0.966 17.933 0.948) 17.984 13.589 ( 0.371 17.418 -2.915) 17.664 14.818 ( 2.130 -5.458 5.688) 8.166 15.069 ( 6.120 -8.385 -4.311) 11.240 17.361 ( -4.204 3.093 0.499) 5.243 17.580 ( 3.559 0.150 -3.212) 4.796 17.706 ( -4.453 2.837 3.926) 6.579 18.020 ( 4.440 -2.420 -2.725) 5.744 26.822 ( -0.229 1.372 0.374) 1.441 26.835 ( -0.006 1.892 -0.263) 1.911 26.959 ( 0.210 -1.585 0.959) 1.865 26.995 ( 0.276 -1.851 -1.029) 2.135 27.239 ( -0.113 0.913 0.508) 1.051 27.270 ( 0.648 0.710 -0.560) 1.112 27.300 ( -0.109 -0.007 -0.424) 0.438 27.302 ( 0.620 0.021 0.365) 0.720 35.145 ( -0.627 45.115 0.090) 45.119 35.196 ( -2.354 34.972 -2.482) 35.139 37.807 ( -1.744 -12.268 3.801) 12.961 37.954 ( 1.691 -2.400 0.093) 2.938 38.108 ( 0.531 2.525 2.362) 3.498 38.342 ( 3.401 3.624 -2.280) 5.468 39.324 ( -2.182 -25.446 3.447) 25.771 40.204 ( 26.313 -47.333 -17.889) 57.034 41.447 ( 0.221 0.358 0.921) 1.013 41.479 ( -0.451 -0.568 -1.101) 1.319 41.680 ( 3.787 -2.460 2.090) 4.976 41.710 ( 4.966 -2.393 1.654) 5.755 44.436 ( 0.758 1.824 0.548) 2.050 44.448 ( 0.760 1.742 -0.734) 2.037 44.625 ( 0.898 -2.285 0.596) 2.527 44.646 ( 1.692 -2.613 0.178) 3.118 45.567 ( -0.538 1.236 -0.853) 1.595 45.586 ( 1.718 0.668 0.819) 2.017 45.911 ( 0.418 0.089 0.740) 0.855 45.934 ( 0.176 -0.404 -0.701) 0.828 54.284 ( -4.387 15.009 -3.203) 15.962 54.466 ( 4.018 7.007 1.870) 8.291 55.496 ( 3.977 -4.727 9.621) 11.434 55.757 ( 5.374 -3.728 -6.088) 8.935 ======================= Grid point 145 (78/114) ======================= q-point: (-0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -11.101 1.459 0.363) 11.202 2.000 ( -13.675 0.824 1.079) 13.742 2.129 ( -1.752 0.152 0.930) 1.989 2.225 ( 0.848 1.709 -2.767) 3.361 2.327 ( -2.374 -3.474 0.223) 4.214 2.452 ( -2.977 -1.494 -2.148) 3.963 2.525 ( 5.289 -1.051 -4.065) 6.753 2.591 ( 1.425 -2.133 1.059) 2.775 3.068 ( -4.859 4.896 1.422) 7.043 3.166 ( -10.825 4.204 1.356) 11.692 3.462 ( -18.544 1.321 -0.234) 18.593 3.578 ( -2.496 -1.834 5.350) 6.182 3.958 ( -4.135 -2.151 -2.647) 5.360 4.096 ( -1.256 0.959 2.119) 2.643 4.248 ( 4.398 5.040 -1.715) 6.905 4.303 ( 2.844 1.779 9.119) 9.717 4.378 ( 3.895 1.414 0.139) 4.146 4.610 ( 3.591 -5.356 -4.743) 8.005 4.897 ( 3.974 5.396 -4.934) 8.321 4.990 ( -2.416 0.802 3.607) 4.415 5.073 ( -0.656 -0.746 0.244) 1.023 5.219 ( -1.093 0.018 0.611) 1.252 5.242 ( 2.442 4.618 -1.067) 5.331 5.353 ( 5.735 2.030 0.912) 6.152 5.488 ( 3.222 5.947 0.616) 6.792 5.616 ( -0.844 3.654 2.840) 4.704 5.702 ( -2.588 -0.101 -1.059) 2.798 5.957 ( -2.620 -4.498 -0.275) 5.213 6.105 ( 5.704 -6.582 -2.303) 9.009 6.305 ( 2.603 -4.533 -0.427) 5.244 6.675 ( 3.016 -3.981 -3.983) 6.388 6.712 ( 1.192 2.701 -1.203) 3.188 6.854 ( 4.963 -10.046 1.779) 11.345 6.920 ( 3.443 1.760 0.265) 3.876 7.183 ( 4.296 -4.453 0.298) 6.195 7.353 ( 6.699 -7.924 0.073) 10.376 7.640 ( 0.414 0.662 -2.388) 2.512 7.702 ( 0.106 -1.707 2.854) 3.328 7.740 ( 0.327 -0.778 -1.040) 1.340 7.839 ( 5.314 -2.878 0.886) 6.108 8.518 ( 2.081 10.836 -1.526) 11.139 8.627 ( 1.821 12.439 2.547) 12.827 9.262 ( 1.980 -7.377 5.207) 9.244 9.486 ( 3.326 -8.087 -3.590) 9.453 13.527 ( 0.555 21.220 -5.935) 22.042 13.647 ( 2.927 15.822 4.818) 16.797 14.896 ( 3.881 -3.718 5.251) 7.514 15.220 ( 9.914 -9.389 -4.695) 14.439 17.269 ( -4.757 4.101 0.421) 6.295 17.624 ( 1.714 2.354 -5.367) 6.106 17.640 ( -3.101 2.580 5.199) 6.580 18.095 ( 3.640 -2.342 -3.242) 5.408 26.815 ( -0.524 1.527 0.348) 1.652 26.835 ( 0.024 2.052 -0.272) 2.070 26.966 ( 0.190 -1.742 0.899) 1.970 27.000 ( 0.496 -1.982 -1.044) 2.294 27.238 ( -0.142 0.914 0.570) 1.086 27.285 ( 0.951 1.003 -0.666) 1.534 27.299 ( 0.160 -0.009 -0.537) 0.561 27.318 ( 0.803 0.240 0.383) 0.921 35.054 ( -5.553 39.620 -4.160) 40.223 35.221 ( 3.166 54.502 2.793) 54.665 37.801 ( -0.019 -12.305 4.134) 12.981 37.997 ( 2.333 0.047 0.412) 2.369 38.147 ( 2.468 1.488 2.572) 3.863 38.397 ( 2.389 2.758 -0.596) 3.697 39.328 ( 1.227 -23.588 2.980) 23.807 40.675 ( 23.089 -41.722 -26.596) 54.600 41.456 ( 0.510 0.395 0.583) 0.870 41.477 ( 0.701 -0.061 -0.875) 1.123 41.772 ( 5.900 -2.000 -0.729) 6.272 41.954 ( 19.583 -13.956 0.794) 24.060 44.456 ( 1.067 1.581 0.450) 1.960 44.474 ( 2.196 1.689 -1.256) 3.042 44.654 ( 1.658 -2.696 0.592) 3.220 44.696 ( 3.231 -2.692 0.329) 4.218 45.556 ( -0.162 2.042 -1.100) 2.325 45.626 ( 2.024 0.316 0.409) 2.089 45.922 ( 0.347 -0.077 0.664) 0.753 45.944 ( 1.037 -0.561 -0.137) 1.187 54.195 ( -3.137 14.851 -5.906) 16.288 54.518 ( 0.070 3.004 2.781) 4.094 55.627 ( 6.065 -2.062 10.264) 12.099 55.936 ( 14.727 -1.540 -6.274) 16.082 ======================= Grid point 146 (79/114) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -13.917 5.704 4.267) 15.634 1.687 ( -16.391 7.112 2.466) 18.037 2.047 ( -7.259 2.295 1.204) 7.708 2.202 ( -3.459 -3.986 -3.221) 6.182 2.298 ( -1.130 -5.020 -1.282) 5.303 2.389 ( -0.481 0.661 -6.597) 6.647 2.589 ( -2.289 -2.714 3.187) 4.771 2.630 ( 5.083 -4.352 -7.619) 10.140 2.924 ( -13.886 4.650 4.387) 15.286 2.997 ( -6.671 8.374 1.573) 10.821 3.049 ( -14.723 3.395 7.443) 16.843 3.486 ( -7.389 -2.389 -1.294) 7.873 3.861 ( -4.071 0.702 -4.112) 5.828 4.061 ( -2.107 1.586 -0.953) 2.804 4.351 ( 6.440 2.223 -0.892) 6.871 4.426 ( 3.966 0.520 5.036) 6.431 4.457 ( 5.492 -2.837 2.618) 6.713 4.719 ( 7.531 -7.627 -3.955) 11.424 4.912 ( -3.242 3.344 2.849) 5.460 5.012 ( 5.956 3.978 -3.333) 7.900 5.088 ( 1.317 0.410 0.214) 1.396 5.211 ( 0.709 -1.338 1.229) 1.951 5.307 ( 3.134 8.009 2.165) 8.869 5.413 ( 0.733 0.678 -2.035) 2.267 5.542 ( -0.566 0.845 1.791) 2.060 5.594 ( -1.962 2.719 1.196) 3.560 5.664 ( -0.042 1.159 1.804) 2.145 5.885 ( -3.301 -1.712 -2.449) 4.453 6.220 ( 5.011 -9.393 1.423) 10.741 6.373 ( 4.526 -2.566 -2.787) 5.902 6.721 ( 3.299 0.868 -1.562) 3.752 6.776 ( 4.989 -2.575 -3.694) 6.721 6.904 ( -0.155 -12.969 3.766) 13.505 7.033 ( 6.934 3.471 -1.788) 7.957 7.283 ( 4.827 -3.003 2.117) 6.066 7.458 ( 3.393 -4.338 -0.006) 5.507 7.625 ( -0.830 3.529 -2.758) 4.555 7.712 ( 0.178 -4.640 0.849) 4.720 7.763 ( 1.674 -0.500 1.710) 2.444 7.973 ( 7.659 -4.188 1.639) 8.882 8.564 ( 2.755 10.149 -2.494) 10.808 8.655 ( -0.096 12.429 3.370) 12.879 9.325 ( 2.565 -8.003 4.783) 9.670 9.544 ( 3.220 -8.406 -3.640) 9.710 13.546 ( 3.390 24.033 -7.749) 25.478 13.717 ( 2.239 17.074 6.813) 18.518 15.003 ( 5.246 -1.879 4.452) 7.133 15.427 ( 11.515 -9.867 -5.182) 16.025 17.178 ( -4.315 5.199 0.723) 6.795 17.602 ( -1.190 10.101 3.088) 10.630 17.626 ( -0.638 -2.290 -4.437) 5.034 18.137 ( 1.417 -1.676 -4.711) 5.197 26.804 ( -0.684 1.679 0.395) 1.855 26.833 ( -0.078 2.404 -0.504) 2.457 26.971 ( 0.075 -1.992 0.746) 2.129 27.007 ( 0.451 -2.098 -0.988) 2.362 27.237 ( -0.105 0.944 0.776) 1.227 27.300 ( 0.583 0.987 -0.832) 1.417 27.306 ( 0.758 0.181 -0.551) 0.954 27.336 ( 0.892 0.866 0.103) 1.247 34.930 ( -5.199 43.064 -2.892) 43.473 35.341 ( 9.060 76.774 -0.278) 77.308 37.830 ( 1.502 -10.956 4.439) 11.916 38.046 ( 2.318 1.957 0.279) 3.046 38.217 ( 3.299 0.034 3.964) 5.157 38.434 ( 1.216 1.239 0.954) 1.980 39.370 ( 1.302 -22.800 3.730) 23.140 40.892 ( 6.850 -24.949 -27.713) 37.912 41.471 ( 0.877 0.616 0.301) 1.113 41.503 ( 1.960 0.189 -1.163) 2.287 41.919 ( 8.816 -2.615 -1.498) 9.317 42.472 ( 29.850 -29.330 -14.935) 44.433 44.481 ( 1.311 0.882 0.296) 1.607 44.530 ( 3.678 1.091 -2.294) 4.470 44.693 ( 1.932 -3.107 0.578) 3.704 44.781 ( 5.237 -2.304 0.155) 5.724 45.552 ( -0.024 2.598 -1.136) 2.835 45.672 ( 2.612 -0.080 -0.219) 2.623 45.926 ( -0.208 -0.141 0.373) 0.450 45.975 ( 1.973 -1.458 -0.173) 2.459 54.122 ( -1.817 13.930 -9.166) 16.774 54.480 ( -4.409 -0.276 2.464) 5.058 55.783 ( 5.620 3.345 10.728) 12.564 56.336 ( 26.869 -3.242 -8.442) 28.350 ======================= Grid point 147 (80/114) ======================= q-point: (-0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -10.217 12.630 11.355) 19.820 1.376 ( -15.117 13.250 5.907) 20.951 1.882 ( -8.733 7.320 -2.272) 11.619 2.093 ( -6.231 -5.867 4.525) 9.681 2.199 ( -7.136 -2.341 -5.294) 9.189 2.325 ( -9.474 -1.775 2.586) 9.980 2.476 ( -10.159 3.889 2.848) 11.245 2.582 ( -9.608 0.069 2.179) 9.852 2.718 ( 2.224 -7.546 3.930) 8.794 2.881 ( 2.244 0.376 -6.888) 7.254 3.053 ( 2.477 6.403 2.948) 7.471 3.292 ( -9.489 -0.636 -8.597) 12.820 3.782 ( -2.265 3.372 -3.664) 5.470 4.010 ( -2.109 3.523 -3.580) 5.447 4.468 ( 3.540 -1.013 2.768) 4.607 4.534 ( 8.421 -0.810 -0.751) 8.493 4.592 ( 5.521 -5.912 2.806) 8.562 4.828 ( 1.695 -4.696 -3.720) 6.227 4.863 ( -0.591 -1.801 3.119) 3.650 5.106 ( 0.703 -2.332 0.161) 2.441 5.127 ( 4.249 5.653 -1.006) 7.142 5.261 ( 3.525 -0.410 1.987) 4.067 5.356 ( -1.040 2.152 2.576) 3.514 5.384 ( -1.425 -0.912 -1.474) 2.244 5.493 ( -2.583 2.153 0.436) 3.390 5.547 ( -2.049 3.175 -0.255) 3.787 5.696 ( 0.561 1.233 3.491) 3.745 5.817 ( -1.981 -0.002 -5.423) 5.774 6.306 ( 2.324 -4.892 5.800) 7.936 6.461 ( 5.338 -0.450 -5.933) 7.994 6.811 ( 5.089 -1.786 -0.165) 5.395 6.861 ( 3.242 -5.153 -2.313) 6.512 6.905 ( 0.745 -7.665 2.567) 8.118 7.154 ( 5.014 2.576 -1.998) 5.980 7.377 ( 3.278 -4.033 3.704) 6.382 7.510 ( 2.501 0.905 2.339) 3.542 7.602 ( -0.801 6.490 -0.696) 6.577 7.716 ( 0.582 -6.373 0.826) 6.453 7.805 ( 1.797 -1.530 0.604) 2.436 8.145 ( 7.949 -6.865 2.052) 10.702 8.605 ( 1.901 8.455 -2.969) 9.161 8.642 ( -2.077 11.659 3.489) 12.346 9.384 ( 1.791 -8.939 4.166) 10.024 9.585 ( 1.855 -9.566 -4.121) 10.580 13.619 ( 5.955 26.710 -8.226) 28.575 13.787 ( 3.311 20.934 5.884) 21.996 15.133 ( 6.317 0.155 3.334) 7.145 15.624 ( 8.696 -10.224 -6.657) 14.982 17.105 ( -3.013 6.218 1.253) 7.023 17.574 ( -2.645 1.356 -7.364) 7.942 17.613 ( 1.297 10.192 3.782) 10.948 18.111 ( -2.605 -0.040 -6.719) 7.207 26.790 ( -0.729 1.854 0.404) 2.033 26.829 ( -0.075 2.798 -0.922) 2.947 26.973 ( -0.051 -2.184 0.542) 2.251 27.010 ( 0.074 -2.146 -0.869) 2.317 27.239 ( -0.050 1.044 1.053) 1.484 27.307 ( 0.458 0.560 -0.722) 1.022 27.320 ( 0.716 0.759 -0.780) 1.303 27.355 ( 0.959 1.690 -0.555) 2.021 34.841 ( -3.067 48.949 0.350) 49.047 35.634 ( 23.340 110.341 -13.919) 113.639 37.884 ( 2.401 -8.441 4.573) 9.896 38.089 ( 1.886 3.216 -0.298) 3.740 38.294 ( 2.658 -1.238 5.931) 6.617 38.452 ( 0.185 -0.486 1.981) 2.048 39.376 ( -2.460 -24.030 3.755) 24.446 40.829 ( -4.249 -13.668 -28.684) 32.057 41.494 ( 1.336 1.272 0.058) 1.846 41.540 ( 1.890 0.884 -1.328) 2.473 42.107 ( 9.622 -3.829 -1.693) 10.494 42.889 ( 14.527 -26.468 -28.783) 41.714 44.509 ( 1.304 -0.216 0.286) 1.352 44.595 ( 3.166 0.254 -2.806) 4.238 44.734 ( 2.012 -2.374 0.720) 3.194 44.905 ( 6.533 0.104 -1.783) 6.773 45.549 ( 0.120 2.113 -0.332) 2.143 45.734 ( 3.573 -1.092 -1.256) 3.942 45.914 ( -0.946 -0.037 -0.249) 0.979 46.016 ( 2.076 -3.217 -2.374) 4.505 54.072 ( 0.212 11.604 -11.745) 16.512 54.368 ( -6.950 -0.429 1.186) 7.063 55.902 ( 2.817 8.671 10.699) 14.057 56.906 ( 30.263 -10.376 -19.041) 37.230 ======================= Grid point 148 (81/114) ======================= q-point: (-0.08 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -10.751 16.225 12.420) 23.089 1.167 ( -0.409 21.050 15.495) 26.141 1.671 ( -10.768 13.308 0.784) 17.136 1.986 ( -10.597 1.127 13.370) 17.098 2.017 ( -3.824 -7.399 3.987) 9.234 2.147 ( -5.711 2.440 2.325) 6.632 2.322 ( -8.107 -2.116 5.238) 9.881 2.437 ( -3.800 -2.757 -4.295) 6.364 2.796 ( 1.313 -7.730 2.052) 8.104 2.947 ( 6.055 -4.388 -7.974) 10.932 3.081 ( -5.702 2.468 -14.461) 15.740 3.124 ( 3.283 3.971 -3.986) 6.514 3.752 ( 0.119 5.171 -2.212) 5.626 3.957 ( -1.899 6.350 -5.717) 8.753 4.548 ( 4.509 -1.802 2.645) 5.529 4.679 ( 2.496 -8.050 0.806) 8.467 4.717 ( 6.597 -2.918 -0.161) 7.215 4.789 ( -1.052 2.018 0.768) 2.402 4.870 ( -0.924 -9.864 -1.700) 10.052 5.099 ( -2.336 -4.024 1.922) 5.034 5.139 ( -1.167 0.304 -3.041) 3.271 5.259 ( -5.644 -2.163 -0.589) 6.073 5.353 ( 3.082 0.944 1.867) 3.725 5.402 ( 2.768 0.599 1.504) 3.206 5.471 ( -0.514 5.881 0.849) 5.964 5.517 ( -1.178 3.491 0.143) 3.687 5.676 ( -3.085 1.215 4.199) 5.350 5.797 ( 1.613 1.366 -5.899) 6.266 6.347 ( -0.344 -1.184 7.449) 7.550 6.541 ( 3.727 4.364 -5.261) 7.785 6.849 ( -1.436 -8.386 3.058) 9.041 6.911 ( 2.818 -4.841 -0.681) 5.643 6.984 ( 5.442 0.225 -2.348) 5.932 7.199 ( 0.030 4.726 -2.929) 5.561 7.429 ( 1.213 -0.946 2.639) 3.055 7.571 ( -0.151 6.334 -0.027) 6.336 7.608 ( 2.923 -2.590 4.330) 5.830 7.787 ( 4.807 -8.384 6.067) 11.411 7.845 ( 4.308 -3.351 0.242) 5.463 8.270 ( 2.931 -10.089 1.987) 10.692 8.580 ( -3.867 10.774 2.544) 11.727 8.636 ( 1.248 6.615 -2.967) 7.357 9.416 ( 0.164 -9.664 3.667) 10.338 9.597 ( 0.769 -11.095 -4.541) 12.013 13.697 ( 1.559 23.026 1.090) 23.104 13.927 ( 11.527 31.146 -8.136) 34.193 15.267 ( 5.609 1.820 2.708) 6.489 15.685 ( -1.893 -8.889 -8.451) 12.410 17.068 ( -1.085 7.231 2.074) 7.601 17.480 ( -4.256 3.794 -9.235) 10.853 17.679 ( 4.412 11.469 0.622) 12.304 17.988 ( -6.949 2.994 -6.345) 9.875 26.778 ( -0.585 2.020 0.413) 2.144 26.825 ( -0.004 2.884 -1.538) 3.269 26.974 ( 0.010 -2.087 0.407) 2.126 27.004 ( -0.449 -1.940 -0.600) 2.080 27.241 ( -0.028 1.210 1.328) 1.796 27.314 ( 0.349 0.805 -0.893) 1.252 27.329 ( 0.367 0.686 -0.578) 0.969 27.370 ( 0.764 2.327 -1.627) 2.941 34.812 ( -0.745 55.532 6.249) 55.887 36.192 ( 37.341 150.147 -53.053) 163.564 37.956 ( 3.692 -4.009 4.683) 7.186 38.118 ( 1.028 4.285 -1.422) 4.630 38.352 ( 0.899 -2.256 7.817) 8.185 38.450 ( -1.179 -1.593 1.889) 2.738 39.282 ( -7.181 -29.296 5.825) 30.720 40.554 ( -13.379 -2.570 -29.289) 32.303 41.524 ( 1.599 2.708 -0.334) 3.163 41.567 ( 1.110 1.717 -1.370) 2.461 42.266 ( 5.459 -6.257 -0.733) 8.336 42.846 ( -8.838 -10.374 -24.733) 28.239 44.536 ( 1.290 -1.209 0.776) 1.930 44.634 ( 1.346 -0.903 -2.343) 2.849 44.790 ( 3.807 1.789 1.381) 4.427 44.984 ( 0.831 5.220 -2.384) 5.799 45.570 ( 1.963 0.253 2.080) 2.871 45.798 ( 3.057 -2.004 -2.433) 4.391 45.890 ( -1.053 0.140 -0.964) 1.434 46.020 ( -0.903 -3.740 -6.067) 7.184 54.072 ( 3.614 7.606 -11.970) 14.635 54.215 ( -7.970 1.972 -1.292) 8.312 55.958 ( -0.703 10.778 12.817) 16.761 57.256 ( 7.613 -17.443 -35.726) 40.479 ======================= Grid point 149 (82/114) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -2.792 16.798 12.518) 21.134 1.612 ( -4.545 13.114 17.269) 22.156 1.738 ( -1.814 -14.054 9.169) 16.879 1.779 ( -3.004 -0.824 8.720) 9.259 2.023 ( 3.523 6.247 -8.630) 11.221 2.158 ( 1.331 0.283 2.877) 3.183 2.248 ( -3.118 5.473 -1.412) 6.455 2.317 ( -2.651 1.383 8.868) 9.359 2.645 ( 1.139 -1.142 -2.634) 3.089 2.834 ( 5.327 -12.729 2.194) 13.972 3.113 ( 2.062 5.858 -16.527) 17.656 3.197 ( 2.744 -1.507 -11.984) 12.386 3.920 ( 0.794 6.972 -3.229) 7.724 4.001 ( -2.149 1.042 -7.122) 7.512 4.497 ( -2.472 -3.544 4.312) 6.104 4.530 ( 0.736 -6.263 3.392) 7.161 4.702 ( -3.236 2.598 -0.711) 4.210 4.773 ( 1.900 -3.152 -3.028) 4.766 4.907 ( 6.100 -0.124 0.668) 6.138 4.928 ( 0.229 -2.496 0.677) 2.596 5.112 ( -2.293 1.545 -2.965) 4.055 5.149 ( -1.067 -1.712 -3.582) 4.111 5.438 ( 2.105 1.281 2.819) 3.744 5.462 ( 1.923 -1.041 2.004) 2.966 5.577 ( -0.155 4.133 1.407) 4.368 5.594 ( -2.374 4.459 2.107) 5.473 5.667 ( -1.486 1.688 2.193) 3.141 5.762 ( -1.061 -4.852 -0.735) 5.021 6.412 ( -1.967 6.586 6.753) 9.635 6.589 ( -1.763 -8.260 3.242) 9.047 6.705 ( 0.839 2.649 -4.514) 5.301 6.807 ( 0.861 -6.074 -4.331) 7.510 7.186 ( 3.166 5.921 3.074) 7.385 7.256 ( -1.495 1.585 -0.168) 2.185 7.525 ( 3.365 2.100 1.596) 4.276 7.568 ( -2.385 -0.925 -0.401) 2.589 7.655 ( 0.624 1.439 3.706) 4.024 7.721 ( 1.762 -4.249 3.413) 5.728 7.867 ( 1.267 -0.489 -0.084) 1.361 7.995 ( -2.316 -10.931 -2.268) 11.401 8.822 ( -2.108 17.056 -0.078) 17.186 8.866 ( 1.500 13.110 -1.594) 13.292 9.153 ( 0.090 -14.136 1.422) 14.208 9.244 ( -0.955 -18.826 -2.756) 19.051 14.156 ( -2.538 19.692 8.132) 21.455 14.435 ( 4.952 -4.122 -2.147) 6.791 15.411 ( -0.879 3.936 -2.865) 4.947 15.474 ( -2.331 -1.743 -3.751) 4.748 17.259 ( 0.605 7.745 1.625) 7.937 17.377 ( -1.897 -2.783 -3.096) 4.574 17.940 ( -1.135 4.254 -6.293) 7.680 17.949 ( -0.027 2.629 -5.159) 5.791 26.825 ( -0.204 2.590 0.224) 2.608 26.856 ( -0.349 0.475 -1.239) 1.372 26.937 ( 0.203 -1.177 0.494) 1.293 26.951 ( -0.115 -1.883 -0.192) 1.897 27.280 ( 0.048 1.676 1.492) 2.245 27.310 ( 0.047 -1.040 1.079) 1.499 27.366 ( -0.009 1.895 -2.054) 2.795 27.393 ( 0.024 -0.405 -2.452) 2.485 36.401 ( 1.781 74.714 30.844) 80.850 37.642 ( -3.064 -28.663 12.739) 31.515 38.207 ( -1.231 4.441 0.980) 4.711 38.278 ( -2.346 -2.495 4.946) 6.016 38.316 ( -4.676 -2.421 3.252) 6.189 38.415 ( -10.828 -5.917 -12.201) 17.353 39.581 ( 21.885 53.658 -65.090) 87.148 40.242 ( 1.051 -10.726 -42.021) 43.381 41.632 ( 0.011 4.219 -1.362) 4.433 41.682 ( 3.237 2.412 -5.019) 6.440 42.191 ( -4.577 6.689 -7.994) 11.384 42.469 ( -4.001 -11.988 -20.107) 23.749 44.545 ( 0.349 0.339 -0.093) 0.496 44.578 ( -0.245 -2.546 -1.701) 3.072 45.047 ( 5.021 5.058 -3.794) 8.074 45.062 ( -1.503 4.117 -5.441) 6.987 45.628 ( 1.691 2.431 -0.132) 2.965 45.742 ( 2.509 -6.734 -6.031) 9.382 45.882 ( -1.074 1.012 -0.895) 1.726 45.907 ( -1.676 -1.371 -2.702) 3.462 54.144 ( -4.376 4.069 -4.323) 7.375 54.190 ( 0.842 0.002 -7.559) 7.606 56.248 ( -4.267 16.857 -2.607) 17.583 56.635 ( -10.426 -17.967 -19.063) 28.195 ======================= Grid point 150 (83/114) ======================= q-point: ( 0.08 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 2.247 14.521 11.168) 18.456 1.619 ( 0.152 5.034 16.883) 17.618 1.776 ( 3.875 -6.851 7.538) 10.898 1.819 ( 4.496 -2.771 7.003) 8.771 2.092 ( 3.793 4.718 0.258) 6.059 2.182 ( -0.032 6.810 -4.913) 8.398 2.257 ( 5.565 -5.612 -9.033) 12.003 2.324 ( -0.084 -2.495 7.981) 8.363 2.729 ( 7.656 9.108 3.380) 12.369 2.955 ( 5.301 -6.126 2.613) 8.512 3.129 ( 3.686 4.125 -13.912) 14.971 3.220 ( 3.390 -3.659 -12.141) 13.126 3.888 ( -3.947 4.167 -3.989) 6.990 3.929 ( -1.442 1.121 -4.032) 4.426 4.439 ( -4.098 -0.668 3.974) 5.748 4.523 ( -2.905 -6.969 2.861) 8.074 4.671 ( 1.157 3.602 -0.958) 3.903 4.771 ( -0.102 -4.712 -1.543) 4.959 4.998 ( 3.831 2.347 -3.864) 5.926 5.044 ( -2.236 -0.118 -2.215) 3.150 5.067 ( 6.117 0.540 2.194) 6.521 5.145 ( 2.608 -5.211 0.685) 5.867 5.434 ( -4.037 1.793 0.536) 4.450 5.461 ( -2.618 -1.055 0.222) 2.832 5.551 ( -1.057 4.960 2.273) 5.558 5.584 ( 1.040 2.338 1.514) 2.973 5.672 ( 1.166 1.415 1.829) 2.590 5.741 ( -0.474 -5.136 0.352) 5.170 6.368 ( -4.015 7.170 6.028) 10.192 6.550 ( -3.073 -8.589 3.813) 9.887 6.664 ( -3.341 3.951 -3.998) 6.539 6.789 ( -1.249 -7.062 -3.681) 8.061 7.173 ( -4.900 5.593 -0.724) 7.471 7.211 ( -2.201 2.717 0.940) 3.621 7.499 ( -4.469 0.246 -0.373) 4.492 7.574 ( -0.325 -3.558 1.988) 4.089 7.680 ( 0.744 0.115 2.854) 2.951 7.739 ( -0.209 -2.958 0.801) 3.072 7.837 ( -2.590 1.640 -1.538) 3.430 7.991 ( 0.768 -10.781 -0.189) 10.810 8.797 ( -0.078 17.526 -0.047) 17.526 8.904 ( 2.167 12.252 -0.467) 12.451 9.157 ( -0.103 -13.775 1.845) 13.898 9.230 ( 0.268 -18.236 -2.092) 18.357 14.089 ( -5.827 23.431 5.954) 24.868 14.475 ( -0.101 -10.275 -3.117) 10.738 15.266 ( -10.129 10.721 -1.543) 14.829 15.424 ( -3.497 -3.438 -1.693) 5.188 17.282 ( 0.951 5.864 1.793) 6.205 17.342 ( 0.020 0.856 -2.124) 2.290 17.900 ( -0.390 4.391 -3.352) 5.538 17.957 ( 1.047 -0.199 -4.825) 4.941 26.826 ( 0.162 2.411 0.447) 2.458 26.852 ( 0.245 0.658 -0.783) 1.052 26.936 ( -0.300 -0.999 0.277) 1.079 26.953 ( 0.310 -2.025 -0.181) 2.057 27.283 ( -0.227 1.601 1.375) 2.122 27.310 ( -0.360 -0.862 0.887) 1.288 27.354 ( -0.472 1.766 -1.852) 2.602 27.380 ( -0.547 -0.383 -2.004) 2.113 36.506 ( -1.318 74.634 33.283) 81.730 37.430 ( -18.518 12.910 -6.555) 23.506 38.130 ( -5.489 3.573 -2.269) 6.931 38.204 ( -5.761 -6.847 6.286) 10.935 38.215 ( -2.958 3.318 -1.509) 4.694 38.279 ( -2.322 -2.737 0.702) 3.658 39.581 ( -3.104 16.508 -35.868) 39.607 40.118 ( -1.827 -23.300 -52.304) 57.289 41.599 ( -2.511 3.986 -1.712) 5.012 41.674 ( -2.476 0.002 -6.552) 7.004 42.036 ( -8.093 4.390 1.351) 9.305 42.280 ( -9.147 -12.669 -9.827) 18.459 44.550 ( 0.170 -0.273 -0.033) 0.324 44.567 ( -0.385 -1.650 -1.511) 2.270 44.932 ( -7.628 6.223 -2.286) 10.106 45.046 ( -4.640 -3.105 -4.935) 7.452 45.653 ( 0.643 3.262 -2.351) 4.072 45.744 ( -1.165 -4.126 -5.257) 6.784 45.879 ( 1.380 0.596 -0.065) 1.505 45.896 ( 0.974 -0.809 -0.104) 1.271 54.062 ( -1.683 7.599 -2.996) 8.340 54.212 ( 3.429 -5.990 -5.072) 8.565 56.151 ( -5.456 12.413 3.618) 14.034 56.373 ( -10.826 -7.149 -5.180) 13.969 ======================= Grid point 151 (84/114) ======================= q-point: ( 0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 8.152 7.983 6.840) 13.303 1.702 ( 4.083 -2.758 10.931) 11.990 1.946 ( 9.554 2.654 4.917) 11.068 1.979 ( 9.056 1.175 3.858) 9.914 2.117 ( -1.455 6.760 2.635) 7.399 2.219 ( 4.954 1.278 -4.415) 6.758 2.298 ( -0.043 -5.836 -1.712) 6.082 2.385 ( 5.803 -8.526 -7.422) 12.707 2.957 ( 12.513 10.171 5.842) 17.151 3.061 ( 4.933 1.846 1.244) 5.412 3.162 ( 2.711 4.515 -6.094) 8.054 3.278 ( 4.889 -5.965 -6.890) 10.342 3.795 ( -3.229 4.467 -2.484) 6.046 3.905 ( -0.189 -4.536 -1.928) 4.933 4.365 ( -4.132 2.397 3.290) 5.800 4.450 ( -4.258 -4.558 1.724) 6.472 4.697 ( -0.741 2.735 -0.884) 2.968 4.738 ( -2.359 -0.784 -3.994) 4.705 4.999 ( -0.613 0.278 0.025) 0.674 5.026 ( 1.302 -2.569 -0.499) 2.924 5.180 ( 2.367 0.871 3.861) 4.612 5.195 ( -2.503 -0.546 3.078) 4.005 5.346 ( -0.825 0.465 -1.217) 1.542 5.386 ( -2.391 -2.486 -2.341) 4.169 5.579 ( 2.684 3.631 1.687) 4.820 5.638 ( 3.560 1.000 -0.657) 3.756 5.699 ( 0.962 1.521 1.019) 2.068 5.747 ( 0.475 -4.272 0.304) 4.309 6.293 ( -4.938 7.284 4.863) 10.054 6.486 ( -4.432 -9.514 3.879) 11.189 6.564 ( -4.997 5.999 -3.993) 8.769 6.743 ( -2.120 -9.775 -3.283) 10.527 7.060 ( -5.178 6.095 -2.844) 8.488 7.136 ( -4.971 1.226 0.495) 5.144 7.388 ( -6.498 -2.282 0.289) 6.893 7.482 ( -8.071 -9.055 0.884) 12.162 7.702 ( 0.581 3.222 2.368) 4.041 7.746 ( 0.044 -0.026 0.436) 0.438 7.801 ( -0.588 3.413 -2.299) 4.157 7.963 ( -3.512 -9.581 0.158) 10.205 8.810 ( 0.992 16.885 -0.279) 16.917 8.941 ( 1.227 11.543 0.969) 11.648 9.160 ( -0.345 -13.007 2.293) 13.212 9.232 ( 0.085 -16.254 -1.247) 16.302 13.981 ( -5.616 25.785 3.148) 26.577 14.429 ( -2.815 -12.558 -4.766) 13.724 15.045 ( -11.249 14.581 2.615) 18.601 15.306 ( -7.479 -7.620 -1.508) 10.783 17.308 ( 1.848 5.971 -0.424) 6.265 17.374 ( 2.621 0.752 1.373) 3.053 17.890 ( 0.008 3.307 -3.124) 4.549 17.958 ( -0.001 -1.916 -2.028) 2.790 26.833 ( 0.376 2.317 0.571) 2.416 26.860 ( 0.673 0.791 -0.283) 1.076 26.929 ( -0.430 -0.622 0.197) 0.781 26.959 ( 0.261 -2.435 -0.311) 2.469 27.279 ( -0.506 1.343 0.879) 1.683 27.301 ( -0.701 -0.681 0.389) 1.052 27.338 ( -0.644 1.639 -1.268) 2.170 27.362 ( -0.716 -0.435 -1.055) 1.348 36.528 ( -5.324 76.717 23.415) 80.387 37.014 ( -16.322 52.824 -10.635) 56.302 38.005 ( -6.836 -5.388 -3.842) 9.514 38.064 ( -9.556 -14.709 8.387) 19.442 38.199 ( -0.216 -0.499 4.595) 4.627 38.257 ( -0.686 -3.357 2.553) 4.273 39.381 ( -7.706 -9.544 -15.401) 19.689 39.791 ( -14.355 -43.050 -51.041) 68.297 41.537 ( -2.780 2.145 -1.360) 3.765 41.579 ( -4.238 -0.890 -3.233) 5.404 41.892 ( -7.032 2.594 4.349) 8.665 42.074 ( -9.501 -11.896 -0.086) 15.225 44.548 ( -0.462 0.314 -0.245) 0.610 44.555 ( -0.361 -0.790 -0.970) 1.302 44.778 ( -6.685 3.798 -0.724) 7.723 44.888 ( -8.384 -5.608 -2.536) 10.401 45.638 ( -1.045 2.986 -2.242) 3.877 45.693 ( -2.219 -1.638 -1.944) 3.374 45.914 ( 1.636 0.059 -0.092) 1.640 45.923 ( 1.085 -0.658 0.492) 1.361 54.080 ( 4.113 10.630 -1.545) 11.502 54.308 ( 7.187 -9.963 -3.787) 12.855 56.021 ( -10.222 10.384 9.180) 17.222 56.159 ( -10.218 -2.196 2.483) 10.742 ======================= Grid point 152 (85/114) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 10.165 3.204 2.415) 10.929 1.848 ( 7.638 -3.348 5.592) 10.041 2.047 ( 0.549 8.372 -9.278) 12.509 2.173 ( 8.191 2.301 0.691) 8.536 2.187 ( 5.808 2.358 7.144) 9.504 2.248 ( -0.934 -6.107 3.541) 7.121 2.340 ( 4.965 1.355 -3.531) 6.241 2.476 ( 4.798 -9.330 -6.293) 12.234 3.158 ( 4.117 7.129 2.742) 8.677 3.211 ( 6.896 7.804 -0.110) 10.415 3.246 ( 9.354 -0.159 3.408) 9.956 3.357 ( 4.567 -4.517 -0.640) 6.455 3.761 ( 0.499 4.719 -0.073) 4.746 3.914 ( 1.337 -7.995 -0.130) 8.107 4.297 ( -3.277 3.991 2.268) 5.640 4.379 ( -3.057 -3.749 1.814) 5.167 4.608 ( -5.294 4.244 -0.903) 6.845 4.686 ( -2.247 -2.631 -4.287) 5.509 4.961 ( -4.915 0.798 0.844) 5.050 5.007 ( -3.852 -2.897 0.697) 4.870 5.158 ( 1.651 5.135 -0.542) 5.422 5.210 ( 0.789 1.196 4.875) 5.081 5.355 ( 0.697 -0.065 -1.409) 1.574 5.399 ( 2.489 -2.760 -0.415) 3.739 5.645 ( 2.717 2.993 0.168) 4.046 5.684 ( 1.133 5.086 -1.040) 5.314 5.733 ( 0.871 0.261 0.425) 1.004 5.754 ( 1.409 -5.781 -0.659) 5.987 6.204 ( -4.836 5.683 3.537) 8.258 6.397 ( -5.122 -8.016 1.760) 9.674 6.451 ( -4.852 5.250 -3.266) 7.860 6.686 ( -2.479 -12.786 -3.471) 13.479 6.962 ( -3.418 5.172 -2.666) 6.748 7.035 ( -4.697 2.102 0.151) 5.148 7.238 ( -8.239 -5.324 0.197) 9.812 7.305 ( -9.144 -8.293 1.332) 12.417 7.688 ( -2.588 5.776 2.611) 6.847 7.741 ( -0.119 1.144 -0.535) 1.269 7.789 ( -0.859 -0.726 -0.691) 1.320 7.874 ( -4.329 -7.127 -1.215) 8.427 8.824 ( 0.442 16.610 -0.972) 16.645 8.949 ( -1.041 10.888 1.678) 11.066 9.152 ( -1.306 -11.206 2.873) 11.643 9.221 ( -0.769 -14.963 -1.252) 15.035 13.894 ( -3.481 25.816 1.413) 26.088 14.346 ( -3.494 -10.398 -6.314) 12.656 14.842 ( -9.839 11.778 5.742) 16.386 15.130 ( -8.914 -10.366 -1.877) 13.800 17.358 ( 3.074 5.970 -0.912) 6.777 17.434 ( 2.478 0.022 2.086) 3.239 17.876 ( -0.440 2.262 -3.078) 3.845 17.942 ( -1.289 -2.778 0.143) 3.066 26.843 ( 0.361 2.256 0.589) 2.359 26.874 ( 0.686 0.896 -0.032) 1.129 26.921 ( -0.476 -0.448 0.214) 0.688 26.961 ( 0.059 -2.662 -0.476) 2.705 27.269 ( -0.592 1.027 0.400) 1.251 27.287 ( -0.736 -0.592 0.089) 0.949 27.322 ( -0.625 1.507 -0.647) 1.755 27.345 ( -0.746 -0.506 -0.422) 0.995 36.433 ( -6.979 78.756 2.646) 79.109 36.757 ( -8.975 62.046 2.560) 62.744 37.832 ( -8.397 -19.718 -5.301) 22.077 37.874 ( -11.131 -26.292 5.303) 29.040 38.209 ( -0.830 0.361 7.395) 7.451 38.261 ( 0.394 -1.644 2.419) 2.951 39.190 ( -8.176 -24.759 -5.335) 26.614 39.321 ( -16.980 -44.442 -34.926) 59.019 41.488 ( -1.759 0.937 -0.544) 2.066 41.507 ( -2.278 -0.800 -0.917) 2.583 41.775 ( -5.709 2.392 3.812) 7.270 41.897 ( -8.301 -8.477 2.647) 12.156 44.532 ( -0.952 1.902 -0.297) 2.147 44.543 ( -0.729 0.200 -0.494) 0.903 44.664 ( -4.418 0.538 -0.116) 4.452 44.729 ( -6.477 -4.491 -0.679) 7.911 45.608 ( -1.272 2.527 -1.055) 3.020 45.649 ( -1.752 -1.053 -0.517) 2.109 45.934 ( 0.157 -0.135 0.149) 0.255 45.938 ( 0.488 -0.423 0.150) 0.663 54.200 ( 7.398 12.687 -0.731) 14.704 54.459 ( 8.293 -10.574 -3.445) 13.873 55.790 ( -14.694 11.453 11.394) 21.838 55.966 ( -9.933 -4.518 2.547) 11.205 ======================= Grid point 153 (86/114) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 6.416 3.711 -0.707) 7.445 2.025 ( 7.827 0.366 1.538) 7.985 2.049 ( 4.057 -0.001 -4.089) 5.760 2.172 ( -1.454 -6.213 -3.479) 7.268 2.301 ( 2.926 4.140 2.749) 5.767 2.346 ( 4.618 -0.004 5.071) 6.859 2.416 ( 2.798 1.968 -0.430) 3.448 2.517 ( 0.200 -7.197 -3.427) 7.974 3.237 ( 2.465 7.882 4.105) 9.223 3.314 ( 3.709 8.136 -1.322) 9.039 3.382 ( 4.228 -2.091 6.058) 7.678 3.536 ( 10.848 -7.815 0.686) 13.387 3.816 ( 4.349 5.071 1.960) 6.962 3.951 ( 1.691 -6.077 2.505) 6.788 4.258 ( -0.785 3.622 1.574) 4.027 4.339 ( -1.736 -3.961 2.326) 4.910 4.525 ( -2.200 5.857 -0.809) 6.309 4.628 ( -1.909 -3.504 -4.475) 5.996 4.870 ( -2.914 1.882 -1.591) 3.817 4.924 ( -3.534 -2.976 0.177) 4.624 5.172 ( -1.294 4.167 2.090) 4.838 5.232 ( -0.822 0.148 3.476) 3.574 5.386 ( 2.168 3.293 -1.432) 4.194 5.421 ( -0.164 1.507 -2.722) 3.115 5.668 ( -0.009 2.524 -2.747) 3.731 5.701 ( -0.190 5.974 2.178) 6.361 5.724 ( 0.676 -2.202 -1.510) 2.754 5.800 ( 1.741 -2.912 1.736) 3.811 6.129 ( -3.152 2.867 1.764) 4.612 6.292 ( -5.005 1.711 -2.410) 5.813 6.364 ( -2.915 -5.056 -0.223) 5.841 6.622 ( -2.857 -15.171 -3.645) 15.862 6.907 ( -1.522 4.184 -1.906) 4.844 6.948 ( -4.330 5.108 1.434) 6.847 7.079 ( -6.552 -7.243 -0.668) 9.789 7.133 ( -7.969 -8.141 1.740) 11.524 7.645 ( -1.914 4.607 1.875) 5.330 7.722 ( -2.432 -1.510 1.756) 3.358 7.749 ( -1.809 0.792 -1.277) 2.352 7.810 ( -1.606 -4.343 -2.374) 5.204 8.821 ( -0.218 16.013 -1.585) 16.092 8.909 ( -3.222 10.396 1.598) 11.001 9.122 ( -2.584 -9.178 3.457) 10.142 9.196 ( -1.050 -14.599 -2.175) 14.798 13.850 ( -1.229 24.351 0.850) 24.397 14.253 ( -3.750 -4.337 -7.140) 9.157 14.689 ( -7.066 5.553 7.047) 11.420 14.954 ( -7.431 -11.720 -2.225) 14.054 17.420 ( 3.235 4.803 -0.965) 5.871 17.480 ( 1.420 0.159 1.719) 2.235 17.859 ( -0.383 1.057 -2.297) 2.558 17.907 ( -2.211 -2.622 0.861) 3.536 26.850 ( 0.231 2.188 0.572) 2.273 26.886 ( 0.461 1.257 -0.055) 1.340 26.912 ( -0.430 -0.727 0.312) 0.901 26.958 ( -0.134 -2.692 -0.621) 2.766 27.259 ( -0.416 0.812 0.268) 0.951 27.274 ( -0.487 -0.567 0.118) 0.757 27.309 ( -0.550 1.325 -0.362) 1.480 27.330 ( -0.695 -0.520 -0.269) 0.909 36.308 ( -4.338 72.655 -5.051) 72.959 36.601 ( -8.263 62.263 2.904) 62.876 37.660 ( -6.547 -30.710 -4.450) 31.714 37.666 ( -9.836 -37.146 3.152) 38.555 38.210 ( -0.989 3.115 6.343) 7.136 38.285 ( 1.303 0.243 1.480) 1.987 38.954 ( -11.277 -34.341 -16.283) 39.643 39.017 ( -7.755 -29.551 -1.969) 30.615 41.461 ( -0.844 0.628 -0.003) 1.052 41.477 ( -0.703 -0.913 -0.304) 1.192 41.686 ( -4.097 1.841 2.936) 5.366 41.758 ( -5.989 -4.929 2.323) 8.097 44.509 ( -1.179 3.357 0.072) 3.558 44.523 ( -1.053 1.586 -0.361) 1.938 44.597 ( -2.357 -2.104 0.081) 3.160 44.626 ( -3.696 -3.920 0.095) 5.388 45.584 ( -0.876 2.168 -0.207) 2.347 45.619 ( -1.198 -0.918 -0.023) 1.509 45.930 ( -0.505 0.285 0.132) 0.595 45.941 ( -0.154 -0.687 -0.215) 0.736 54.352 ( 7.447 13.371 -0.323) 15.309 54.601 ( 6.276 -8.043 -3.515) 10.791 55.538 ( -12.517 11.935 10.080) 20.018 55.775 ( -9.098 -8.761 1.102) 12.678 ======================= Grid point 154 (87/114) ======================= q-point: ( 0.42 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 2.266 3.647 -3.344) 5.442 2.096 ( -0.463 -3.266 -1.936) 3.824 2.161 ( 3.162 0.054 0.596) 3.218 2.203 ( 2.611 -3.870 1.366) 4.865 2.341 ( 2.178 3.217 1.878) 4.316 2.415 ( 0.651 -2.992 3.193) 4.424 2.460 ( 2.232 1.016 0.982) 2.641 2.492 ( -0.393 -2.293 -0.271) 2.342 3.269 ( -0.542 6.118 4.793) 7.791 3.351 ( 0.777 1.368 0.482) 1.645 3.508 ( 5.652 5.395 4.199) 8.870 3.717 ( 6.688 -10.299 -3.289) 12.713 3.927 ( 5.264 4.230 3.343) 7.535 3.996 ( 1.862 -1.643 4.686) 5.304 4.271 ( 0.749 2.533 2.138) 3.398 4.311 ( -1.653 0.299 2.250) 2.808 4.512 ( 0.498 3.421 -1.111) 3.632 4.592 ( -0.263 -3.110 -4.399) 5.394 4.840 ( 0.688 0.181 -3.295) 3.371 4.875 ( -1.296 -2.947 -0.827) 3.324 5.141 ( -2.035 4.578 3.406) 6.058 5.204 ( -2.126 -0.866 3.244) 3.974 5.353 ( -3.514 4.319 -2.454) 6.084 5.403 ( -2.229 0.619 -3.365) 4.084 5.660 ( -0.162 6.640 -0.270) 6.647 5.692 ( 0.333 6.668 -0.109) 6.677 5.761 ( 2.468 -0.258 -1.341) 2.821 5.826 ( 0.266 -4.590 1.635) 4.880 6.094 ( -0.780 0.453 0.478) 1.021 6.193 ( -3.352 6.533 -3.408) 8.095 6.331 ( -0.595 -12.041 1.223) 12.117 6.542 ( -4.124 -16.672 -3.026) 17.440 6.867 ( -3.180 6.025 1.317) 6.939 6.888 ( -0.341 4.001 -0.665) 4.070 6.991 ( -2.205 -5.888 -0.837) 6.343 7.011 ( -4.154 -7.501 1.613) 8.725 7.629 ( -0.151 2.244 1.617) 2.770 7.671 ( -2.386 -1.516 1.626) 3.261 7.724 ( -0.645 1.805 -1.345) 2.342 7.775 ( -1.330 -2.845 -2.090) 3.772 8.813 ( 0.014 14.828 -1.639) 14.918 8.839 ( -3.744 10.756 1.137) 11.446 9.073 ( -3.016 -8.629 3.562) 9.810 9.172 ( -0.440 -14.348 -2.817) 14.628 13.849 ( 0.790 22.142 1.213) 22.189 14.153 ( -3.977 3.644 -6.936) 8.787 14.606 ( -2.961 -0.663 6.591) 7.256 14.828 ( -4.154 -12.589 -2.460) 13.483 17.478 ( 2.483 2.714 -0.507) 3.713 17.500 ( 0.313 0.971 0.855) 1.331 17.848 ( -0.876 -0.046 0.206) 0.901 17.869 ( -0.799 -1.663 -0.931) 2.066 26.856 ( 0.146 2.148 0.591) 2.232 26.891 ( 0.080 2.360 -0.400) 2.395 26.907 ( -0.138 -1.873 0.640) 1.985 26.953 ( -0.206 -2.637 -0.741) 2.747 27.255 ( -0.078 0.745 0.358) 0.830 27.269 ( -0.105 -0.491 0.205) 0.542 27.298 ( -0.375 1.066 -0.286) 1.166 27.316 ( -0.560 -0.487 -0.345) 0.818 36.236 ( -1.289 64.110 -4.294) 64.267 36.433 ( -7.962 56.190 -2.635) 56.813 37.502 ( -7.710 -34.794 7.920) 36.507 37.576 ( 0.191 -36.687 -7.355) 37.418 38.210 ( -0.788 5.804 5.251) 7.866 38.328 ( 3.183 2.470 -1.365) 4.254 38.757 ( -6.032 -29.955 -2.925) 30.696 38.880 ( -4.394 -28.717 -3.246) 29.232 41.452 ( -0.187 0.680 0.268) 0.754 41.470 ( -0.054 -1.082 -0.198) 1.101 41.629 ( -2.191 1.216 2.428) 3.489 41.671 ( -3.194 -2.674 1.661) 4.484 44.489 ( -0.789 3.586 0.307) 3.685 44.502 ( -0.799 2.506 -0.194) 2.638 44.565 ( -0.917 -3.008 0.158) 3.149 44.575 ( -1.577 -3.778 0.249) 4.101 45.573 ( -0.198 1.711 0.270) 1.743 45.600 ( -0.690 -0.685 0.044) 0.973 45.919 ( -0.499 0.527 0.030) 0.727 45.933 ( -0.394 -0.775 -0.424) 0.967 54.488 ( 5.822 12.636 0.091) 13.913 54.678 ( 2.242 -1.943 -3.760) 4.790 55.373 ( -6.080 8.576 8.563) 13.559 55.619 ( -5.985 -11.318 -0.634) 12.819 ======================= Grid point 155 (88/114) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -3.783 0.963 -0.920) 4.011 2.058 ( 1.353 -0.177 -1.772) 2.237 2.174 ( -2.909 -1.098 0.737) 3.195 2.201 ( 2.682 -3.087 -0.423) 4.111 2.418 ( 2.941 0.196 3.197) 4.348 2.430 ( -0.492 -0.862 3.154) 3.306 2.488 ( -0.108 0.426 1.128) 1.210 2.507 ( 0.356 -1.422 0.741) 1.643 3.262 ( -0.981 5.736 3.828) 6.966 3.362 ( 0.063 -2.124 1.477) 2.588 3.604 ( 2.541 6.821 1.653) 7.465 3.782 ( 1.024 -7.346 -4.334) 8.590 4.027 ( 3.011 2.269 4.026) 5.516 4.043 ( 1.237 0.589 2.223) 2.611 4.248 ( -3.438 2.710 5.483) 7.016 4.306 ( -0.203 0.045 1.176) 1.194 4.502 ( -1.733 3.754 -0.899) 4.232 4.578 ( -0.468 -2.764 -4.049) 4.925 4.865 ( 1.344 -1.447 -3.365) 3.902 4.875 ( 3.076 -1.991 -2.538) 4.458 5.141 ( 1.600 4.378 3.247) 5.681 5.195 ( 1.040 -0.576 1.320) 1.776 5.272 ( -3.572 3.533 -0.457) 5.045 5.323 ( -3.969 -0.760 -1.273) 4.237 5.642 ( -0.958 9.228 0.665) 9.301 5.723 ( 1.503 5.886 -1.262) 6.205 5.793 ( 0.182 -0.669 -0.415) 0.808 5.829 ( 0.766 -2.171 -1.312) 2.650 6.075 ( -1.226 2.162 0.296) 2.503 6.167 ( 1.759 3.712 -3.262) 5.245 6.343 ( 1.096 -15.738 2.559) 15.983 6.458 ( -2.445 -15.027 -2.851) 15.489 6.827 ( -1.219 5.196 1.877) 5.657 6.897 ( 1.289 3.940 -1.193) 4.314 6.959 ( -0.713 -6.628 1.088) 6.754 6.992 ( 1.474 -4.711 -0.326) 4.947 7.640 ( -0.084 0.319 1.387) 1.425 7.648 ( 0.273 -0.442 1.592) 1.675 7.716 ( 0.353 1.514 -1.281) 2.015 7.746 ( -0.774 -1.498 -1.979) 2.600 8.775 ( -2.467 11.206 1.000) 11.518 8.823 ( 1.396 13.905 -1.254) 14.031 9.033 ( -1.787 -8.946 3.526) 9.781 9.168 ( 0.953 -13.992 -2.698) 14.281 13.884 ( 1.945 19.181 2.203) 19.405 14.057 ( -3.351 9.973 -6.247) 12.235 14.610 ( 1.395 -3.762 5.355) 6.692 14.778 ( 0.215 -13.105 -2.893) 13.422 17.486 ( -1.367 2.660 0.856) 3.111 17.523 ( 1.464 -0.416 -0.657) 1.658 17.821 ( -1.192 2.444 0.939) 2.877 17.885 ( 2.273 -3.160 -1.831) 4.302 26.860 ( 0.105 2.176 0.650) 2.274 26.888 ( -0.102 2.693 -0.608) 2.762 26.910 ( 0.115 -2.283 0.833) 2.433 26.947 ( -0.106 -2.621 -0.833) 2.752 27.258 ( 0.187 0.835 0.442) 0.963 27.271 ( 0.260 -0.254 0.056) 0.368 27.293 ( 0.011 0.591 -0.102) 0.600 27.305 ( -0.315 -0.377 -0.461) 0.674 36.220 ( -1.380 53.733 -1.301) 53.766 36.302 ( -1.307 55.301 -5.284) 55.568 37.401 ( -4.321 -31.048 5.400) 31.809 37.621 ( 5.599 -31.993 -4.644) 32.810 38.208 ( -0.729 7.819 4.140) 8.877 38.409 ( 5.494 6.778 -4.938) 10.026 38.668 ( -3.050 -33.012 3.389) 33.325 38.852 ( 3.626 -31.464 -4.977) 32.061 41.452 ( 0.082 0.638 0.370) 0.742 41.469 ( -0.038 -0.943 -0.303) 0.992 41.615 ( 0.180 0.647 2.387) 2.480 41.640 ( -0.281 -1.609 1.251) 2.058 44.482 ( 0.004 3.299 0.365) 3.319 44.493 ( 0.002 2.794 -0.143) 2.798 44.557 ( -0.193 -3.221 0.278) 3.239 44.559 ( 0.151 -3.458 0.157) 3.465 45.578 ( 0.551 1.049 0.445) 1.266 45.591 ( -0.185 -0.104 -0.137) 0.252 45.912 ( -0.121 0.484 0.104) 0.509 45.925 ( -0.225 -0.668 -0.465) 0.845 54.580 ( 2.785 10.138 0.632) 10.533 54.670 ( -1.490 5.349 -4.247) 6.991 55.349 ( 1.092 3.472 7.761) 8.572 55.547 ( -0.325 -11.218 -1.878) 11.379 ======================= Grid point 156 (89/114) ======================= q-point: (-0.42 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -5.555 3.080 -0.422) 6.365 2.023 ( -3.424 -4.610 0.654) 5.779 2.196 ( 3.105 1.331 -1.184) 3.580 2.246 ( -0.360 -3.476 -0.446) 3.523 2.377 ( -4.488 3.374 0.991) 5.701 2.448 ( -1.482 -2.328 2.067) 3.449 2.485 ( 0.309 0.337 0.108) 0.469 2.506 ( 1.226 -2.049 -0.471) 2.434 3.248 ( -1.985 5.775 3.635) 7.107 3.350 ( -2.525 -2.212 2.541) 4.210 3.608 ( -2.749 4.321 1.600) 5.366 3.717 ( -6.832 -3.837 -3.413) 8.547 4.027 ( -2.081 3.250 -0.664) 3.916 4.084 ( 0.821 -0.942 1.539) 1.982 4.222 ( 0.336 2.109 6.616) 6.953 4.305 ( 0.306 -3.729 2.708) 4.619 4.448 ( -2.668 5.694 -1.014) 6.369 4.540 ( -1.861 -3.003 -3.567) 5.021 4.903 ( 3.677 1.274 -5.263) 6.546 4.941 ( 3.590 -2.015 -1.586) 4.412 5.155 ( -2.835 3.521 1.420) 4.738 5.228 ( -1.885 -2.702 0.274) 3.306 5.272 ( 4.349 3.318 1.849) 5.774 5.286 ( 4.132 2.257 2.010) 5.120 5.629 ( -0.548 8.200 -1.255) 8.314 5.724 ( -1.239 2.693 -0.212) 2.972 5.768 ( -1.722 1.608 -0.298) 2.375 5.846 ( 0.199 -3.032 0.279) 3.052 6.070 ( 0.877 5.900 -0.346) 5.975 6.215 ( 3.509 3.112 -2.835) 5.480 6.389 ( 2.810 -18.590 2.236) 18.933 6.445 ( 1.756 -12.862 -2.724) 13.264 6.826 ( 0.431 5.799 1.206) 5.938 6.941 ( 3.725 4.775 -0.991) 6.137 6.969 ( 1.386 -7.138 0.410) 7.283 7.055 ( 4.886 -5.962 -0.239) 7.712 7.644 ( 0.361 1.010 1.149) 1.572 7.668 ( 0.530 -1.248 2.333) 2.698 7.735 ( 1.728 0.225 -1.212) 2.122 7.738 ( 0.903 -0.015 -2.083) 2.270 8.752 ( -0.038 12.020 0.857) 12.051 8.863 ( 2.684 12.652 -0.302) 12.937 9.028 ( 0.230 -9.015 3.540) 9.688 9.196 ( 2.487 -13.491 -2.111) 13.879 13.935 ( 2.138 15.542 3.326) 16.037 13.990 ( -1.258 13.382 -5.660) 14.584 14.688 ( 4.698 -3.464 4.217) 7.201 14.823 ( 5.145 -12.972 -3.425) 14.370 17.447 ( -2.629 4.524 0.468) 5.253 17.538 ( 0.098 -3.574 -0.231) 3.583 17.815 ( 0.497 6.258 -0.078) 6.279 17.940 ( 3.501 -4.962 -1.863) 6.352 26.863 ( -0.088 2.304 0.638) 2.392 26.886 ( 0.088 2.674 -0.599) 2.742 26.915 ( 0.089 -2.370 0.851) 2.519 26.945 ( 0.154 -2.660 -0.843) 2.795 27.262 ( 0.037 1.074 0.273) 1.109 27.279 ( 0.511 -0.278 -0.166) 0.605 27.298 ( 0.322 0.229 -0.069) 0.401 27.304 ( 0.509 -0.122 -0.256) 0.583 36.143 ( -3.761 49.102 -1.148) 49.259 36.394 ( 9.456 56.902 -1.545) 57.703 37.360 ( -0.872 -24.848 2.886) 25.030 37.755 ( 8.255 -22.982 -3.320) 24.644 38.211 ( 0.113 8.627 3.188) 9.197 38.487 ( 2.372 10.600 -2.466) 11.139 38.673 ( 3.981 -32.216 -2.715) 32.575 39.012 ( 14.190 -46.921 -6.999) 49.517 41.456 ( 0.243 0.483 0.233) 0.589 41.467 ( 0.064 -0.535 -0.402) 0.672 41.653 ( 2.846 -0.040 2.311) 3.666 41.669 ( 2.915 -1.413 1.340) 3.506 44.490 ( 0.638 3.106 0.311) 3.186 44.502 ( 0.899 3.079 -0.221) 3.215 44.563 ( 0.718 -3.319 0.242) 3.404 44.576 ( 1.451 -3.565 0.191) 3.853 45.591 ( 0.364 0.827 -0.382) 0.982 45.598 ( 1.151 0.218 0.236) 1.195 45.915 ( 0.271 0.271 0.286) 0.479 45.923 ( 0.177 -0.497 -0.262) 0.589 54.573 ( -3.273 9.199 -2.405) 10.056 54.631 ( -1.242 4.883 -2.084) 5.453 55.451 ( 6.710 2.978 7.216) 10.294 55.613 ( 7.540 -9.148 -1.725) 11.979 ======================= Grid point 157 (90/114) ======================= q-point: (-0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -7.029 6.494 1.615) 9.706 1.956 ( -4.425 -5.425 2.362) 7.388 2.128 ( -8.262 1.055 -1.871) 8.536 2.198 ( -2.670 -4.721 -4.203) 6.862 2.318 ( -2.607 4.165 1.071) 5.029 2.407 ( -2.233 -3.311 1.399) 4.231 2.523 ( 3.343 0.497 -3.729) 5.033 2.543 ( 2.121 -1.583 -2.592) 3.704 3.196 ( -4.101 5.875 4.257) 8.334 3.250 ( -8.254 1.865 3.161) 9.034 3.491 ( -14.187 0.779 -0.587) 14.221 3.522 ( -5.851 -2.592 2.809) 6.989 3.967 ( -2.829 3.520 -2.968) 5.404 4.069 ( -1.905 -3.971 -1.299) 4.592 4.309 ( 5.625 1.602 5.667) 8.144 4.349 ( 2.528 -1.317 3.408) 4.443 4.414 ( -0.044 4.242 -0.593) 4.284 4.504 ( 0.254 -4.049 -3.646) 5.455 4.975 ( 4.802 2.012 -5.042) 7.248 5.000 ( 2.124 -0.187 0.016) 2.132 5.097 ( -2.361 3.331 1.064) 4.220 5.176 ( -2.299 -3.105 1.264) 4.065 5.378 ( 4.857 4.929 2.277) 7.285 5.414 ( 5.491 1.654 1.409) 5.906 5.602 ( -1.644 4.610 -1.968) 5.275 5.676 ( -2.744 -0.829 -1.338) 3.163 5.730 ( -2.489 3.639 1.813) 4.767 5.829 ( -1.843 -5.676 1.183) 6.084 6.109 ( 2.944 9.010 1.615) 9.616 6.295 ( 5.424 4.872 -3.393) 8.042 6.462 ( 3.132 -19.793 2.782) 20.232 6.501 ( 4.885 -10.320 -4.685) 12.342 6.844 ( 1.047 6.617 0.562) 6.723 6.990 ( 1.603 -3.391 -0.244) 3.759 7.071 ( 8.100 0.803 -0.258) 8.143 7.187 ( 7.918 -6.843 -0.271) 10.469 7.655 ( 0.276 1.107 1.287) 1.720 7.680 ( 0.002 -0.889 2.740) 2.881 7.754 ( 1.616 1.523 -1.959) 2.962 7.792 ( 3.677 -1.813 -0.748) 4.167 8.774 ( 1.705 12.410 0.395) 12.533 8.919 ( 2.510 12.291 0.638) 12.560 9.058 ( 1.577 -9.217 3.227) 9.892 9.248 ( 2.966 -13.330 -1.554) 13.745 13.975 ( 1.700 15.028 -5.397) 16.058 13.992 ( 2.102 12.081 4.610) 13.101 14.818 ( 7.055 -1.066 2.973) 7.729 14.962 ( 9.380 -12.747 -3.640) 16.240 17.389 ( -3.076 6.518 0.284) 7.213 17.527 ( -1.038 -5.973 0.085) 6.063 17.837 ( 1.740 9.475 -1.367) 9.730 18.007 ( 3.539 -6.046 -2.498) 7.438 26.860 ( -0.361 2.500 0.476) 2.571 26.888 ( 0.230 2.621 -0.538) 2.685 26.918 ( -0.034 -2.500 0.737) 2.606 26.948 ( 0.390 -2.667 -0.671) 2.777 27.262 ( -0.041 1.214 0.207) 1.232 27.286 ( 0.199 -0.896 -0.186) 0.936 27.310 ( 1.038 0.943 -0.427) 1.466 27.322 ( 1.179 -0.118 -0.089) 1.188 36.085 ( -1.949 53.005 1.752) 53.070 36.656 ( 16.232 50.731 2.402) 53.318 37.389 ( 3.761 -12.074 -0.819) 12.672 37.914 ( 7.830 -11.938 -1.820) 14.393 38.236 ( 1.398 8.899 2.988) 9.491 38.500 ( -0.494 4.255 2.863) 5.152 38.781 ( 7.541 -18.850 -10.458) 22.838 39.377 ( 24.712 -66.290 -17.948) 72.987 41.466 ( 0.732 0.434 -0.092) 0.856 41.473 ( 0.838 -0.276 -0.528) 1.029 41.742 ( 5.493 -0.243 0.893) 5.571 41.776 ( 7.334 -3.790 2.269) 8.561 44.506 ( 0.765 2.866 0.149) 2.970 44.527 ( 1.679 2.779 -0.573) 3.297 44.588 ( 1.706 -2.834 0.484) 3.343 44.621 ( 2.970 -3.898 0.248) 4.907 45.601 ( 0.766 1.793 -0.840) 2.123 45.626 ( 1.581 -0.514 -0.161) 1.670 45.922 ( 0.324 0.180 0.358) 0.515 45.931 ( 0.569 -0.581 0.110) 0.821 54.480 ( -4.244 9.242 -5.332) 11.483 54.571 ( -4.178 0.351 -1.319) 4.395 55.663 ( 11.866 6.207 6.804) 15.021 55.836 ( 14.852 -7.650 -1.493) 16.773 ======================= Grid point 158 (91/114) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -8.572 11.038 6.403) 15.373 1.832 ( -7.796 2.223 2.821) 8.584 1.972 ( -7.316 -2.905 1.747) 8.063 2.122 ( -2.889 -10.047 -1.780) 10.605 2.238 ( -5.283 5.025 -2.500) 7.707 2.347 ( -4.180 -4.364 -0.755) 6.090 2.562 ( 1.292 0.087 -5.073) 5.236 2.575 ( 2.858 -1.165 -7.707) 8.302 3.035 ( -13.268 4.951 4.262) 14.789 3.096 ( -12.607 -0.097 5.069) 13.589 3.211 ( -7.521 10.462 1.873) 13.020 3.398 ( -6.879 -6.312 0.540) 9.352 3.912 ( -1.317 4.433 -4.474) 6.434 4.029 ( -0.787 -4.875 -3.858) 6.266 4.397 ( 1.704 1.376 3.387) 4.033 4.414 ( 0.548 -0.745 3.495) 3.615 4.464 ( 6.645 3.163 0.597) 7.384 4.565 ( 6.121 -6.024 -2.528) 8.953 4.994 ( -2.755 3.728 2.961) 5.501 5.050 ( 1.696 -1.126 -0.768) 2.176 5.109 ( 4.160 2.393 -1.738) 5.104 5.166 ( 1.798 -2.636 0.163) 3.195 5.432 ( -1.595 2.508 0.206) 2.980 5.451 ( -2.655 0.961 -1.415) 3.158 5.574 ( -0.138 3.394 1.727) 3.811 5.651 ( 1.315 -1.962 0.558) 2.427 5.678 ( -2.669 3.947 0.837) 4.838 5.793 ( -1.606 -6.167 0.058) 6.373 6.200 ( 4.939 9.039 4.414) 11.206 6.409 ( 6.767 5.702 -4.386) 9.877 6.529 ( 2.656 -17.198 3.196) 17.693 6.601 ( 5.987 -8.646 -5.185) 11.725 6.878 ( 2.479 6.695 0.647) 7.168 7.031 ( 2.788 -5.802 0.207) 6.440 7.246 ( 8.352 2.796 -0.249) 8.811 7.350 ( 7.679 -5.538 -0.207) 9.470 7.658 ( -0.434 1.002 1.533) 1.882 7.686 ( -0.295 -0.683 3.010) 3.101 7.786 ( 2.026 3.425 -1.681) 4.320 7.878 ( 4.909 -4.555 -0.206) 6.700 8.810 ( 1.661 12.499 -0.407) 12.616 8.955 ( 0.528 13.492 1.181) 13.554 9.102 ( 1.694 -10.713 2.429) 11.114 9.294 ( 1.760 -14.082 -1.493) 14.269 14.017 ( 3.666 14.898 -3.613) 15.762 14.057 ( 3.124 10.369 4.574) 11.756 14.987 ( 8.908 2.398 1.338) 9.322 15.166 ( 11.399 -12.746 -3.674) 17.490 17.328 ( -2.896 8.115 0.270) 8.620 17.498 ( -1.790 -7.233 0.047) 7.451 17.872 ( 2.271 11.335 -2.804) 11.895 18.060 ( 2.366 -5.970 -3.768) 7.446 26.852 ( -0.500 2.672 0.353) 2.741 26.889 ( 0.026 2.141 -0.757) 2.271 26.919 ( -0.012 -2.184 0.695) 2.292 26.954 ( 0.339 -2.654 -0.480) 2.718 27.263 ( 0.043 1.318 0.440) 1.390 27.289 ( 0.224 -1.053 0.027) 1.077 27.333 ( 1.263 1.274 -0.825) 1.974 27.348 ( 1.408 -0.056 -0.524) 1.504 36.081 ( 0.464 59.492 6.496) 59.847 37.043 ( 18.434 16.344 11.262) 27.088 37.536 ( 13.889 25.139 -10.301) 30.512 38.052 ( 6.066 -3.279 -0.423) 6.908 38.283 ( 2.293 9.657 3.541) 10.538 38.493 ( -1.396 2.961 4.739) 5.760 38.890 ( 6.966 -9.185 -16.834) 20.403 39.842 ( 26.773 -70.036 -32.787) 81.834 41.488 ( 1.603 0.817 -0.450) 1.854 41.502 ( 2.201 -0.386 -0.896) 2.408 41.882 ( 8.241 0.247 -0.739) 8.278 41.990 ( 13.653 -11.952 -0.756) 18.161 44.520 ( 0.649 2.503 -0.066) 2.587 44.559 ( 1.580 0.327 -1.267) 2.051 44.640 ( 3.398 -0.275 0.954) 3.540 44.702 ( 5.170 -4.357 0.302) 6.768 45.614 ( 0.729 2.769 -1.376) 3.177 45.659 ( 1.795 -1.321 -0.826) 2.377 45.927 ( -0.005 0.391 0.272) 0.476 45.944 ( 0.665 -1.187 0.145) 1.368 54.376 ( -4.055 7.766 -7.905) 11.800 54.465 ( -5.542 -1.616 -1.872) 6.068 55.946 ( 13.485 11.379 4.858) 18.301 56.195 ( 20.741 -9.998 -3.411) 23.277 ======================= Grid point 159 (92/114) ======================= q-point: (-0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -7.040 13.790 12.112) 19.658 1.700 ( -5.895 11.773 5.253) 14.176 1.845 ( -6.157 -6.498 7.692) 11.802 2.050 ( -5.724 -10.403 3.824) 12.474 2.108 ( -5.186 5.526 -7.088) 10.377 2.246 ( -4.258 -5.898 -3.660) 8.144 2.559 ( -3.876 0.884 -4.760) 6.201 2.589 ( 3.262 -1.408 -6.052) 7.018 2.697 ( -19.691 8.845 8.664) 23.260 2.853 ( -8.658 -3.905 -0.107) 9.499 3.170 ( -0.124 4.761 -0.560) 4.796 3.258 ( -5.810 -3.010 -4.615) 8.007 3.890 ( 0.566 6.466 -4.799) 8.072 4.020 ( 1.176 -3.795 -5.670) 6.923 4.437 ( 1.543 -1.203 2.572) 3.232 4.452 ( 2.248 -2.165 5.176) 6.044 4.595 ( 5.868 2.715 -1.573) 6.654 4.682 ( 5.153 -5.442 -1.869) 7.724 4.937 ( -3.360 4.662 2.505) 6.269 5.034 ( -2.178 -4.062 1.594) 4.877 5.213 ( 4.016 2.224 -0.261) 4.598 5.247 ( 5.446 -0.835 0.158) 5.512 5.327 ( -5.924 -0.433 -2.243) 6.349 5.360 ( -4.630 -2.542 -0.622) 5.319 5.587 ( -0.098 4.599 1.803) 4.941 5.639 ( -1.157 2.978 0.076) 3.196 5.690 ( 1.001 0.128 1.717) 1.992 5.774 ( -0.111 -4.162 -0.630) 4.211 6.318 ( 4.493 7.429 6.444) 10.812 6.537 ( 7.227 5.686 -5.444) 10.687 6.581 ( 1.327 -13.795 3.371) 14.263 6.701 ( 5.205 -7.300 -4.684) 10.115 6.956 ( 4.936 6.588 1.335) 8.339 7.113 ( 4.981 -6.579 1.660) 8.417 7.382 ( 4.992 4.295 -0.250) 6.590 7.484 ( 5.570 -3.914 0.845) 6.860 7.645 ( -1.375 0.722 1.521) 2.173 7.686 ( -0.514 -1.012 2.622) 2.857 7.823 ( 1.875 5.385 -1.541) 5.907 7.978 ( 4.404 -8.051 0.171) 9.178 8.832 ( 0.682 12.495 -1.123) 12.564 8.944 ( -1.954 15.028 1.031) 15.189 9.135 ( 0.850 -12.713 1.531) 12.833 9.304 ( -0.255 -15.574 -1.948) 15.698 14.086 ( 2.932 14.433 3.060) 15.042 14.157 ( 6.271 8.631 0.183) 10.670 15.177 ( 9.372 5.243 -0.442) 10.748 15.374 ( 9.495 -11.880 -4.108) 15.753 17.278 ( -2.010 8.979 0.370) 9.209 17.459 ( -1.906 -7.388 -0.633) 7.656 17.907 ( 2.148 11.210 -4.321) 12.204 18.072 ( -0.004 -4.317 -5.429) 6.936 26.842 ( -0.552 2.775 0.224) 2.839 26.883 ( -0.336 1.150 -1.117) 1.638 26.922 ( 0.147 -1.371 0.700) 1.546 26.958 ( 0.081 -2.574 -0.344) 2.598 27.267 ( 0.150 1.451 0.833) 1.680 27.295 ( 0.314 -1.122 0.413) 1.236 27.353 ( 1.063 1.595 -1.349) 2.344 27.374 ( 1.325 -0.106 -1.259) 1.831 36.145 ( 2.822 66.699 13.457) 68.102 37.375 ( 9.211 -37.306 19.407) 43.049 37.942 ( 27.151 53.555 -15.255) 61.952 38.156 ( 4.429 1.983 0.048) 4.853 38.350 ( 3.408 12.969 3.926) 13.972 38.477 ( -0.782 4.215 5.688) 7.123 38.960 ( 8.147 13.503 -34.188) 37.650 40.193 ( 17.857 -51.048 -40.904) 67.808 41.531 ( 2.991 1.889 -1.006) 3.678 41.554 ( 3.163 0.035 -1.266) 3.407 42.060 ( 9.438 1.713 -3.625) 10.254 42.297 ( 16.941 -22.179 -12.177) 30.450 44.531 ( 0.456 1.989 -0.245) 2.055 44.580 ( 0.849 -2.013 -1.625) 2.722 44.736 ( 5.899 3.168 0.897) 6.755 44.839 ( 8.507 -5.245 -0.804) 10.027 45.617 ( -0.003 3.799 -1.711) 4.166 45.692 ( 1.733 -2.839 -1.799) 3.781 45.922 ( -0.525 0.908 -0.207) 1.069 45.955 ( 0.335 -2.196 -0.701) 2.329 54.275 ( -3.023 6.104 -9.534) 11.717 54.350 ( -4.832 -1.578 -3.330) 6.077 56.198 ( 9.657 17.897 0.147) 20.336 56.597 ( 18.880 -17.647 -10.850) 28.028 ======================= Grid point 160 (93/114) ======================= q-point: (-0.08 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -5.215 14.921 13.822) 20.997 1.639 ( -2.646 15.093 10.778) 18.734 1.775 ( -3.933 -9.989 11.169) 15.492 1.895 ( -10.004 -1.012 7.522) 12.557 2.022 ( -0.866 4.449 -9.309) 10.354 2.172 ( -1.977 -4.567 -3.899) 6.322 2.370 ( -11.689 9.035 11.463) 18.699 2.423 ( -9.186 3.109 2.076) 9.917 2.639 ( 2.044 -4.924 -3.656) 6.465 2.765 ( 0.490 -11.819 -3.929) 12.464 3.151 ( -1.717 3.043 -10.999) 11.541 3.179 ( 1.646 0.683 -7.462) 7.672 3.902 ( 1.706 8.012 -4.163) 9.189 4.029 ( 1.096 -1.560 -6.708) 6.974 4.484 ( 1.908 -2.689 3.142) 4.555 4.506 ( 0.929 -5.037 5.490) 7.509 4.692 ( 4.731 1.116 -3.928) 6.249 4.746 ( 1.883 -3.423 -2.532) 4.656 4.872 ( -3.396 4.852 2.530) 6.440 4.988 ( -3.491 -5.595 2.830) 7.177 5.170 ( -3.570 1.930 -3.611) 5.432 5.214 ( -4.490 -2.030 -3.218) 5.886 5.361 ( 4.520 0.408 2.389) 5.129 5.383 ( 4.586 -1.515 2.254) 5.330 5.581 ( -0.479 4.368 0.417) 4.414 5.622 ( -1.036 2.844 0.997) 3.187 5.693 ( -1.180 1.742 2.355) 3.158 5.775 ( 0.064 -3.409 -0.778) 3.498 6.399 ( 1.313 6.585 7.017) 9.712 6.600 ( -0.157 -8.917 2.610) 9.293 6.655 ( 5.274 2.507 -4.712) 7.504 6.776 ( 3.451 -6.588 -4.633) 8.762 7.077 ( 5.997 6.902 2.257) 9.418 7.222 ( 4.255 -4.726 2.172) 6.720 7.457 ( 2.944 5.330 0.660) 6.125 7.590 ( 3.663 -5.259 2.799) 6.994 7.615 ( -1.185 2.166 1.702) 2.998 7.684 ( -0.042 -2.157 2.129) 3.032 7.846 ( 0.964 5.254 -1.795) 5.635 8.031 ( 0.374 -10.807 -0.293) 10.817 8.838 ( 0.481 12.606 -1.401) 12.693 8.891 ( -3.041 16.358 0.132) 16.639 9.147 ( 0.139 -14.057 1.105) 14.102 9.278 ( -1.396 -17.369 -2.528) 17.608 14.145 ( 1.001 16.255 7.425) 17.898 14.303 ( 7.859 3.384 -1.807) 8.746 15.343 ( 6.723 5.441 -1.798) 8.834 15.494 ( 3.158 -8.336 -4.834) 10.140 17.254 ( -0.526 8.967 0.716) 9.011 17.420 ( -1.641 -6.066 -1.876) 6.558 17.931 ( 1.751 8.271 -5.827) 10.268 18.024 ( -2.758 -0.730 -6.371) 6.981 26.832 ( -0.483 2.751 0.128) 2.797 26.870 ( -0.553 0.525 -1.345) 1.547 26.929 ( 0.301 -1.011 0.624) 1.226 26.956 ( -0.164 -2.292 -0.229) 2.310 27.273 ( 0.177 1.596 1.246) 2.032 27.304 ( 0.287 -1.126 0.842) 1.434 27.366 ( 0.584 1.849 -1.834) 2.669 27.391 ( 0.822 -0.292 -2.066) 2.243 36.265 ( 3.380 72.423 22.450) 75.898 37.566 ( 4.553 -39.069 17.484) 43.044 38.197 ( 2.147 7.247 0.705) 7.591 38.268 ( 3.288 0.104 2.332) 4.033 38.378 ( -2.529 1.881 3.072) 4.401 38.574 ( 0.600 -18.811 7.967) 20.437 39.158 ( 32.160 83.477 -73.270) 115.633 40.310 ( 6.283 -25.235 -41.280) 48.788 41.601 ( 3.868 3.255 -2.082) 5.468 41.613 ( 3.102 1.977 -1.493) 3.970 42.206 ( 5.526 4.516 -8.276) 10.928 42.510 ( 7.612 -19.379 -22.842) 30.907 44.538 ( 0.340 1.266 -0.222) 1.329 44.585 ( 0.169 -2.792 -1.738) 3.293 44.887 ( 8.842 6.598 -0.761) 11.058 45.015 ( 7.868 -3.326 -4.006) 9.434 45.609 ( 0.035 3.839 -0.955) 3.956 45.716 ( 1.496 -5.219 -3.431) 6.422 45.906 ( -0.866 1.304 -1.032) 1.875 45.947 ( -0.864 -2.631 -2.516) 3.741 54.207 ( -0.971 4.266 -8.661) 9.704 54.250 ( -3.852 0.289 -5.291) 6.551 56.303 ( 1.170 20.651 -4.434) 21.154 56.794 ( 3.575 -23.737 -21.253) 32.061 ======================= Grid point 185 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -4.679 0.000 -9.274) 10.387 1.101 ( 4.679 0.000 9.274) 10.387 1.613 ( -4.547 0.000 -15.830) 16.471 1.613 ( 4.547 0.000 15.830) 16.471 2.314 ( 0.324 0.000 -5.834) 5.843 2.314 ( -0.324 0.000 5.834) 5.843 2.387 ( 1.898 0.000 -28.234) 28.297 2.387 ( -1.898 0.000 28.234) 28.297 2.649 ( 4.691 0.000 -22.234) 22.723 2.649 ( -4.691 0.000 22.234) 22.723 3.072 ( 4.815 0.000 -7.677) 9.062 3.072 ( -4.815 0.000 7.677) 9.062 3.714 ( -2.493 0.000 -1.933) 3.154 3.714 ( 2.493 0.000 1.933) 3.154 4.702 ( -8.450 0.000 2.449) 8.798 4.702 ( 8.450 0.000 -2.449) 8.798 4.793 ( -4.812 0.000 1.084) 4.933 4.793 ( 4.812 0.000 -1.084) 4.933 5.050 ( -4.605 0.000 0.759) 4.667 5.050 ( 4.605 0.000 -0.759) 4.667 5.244 ( 2.179 0.000 -2.466) 3.291 5.244 ( -2.179 0.000 2.466) 3.291 5.352 ( -2.146 0.000 0.183) 2.154 5.352 ( 2.146 0.000 -0.183) 2.154 5.472 ( -0.351 0.000 -2.669) 2.692 5.472 ( 0.351 0.000 2.669) 2.692 5.686 ( 5.546 0.000 -4.690) 7.263 5.686 ( -5.546 0.000 4.690) 7.263 6.434 ( -2.653 0.000 0.452) 2.691 6.434 ( 2.653 0.000 -0.452) 2.691 6.992 ( 4.218 0.000 -5.360) 6.820 6.992 ( -4.218 0.000 5.360) 6.820 7.014 ( -4.446 0.000 -2.705) 5.204 7.014 ( 4.446 0.000 2.705) 5.204 7.469 ( 1.698 0.000 -2.304) 2.862 7.469 ( -1.698 0.000 2.304) 2.862 7.786 ( -2.110 0.000 -2.824) 3.525 7.786 ( 2.110 0.000 2.824) 3.525 8.409 ( -11.370 0.000 1.734) 11.502 8.409 ( 11.370 0.000 -1.734) 11.502 8.522 ( 3.293 0.000 -5.502) 6.412 8.522 ( -3.293 0.000 5.502) 6.412 9.622 ( 1.582 0.000 -5.430) 5.656 9.622 ( -1.582 0.000 5.430) 5.656 13.362 ( -7.219 0.000 -1.217) 7.321 13.362 ( 7.219 0.000 1.217) 7.321 15.437 ( -6.492 0.000 -4.374) 7.828 15.437 ( 6.492 0.000 4.374) 7.828 17.074 ( -2.695 0.000 -5.185) 5.843 17.074 ( 2.695 0.000 5.185) 5.843 17.747 ( -2.878 0.000 -4.077) 4.990 17.747 ( 2.878 0.000 4.077) 4.990 26.759 ( 0.048 0.000 -0.573) 0.575 26.759 ( -0.048 0.000 0.573) 0.575 27.003 ( 0.226 0.000 -0.450) 0.503 27.003 ( -0.226 0.000 0.450) 0.503 27.264 ( 0.072 0.000 -1.867) 1.868 27.264 ( -0.072 0.000 1.867) 1.868 27.324 ( -0.227 0.000 -0.256) 0.342 27.324 ( 0.227 0.000 0.256) 0.342 34.093 ( -4.346 0.000 -2.968) 5.263 34.093 ( 4.346 0.000 2.968) 5.263 38.039 ( -0.149 0.000 -1.543) 1.550 38.039 ( 0.149 0.000 1.543) 1.550 38.502 ( -1.093 0.000 0.104) 1.098 38.502 ( 1.093 0.000 -0.104) 1.098 39.826 ( 1.560 0.000 -16.520) 16.594 39.826 ( -1.560 0.000 16.520) 16.594 41.524 ( -0.019 0.000 -1.153) 1.154 41.524 ( 0.019 0.000 1.153) 1.154 42.501 ( -7.737 0.000 -0.610) 7.761 42.501 ( 7.737 0.000 0.610) 7.761 44.624 ( 0.684 0.000 -1.480) 1.631 44.624 ( -0.684 0.000 1.480) 1.631 44.859 ( -3.835 0.000 -0.896) 3.938 44.859 ( 3.835 0.000 0.896) 3.938 45.778 ( -1.269 0.000 -8.090) 8.189 45.778 ( 1.269 0.000 8.090) 8.189 45.862 ( -2.422 0.000 0.221) 2.432 45.862 ( 2.422 0.000 -0.221) 2.432 53.985 ( -10.617 0.000 2.705) 10.956 53.985 ( 10.617 0.000 -2.705) 10.956 56.461 ( -6.693 0.000 -31.284) 31.992 56.461 ( 6.693 0.000 31.284) 31.992 ======================= Grid point 187 (95/114) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.094 ( 7.198 0.000 -11.910) 13.916 1.304 ( 12.077 0.000 3.405) 12.548 1.507 ( 0.079 0.000 -14.320) 14.320 1.763 ( 6.064 0.000 13.664) 14.949 2.286 ( -3.825 0.000 10.520) 11.193 2.311 ( 1.680 0.000 -5.724) 5.965 2.450 ( 10.745 0.000 -23.228) 25.593 2.557 ( 5.672 0.000 24.618) 25.263 2.668 ( 3.289 0.000 19.403) 19.679 2.701 ( 6.293 0.000 -18.147) 19.207 2.980 ( -5.840 0.000 5.447) 7.986 3.123 ( 2.876 0.000 -10.100) 10.502 3.683 ( -0.423 0.000 -0.752) 0.863 3.798 ( 4.922 0.000 2.513) 5.526 4.573 ( -4.136 0.000 -0.444) 4.160 4.662 ( -8.701 0.000 3.106) 9.239 4.823 ( 2.464 0.000 -2.998) 3.880 4.842 ( -0.316 0.000 0.112) 0.335 5.020 ( 2.563 0.000 -1.140) 2.805 5.128 ( -9.440 0.000 4.212) 10.337 5.140 ( 2.920 0.000 1.068) 3.109 5.258 ( -0.500 0.000 1.371) 1.460 5.349 ( -2.561 0.000 -2.093) 3.307 5.375 ( 4.462 0.000 -0.741) 4.523 5.441 ( -2.019 0.000 -3.139) 3.732 5.499 ( 2.295 0.000 2.059) 3.083 5.630 ( -0.148 0.000 3.020) 3.023 5.768 ( 3.244 0.000 -5.249) 6.171 6.395 ( -0.860 0.000 0.185) 0.880 6.471 ( 0.213 0.000 0.511) 0.553 6.896 ( -5.711 0.000 3.094) 6.495 6.929 ( -4.164 0.000 1.677) 4.489 7.047 ( 2.450 0.000 -4.174) 4.840 7.088 ( 1.659 0.000 2.992) 3.421 7.449 ( -0.795 0.000 0.458) 0.917 7.504 ( 2.444 0.000 -3.386) 4.176 7.731 ( -2.391 0.000 -2.987) 3.826 7.826 ( 1.063 0.000 1.767) 2.062 8.106 ( -16.236 0.000 -4.311) 16.798 8.462 ( -3.718 0.000 5.024) 6.250 8.509 ( -3.856 0.000 -5.751) 6.924 8.547 ( 3.963 0.000 -4.337) 5.875 9.599 ( -2.130 0.000 6.109) 6.469 9.621 ( -0.216 0.000 -4.887) 4.892 13.251 ( -2.681 0.000 -1.410) 3.029 13.499 ( 4.910 0.000 0.907) 4.993 15.300 ( -5.801 0.000 -0.342) 5.812 15.544 ( 0.407 0.000 11.701) 11.709 17.043 ( 0.762 0.000 -3.186) 3.276 17.174 ( 4.923 0.000 6.608) 8.240 17.712 ( 0.544 0.000 -6.337) 6.360 17.855 ( 6.086 0.000 3.739) 7.143 26.764 ( 0.573 0.000 -0.477) 0.746 26.765 ( 0.449 0.000 0.630) 0.773 27.004 ( 0.031 0.000 0.911) 0.911 27.009 ( 0.473 0.000 -0.548) 0.724 27.259 ( -0.025 0.000 -1.732) 1.732 27.267 ( -0.223 0.000 1.834) 1.848 27.319 ( -0.300 0.000 -0.257) 0.395 27.329 ( 0.152 0.000 0.235) 0.280 34.063 ( 2.845 0.000 -2.592) 3.849 34.219 ( 6.529 0.000 2.855) 7.126 38.031 ( -0.067 0.000 -2.337) 2.338 38.044 ( -0.221 0.000 1.002) 1.026 38.460 ( -3.112 0.000 0.412) 3.139 38.504 ( -0.986 0.000 0.697) 1.207 39.936 ( 12.238 0.000 -23.912) 26.862 40.013 ( 12.456 0.000 23.051) 26.201 41.515 ( -0.488 0.000 -1.101) 1.204 41.521 ( -0.694 0.000 1.142) 1.336 42.337 ( -8.918 0.000 1.264) 9.007 42.646 ( 4.105 0.000 9.239) 10.110 44.588 ( -2.949 0.000 0.793) 3.054 44.609 ( -1.397 0.000 -2.245) 2.644 44.800 ( -1.829 0.000 -0.474) 1.890 44.931 ( 2.209 0.000 -1.187) 2.508 45.662 ( -5.701 0.000 -5.923) 8.221 45.762 ( -2.834 0.000 3.983) 4.888 45.874 ( 1.823 0.000 0.308) 1.848 45.947 ( 3.263 0.000 3.704) 4.937 53.829 ( -5.316 0.000 2.964) 6.087 54.216 ( 12.321 0.000 -3.150) 12.717 56.216 ( -8.692 0.000 -15.843) 18.071 56.577 ( -8.141 0.000 42.042) 42.822 ======================= Grid point 188 (96/114) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.289 ( 14.341 0.000 -12.294) 18.889 1.493 ( 9.374 0.000 -15.603) 18.202 1.646 ( 13.156 0.000 7.248) 15.020 1.946 ( 7.821 0.000 13.536) 15.633 2.243 ( -3.203 0.000 10.250) 10.739 2.328 ( 1.809 0.000 -6.667) 6.908 2.621 ( -1.884 0.000 13.995) 14.121 2.654 ( 13.116 0.000 -14.609) 19.633 2.797 ( 7.488 0.000 -9.637) 12.204 2.835 ( -2.113 0.000 5.202) 5.615 3.016 ( 13.900 0.000 15.878) 21.103 3.138 ( 2.836 0.000 -13.227) 13.528 3.694 ( 1.709 0.000 1.324) 2.162 3.917 ( 5.873 0.000 1.975) 6.196 4.474 ( -10.174 0.000 2.764) 10.543 4.516 ( -1.959 0.000 -1.113) 2.253 4.770 ( -6.009 0.000 -2.879) 6.663 4.834 ( -0.048 0.000 1.573) 1.574 4.934 ( -9.586 0.000 2.861) 10.004 5.076 ( 2.043 0.000 -2.114) 2.940 5.092 ( -9.300 0.000 0.214) 9.302 5.195 ( -2.115 0.000 3.936) 4.469 5.369 ( -3.665 0.000 -4.274) 5.631 5.387 ( 4.185 0.000 0.574) 4.224 5.487 ( 5.245 0.000 0.209) 5.249 5.561 ( 3.161 0.000 -1.517) 3.506 5.687 ( 4.457 0.000 4.591) 6.398 5.775 ( -0.815 0.000 -5.501) 5.561 6.402 ( 1.305 0.000 -1.208) 1.778 6.429 ( -4.508 0.000 1.152) 4.653 6.802 ( -4.915 0.000 5.464) 7.349 6.835 ( -5.620 0.000 0.124) 5.621 7.036 ( -3.165 0.000 -0.456) 3.198 7.115 ( 0.850 0.000 0.473) 0.973 7.440 ( -0.200 0.000 -0.011) 0.200 7.538 ( 1.558 0.000 -2.874) 3.269 7.637 ( -7.224 0.000 -7.018) 10.071 7.838 ( -6.385 0.000 -1.419) 6.541 7.839 ( 0.058 0.000 -0.144) 0.155 8.333 ( -10.459 0.000 -4.893) 11.547 8.406 ( -3.134 0.000 4.117) 5.174 8.585 ( 1.109 0.000 -3.704) 3.867 9.571 ( -2.667 0.000 6.378) 6.914 9.584 ( -1.870 0.000 -4.810) 5.161 13.233 ( 0.750 0.000 -2.609) 2.715 13.556 ( 0.970 0.000 -0.648) 1.166 15.201 ( -3.915 0.000 -1.946) 4.372 15.507 ( -7.311 0.000 13.217) 15.104 17.077 ( 3.132 0.000 -2.042) 3.739 17.292 ( 4.458 0.000 6.568) 7.938 17.719 ( 1.963 0.000 -7.172) 7.435 17.982 ( 4.391 0.000 4.893) 6.574 26.777 ( 0.793 0.000 -0.371) 0.875 26.779 ( 0.722 0.000 0.621) 0.952 27.006 ( -0.217 0.000 1.351) 1.368 27.015 ( 0.243 0.000 -0.855) 0.888 27.253 ( -0.046 0.000 -1.490) 1.491 27.266 ( -0.383 0.000 1.628) 1.672 27.310 ( -0.447 0.000 -0.209) 0.494 27.331 ( -0.031 0.000 0.159) 0.162 34.187 ( 9.574 0.000 -3.089) 10.060 34.362 ( 6.855 0.000 2.205) 7.201 38.021 ( -0.125 0.000 -3.075) 3.078 38.034 ( -0.910 0.000 0.410) 0.998 38.381 ( -4.646 0.000 0.004) 4.646 38.470 ( -2.604 0.000 1.525) 3.017 40.066 ( 7.310 0.000 -31.540) 32.376 40.345 ( 9.958 0.000 30.265) 31.862 41.501 ( -0.469 0.000 -1.201) 1.290 41.504 ( -1.263 0.000 1.018) 1.622 42.138 ( -10.910 0.000 0.673) 10.931 42.664 ( -7.572 0.000 17.331) 18.913 44.524 ( -3.431 0.000 1.271) 3.659 44.563 ( -2.299 0.000 -2.474) 3.377 44.769 ( -1.458 0.000 0.154) 1.466 44.914 ( -3.206 0.000 -2.511) 4.072 45.559 ( -2.974 0.000 -2.343) 3.786 45.710 ( -3.046 0.000 2.316) 3.827 45.913 ( 1.809 0.000 -0.146) 1.815 45.990 ( -0.006 0.000 2.880) 2.880 53.790 ( 0.427 0.000 3.032) 3.062 54.433 ( 9.523 0.000 -3.954) 10.311 56.044 ( -5.157 0.000 -7.619) 9.200 56.368 ( -22.867 0.000 37.287) 43.741 ======================= Grid point 189 (97/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.552 ( 13.961 0.000 -9.378) 16.818 1.700 ( 14.217 0.000 -7.506) 16.076 1.924 ( 11.336 0.000 4.492) 12.194 2.123 ( 3.618 0.000 12.233) 12.757 2.246 ( 3.256 0.000 4.476) 5.534 2.348 ( 1.697 0.000 -3.848) 4.206 2.565 ( -6.485 0.000 7.137) 9.643 2.771 ( 0.421 0.000 -5.774) 5.789 2.850 ( 3.985 0.000 3.455) 5.274 2.960 ( 9.720 0.000 -4.827) 10.852 3.228 ( 10.928 0.000 -10.579) 15.210 3.379 ( 15.638 0.000 9.745) 18.425 3.769 ( 4.980 0.000 3.934) 6.346 4.038 ( 5.571 0.000 0.617) 5.605 4.285 ( -8.949 0.000 2.174) 9.209 4.457 ( -4.598 0.000 0.237) 4.604 4.621 ( -6.004 0.000 -7.266) 9.425 4.716 ( -9.847 0.000 5.798) 11.427 4.887 ( -9.488 0.000 0.940) 9.535 4.912 ( 4.642 0.000 -0.865) 4.722 5.088 ( -0.184 0.000 0.296) 0.349 5.169 ( -1.961 0.000 2.921) 3.518 5.279 ( -3.467 0.000 -4.293) 5.519 5.438 ( 0.383 0.000 -0.315) 0.496 5.541 ( -1.202 0.000 0.216) 1.221 5.607 ( 1.938 0.000 -2.432) 3.109 5.725 ( -1.525 0.000 -4.985) 5.213 5.824 ( 6.748 0.000 5.569) 8.749 6.310 ( -7.197 0.000 1.368) 7.326 6.422 ( 0.824 0.000 -1.922) 2.091 6.710 ( -5.611 0.000 -1.105) 5.719 6.729 ( -3.912 0.000 4.592) 6.033 6.933 ( -6.536 0.000 1.258) 6.656 7.115 ( -1.110 0.000 -0.670) 1.296 7.396 ( -5.944 0.000 -5.110) 7.839 7.497 ( -0.911 0.000 0.433) 1.009 7.537 ( -1.435 0.000 -1.338) 1.962 7.792 ( -0.673 0.000 0.876) 1.104 7.826 ( -1.103 0.000 -1.886) 2.185 8.108 ( -9.604 0.000 -4.036) 10.418 8.361 ( -2.315 0.000 2.809) 3.640 8.574 ( -1.121 0.000 -2.964) 3.169 9.524 ( -2.419 0.000 -5.161) 5.700 9.526 ( -3.582 0.000 6.183) 7.146 13.244 ( 0.889 0.000 -2.466) 2.621 13.547 ( -1.269 0.000 -1.662) 2.091 15.122 ( -3.191 0.000 -4.189) 5.266 15.358 ( -10.259 0.000 11.145) 15.148 17.150 ( 4.488 0.000 -1.579) 4.758 17.389 ( 3.299 0.000 5.583) 6.484 17.740 ( 1.957 0.000 -6.591) 6.876 18.046 ( 0.442 0.000 4.904) 4.924 26.791 ( 0.679 0.000 -0.280) 0.734 26.796 ( 0.667 0.000 0.475) 0.819 27.003 ( -0.497 0.000 1.441) 1.524 27.014 ( -0.082 0.000 -1.034) 1.038 27.248 ( -0.020 0.000 -1.204) 1.204 27.261 ( -0.506 0.000 1.315) 1.409 27.300 ( -0.495 0.000 -0.089) 0.503 27.329 ( -0.260 0.000 0.029) 0.261 34.397 ( 11.335 0.000 -4.049) 12.037 34.507 ( 6.604 0.000 2.264) 6.981 38.010 ( 0.071 0.000 -3.452) 3.453 38.011 ( -1.290 0.000 -0.172) 1.301 38.278 ( -5.257 0.000 -0.680) 5.301 38.411 ( -3.740 0.000 2.450) 4.471 40.031 ( -0.898 0.000 -30.150) 30.163 40.544 ( 0.028 0.000 30.914) 30.914 41.479 ( -1.373 0.000 0.823) 1.601 41.490 ( -0.157 0.000 -1.577) 1.585 41.923 ( -9.913 0.000 1.525) 10.029 42.431 ( -19.235 0.000 14.871) 24.314 44.464 ( -2.720 0.000 1.319) 3.023 44.508 ( -2.354 0.000 -2.039) 3.114 44.736 ( -1.892 0.000 0.068) 1.893 44.818 ( -4.876 0.000 -1.075) 4.993 45.521 ( -0.737 0.000 -0.481) 0.880 45.660 ( -2.235 0.000 1.027) 2.460 45.939 ( 0.809 0.000 -0.636) 1.030 45.975 ( -1.656 0.000 1.239) 2.068 53.850 ( 4.342 0.000 2.180) 4.859 54.557 ( 3.400 0.000 -3.771) 5.077 55.939 ( -3.793 0.000 -5.871) 6.990 55.974 ( -22.756 0.000 25.738) 34.355 ======================= Grid point 190 (98/114) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.775 ( 9.917 0.000 -4.864) 11.046 1.989 ( 14.234 0.000 -1.307) 14.294 2.105 ( 5.620 0.000 1.951) 5.949 2.164 ( 0.610 0.000 2.438) 2.513 2.366 ( 0.448 0.000 0.170) 0.479 2.394 ( 7.325 0.000 3.538) 8.134 2.460 ( -4.015 0.000 3.869) 5.576 2.700 ( -4.182 0.000 -4.726) 6.311 2.982 ( 7.085 0.000 2.366) 7.470 3.117 ( 5.702 0.000 1.338) 5.857 3.462 ( 11.724 0.000 -0.389) 11.730 3.652 ( 8.996 0.000 -0.415) 9.005 3.908 ( 6.775 0.000 5.791) 8.913 4.124 ( -3.976 0.000 1.573) 4.275 4.159 ( 3.224 0.000 -1.128) 3.416 4.325 ( -7.589 0.000 0.862) 7.638 4.504 ( -3.351 0.000 -10.203) 10.740 4.553 ( -7.689 0.000 5.952) 9.724 4.765 ( -2.057 0.000 0.959) 2.269 5.033 ( 6.906 0.000 -1.632) 7.096 5.082 ( -0.604 0.000 2.070) 2.156 5.135 ( -1.946 0.000 2.557) 3.213 5.224 ( -0.451 0.000 -2.205) 2.251 5.408 ( -2.650 0.000 -2.190) 3.437 5.437 ( -7.391 0.000 -2.189) 7.709 5.617 ( -0.699 0.000 -0.628) 0.939 5.705 ( 0.027 0.000 -1.351) 1.351 5.963 ( 4.767 0.000 4.102) 6.289 6.161 ( -6.918 0.000 -0.549) 6.940 6.414 ( -1.247 0.000 -1.582) 2.015 6.627 ( -1.985 0.000 -0.966) 2.208 6.686 ( -1.037 0.000 2.899) 3.079 6.800 ( -6.595 0.000 1.216) 6.706 7.063 ( -3.735 0.000 -0.904) 3.843 7.260 ( -4.905 0.000 -3.247) 5.882 7.460 ( -5.862 0.000 -0.354) 5.873 7.531 ( 2.199 0.000 3.496) 4.130 7.777 ( -1.151 0.000 0.460) 1.240 7.783 ( -2.559 0.000 -2.175) 3.358 7.941 ( -5.650 0.000 -3.452) 6.621 8.334 ( -0.846 0.000 1.529) 1.747 8.526 ( -2.701 0.000 -2.249) 3.515 9.464 ( -1.766 0.000 -5.696) 5.964 9.470 ( -3.516 0.000 5.886) 6.856 13.256 ( 1.024 0.000 -1.181) 1.563 13.499 ( -2.788 0.000 -2.094) 3.487 15.046 ( -2.790 0.000 -5.117) 5.828 15.184 ( -9.304 0.000 8.702) 12.739 17.244 ( 5.127 0.000 -1.315) 5.293 17.460 ( 1.979 0.000 4.836) 5.226 17.758 ( 1.974 0.000 -6.233) 6.538 18.034 ( -2.731 0.000 4.414) 5.191 26.802 ( 0.452 0.000 -0.158) 0.479 26.807 ( 0.390 0.000 0.238) 0.457 26.996 ( -0.506 0.000 1.356) 1.447 27.007 ( -0.248 0.000 -1.093) 1.121 27.245 ( -0.012 0.000 -0.941) 0.941 27.254 ( -0.527 0.000 0.996) 1.127 27.292 ( -0.262 0.000 0.084) 0.275 27.321 ( -0.461 0.000 -0.117) 0.476 34.593 ( 8.888 0.000 -4.956) 10.177 34.635 ( 5.146 0.000 2.835) 5.875 37.984 ( -1.149 0.000 -0.572) 1.283 38.005 ( 0.351 0.000 -3.138) 3.157 38.177 ( -3.981 0.000 -1.430) 4.230 38.336 ( -4.511 0.000 3.323) 5.603 39.904 ( -2.316 0.000 -22.546) 22.664 40.515 ( -11.813 0.000 28.577) 30.923 41.458 ( -0.717 0.000 0.805) 1.078 41.484 ( 0.068 0.000 -2.001) 2.002 41.765 ( -6.112 0.000 2.165) 6.484 42.058 ( -18.116 0.000 5.321) 18.882 44.426 ( -1.376 0.000 0.953) 1.674 44.460 ( -1.786 0.000 -1.247) 2.179 44.696 ( -1.891 0.000 -0.195) 1.901 44.729 ( -3.583 0.000 0.043) 3.583 45.517 ( 0.256 0.000 0.403) 0.478 45.624 ( -1.592 0.000 0.232) 1.609 45.943 ( -0.128 0.000 -1.024) 1.032 45.943 ( -1.531 0.000 0.525) 1.619 53.964 ( 6.164 0.000 0.715) 6.205 54.537 ( -4.381 0.000 -1.794) 4.734 55.682 ( -11.408 0.000 16.359) 19.944 55.841 ( -4.160 0.000 -6.542) 7.753 ======================= Grid point 191 (99/114) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 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| 1.924 ( 6.049 0.000 -1.709) 6.285 2.097 ( -2.093 0.000 0.557) 2.165 2.199 ( 3.088 0.000 -1.812) 3.580 2.299 ( 11.530 0.000 1.108) 11.583 2.353 ( -2.453 0.000 1.612) 2.935 2.429 ( 0.907 0.000 0.546) 1.058 2.536 ( 4.463 0.000 1.239) 4.632 2.613 ( -3.130 0.000 -0.931) 3.265 3.108 ( 4.305 0.000 -0.042) 4.305 3.180 ( -0.329 0.000 4.909) 4.920 3.658 ( 6.614 0.000 5.527) 8.620 3.750 ( 3.120 0.000 -7.787) 8.389 4.035 ( -3.023 0.000 1.584) 3.413 4.039 ( 2.519 0.000 6.784) 7.236 4.204 ( -3.020 0.000 1.014) 3.185 4.245 ( 3.215 0.000 -5.744) 6.582 4.433 ( -0.353 0.000 -9.897) 9.904 4.450 ( -4.351 0.000 7.932) 9.046 4.801 ( 4.820 0.000 0.799) 4.886 5.060 ( -2.953 0.000 0.689) 3.033 5.118 ( -0.173 0.000 2.428) 2.434 5.146 ( 3.997 0.000 -0.476) 4.025 5.220 ( -3.176 0.000 -0.731) 3.259 5.330 ( -4.109 0.000 -2.600) 4.862 5.337 ( 3.294 0.000 -3.258) 4.633 5.569 ( -4.068 0.000 0.790) 4.144 5.716 ( 1.418 0.000 2.060) 2.501 5.936 ( -7.236 0.000 -0.401) 7.247 6.144 ( 5.078 0.000 0.071) 5.078 6.360 ( -3.708 0.000 -0.994) 3.839 6.609 ( -0.071 0.000 -0.129) 0.147 6.687 ( -4.687 0.000 1.008) 4.794 6.721 ( 4.013 0.000 0.706) 4.075 6.964 ( -5.725 0.000 -0.815) 5.783 7.194 ( -0.981 0.000 -0.167) 0.995 7.323 ( -6.627 0.000 -0.466) 6.643 7.588 ( 2.411 0.000 2.008) 3.138 7.713 ( -3.659 0.000 -0.724) 3.730 7.760 ( -0.307 0.000 1.268) 1.304 7.846 ( -3.186 0.000 -3.539) 4.762 8.341 ( 1.215 0.000 0.845) 1.480 8.457 ( -3.421 0.000 -1.537) 3.751 9.423 ( -0.451 0.000 -6.063) 6.079 9.427 ( -2.405 0.000 5.893) 6.365 13.286 ( 2.182 0.000 0.335) 2.208 13.426 ( -3.670 0.000 -2.079) 4.218 14.988 ( -1.104 0.000 -5.217) 5.333 15.048 ( -6.173 0.000 6.736) 9.136 17.345 ( 5.073 0.000 -1.386) 5.259 17.482 ( -1.270 0.000 3.684) 3.897 17.798 ( 3.958 0.000 -5.591) 6.850 17.970 ( -4.667 0.000 4.185) 6.269 26.809 ( 0.256 0.000 -0.026) 0.257 26.813 ( 0.102 0.000 0.034) 0.107 26.992 ( -0.282 0.000 1.241) 1.272 26.999 ( -0.215 0.000 -1.112) 1.132 27.242 ( 0.027 0.000 -0.744) 0.745 27.247 ( -0.412 0.000 0.760) 0.864 27.291 ( 0.156 0.000 0.229) 0.277 27.310 ( -0.555 0.000 -0.235) 0.602 34.717 ( 4.773 0.000 -5.191) 7.051 34.725 ( 2.596 0.000 3.684) 4.507 37.966 ( -0.337 0.000 -0.630) 0.714 37.995 ( -0.931 0.000 -1.293) 1.593 38.132 ( 0.578 0.000 -3.012) 3.067 38.251 ( -4.780 0.000 3.905) 6.172 39.855 ( 4.046 0.000 -16.196) 16.693 40.267 ( -18.419 0.000 21.920) 28.631 41.457 ( 0.206 0.000 1.319) 1.335 41.479 ( -0.014 0.000 -2.190) 2.190 41.688 ( -2.236 0.000 2.028) 3.019 41.793 ( -8.600 0.000 -0.403) 8.610 44.412 ( -0.338 0.000 0.704) 0.781 44.429 ( -0.999 0.000 -0.712) 1.227 44.663 ( -1.113 0.000 -0.317) 1.157 44.675 ( -1.911 0.000 0.310) 1.936 45.531 ( 0.988 0.000 0.885) 1.327 45.593 ( -1.546 0.000 -0.456) 1.612 45.922 ( -0.645 0.000 0.703) 0.954 45.932 ( -0.485 0.000 -1.197) 1.291 54.097 ( 6.907 0.000 -0.626) 6.935 54.399 ( -8.019 0.000 0.409) 8.029 55.599 ( -1.782 0.000 10.964) 11.108 55.735 ( -4.053 0.000 -7.543) 8.563 ======================= Grid point 192 (100/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -4.481 0.000 0.529) 4.512 2.024 ( 4.481 0.000 -0.529) 4.512 2.278 ( 4.813 0.000 -1.886) 5.169 2.278 ( -4.813 0.000 1.886) 5.169 2.446 ( -1.399 0.000 -1.061) 1.756 2.446 ( 1.399 0.000 1.061) 1.756 2.577 ( 0.526 0.000 -0.961) 1.096 2.577 ( -0.526 0.000 0.961) 1.096 3.160 ( 2.136 0.000 -3.652) 4.231 3.160 ( -2.136 0.000 3.652) 4.231 3.754 ( -0.754 0.000 -8.071) 8.106 3.754 ( 0.754 0.000 8.071) 8.106 4.026 ( 1.990 0.000 -1.397) 2.432 4.026 ( -1.990 0.000 1.397) 2.432 4.232 ( -2.027 0.000 -5.821) 6.164 4.232 ( 2.027 0.000 5.821) 6.164 4.421 ( 1.521 0.000 -8.540) 8.674 4.421 ( -1.521 0.000 8.540) 8.674 4.939 ( -7.750 0.000 -0.416) 7.762 4.939 ( 7.750 0.000 0.416) 7.762 5.143 ( -1.500 0.000 -3.841) 4.123 5.143 ( 1.500 0.000 3.841) 4.123 5.238 ( -3.836 0.000 -2.943) 4.835 5.238 ( 3.836 0.000 2.943) 4.835 5.460 ( -6.903 0.000 2.060) 7.203 5.460 ( 6.903 0.000 -2.060) 7.203 5.792 ( -5.411 0.000 -3.214) 6.294 5.792 ( 5.411 0.000 3.214) 6.294 6.261 ( -5.617 0.000 -0.717) 5.663 6.261 ( 5.617 0.000 0.717) 5.663 6.623 ( 1.870 0.000 -0.858) 2.057 6.623 ( -1.870 0.000 0.858) 2.057 6.835 ( -6.436 0.000 -0.526) 6.458 6.835 ( 6.436 0.000 0.526) 6.458 7.218 ( -3.202 0.000 -0.883) 3.321 7.218 ( 3.202 0.000 0.883) 3.321 7.643 ( -3.009 0.000 0.073) 3.010 7.643 ( 3.009 0.000 -0.073) 3.010 7.784 ( -1.882 0.000 -3.199) 3.711 7.784 ( 1.882 0.000 3.199) 3.711 8.387 ( -2.916 0.000 -0.956) 3.069 8.387 ( 2.916 0.000 0.956) 3.069 9.410 ( 0.991 0.000 -6.076) 6.157 9.410 ( -0.991 0.000 6.076) 6.157 13.347 ( -3.423 0.000 -1.503) 3.739 13.347 ( 3.423 0.000 1.503) 3.739 14.981 ( 2.238 0.000 -5.560) 5.993 14.981 ( -2.238 0.000 5.560) 5.993 17.434 ( 4.033 0.000 -2.127) 4.560 17.434 ( -4.033 0.000 2.127) 4.560 17.880 ( 5.282 0.000 -4.538) 6.964 17.880 ( -5.282 0.000 4.538) 6.964 26.813 ( -0.098 0.000 -0.038) 0.105 26.813 ( 0.098 0.000 0.038) 0.105 26.993 ( -0.010 0.000 -1.154) 1.154 26.993 ( 0.010 0.000 1.154) 1.154 27.242 ( 0.202 0.000 -0.669) 0.699 27.242 ( -0.202 0.000 0.669) 0.699 27.299 ( -0.463 0.000 -0.281) 0.542 27.299 ( 0.463 0.000 0.281) 0.542 34.757 ( 0.775 0.000 -4.613) 4.678 34.757 ( -0.775 0.000 4.613) 4.678 37.971 ( -0.897 0.000 0.180) 0.915 37.971 ( 0.897 0.000 -0.180) 0.915 38.172 ( 3.938 0.000 -3.978) 5.597 38.172 ( -3.938 0.000 3.978) 5.597 39.985 ( 13.427 0.000 -15.934) 20.837 39.985 ( -13.427 0.000 15.934) 20.837 41.469 ( -0.352 0.000 -1.948) 1.980 41.469 ( 0.352 0.000 1.948) 1.980 41.689 ( -1.984 0.000 -1.654) 2.583 41.689 ( 1.984 0.000 1.654) 2.583 44.414 ( -0.323 0.000 -0.589) 0.671 44.414 ( 0.323 0.000 0.589) 0.671 44.653 ( 0.292 0.000 -0.333) 0.443 44.653 ( -0.292 0.000 0.333) 0.443 45.560 ( -1.469 0.000 -0.915) 1.731 45.560 ( 1.469 0.000 0.915) 1.731 45.921 ( -0.184 0.000 -1.074) 1.089 45.921 ( 0.184 0.000 1.074) 1.089 54.241 ( -7.670 0.000 1.168) 7.759 54.241 ( 7.670 0.000 -1.168) 7.759 55.642 ( -2.464 0.000 -8.671) 9.014 55.642 ( 2.464 0.000 8.671) 9.014 ======================= Grid point 199 (101/114) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -0.645 16.974 -10.509) 19.975 1.328 ( 0.645 16.974 10.509) 19.975 1.682 ( -3.954 6.405 -12.408) 14.513 1.682 ( 3.954 6.405 12.408) 14.513 2.193 ( 1.391 -8.549 -3.560) 9.365 2.193 ( -1.391 -8.549 3.560) 9.365 2.481 ( -2.353 5.811 -14.028) 15.366 2.481 ( 2.353 5.811 14.028) 15.366 2.610 ( 1.573 -2.676 -11.371) 11.787 2.610 ( -1.573 -2.676 11.371) 11.787 3.055 ( 0.104 -2.154 -5.264) 5.689 3.055 ( -0.104 -2.154 5.264) 5.689 3.788 ( -2.693 5.883 -2.973) 7.121 3.788 ( 2.693 5.883 2.973) 7.121 4.670 ( -2.044 -3.774 -1.162) 4.446 4.670 ( 2.044 -3.774 1.162) 4.446 4.751 ( 0.415 -3.117 -2.900) 4.278 4.751 ( -0.415 -3.117 2.900) 4.278 4.972 ( -6.336 -4.254 -1.764) 7.833 4.972 ( 6.336 -4.254 1.764) 7.833 5.153 ( 0.275 -4.467 -1.746) 4.803 5.153 ( -0.275 -4.467 1.746) 4.803 5.441 ( -0.009 5.709 -1.749) 5.971 5.441 ( 0.009 5.709 1.749) 5.971 5.491 ( -1.185 1.690 -1.172) 2.374 5.491 ( 1.185 1.690 1.172) 2.374 5.725 ( 2.849 1.579 -4.725) 5.739 5.725 ( -2.849 1.579 4.725) 5.739 6.477 ( 2.038 3.057 -5.711) 6.791 6.477 ( -2.038 3.057 5.711) 6.791 6.896 ( 1.878 -8.017 -3.458) 8.931 6.896 ( -1.878 -8.017 3.458) 8.931 7.085 ( -4.871 6.393 -1.740) 8.224 7.085 ( 4.871 6.393 1.740) 8.224 7.516 ( -1.529 3.161 -2.359) 4.230 7.516 ( 1.529 3.161 2.359) 4.230 7.746 ( -2.322 -2.672 -3.349) 4.873 7.746 ( 2.322 -2.672 3.349) 4.873 8.214 ( -8.169 -15.442 -4.314) 17.995 8.214 ( 8.169 -15.442 4.314) 17.995 8.579 ( 2.167 7.976 -3.874) 9.128 8.579 ( -2.167 7.976 3.874) 9.128 9.500 ( 0.816 -10.940 -4.589) 11.891 9.500 ( -0.816 -10.940 4.589) 11.891 13.832 ( 4.987 31.359 -10.930) 33.581 13.832 ( -4.987 31.359 10.930) 33.581 15.428 ( -4.454 -0.878 -3.819) 5.933 15.428 ( 4.454 -0.878 3.819) 5.933 17.179 ( -3.379 7.634 -6.431) 10.539 17.179 ( 3.379 7.634 6.431) 10.539 17.796 ( -3.108 4.148 -3.066) 6.023 17.796 ( 3.108 4.148 3.066) 6.023 26.788 ( 0.013 2.236 -1.164) 2.521 26.788 ( -0.013 2.236 1.164) 2.521 26.985 ( -0.223 -1.598 -0.390) 1.660 26.985 ( 0.223 -1.598 0.390) 1.660 27.280 ( 0.017 1.446 -1.843) 2.343 27.280 ( -0.017 1.446 1.843) 2.343 27.342 ( -0.085 0.981 -0.971) 1.383 27.342 ( 0.085 0.981 0.971) 1.383 35.270 ( -3.376 94.318 -33.180) 100.041 35.270 ( 3.376 94.318 33.180) 100.041 38.080 ( -1.240 3.712 -1.536) 4.204 38.080 ( 1.240 3.712 1.536) 4.204 38.461 ( 0.629 -3.659 -1.169) 3.893 38.461 ( -0.629 -3.659 1.169) 3.893 39.724 ( -4.438 -10.188 -26.988) 29.187 39.724 ( 4.438 -10.188 26.988) 29.187 41.550 ( -0.102 2.512 -0.851) 2.654 41.550 ( 0.102 2.512 0.851) 2.654 42.411 ( -2.149 -8.100 -7.713) 11.389 42.411 ( 2.149 -8.100 7.713) 11.389 44.592 ( -0.647 -2.285 -1.829) 2.997 44.592 ( 0.647 -2.285 1.829) 2.997 44.917 ( -4.934 4.541 -0.655) 6.738 44.917 ( 4.934 4.541 0.655) 6.738 45.734 ( -1.188 -3.546 -6.395) 7.408 45.734 ( 1.188 -3.546 6.395) 7.408 45.871 ( -1.053 0.491 -1.066) 1.576 45.871 ( 1.053 0.491 1.066) 1.576 54.030 ( -8.125 3.693 2.267) 9.208 54.030 ( 8.125 3.693 -2.267) 9.208 56.413 ( -5.088 -3.915 -25.721) 26.510 56.413 ( 5.088 -3.915 25.721) 26.510 ======================= Grid point 201 (102/114) ======================= q-point: ( 0.08 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 3.625 16.123 -3.261) 16.844 1.494 ( 9.995 14.077 -2.231) 17.408 1.592 ( 0.120 8.234 -9.361) 12.468 1.824 ( 6.085 5.505 11.099) 13.803 2.151 ( -1.210 -9.141 2.381) 9.524 2.263 ( 3.097 -6.121 -0.453) 6.874 2.457 ( 2.291 -0.809 -4.137) 4.798 2.632 ( 5.443 -1.832 -13.653) 14.812 2.647 ( 7.331 6.639 18.844) 21.281 2.654 ( 3.237 -2.722 4.540) 6.205 2.990 ( -1.083 0.307 -2.675) 2.902 3.122 ( 3.343 -0.920 -4.744) 5.876 3.734 ( -1.701 4.541 -0.727) 4.903 3.861 ( 3.431 4.675 3.301) 6.673 4.580 ( -4.196 -0.429 -0.995) 4.333 4.621 ( -5.802 -3.974 3.663) 7.929 4.757 ( -0.122 -5.239 2.679) 5.885 4.782 ( -4.758 -4.821 -3.524) 7.635 4.908 ( 4.561 -4.129 -4.194) 7.447 5.083 ( -0.160 -0.640 2.561) 2.645 5.105 ( 3.610 -1.920 0.779) 4.162 5.262 ( 5.507 -3.931 -0.340) 6.775 5.375 ( -4.040 3.314 -0.083) 5.226 5.441 ( -3.027 0.746 -1.749) 3.574 5.490 ( 1.690 5.902 -0.901) 6.205 5.512 ( 0.986 1.181 0.606) 1.654 5.681 ( -1.552 4.108 4.307) 6.151 5.769 ( 2.212 -0.870 -4.035) 4.683 6.409 ( -4.265 2.694 4.418) 6.705 6.492 ( -1.006 1.052 -3.000) 3.334 6.845 ( -4.299 -6.706 4.777) 9.288 6.904 ( -0.991 -6.526 -2.380) 7.017 6.982 ( -3.199 2.027 -2.062) 4.312 7.150 ( 0.509 5.810 1.864) 6.123 7.488 ( -0.628 -1.239 -2.971) 3.279 7.557 ( 1.546 6.806 1.320) 7.103 7.688 ( -2.003 -2.187 -3.815) 4.832 7.794 ( 1.443 -2.599 1.903) 3.530 7.951 ( -13.390 -11.684 -5.654) 18.649 8.288 ( -2.254 -12.584 0.505) 12.795 8.569 ( -0.533 6.535 2.536) 7.030 8.642 ( 4.173 8.601 -2.471) 9.875 9.488 ( -0.831 -10.809 0.933) 10.881 9.504 ( -0.283 -10.022 0.135) 10.027 13.630 ( -10.262 30.415 5.437) 32.557 13.951 ( 3.698 27.814 -8.860) 29.425 15.283 ( -7.366 -1.034 2.462) 7.835 15.514 ( -0.045 -2.980 7.112) 7.711 17.121 ( -0.456 6.715 -3.130) 7.422 17.291 ( 4.730 7.298 8.040) 11.844 17.743 ( -0.860 3.655 -4.733) 6.042 17.897 ( 5.164 2.983 2.967) 6.661 26.788 ( 0.302 1.997 -0.269) 2.038 26.798 ( 0.514 2.455 0.702) 2.605 26.978 ( -0.208 -1.866 0.099) 1.880 26.995 ( 0.404 -1.592 0.080) 1.644 27.271 ( -0.314 1.115 -1.092) 1.592 27.286 ( -0.000 1.638 1.097) 1.972 27.327 ( -0.797 0.599 0.006) 0.997 27.350 ( 0.146 1.094 0.183) 1.118 35.011 ( -9.839 80.656 -9.740) 81.836 35.412 ( -0.999 94.636 19.114) 96.552 38.030 ( -2.303 0.768 -2.544) 3.516 38.100 ( 0.047 4.040 0.158) 4.043 38.423 ( -2.533 -3.350 1.179) 4.362 38.476 ( -0.181 -2.313 0.727) 2.431 39.656 ( 5.764 -21.480 -25.538) 33.864 39.987 ( 10.737 -8.804 20.373) 24.655 41.527 ( -1.387 1.574 -0.172) 2.105 41.551 ( -0.618 2.425 -0.164) 2.508 42.256 ( -8.846 -6.892 1.546) 11.320 42.516 ( 1.272 -11.604 8.936) 14.701 44.561 ( -1.643 -1.378 -1.450) 2.589 44.598 ( -0.733 -1.688 0.933) 2.063 44.815 ( -4.317 2.176 -0.936) 4.924 44.980 ( 0.305 2.835 -1.165) 3.080 45.631 ( -4.576 -2.034 -3.231) 5.960 45.748 ( -1.677 -1.752 1.580) 2.895 45.874 ( 1.566 0.245 0.500) 1.662 45.932 ( 2.665 -1.121 2.616) 3.899 53.913 ( -3.741 6.926 3.893) 8.782 54.214 ( 9.816 -0.446 -1.775) 9.985 56.207 ( -7.447 0.065 -9.269) 11.890 56.536 ( -4.832 -4.017 31.124) 31.752 ======================= Grid point 202 (103/114) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 9.399 12.266 -6.129) 16.624 1.578 ( 6.550 6.510 -14.644) 17.313 1.771 ( 12.301 10.605 5.814) 17.251 1.987 ( 5.813 2.641 13.028) 14.508 2.149 ( 0.892 -6.762 1.376) 6.958 2.315 ( 2.108 -2.065 -0.087) 2.953 2.511 ( 1.458 -6.111 5.510) 8.357 2.636 ( -1.785 -8.727 0.375) 8.915 2.819 ( 11.944 6.593 -5.621) 14.755 2.857 ( 9.466 2.175 -4.716) 10.797 3.059 ( 6.292 3.888 7.627) 10.625 3.179 ( 6.104 1.736 -6.470) 9.063 3.722 ( 0.492 2.595 1.865) 3.233 3.946 ( 4.132 1.661 2.422) 5.070 4.452 ( -8.495 -2.004 3.101) 9.263 4.524 ( -4.053 -0.130 -0.387) 4.074 4.681 ( -3.368 -5.182 -4.664) 7.743 4.740 ( -3.357 -4.652 4.405) 7.233 4.937 ( 0.635 1.072 -3.079) 3.321 5.097 ( 0.454 -1.768 0.229) 1.840 5.125 ( -5.031 4.905 -0.317) 7.034 5.282 ( -2.938 1.065 3.205) 4.476 5.353 ( 0.830 -2.477 -1.796) 3.170 5.403 ( 0.497 0.411 -1.024) 1.211 5.500 ( 1.507 4.944 -0.398) 5.184 5.549 ( 2.718 0.447 -0.539) 2.807 5.710 ( 2.677 1.666 3.838) 4.967 5.783 ( 0.257 -0.686 -4.125) 4.190 6.347 ( -3.394 -1.414 4.988) 6.197 6.418 ( -4.599 -0.861 -4.494) 6.488 6.752 ( -5.977 -5.494 5.225) 9.654 6.840 ( -3.726 0.985 -1.711) 4.217 6.961 ( 0.567 -9.146 -2.151) 9.413 7.110 ( -4.786 4.312 2.303) 6.842 7.458 ( -1.947 -6.010 -3.605) 7.274 7.557 ( -2.493 6.088 -1.114) 6.673 7.631 ( -3.761 1.097 -3.946) 5.560 7.733 ( -3.975 -7.026 -0.827) 8.115 7.816 ( 0.393 -2.135 -0.305) 2.192 8.177 ( -7.669 -8.887 -0.915) 11.774 8.552 ( -1.659 9.222 2.059) 9.593 8.702 ( 2.131 9.444 -2.260) 9.942 9.464 ( -1.505 -10.428 -1.958) 10.717 9.490 ( -1.616 -8.023 3.356) 8.845 13.487 ( -5.216 24.487 4.377) 25.416 13.944 ( -1.074 24.326 -9.372) 26.091 15.156 ( -5.903 -3.297 2.343) 7.156 15.458 ( -7.311 -4.796 7.903) 11.786 17.137 ( 2.445 5.628 -1.826) 6.402 17.401 ( 3.501 6.394 8.134) 10.923 17.726 ( 0.754 2.120 -6.550) 6.926 17.997 ( 3.155 0.746 4.318) 5.400 26.797 ( 0.576 1.779 -0.049) 1.871 26.811 ( 0.576 2.481 0.531) 2.602 26.976 ( -0.106 -2.158 0.443) 2.205 27.000 ( 0.082 -1.616 -0.162) 1.627 27.261 ( -0.333 0.799 -0.860) 1.220 27.286 ( -0.223 1.637 0.885) 1.874 27.311 ( -0.759 0.163 0.159) 0.792 27.348 ( -0.315 0.923 0.048) 0.977 34.872 ( -1.922 62.993 -2.208) 63.061 35.387 ( -4.157 82.423 8.163) 82.931 37.979 ( -1.804 -3.162 -4.107) 5.489 38.088 ( -1.169 3.220 -0.267) 3.436 38.359 ( -3.926 -1.761 0.207) 4.308 38.458 ( -2.044 -0.912 2.347) 3.243 39.706 ( 4.681 -30.737 -27.731) 41.662 40.209 ( 3.531 -17.370 26.101) 31.551 41.499 ( -1.255 0.540 -0.071) 1.368 41.527 ( -1.519 1.371 -0.314) 2.070 42.065 ( -10.320 -5.602 2.537) 12.014 42.474 ( -9.286 -15.935 12.872) 22.491 44.521 ( -1.940 0.211 -0.648) 2.056 44.568 ( -2.266 -0.064 -0.023) 2.267 44.744 ( -2.621 -1.195 -0.290) 2.895 44.915 ( -5.399 -1.098 -1.935) 5.840 45.562 ( -1.597 0.897 -1.428) 2.323 45.706 ( -2.506 -0.616 1.205) 2.848 45.911 ( 1.683 -0.064 -0.062) 1.686 45.970 ( 0.290 -1.519 2.022) 2.546 53.905 ( 1.462 9.369 4.834) 10.644 54.397 ( 8.512 -3.340 -2.287) 9.426 56.062 ( -5.636 2.517 -3.879) 7.290 56.375 ( -18.925 -0.328 28.476) 34.193 ======================= Grid point 203 (104/114) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 9.740 6.550 -8.689) 14.604 1.752 ( 12.555 3.002 -4.306) 13.608 2.019 ( 9.986 8.152 2.881) 13.209 2.095 ( 1.758 -3.817 8.930) 9.869 2.230 ( 5.950 -1.138 2.286) 6.475 2.344 ( 1.096 -0.341 -0.740) 1.366 2.492 ( -4.145 -5.540 6.123) 9.239 2.640 ( 1.852 -7.990 -1.317) 8.307 3.000 ( 3.560 9.413 0.738) 10.090 3.017 ( 9.095 4.828 -4.322) 11.168 3.215 ( 12.250 0.099 -7.146) 14.183 3.404 ( 12.911 0.754 5.308) 13.980 3.770 ( 3.347 0.371 4.199) 5.382 4.040 ( 4.444 -0.943 1.085) 4.671 4.296 ( -7.388 1.402 3.323) 8.221 4.453 ( -2.798 -0.668 -0.274) 2.890 4.595 ( -3.787 -1.583 -6.808) 7.949 4.633 ( -7.672 -4.169 4.127) 9.658 4.957 ( -7.250 5.198 -0.193) 8.923 4.984 ( 2.643 2.469 -1.524) 3.924 5.078 ( -2.129 -1.245 0.901) 2.625 5.243 ( -1.670 3.536 1.968) 4.378 5.307 ( -3.778 3.985 -1.481) 5.688 5.406 ( -0.545 -0.163 -0.793) 0.976 5.560 ( 2.261 0.761 -0.334) 2.409 5.611 ( 2.959 1.057 -0.784) 3.239 5.732 ( -1.690 -0.224 -3.886) 4.244 5.815 ( 4.412 -0.567 3.830) 5.870 6.248 ( -7.224 -3.636 -0.240) 8.092 6.343 ( -1.774 -4.346 -1.038) 4.808 6.653 ( -4.845 -5.625 4.584) 8.725 6.759 ( -3.344 2.773 -1.902) 4.742 6.962 ( -0.721 -11.345 -1.743) 11.500 6.995 ( -6.145 4.021 1.916) 7.589 7.355 ( -6.683 -6.321 -4.496) 10.239 7.465 ( -4.654 -3.906 -0.664) 6.112 7.581 ( -0.975 5.418 1.407) 5.682 7.719 ( 0.284 -3.291 -0.179) 3.308 7.809 ( -0.732 -1.535 -1.820) 2.491 8.006 ( -8.005 -6.303 -1.692) 10.328 8.522 ( -1.722 11.583 1.531) 11.810 8.711 ( -0.565 10.674 -1.993) 10.873 9.417 ( -2.190 -9.388 -3.302) 10.190 9.455 ( -2.919 -6.839 4.112) 8.498 13.433 ( -1.662 19.358 3.457) 19.735 13.870 ( -3.252 21.698 -8.268) 23.447 15.056 ( -4.517 -5.445 0.686) 7.108 15.293 ( -10.387 -6.112 6.270) 13.585 17.200 ( 4.080 4.777 -1.406) 6.437 17.477 ( 1.746 5.356 6.922) 8.924 17.731 ( 1.639 0.624 -6.679) 6.905 18.040 ( -0.270 -0.956 4.471) 4.580 26.809 ( 0.538 1.603 0.042) 1.691 26.823 ( 0.468 2.277 0.259) 2.339 26.975 ( -0.228 -2.168 0.743) 2.303 26.998 ( -0.202 -1.579 -0.490) 1.666 27.253 ( -0.260 0.579 -0.538) 0.833 27.282 ( -0.411 1.590 0.623) 1.756 27.297 ( -0.618 -0.173 0.239) 0.685 27.339 ( -0.576 0.584 -0.135) 0.831 34.898 ( 3.977 48.929 0.101) 49.090 35.327 ( -2.833 66.740 0.865) 66.806 37.933 ( -1.287 -6.537 -5.012) 8.337 38.053 ( -2.081 1.482 -0.419) 2.589 38.272 ( -4.304 -0.072 -0.957) 4.409 38.411 ( -3.408 0.333 3.786) 5.105 39.644 ( -2.354 -34.137 -24.774) 42.245 40.269 ( -6.158 -28.462 29.460) 41.423 41.477 ( -0.997 0.062 0.247) 1.029 41.495 ( -1.221 0.256 -0.758) 1.460 41.876 ( -8.653 -3.200 2.797) 9.640 42.233 ( -16.310 -15.069 8.581) 23.806 44.481 ( -1.900 1.625 0.312) 2.520 44.518 ( -2.298 0.891 -0.857) 2.609 44.698 ( -2.026 -2.713 -0.030) 3.386 44.794 ( -5.431 -2.607 -0.904) 6.092 45.543 ( -0.408 2.040 -0.171) 2.088 45.662 ( -2.025 -0.052 0.645) 2.126 45.935 ( 0.648 -0.315 -0.507) 0.881 45.964 ( -1.068 -0.915 0.828) 1.632 53.985 ( 4.749 11.102 4.232) 12.795 54.530 ( 5.076 -2.608 -2.898) 6.400 55.922 ( -9.315 0.749 1.161) 9.417 56.032 ( -17.898 2.692 15.267) 23.678 ======================= Grid point 204 (105/114) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 8.438 1.784 -4.732) 9.838 2.014 ( 12.889 -0.063 -0.273) 12.892 2.143 ( 2.459 2.028 -0.032) 3.187 2.159 ( 2.184 0.897 3.129) 3.920 2.319 ( 2.118 -4.633 0.447) 5.113 2.406 ( 5.004 1.290 2.551) 5.763 2.446 ( -1.244 -0.535 3.352) 3.616 2.629 ( -2.622 -5.609 -2.196) 6.570 3.074 ( 4.806 7.641 0.623) 9.048 3.171 ( 5.992 4.803 0.875) 7.729 3.461 ( 11.355 0.245 0.241) 11.360 3.638 ( 8.472 -1.851 -0.768) 8.705 3.872 ( 4.777 -2.067 5.030) 7.239 4.112 ( 0.870 -3.178 1.424) 3.590 4.198 ( -1.696 5.435 2.142) 6.083 4.394 ( -3.435 4.292 -0.988) 5.585 4.491 ( -3.798 -2.544 -2.576) 5.248 4.513 ( -3.849 -1.134 -1.644) 4.336 4.828 ( -3.725 3.089 1.514) 5.070 5.039 ( -1.722 -2.962 2.904) 4.491 5.069 ( 4.011 2.263 -3.335) 5.686 5.210 ( -2.367 7.368 3.388) 8.448 5.251 ( -0.075 2.308 -3.686) 4.349 5.361 ( -3.937 -0.164 -0.323) 3.954 5.536 ( -3.532 4.661 -2.942) 6.547 5.641 ( -0.045 2.096 0.249) 2.111 5.704 ( 0.216 0.510 -1.281) 1.396 5.920 ( 3.633 -3.662 3.399) 6.178 6.105 ( -5.434 -2.964 -2.422) 6.647 6.299 ( -2.633 -6.905 -0.059) 7.390 6.596 ( -1.876 -6.309 3.157) 7.300 6.714 ( -0.282 3.587 -1.394) 3.858 6.856 ( -6.494 2.411 1.207) 7.031 6.945 ( -1.987 -8.319 -1.586) 8.699 7.209 ( -6.052 -5.324 -2.060) 8.319 7.352 ( -6.598 -8.638 0.200) 10.871 7.583 ( 0.459 3.891 2.548) 4.674 7.719 ( -0.230 -2.390 -0.241) 2.413 7.775 ( -2.203 -0.714 -1.614) 2.823 7.865 ( -5.117 -4.783 -2.191) 7.339 8.497 ( -0.960 12.245 0.564) 12.295 8.671 ( -2.793 11.097 -1.546) 11.547 9.364 ( -1.791 -8.588 -3.667) 9.508 9.402 ( -3.344 -6.601 3.617) 8.237 13.431 ( 0.462 17.030 3.179) 17.330 13.770 ( -4.357 19.708 -6.766) 21.287 14.975 ( -3.450 -6.492 -0.634) 7.378 15.105 ( -9.209 -7.047 4.584) 12.469 17.287 ( 4.780 3.946 -1.264) 6.326 17.514 ( 0.148 3.425 5.252) 6.272 17.752 ( 2.309 0.332 -5.861) 6.308 18.018 ( -2.973 -1.735 4.036) 5.304 26.819 ( 0.381 1.499 0.117) 1.551 26.831 ( 0.226 1.996 -0.005) 2.009 26.972 ( -0.262 -1.994 0.913) 2.209 26.990 ( -0.332 -1.548 -0.745) 1.750 27.248 ( -0.120 0.492 -0.228) 0.556 27.273 ( -0.629 1.333 0.300) 1.504 27.289 ( -0.213 -0.177 0.356) 0.451 27.326 ( -0.662 0.246 -0.294) 0.765 35.000 ( 5.244 40.416 1.112) 40.770 35.278 ( -1.873 52.877 -2.646) 52.976 37.900 ( -0.448 -9.004 -4.971) 10.295 38.003 ( -2.730 -1.354 -0.034) 3.047 38.194 ( -2.629 1.949 -1.959) 3.814 38.344 ( -4.395 1.266 4.831) 6.653 39.514 ( -3.044 -34.053 -16.576) 37.995 40.128 ( -15.540 -36.818 25.199) 47.244 41.460 ( -0.682 0.126 0.596) 0.915 41.479 ( -0.240 -0.414 -1.252) 1.340 41.742 ( -5.331 -1.413 2.336) 5.990 41.937 ( -13.003 -8.439 1.970) 15.626 44.450 ( -1.252 2.167 0.628) 2.580 44.475 ( -1.622 1.379 -0.864) 2.298 44.660 ( -1.714 -2.851 -0.037) 3.326 44.701 ( -3.546 -2.674 -0.119) 4.443 45.540 ( 0.061 1.943 0.512) 2.011 45.628 ( -1.533 0.155 0.151) 1.548 45.934 ( -0.623 -0.429 -0.194) 0.781 45.944 ( -0.729 -0.260 -0.300) 0.830 54.107 ( 5.992 11.899 2.708) 13.595 54.569 ( -0.613 2.044 -2.567) 3.338 55.679 ( -12.266 0.168 11.969) 17.139 55.831 ( -6.814 -1.159 -3.407) 7.706 ======================= Grid point 205 (106/114) ======================= q-point: ( 0.42 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 6.217 -0.032 -1.731) 6.453 2.121 ( -2.860 -0.112 -0.051) 2.863 2.169 ( 2.440 -1.228 -1.107) 2.947 2.306 ( 10.042 -0.110 1.329) 10.130 2.330 ( -1.273 -1.564 0.769) 2.159 2.453 ( 0.805 1.532 0.793) 1.904 2.507 ( 3.595 -1.691 0.824) 4.058 2.569 ( -1.880 -3.783 0.056) 4.225 3.170 ( 3.868 5.505 -1.093) 6.816 3.242 ( 0.052 5.092 4.446) 6.760 3.650 ( 6.219 -0.521 5.649) 8.418 3.737 ( 3.155 -1.862 -7.153) 8.037 3.959 ( 2.190 -2.148 3.811) 4.892 4.085 ( -2.733 0.105 2.397) 3.636 4.229 ( 2.660 4.101 0.938) 4.977 4.332 ( -1.594 3.987 -1.542) 4.562 4.440 ( -0.206 0.819 -5.538) 5.602 4.465 ( -1.685 1.488 1.958) 2.982 4.828 ( 3.107 0.659 0.865) 3.292 5.008 ( -2.371 -4.828 1.861) 5.692 5.102 ( 0.132 1.413 1.183) 1.848 5.209 ( 1.419 3.685 -0.152) 3.952 5.244 ( -5.877 2.305 -2.786) 6.900 5.263 ( 0.241 0.572 -1.153) 1.309 5.480 ( 0.463 7.148 -3.300) 7.887 5.612 ( -3.157 3.597 2.006) 5.190 5.720 ( 1.648 1.049 1.122) 2.253 5.902 ( -5.301 -2.479 -0.584) 5.881 6.088 ( 3.705 -3.817 -0.889) 5.393 6.241 ( -3.222 -7.363 0.665) 8.065 6.598 ( 1.380 -6.210 1.083) 6.453 6.729 ( -0.601 -0.188 -0.324) 0.708 6.744 ( -2.369 4.799 0.165) 5.354 6.880 ( -3.829 -5.991 -0.974) 7.177 7.118 ( -2.182 -6.069 -0.233) 6.453 7.217 ( -6.096 -8.634 0.159) 10.571 7.610 ( 1.525 1.888 1.438) 2.821 7.713 ( -3.289 -0.065 0.215) 3.296 7.716 ( 0.004 -2.033 0.850) 2.203 7.784 ( -2.490 -3.633 -3.201) 5.445 8.493 ( 0.723 11.820 0.003) 11.843 8.598 ( -3.669 11.024 -0.947) 11.657 9.329 ( -0.534 -8.161 -3.631) 8.948 9.351 ( -2.540 -7.111 3.285) 8.234 13.471 ( 2.490 16.634 3.538) 17.188 13.658 ( -4.775 18.242 -5.423) 19.621 14.917 ( -1.748 -6.804 -1.559) 7.196 14.965 ( -5.520 -7.284 3.359) 9.737 17.380 ( 4.645 3.067 -1.359) 5.730 17.510 ( -1.900 1.925 3.369) 4.320 17.796 ( 3.662 0.126 -4.666) 5.933 17.952 ( -4.459 -1.720 3.717) 6.055 26.825 ( 0.250 1.483 0.207) 1.518 26.833 ( -0.013 1.743 -0.193) 1.754 26.971 ( -0.109 -1.793 0.963) 2.038 26.981 ( -0.297 -1.565 -0.881) 1.820 27.247 ( 0.077 0.556 -0.030) 0.562 27.261 ( -0.575 0.968 0.077) 1.129 27.290 ( 0.181 -0.047 0.434) 0.473 27.311 ( -0.630 0.041 -0.409) 0.752 35.101 ( 4.057 36.819 2.254) 37.110 35.231 ( -1.868 42.892 -3.798) 43.100 37.889 ( 0.683 -9.441 -3.797) 10.199 37.948 ( -2.696 -4.509 0.884) 5.327 38.165 ( 0.585 3.041 -3.145) 4.414 38.266 ( -4.656 1.906 5.109) 7.171 39.464 ( 2.873 -33.734 -10.884) 35.562 39.839 ( -17.603 -38.161 16.783) 45.252 41.457 ( 0.108 0.004 0.951) 0.957 41.473 ( -0.059 -0.467 -1.409) 1.486 41.673 ( -2.127 -0.896 1.786) 2.918 41.745 ( -6.194 -3.262 -0.800) 7.046 44.435 ( -0.446 2.057 0.581) 2.183 44.447 ( -0.903 1.651 -0.581) 1.969 44.632 ( -0.929 -2.593 -0.056) 2.755 44.647 ( -1.834 -2.480 0.058) 3.085 45.549 ( 0.660 1.425 0.839) 1.780 45.599 ( -1.392 0.372 -0.393) 1.493 45.920 ( -0.488 -0.129 0.460) 0.683 45.930 ( -0.516 -0.225 -0.917) 1.076 54.238 ( 6.340 11.842 1.341) 13.499 54.498 ( -5.298 7.773 -1.396) 9.510 55.561 ( -2.866 -3.067 9.041) 9.968 55.694 ( -5.326 -3.775 -5.738) 8.692 ======================= Grid point 206 (107/114) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -5.419 0.179 0.515) 5.447 2.025 ( 5.419 0.179 -0.515) 5.447 2.248 ( -3.290 -2.478 0.593) 4.161 2.248 ( 3.290 -2.478 -0.593) 4.161 2.456 ( -2.361 0.489 -0.859) 2.560 2.456 ( 2.361 0.489 0.859) 2.560 2.546 ( 0.999 -2.280 -1.215) 2.770 2.546 ( -0.999 -2.280 1.215) 2.770 3.222 ( 2.311 5.119 -4.113) 6.962 3.222 ( -2.311 5.119 4.113) 6.962 3.741 ( -0.702 -1.495 -8.098) 8.265 3.741 ( 0.702 -1.495 8.098) 8.265 4.018 ( -3.100 0.611 -0.945) 3.298 4.018 ( 3.100 0.611 0.945) 3.298 4.293 ( -1.847 3.154 -3.818) 5.286 4.293 ( 1.847 3.154 3.818) 5.286 4.441 ( 1.466 2.495 -7.519) 8.057 4.441 ( -1.466 2.495 7.519) 8.057 4.929 ( -5.546 -2.613 0.120) 6.132 4.929 ( 5.546 -2.613 -0.120) 6.132 5.133 ( -2.607 0.890 -3.688) 4.603 5.133 ( 2.607 0.890 3.688) 4.603 5.246 ( 0.270 1.601 -3.000) 3.411 5.246 ( -0.270 1.601 3.000) 3.411 5.535 ( 4.421 5.760 -3.159) 7.918 5.535 ( -4.421 5.760 3.159) 7.918 5.789 ( -3.966 0.199 -2.786) 4.851 5.789 ( 3.966 0.199 2.786) 4.851 6.170 ( -1.309 -6.143 -1.066) 6.371 6.170 ( 1.309 -6.143 1.066) 6.371 6.650 ( -3.236 -3.013 -0.018) 4.421 6.650 ( 3.236 -3.013 0.018) 4.421 6.797 ( -3.093 -0.587 -0.255) 3.159 6.797 ( 3.093 -0.587 0.255) 3.159 7.126 ( -2.675 -7.310 -0.262) 7.789 7.126 ( 2.675 -7.310 0.262) 7.789 7.652 ( -1.310 0.731 -0.271) 1.524 7.652 ( 1.310 0.731 0.271) 1.524 7.736 ( -1.326 -2.541 -2.749) 3.971 7.736 ( 1.326 -2.541 2.749) 3.971 8.529 ( -2.699 11.195 -0.298) 11.520 8.529 ( 2.699 11.195 0.298) 11.520 9.323 ( 1.136 -7.753 -5.399) 9.516 9.323 ( -1.136 -7.753 5.399) 9.516 13.551 ( -4.043 17.197 -4.483) 18.226 13.551 ( 4.043 17.197 4.483) 18.226 14.905 ( 1.211 -7.046 -5.662) 9.120 14.905 ( -1.211 -7.046 5.662) 9.120 17.460 ( 3.358 2.166 -1.924) 4.436 17.460 ( -3.358 2.166 1.924) 4.436 17.869 ( 4.501 -0.934 -3.889) 6.022 17.869 ( -4.501 -0.934 3.889) 6.022 26.830 ( -0.086 1.565 -0.384) 1.614 26.830 ( 0.086 1.565 0.384) 1.614 26.974 ( -0.067 -1.644 -1.099) 1.979 26.974 ( 0.067 -1.644 1.099) 1.979 27.251 ( 0.024 0.727 -0.630) 0.963 27.251 ( -0.024 0.727 0.630) 0.963 27.299 ( -0.471 -0.026 -0.456) 0.656 27.299 ( 0.471 -0.026 0.456) 0.656 35.176 ( -2.357 37.582 -3.786) 37.846 35.176 ( 2.357 37.582 3.786) 37.846 37.905 ( 1.853 -7.476 -2.190) 8.008 37.905 ( -1.853 -7.476 2.190) 8.008 38.196 ( 3.369 2.608 -4.493) 6.192 38.196 ( -3.369 2.608 4.493) 6.192 39.577 ( 11.247 -35.453 -11.010) 38.790 39.577 ( -11.247 -35.453 11.010) 38.790 41.465 ( -0.248 -0.268 -1.394) 1.441 41.465 ( 0.248 -0.268 1.394) 1.441 41.669 ( -1.260 -1.345 -1.569) 2.420 41.669 ( 1.260 -1.345 1.569) 2.420 44.434 ( -0.221 1.829 -0.507) 1.911 44.434 ( 0.221 1.829 0.507) 1.911 44.626 ( -0.033 -2.415 -0.239) 2.427 44.626 ( 0.033 -2.415 0.239) 2.427 45.570 ( -1.171 0.828 -0.810) 1.647 45.570 ( 1.171 0.828 0.810) 1.647 45.919 ( -0.163 -0.129 -0.868) 0.892 45.919 ( 0.163 -0.129 0.868) 0.892 54.371 ( -6.432 10.839 -0.845) 12.632 54.371 ( 6.432 10.839 0.845) 12.632 55.590 ( -1.961 -4.544 -8.594) 9.917 55.590 ( 1.961 -4.544 8.594) 9.917 ======================= Grid point 213 (108/114) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 1.359 11.742 -12.273) 17.040 1.659 ( -1.359 11.742 12.273) 17.040 1.858 ( -0.634 7.445 -5.550) 9.307 1.858 ( 0.634 7.445 5.550) 9.307 1.988 ( 3.296 -9.378 -8.676) 13.194 1.988 ( -3.296 -9.378 8.676) 13.194 2.459 ( 2.775 -4.462 -11.031) 12.219 2.459 ( -2.775 -4.462 11.031) 12.219 2.712 ( 0.811 8.863 -19.491) 21.427 2.712 ( -0.811 8.863 19.491) 21.427 2.963 ( -1.600 -5.981 -9.084) 10.993 2.963 ( 1.600 -5.981 9.084) 10.993 3.907 ( -1.619 3.749 -2.026) 4.559 3.907 ( 1.619 3.749 2.026) 4.559 4.559 ( 0.598 -4.062 -0.965) 4.217 4.559 ( -0.598 -4.062 0.965) 4.217 4.711 ( 2.204 -0.772 -1.943) 3.038 4.711 ( -2.204 -0.772 1.943) 3.038 4.924 ( -4.588 -0.740 -0.866) 4.727 4.924 ( 4.588 -0.740 0.866) 4.727 5.098 ( -0.443 -1.022 -1.184) 1.625 5.098 ( 0.443 -1.022 1.184) 1.625 5.479 ( -0.667 0.078 -0.716) 0.982 5.479 ( 0.667 0.078 0.716) 0.982 5.605 ( -1.771 5.791 -0.976) 6.134 5.605 ( 1.771 5.791 0.976) 6.134 5.717 ( 0.436 -2.164 -2.940) 3.676 5.717 ( -0.436 -2.164 2.940) 3.676 6.551 ( 1.724 4.062 -6.303) 7.694 6.551 ( -1.724 4.062 6.303) 7.694 6.713 ( 1.349 -7.594 -4.441) 8.901 6.713 ( -1.349 -7.594 4.441) 8.901 7.236 ( -3.236 5.804 -1.826) 6.891 7.236 ( 3.236 5.804 1.826) 6.891 7.552 ( -3.325 -0.413 -1.152) 3.543 7.552 ( 3.325 -0.413 1.152) 3.543 7.724 ( -1.104 1.303 -2.678) 3.177 7.724 ( 1.104 1.303 2.678) 3.177 7.923 ( -4.948 -9.537 -4.253) 11.555 7.923 ( 4.948 -9.537 4.253) 11.555 8.835 ( 0.754 15.063 -1.040) 15.117 8.835 ( -0.754 15.063 1.040) 15.117 9.191 ( -0.731 -16.641 -2.316) 16.817 9.191 ( 0.731 -16.641 2.316) 16.817 14.328 ( 3.761 12.093 -7.834) 14.892 14.328 ( -3.761 12.093 7.834) 14.892 15.406 ( -0.719 -0.826 -2.006) 2.285 15.406 ( 0.719 -0.826 2.006) 2.285 17.308 ( -1.718 3.312 -3.192) 4.910 17.308 ( 1.718 3.312 3.192) 4.910 17.884 ( -1.565 2.806 -0.703) 3.289 17.884 ( 1.565 2.806 0.703) 3.289 26.835 ( -0.063 1.678 -0.779) 1.851 26.835 ( 0.063 1.678 0.779) 1.851 26.946 ( -0.182 -1.597 -0.367) 1.648 26.946 ( 0.182 -1.597 0.367) 1.648 27.315 ( -0.055 1.385 -1.641) 2.148 27.315 ( 0.055 1.385 1.641) 2.148 27.349 ( -0.067 -0.249 -1.525) 1.547 27.349 ( 0.067 -0.249 1.525) 1.547 37.232 ( -7.822 66.539 -47.618) 82.196 37.232 ( 7.822 66.539 47.618) 82.196 38.192 ( -1.648 6.401 -0.148) 6.611 38.192 ( 1.648 6.401 0.148) 6.611 38.368 ( -0.709 -3.750 -1.321) 4.038 38.368 ( 0.709 -3.750 1.321) 4.038 39.359 ( -6.475 -21.601 -34.618) 41.315 39.359 ( 6.475 -21.601 34.618) 41.315 41.626 ( 0.670 3.640 -0.951) 3.821 41.626 ( -0.670 3.640 0.951) 3.821 42.205 ( 0.082 -8.329 -6.721) 10.703 42.205 ( -0.082 -8.329 6.721) 10.703 44.552 ( -0.273 -1.116 -0.837) 1.421 44.552 ( 0.273 -1.116 0.837) 1.421 45.011 ( -3.079 3.085 -0.434) 4.380 45.011 ( 3.079 3.085 0.434) 4.380 45.657 ( -0.584 -2.622 -2.560) 3.711 45.657 ( 0.584 -2.622 2.560) 3.711 45.877 ( -0.340 0.136 -0.481) 0.604 45.877 ( 0.340 0.136 0.481) 0.604 54.107 ( -2.305 2.480 0.612) 3.441 54.107 ( 2.305 2.480 -0.612) 3.441 56.333 ( -1.759 -2.561 -10.117) 10.583 56.333 ( 1.759 -2.561 10.117) 10.583 ======================= Grid point 215 (109/114) ======================= q-point: ( 0.08 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.291 13.047 2.460) 13.281 1.767 ( 6.095 9.079 0.546) 10.949 1.826 ( 1.985 9.410 -4.316) 10.542 1.922 ( -2.382 -5.626 9.326) 11.149 1.974 ( 6.526 1.691 -5.229) 8.532 2.089 ( 6.426 -8.713 -3.802) 11.474 2.404 ( -3.860 -1.898 11.694) 12.460 2.475 ( -2.191 -7.797 6.692) 10.506 2.749 ( 9.118 7.152 -18.625) 21.936 2.809 ( 6.715 5.019 -3.388) 9.042 2.974 ( 5.164 -0.493 -0.915) 5.267 3.056 ( 4.710 -5.194 3.934) 8.040 3.852 ( -2.997 5.544 0.500) 6.322 3.925 ( -0.426 -0.161 3.078) 3.111 4.501 ( -3.618 -1.498 1.632) 4.242 4.567 ( -2.882 -7.084 0.534) 7.666 4.648 ( -0.822 3.442 -0.519) 3.576 4.731 ( -0.907 -3.558 -1.303) 3.896 4.928 ( 3.738 4.051 -3.045) 6.297 5.023 ( 1.122 -3.924 -0.719) 4.144 5.109 ( 5.328 1.375 2.302) 5.965 5.166 ( 5.262 -3.842 1.489) 6.683 5.415 ( -5.092 0.808 -2.298) 5.645 5.436 ( -4.713 -1.175 -2.418) 5.426 5.579 ( 0.099 5.135 0.623) 5.174 5.619 ( -0.312 3.473 1.323) 3.730 5.718 ( 0.508 -0.861 1.387) 1.710 5.737 ( 0.597 -1.324 0.499) 1.536 6.506 ( -4.635 5.633 7.068) 10.157 6.538 ( -1.399 4.232 -5.850) 7.355 6.670 ( -4.076 -8.200 4.579) 10.238 6.705 ( -0.813 -8.952 -4.068) 9.867 7.126 ( -6.166 8.076 -2.569) 10.480 7.241 ( -3.088 -0.225 0.528) 3.141 7.478 ( -3.765 2.610 -1.295) 4.761 7.602 ( -0.329 -5.199 0.660) 5.251 7.681 ( -1.748 0.368 -2.973) 3.468 7.736 ( -0.430 -3.831 -1.613) 4.179 7.812 ( -2.164 5.155 0.470) 5.611 8.011 ( 0.939 -11.803 1.559) 11.943 8.811 ( -0.398 15.084 1.169) 15.134 8.895 ( 3.380 14.289 -0.317) 14.687 9.172 ( -0.309 -16.994 -1.072) 17.031 9.225 ( 1.458 -15.154 2.177) 15.379 14.204 ( -8.352 18.443 4.305) 20.699 14.345 ( -0.552 6.231 -7.932) 10.101 15.298 ( -7.499 3.391 2.985) 8.755 15.414 ( -2.884 -5.990 1.670) 6.855 17.277 ( -0.285 6.488 -1.544) 6.675 17.363 ( 2.461 -0.941 3.256) 4.188 17.862 ( -0.608 5.801 0.354) 5.844 17.934 ( 2.369 -0.465 2.202) 3.267 26.835 ( 0.265 2.012 -0.020) 2.030 26.846 ( 0.652 1.443 0.715) 1.737 26.938 ( -0.334 -1.268 -0.205) 1.327 26.951 ( 0.208 -2.044 0.093) 2.056 27.301 ( -0.672 1.378 -0.890) 1.773 27.317 ( -0.370 0.411 0.087) 0.560 27.337 ( -0.515 0.836 0.318) 1.032 27.357 ( 0.029 -0.484 0.664) 0.822 36.858 ( -14.725 75.570 -33.315) 83.890 37.410 ( -4.915 58.777 45.111) 74.256 38.083 ( -11.058 11.874 1.617) 16.306 38.204 ( -1.217 5.424 1.049) 5.657 38.329 ( -0.149 -4.971 3.451) 6.053 38.421 ( 1.447 -2.723 4.630) 5.563 39.095 ( -5.746 -22.276 -40.439) 46.525 39.501 ( -2.445 -37.893 26.865) 46.514 41.582 ( -2.989 3.111 0.008) 4.314 41.607 ( -2.300 1.698 -1.060) 3.050 42.113 ( -6.276 -3.411 3.569) 7.985 42.221 ( -2.719 -12.640 5.404) 14.013 44.543 ( -0.314 -0.171 -0.725) 0.809 44.558 ( 0.032 -1.506 0.830) 1.720 44.895 ( -6.908 4.850 -1.286) 8.538 44.988 ( -5.074 -2.638 -0.910) 5.790 45.620 ( -0.815 1.602 -1.350) 2.247 45.685 ( 0.296 -3.673 -0.512) 3.720 45.887 ( 1.240 0.837 0.751) 1.674 45.908 ( 1.692 -1.087 1.315) 2.403 54.073 ( -0.481 6.868 3.887) 7.906 54.181 ( 4.195 -3.072 1.455) 5.399 56.260 ( -3.171 5.173 1.243) 6.193 56.407 ( -1.179 -7.442 13.851) 15.768 ======================= Grid point 216 (110/114) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 4.473 9.958 3.074) 11.341 1.812 ( 2.287 14.675 -11.617) 18.856 1.900 ( 1.091 -9.120 6.223) 11.094 1.993 ( 8.667 5.224 2.629) 10.456 2.091 ( 5.855 0.507 -5.065) 7.758 2.219 ( 6.732 -6.832 -0.959) 9.639 2.391 ( -1.305 -3.336 10.426) 11.024 2.437 ( -2.058 -6.849 8.922) 11.434 2.944 ( 12.795 5.147 -11.437) 17.917 2.967 ( 11.653 4.265 -9.756) 15.785 3.123 ( 6.027 1.876 5.009) 8.059 3.173 ( 7.547 -2.215 0.376) 7.874 3.807 ( -1.588 5.334 2.994) 6.320 3.925 ( -0.127 -4.257 3.345) 5.415 4.428 ( -4.186 0.919 2.725) 5.079 4.480 ( -4.316 -3.165 1.051) 5.454 4.639 ( -1.016 1.067 -4.404) 4.644 4.681 ( -3.928 -2.160 -1.332) 4.677 4.982 ( 2.647 2.879 -1.587) 4.221 5.041 ( 1.582 -2.612 0.830) 3.164 5.218 ( -3.093 2.117 -0.032) 3.749 5.250 ( 0.025 -2.070 1.664) 2.656 5.308 ( 0.259 -0.194 -1.771) 1.801 5.353 ( 1.319 -3.159 -0.278) 3.434 5.601 ( 1.695 3.857 0.236) 4.220 5.632 ( 1.336 3.314 0.329) 3.588 5.725 ( -0.290 -0.722 -0.442) 0.895 5.742 ( 0.045 -1.762 1.087) 2.071 6.408 ( -6.757 6.373 5.447) 10.768 6.461 ( -4.326 6.119 -5.440) 9.260 6.587 ( -5.308 -9.098 5.455) 11.862 6.664 ( -1.889 -11.753 -4.018) 12.564 6.997 ( -5.263 7.422 -2.668) 9.481 7.142 ( -5.697 -3.705 -0.633) 6.825 7.382 ( -5.718 1.524 -0.351) 5.928 7.493 ( -7.562 -7.028 0.043) 10.324 7.688 ( 1.719 1.961 -2.415) 3.554 7.745 ( 1.072 -1.167 -2.936) 3.336 7.783 ( -1.986 6.532 2.322) 7.211 7.974 ( -4.305 -9.586 0.555) 10.524 8.814 ( 0.113 14.939 0.598) 14.951 8.954 ( 2.051 13.239 0.108) 13.397 9.165 ( -0.223 -16.055 -1.335) 16.112 9.253 ( 0.358 -13.257 2.734) 13.541 14.050 ( -7.370 22.181 3.455) 23.628 14.281 ( -2.849 3.069 -8.350) 9.341 15.136 ( -9.241 3.640 4.268) 10.810 15.301 ( -8.396 -9.226 1.732) 12.594 17.290 ( 1.869 7.656 -0.865) 7.928 17.425 ( 2.626 -3.907 2.659) 5.407 17.852 ( -0.603 7.756 0.341) 7.787 17.977 ( 0.832 -3.247 3.311) 4.711 26.843 ( 0.479 2.255 0.206) 2.314 26.863 ( 0.697 1.515 0.699) 1.808 26.931 ( -0.300 -1.304 -0.119) 1.343 26.954 ( 0.018 -2.366 -0.072) 2.367 27.284 ( -0.669 1.156 -0.627) 1.476 27.303 ( -0.770 -0.453 -0.224) 0.921 27.329 ( -0.511 1.599 0.696) 1.817 27.354 ( -0.499 -0.505 0.427) 0.829 36.500 ( -11.876 77.160 -19.981) 80.585 37.321 ( -15.420 71.979 36.330) 82.089 37.786 ( -13.220 -12.770 -15.869) 24.283 38.147 ( -4.751 0.654 0.968) 4.893 38.338 ( -1.167 1.707 4.768) 5.197 38.457 ( -0.264 1.517 10.351) 10.465 38.922 ( -1.968 -30.732 -28.783) 42.152 39.441 ( -9.995 -54.006 24.287) 60.054 41.524 ( -2.503 1.560 -0.114) 2.952 41.546 ( -2.985 -0.044 -0.494) 3.026 41.982 ( -7.585 0.030 4.197) 8.669 42.123 ( -8.134 -13.166 5.184) 16.321 44.535 ( -0.382 0.898 -0.557) 1.124 44.556 ( -0.464 -0.928 0.677) 1.239 44.758 ( -5.876 2.813 -1.162) 6.618 44.847 ( -7.268 -4.605 -1.345) 8.708 45.609 ( -0.309 3.099 -0.651) 3.182 45.673 ( -1.137 -2.498 -0.030) 2.745 45.916 ( 1.221 0.611 0.268) 1.392 45.938 ( 0.745 -1.323 0.905) 1.768 54.121 ( 3.820 9.546 5.239) 11.540 54.292 ( 6.332 -6.371 1.688) 9.140 56.169 ( -7.220 7.035 2.994) 10.516 56.316 ( -12.057 -5.407 14.164) 19.370 ======================= Grid point 217 (111/114) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 5.682 9.423 0.613) 11.021 1.837 ( 5.721 8.212 -8.117) 12.886 1.969 ( 4.304 -6.555 5.010) 9.306 2.112 ( 1.204 -10.837 -4.101) 11.649 2.208 ( 7.394 8.165 0.045) 11.015 2.333 ( 4.737 -2.202 0.368) 5.236 2.411 ( 0.820 -0.352 8.730) 8.776 2.476 ( 2.408 -6.112 4.170) 7.781 3.139 ( 9.590 5.677 -5.088) 12.251 3.206 ( 2.942 5.700 -0.866) 6.473 3.224 ( 13.689 2.513 -3.790) 14.424 3.368 ( 9.585 -4.547 2.616) 10.926 3.815 ( 1.331 4.516 4.500) 6.513 3.952 ( 1.920 -6.809 3.362) 7.833 4.354 ( -3.772 3.548 3.377) 6.182 4.422 ( -1.974 -2.402 2.057) 3.728 4.565 ( -4.887 -0.287 -3.805) 6.200 4.583 ( -3.726 -1.279 -4.859) 6.255 4.998 ( -4.847 1.356 2.446) 5.596 5.035 ( -2.746 -1.816 1.145) 3.485 5.111 ( 0.067 6.109 -2.844) 6.739 5.223 ( 0.574 -3.758 -3.710) 5.312 5.372 ( 2.295 2.469 3.891) 5.148 5.426 ( 1.994 -1.646 1.938) 3.231 5.614 ( -0.156 4.267 -2.211) 4.809 5.682 ( 3.240 4.784 0.203) 5.782 5.695 ( -1.570 -2.806 -2.864) 4.306 5.775 ( 2.741 -3.467 1.535) 4.679 6.276 ( -6.942 7.227 1.150) 10.087 6.348 ( -5.209 5.649 -2.217) 7.997 6.491 ( -5.621 -8.938 5.066) 11.711 6.605 ( -2.640 -14.919 -4.148) 15.709 6.909 ( -2.707 6.071 -2.205) 7.004 7.039 ( -3.960 -3.020 -0.214) 4.985 7.238 ( -8.349 -0.211 0.242) 8.355 7.335 ( -8.339 -6.723 1.257) 10.786 7.698 ( -0.321 3.548 -2.158) 4.165 7.734 ( -1.187 4.368 0.124) 4.528 7.764 ( -0.209 -1.985 -0.984) 2.226 7.869 ( -5.525 -6.421 0.537) 8.487 8.810 ( -0.580 14.879 -0.364) 14.894 8.968 ( -0.769 12.071 0.105) 12.096 9.149 ( -0.796 -14.102 -2.093) 14.279 9.249 ( -1.676 -11.723 2.788) 12.166 13.940 ( -4.474 22.678 3.087) 23.321 14.194 ( -3.199 3.003 -7.756) 8.911 14.965 ( -8.681 0.316 4.556) 9.809 15.109 ( -10.277 -9.996 0.583) 14.349 17.339 ( 2.984 7.393 -0.789) 8.012 17.480 ( 2.024 -4.743 1.894) 5.493 17.838 ( -0.756 7.877 -0.044) 7.913 17.983 ( -1.283 -4.754 3.331) 5.945 26.854 ( 0.418 2.362 0.305) 2.418 26.877 ( 0.461 1.913 0.367) 2.001 26.925 ( -0.269 -1.734 0.119) 1.759 26.952 ( -0.183 -2.493 -0.306) 2.518 27.271 ( -0.487 0.955 -0.255) 1.102 27.289 ( -0.617 -0.604 0.080) 0.867 27.319 ( -0.704 1.519 0.384) 1.717 27.341 ( -0.798 -0.488 0.082) 0.940 36.272 ( -6.072 71.198 -11.654) 72.400 37.027 ( -20.012 80.686 15.791) 84.617 37.544 ( -5.839 -37.567 -14.440) 40.668 38.019 ( -8.365 -9.265 3.415) 12.941 38.310 ( -2.119 5.094 1.560) 5.734 38.464 ( -2.555 5.115 12.221) 13.493 38.806 ( -3.399 -31.429 -13.791) 34.489 39.278 ( -11.824 -57.554 17.449) 61.292 41.484 ( -1.413 0.548 0.039) 1.516 41.495 ( -1.869 -0.333 -0.217) 1.911 41.844 ( -6.739 1.211 2.819) 7.404 41.951 ( -9.186 -9.182 2.567) 13.239 44.524 ( -0.575 1.905 -0.366) 2.023 44.543 ( -1.015 0.763 0.415) 1.336 44.656 ( -3.882 -0.065 -0.638) 3.934 44.714 ( -5.424 -4.218 -0.739) 6.910 45.598 ( -0.607 2.773 0.123) 2.841 45.647 ( -1.379 -1.533 0.279) 2.080 45.932 ( 0.295 0.177 -0.198) 0.397 45.943 ( -0.233 -0.826 0.229) 0.888 54.243 ( 6.242 11.262 4.716) 13.713 54.435 ( 7.012 -6.530 0.623) 9.602 55.979 ( -12.261 3.878 2.405) 13.082 56.047 ( -16.052 -1.599 8.806) 18.379 ======================= Grid point 218 (112/114) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 3.791 7.538 -4.954) 9.785 2.004 ( 6.321 -1.101 -1.328) 6.552 2.093 ( 6.483 -2.854 2.410) 7.482 2.118 ( 2.812 -6.938 0.899) 7.540 2.326 ( 3.546 5.780 0.261) 6.786 2.423 ( 3.935 -1.343 -0.025) 4.158 2.446 ( 0.761 0.975 4.201) 4.379 2.501 ( -1.317 -5.179 1.457) 5.539 3.263 ( 3.310 8.130 -2.070) 9.019 3.289 ( 5.672 4.792 -0.737) 7.461 3.463 ( 9.768 -0.007 2.323) 10.040 3.547 ( 7.296 -6.475 0.095) 9.756 3.885 ( 4.054 4.275 4.374) 7.338 4.016 ( 3.001 -6.114 3.448) 7.633 4.306 ( -1.775 4.252 2.882) 5.435 4.398 ( -1.852 -4.705 2.707) 5.736 4.473 ( -1.781 2.712 -4.156) 5.273 4.508 ( -1.645 -0.524 -6.244) 6.478 4.884 ( -5.287 2.991 3.059) 6.801 4.960 ( -4.084 -3.866 2.822) 6.292 5.153 ( 2.701 4.952 -3.295) 6.532 5.241 ( 1.638 -2.326 -3.351) 4.395 5.392 ( -2.388 4.633 2.091) 5.616 5.400 ( -3.706 2.555 0.562) 4.536 5.609 ( 0.150 3.086 -2.407) 3.916 5.675 ( 1.552 -1.600 -1.600) 2.744 5.744 ( 1.793 4.050 0.811) 4.502 5.834 ( 2.114 -3.914 0.927) 4.544 6.150 ( -5.113 8.295 -1.008) 9.796 6.246 ( -4.508 4.196 0.071) 6.159 6.403 ( -3.971 -10.571 3.676) 11.876 6.540 ( -2.432 -17.205 -4.058) 17.844 6.868 ( -1.025 5.502 -1.690) 5.847 6.978 ( -2.655 0.936 1.082) 3.016 7.068 ( -7.562 -3.194 -0.145) 8.210 7.169 ( -8.031 -7.486 1.467) 11.076 7.674 ( -1.290 4.224 0.279) 4.425 7.716 ( -0.687 1.390 -0.542) 1.642 7.750 ( -0.826 -1.729 -1.856) 2.668 7.771 ( -4.154 -3.866 0.789) 5.729 8.791 ( -0.843 14.499 -1.285) 14.580 8.926 ( -3.121 11.178 0.128) 11.606 9.123 ( -0.953 -12.354 -2.884) 12.722 9.205 ( -3.225 -10.979 2.551) 11.724 13.888 ( -1.514 21.275 3.042) 21.545 14.107 ( -3.156 5.654 -6.702) 9.319 14.820 ( -6.848 -4.098 4.642) 9.232 14.914 ( -8.447 -9.511 -0.948) 12.756 17.400 ( 3.238 6.044 -0.846) 6.909 17.515 ( 0.894 -3.682 1.361) 4.026 17.825 ( -0.372 6.017 -0.538) 6.053 17.950 ( -2.730 -4.742 2.818) 6.154 26.862 ( 0.290 2.381 0.388) 2.429 26.883 ( 0.100 2.412 -0.112) 2.417 26.922 ( -0.143 -2.304 0.462) 2.354 26.945 ( -0.318 -2.488 -0.536) 2.565 27.264 ( -0.225 0.830 0.086) 0.864 27.279 ( -0.388 -0.562 0.351) 0.768 27.305 ( -0.674 1.255 0.041) 1.425 27.324 ( -0.831 -0.479 -0.225) 0.985 36.171 ( -1.616 62.734 -6.477) 63.089 36.672 ( -16.596 66.349 1.906) 68.420 37.445 ( -1.188 -35.935 -7.443) 36.717 37.840 ( -10.321 -21.051 5.963) 24.192 38.276 ( -1.099 6.672 -0.494) 6.780 38.428 ( -4.267 6.200 10.730) 13.107 38.715 ( -2.154 -28.282 -6.292) 29.053 39.080 ( -11.334 -49.451 9.151) 51.552 41.464 ( -0.654 0.264 0.222) 0.739 41.470 ( -0.590 -0.333 -0.259) 0.725 41.734 ( -4.739 0.981 1.572) 5.088 41.791 ( -6.743 -4.595 0.655) 8.186 44.509 ( -0.765 2.781 -0.133) 2.888 44.520 ( -1.235 2.608 0.130) 2.888 44.595 ( -2.105 -2.513 -0.229) 3.286 44.625 ( -3.250 -3.933 -0.141) 5.104 45.587 ( -0.548 2.143 0.461) 2.259 45.621 ( -1.193 -0.950 0.231) 1.543 45.929 ( -0.436 0.036 -0.208) 0.485 45.935 ( -0.501 -0.443 -0.282) 0.726 54.385 ( 6.363 12.003 3.441) 14.014 54.563 ( 5.215 -3.923 -0.470) 6.543 55.710 ( -13.606 2.832 4.881) 14.729 55.783 ( -11.454 -3.252 0.599) 11.922 ======================= Grid point 219 (113/114) ======================= q-point: ( 0.42 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 4.253 3.686 -2.056) 5.992 2.051 ( 1.403 -4.891 -2.021) 5.475 2.175 ( 0.130 1.130 0.858) 1.425 2.231 ( 2.236 -4.163 1.106) 4.854 2.374 ( 3.618 3.957 1.135) 5.481 2.468 ( -0.645 -3.345 1.005) 3.552 2.481 ( 1.987 -0.615 1.000) 2.308 2.488 ( 1.954 -0.524 0.104) 2.026 3.314 ( 2.056 6.439 -2.610) 7.246 3.351 ( 0.243 3.503 2.212) 4.150 3.621 ( 4.578 -1.710 5.181) 7.122 3.656 ( 3.783 -4.826 -2.299) 6.549 3.988 ( 4.578 4.582 2.561) 6.964 4.073 ( 1.224 -1.981 2.512) 3.425 4.303 ( 0.999 2.775 0.192) 2.956 4.362 ( -1.469 -1.685 0.084) 2.237 4.470 ( 1.643 1.752 -3.030) 3.867 4.492 ( 0.909 0.271 -2.122) 2.324 4.821 ( -1.513 0.885 1.906) 2.589 4.893 ( -3.469 -5.121 2.299) 6.599 5.182 ( 0.649 4.658 -0.104) 4.704 5.254 ( -0.760 -0.963 0.457) 1.309 5.303 ( -3.381 2.943 -1.994) 4.906 5.323 ( -3.553 2.251 -2.980) 5.154 5.629 ( 2.290 6.633 -1.418) 7.159 5.707 ( 0.368 3.137 0.750) 3.246 5.762 ( 0.630 2.035 0.940) 2.328 5.847 ( -1.264 -3.349 0.334) 3.595 6.085 ( -0.605 6.283 -1.638) 6.521 6.166 ( -3.716 3.143 1.425) 5.071 6.366 ( -0.410 -13.029 2.268) 13.231 6.474 ( -3.256 -17.738 -3.423) 18.356 6.853 ( 0.119 5.165 -1.398) 5.352 6.912 ( -3.734 5.333 1.704) 6.730 6.978 ( -1.394 -6.460 -0.492) 6.627 7.041 ( -4.774 -6.787 1.177) 8.381 7.658 ( -0.263 2.348 0.485) 2.412 7.698 ( -1.637 -0.742 0.416) 1.844 7.709 ( -1.436 0.028 0.974) 1.735 7.727 ( -0.932 -1.617 -2.308) 2.968 8.778 ( 0.214 13.747 -1.618) 13.843 8.856 ( -3.581 11.550 0.509) 12.103 9.101 ( -0.153 -11.819 -3.246) 12.258 9.146 ( -3.136 -11.122 2.608) 11.846 13.895 ( 1.156 18.828 3.419) 19.171 14.025 ( -3.174 10.322 -5.450) 12.096 14.725 ( -3.641 -7.588 4.327) 9.463 14.773 ( -4.876 -9.330 -2.328) 10.782 17.461 ( 2.869 3.968 -0.887) 4.977 17.524 ( -0.350 -1.303 1.079) 1.728 17.824 ( 0.642 2.768 -1.077) 3.039 17.896 ( -3.053 -3.339 2.210) 5.035 26.868 ( 0.233 2.379 0.475) 2.437 26.881 ( -0.182 2.528 -0.436) 2.572 26.923 ( 0.074 -2.493 0.691) 2.588 26.936 ( -0.334 -2.449 -0.686) 2.565 27.263 ( 0.058 0.744 0.263) 0.791 27.274 ( -0.330 -0.094 0.257) 0.429 27.295 ( -0.244 0.617 0.035) 0.664 27.308 ( -0.658 -0.419 -0.404) 0.879 36.158 ( 1.632 55.890 -2.654) 55.976 36.392 ( -10.894 56.223 -1.230) 57.282 37.441 ( 2.588 -33.345 -5.344) 33.870 37.656 ( -9.339 -29.146 6.459) 31.280 38.270 ( 1.007 7.582 -2.071) 7.924 38.365 ( -4.360 7.196 7.231) 11.094 38.691 ( 1.315 -27.421 -3.113) 27.628 38.890 ( -9.042 -38.464 4.070) 39.721 41.458 ( -0.038 0.170 0.337) 0.379 41.464 ( -0.101 -0.331 -0.336) 0.482 41.665 ( -2.325 0.329 0.873) 2.506 41.688 ( -3.507 -1.850 -0.154) 3.968 44.494 ( -0.605 3.153 0.095) 3.212 44.498 ( -0.820 3.110 -0.073) 3.217 44.566 ( -0.812 -3.296 -0.060) 3.395 44.578 ( -1.510 -3.689 0.044) 3.987 45.581 ( -0.100 1.368 0.500) 1.460 45.601 ( -0.884 -0.353 -0.035) 0.952 45.919 ( -0.376 0.070 0.031) 0.384 45.924 ( -0.446 -0.305 -0.454) 0.706 54.514 ( 5.307 11.324 2.390) 12.732 54.629 ( 1.328 1.643 -1.223) 2.441 55.514 ( -6.489 0.113 4.058) 7.654 55.586 ( -7.578 -5.496 -1.981) 9.569 ======================= Grid point 220 (114/114) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -3.471 0.498 0.321) 3.521 2.034 ( 3.471 0.498 -0.321) 3.521 2.189 ( -3.157 -2.262 0.710) 3.948 2.189 ( 3.157 -2.262 -0.710) 3.948 2.460 ( -2.099 0.024 -0.526) 2.164 2.460 ( 2.099 0.024 0.526) 2.163 2.507 ( -0.057 -1.032 -0.730) 1.265 2.507 ( 0.057 -1.032 0.730) 1.265 3.338 ( 1.477 4.270 -3.140) 5.503 3.338 ( -1.477 4.270 3.140) 5.503 3.683 ( 0.174 -2.996 -5.139) 5.951 3.683 ( -0.174 -2.996 5.139) 5.951 4.066 ( -2.341 2.528 -0.045) 3.446 4.066 ( 2.341 2.528 0.045) 3.446 4.334 ( 1.198 1.303 -0.647) 1.885 4.334 ( -1.198 1.303 0.647) 1.885 4.496 ( 0.645 1.173 -2.216) 2.589 4.496 ( -0.645 1.173 2.216) 2.589 4.835 ( -1.288 -3.735 -0.215) 3.957 4.835 ( 1.288 -3.735 0.215) 3.957 5.200 ( -1.565 3.411 -1.720) 4.128 5.200 ( 1.565 3.411 1.720) 4.128 5.283 ( -0.242 0.761 -2.032) 2.183 5.283 ( 0.242 0.761 2.032) 2.183 5.679 ( 2.010 7.070 -2.498) 7.763 5.679 ( -2.010 7.070 2.498) 7.763 5.801 ( -1.641 -1.034 -0.919) 2.146 5.801 ( 1.641 -1.034 0.919) 2.146 6.105 ( 1.661 3.299 -2.471) 4.444 6.105 ( -1.661 3.299 2.471) 4.444 6.399 ( -2.346 -15.670 -2.881) 16.104 6.399 ( 2.346 -15.670 2.881) 16.104 6.866 ( 1.204 4.509 -1.774) 4.993 6.866 ( -1.204 4.509 1.774) 4.993 6.980 ( 0.159 -5.539 -0.676) 5.582 6.980 ( -0.159 -5.539 0.676) 5.582 7.667 ( 0.566 0.475 -0.701) 1.018 7.667 ( -0.566 0.475 0.701) 1.018 7.707 ( -0.354 -0.461 -1.379) 1.497 7.707 ( 0.354 -0.461 1.379) 1.497 8.798 ( 2.093 12.661 -1.184) 12.887 8.798 ( -2.093 12.661 1.184) 12.887 9.105 ( 1.474 -11.586 -3.434) 12.174 9.105 ( -1.474 -11.586 3.434) 12.174 13.949 ( -2.777 15.210 -4.290) 16.045 13.949 ( 2.777 15.210 4.290) 16.045 14.706 ( -0.438 -9.196 -4.191) 10.116 14.706 ( 0.438 -9.196 4.191) 10.116 17.506 ( 1.429 1.475 -0.930) 2.255 17.506 ( -1.429 1.475 0.930) 2.255 17.848 ( 1.929 -0.714 -1.683) 2.658 17.848 ( -1.929 -0.714 1.683) 2.658 26.875 ( -0.143 2.424 -0.720) 2.533 26.875 ( 0.143 2.424 0.720) 2.533 26.928 ( -0.144 -2.448 -0.959) 2.633 26.928 ( 0.144 -2.448 0.959) 2.633 27.267 ( -0.130 0.539 -0.392) 0.679 27.267 ( 0.130 0.539 0.392) 0.679 27.296 ( -0.305 -0.146 -0.376) 0.506 27.296 ( 0.305 -0.146 0.376) 0.506 36.225 ( -3.753 53.142 -1.526) 53.296 36.225 ( 3.753 53.142 1.526) 53.296 37.514 ( 6.182 -32.132 -5.633) 33.202 37.514 ( -6.182 -32.132 5.633) 33.202 38.304 ( 2.570 7.837 -5.140) 9.718 38.304 ( -2.570 7.837 5.140) 9.718 38.751 ( 1.353 -30.739 -4.418) 31.084 38.751 ( -1.353 -30.739 4.418) 31.084 41.461 ( -0.077 -0.101 -0.447) 0.464 41.461 ( 0.077 -0.101 0.447) 0.464 41.648 ( -0.362 -0.495 -0.630) 0.880 41.648 ( 0.362 -0.495 0.630) 0.879 44.489 ( -0.005 3.094 -0.288) 3.108 44.489 ( 0.005 3.094 0.288) 3.108 44.560 ( -0.234 -3.403 0.019) 3.411 44.560 ( 0.234 -3.403 -0.019) 3.411 45.586 ( -0.440 0.470 -0.341) 0.728 45.586 ( 0.440 0.470 0.341) 0.728 45.917 ( -0.070 -0.092 -0.332) 0.352 45.917 ( 0.070 -0.092 0.332) 0.352 54.606 ( -2.676 7.999 -2.059) 8.682 54.606 ( 2.676 7.999 2.059) 8.682 55.479 ( -0.892 -4.257 -4.894) 6.547 55.479 ( 0.892 -4.257 4.894) 6.547 =================== 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 3/30240 10.0 240.716 140.972 159.859 0.000 30.888 0.000 3/30240 20.0 72.295 47.402 45.239 0.000 4.624 0.000 3/30240 30.0 34.423 22.029 21.932 0.000 1.410 0.000 3/30240 40.0 19.635 12.454 12.712 0.000 0.532 0.000 3/30240 50.0 12.741 8.069 8.309 0.000 0.229 0.000 3/30240 60.0 9.090 5.777 5.945 0.000 0.107 0.000 3/30240 70.0 6.947 4.449 4.548 0.000 0.051 0.000 3/30240 80.0 5.581 3.614 3.655 0.000 0.023 0.000 3/30240 90.0 4.651 3.051 3.046 0.000 0.008 0.000 3/30240 100.0 3.983 2.650 2.608 0.000 -0.001 0.000 3/30240 110.0 3.483 2.352 2.281 0.000 -0.006 0.000 3/30240 120.0 3.097 2.122 2.028 0.000 -0.009 0.000 3/30240 130.0 2.789 1.939 1.827 0.000 -0.010 0.000 3/30240 140.0 2.538 1.788 1.663 0.000 -0.012 0.000 3/30240 150.0 2.329 1.663 1.527 0.000 -0.012 0.000 3/30240 160.0 2.153 1.555 1.413 0.000 -0.012 0.000 3/30240 170.0 2.003 1.463 1.314 0.000 -0.013 0.000 3/30240 180.0 1.873 1.381 1.229 0.000 -0.013 0.000 3/30240 190.0 1.759 1.309 1.155 0.000 -0.012 0.000 3/30240 200.0 1.658 1.245 1.089 0.000 -0.012 0.000 3/30240 210.0 1.568 1.186 1.031 0.000 -0.012 0.000 3/30240 220.0 1.488 1.134 0.978 0.000 -0.012 0.000 3/30240 230.0 1.415 1.085 0.931 0.000 -0.011 0.000 3/30240 240.0 1.349 1.041 0.888 0.000 -0.011 0.000 3/30240 250.0 1.290 1.000 0.849 0.000 -0.011 0.000 3/30240 260.0 1.235 0.962 0.813 0.000 -0.011 0.000 3/30240 270.0 1.184 0.927 0.780 0.000 -0.010 0.000 3/30240 280.0 1.138 0.894 0.749 0.000 -0.010 0.000 3/30240 290.0 1.094 0.864 0.721 0.000 -0.010 0.000 3/30240 300.0 1.054 0.835 0.695 0.000 -0.009 0.000 3/30240 310.0 1.017 0.809 0.671 0.000 -0.009 0.000 3/30240 320.0 0.982 0.783 0.648 0.000 -0.009 0.000 3/30240 330.0 0.950 0.760 0.626 0.000 -0.009 0.000 3/30240 340.0 0.919 0.737 0.606 0.000 -0.008 0.000 3/30240 350.0 0.890 0.716 0.587 0.000 -0.008 0.000 3/30240 360.0 0.863 0.696 0.570 0.000 -0.008 0.000 3/30240 370.0 0.838 0.677 0.553 0.000 -0.008 0.000 3/30240 380.0 0.814 0.659 0.537 0.000 -0.007 0.000 3/30240 390.0 0.791 0.642 0.522 0.000 -0.007 0.000 3/30240 400.0 0.769 0.625 0.508 0.000 -0.007 0.000 3/30240 410.0 0.749 0.610 0.494 0.000 -0.007 0.000 3/30240 420.0 0.729 0.595 0.482 0.000 -0.007 0.000 3/30240 430.0 0.711 0.581 0.469 0.000 -0.006 0.000 3/30240 440.0 0.693 0.567 0.458 0.000 -0.006 0.000 3/30240 450.0 0.676 0.554 0.447 0.000 -0.006 0.000 3/30240 460.0 0.660 0.542 0.436 0.000 -0.006 0.000 3/30240 470.0 0.645 0.530 0.426 0.000 -0.006 0.000 3/30240 480.0 0.630 0.519 0.417 0.000 -0.006 0.000 3/30240 490.0 0.616 0.508 0.407 0.000 -0.006 0.000 3/30240 500.0 0.603 0.497 0.399 0.000 -0.005 0.000 3/30240 510.0 0.590 0.487 0.390 0.000 -0.005 0.000 3/30240 520.0 0.578 0.478 0.382 0.000 -0.005 0.000 3/30240 530.0 0.566 0.468 0.374 0.000 -0.005 0.000 3/30240 540.0 0.555 0.459 0.367 0.000 -0.005 0.000 3/30240 550.0 0.544 0.451 0.359 0.000 -0.005 0.000 3/30240 560.0 0.533 0.443 0.353 0.000 -0.005 0.000 3/30240 570.0 0.523 0.435 0.346 0.000 -0.005 0.000 3/30240 580.0 0.513 0.427 0.339 0.000 -0.005 0.000 3/30240 590.0 0.504 0.419 0.333 0.000 -0.004 0.000 3/30240 600.0 0.495 0.412 0.327 0.000 -0.004 0.000 3/30240 610.0 0.486 0.405 0.322 0.000 -0.004 0.000 3/30240 620.0 0.478 0.398 0.316 0.000 -0.004 0.000 3/30240 630.0 0.470 0.392 0.311 0.000 -0.004 0.000 3/30240 640.0 0.462 0.385 0.305 0.000 -0.004 0.000 3/30240 650.0 0.454 0.379 0.300 0.000 -0.004 0.000 3/30240 660.0 0.447 0.373 0.295 0.000 -0.004 0.000 3/30240 670.0 0.439 0.368 0.291 0.000 -0.004 0.000 3/30240 680.0 0.433 0.362 0.286 0.000 -0.004 0.000 3/30240 690.0 0.426 0.357 0.282 0.000 -0.004 0.000 3/30240 700.0 0.419 0.351 0.277 0.000 -0.004 0.000 3/30240 710.0 0.413 0.346 0.273 0.000 -0.004 0.000 3/30240 720.0 0.407 0.341 0.269 0.000 -0.003 0.000 3/30240 730.0 0.401 0.336 0.265 0.000 -0.003 0.000 3/30240 740.0 0.395 0.332 0.262 0.000 -0.003 0.000 3/30240 750.0 0.390 0.327 0.258 0.000 -0.003 0.000 3/30240 760.0 0.384 0.323 0.254 0.000 -0.003 0.000 3/30240 770.0 0.379 0.318 0.251 0.000 -0.003 0.000 3/30240 780.0 0.374 0.314 0.247 0.000 -0.003 0.000 3/30240 790.0 0.369 0.310 0.244 0.000 -0.003 0.000 3/30240 800.0 0.364 0.306 0.241 0.000 -0.003 0.000 3/30240 810.0 0.359 0.302 0.238 0.000 -0.003 0.000 3/30240 820.0 0.354 0.298 0.235 0.000 -0.003 0.000 3/30240 830.0 0.350 0.295 0.232 0.000 -0.003 0.000 3/30240 840.0 0.345 0.291 0.229 0.000 -0.003 0.000 3/30240 850.0 0.341 0.288 0.226 0.000 -0.003 0.000 3/30240 860.0 0.337 0.284 0.223 0.000 -0.003 0.000 3/30240 870.0 0.333 0.281 0.220 0.000 -0.003 0.000 3/30240 880.0 0.329 0.277 0.218 0.000 -0.003 0.000 3/30240 890.0 0.325 0.274 0.215 0.000 -0.003 0.000 3/30240 900.0 0.321 0.271 0.213 0.000 -0.003 0.000 3/30240 910.0 0.317 0.268 0.210 0.000 -0.003 0.000 3/30240 920.0 0.314 0.265 0.208 0.000 -0.003 0.000 3/30240 930.0 0.310 0.262 0.205 0.000 -0.003 0.000 3/30240 940.0 0.307 0.259 0.203 0.000 -0.003 0.000 3/30240 950.0 0.303 0.257 0.201 0.000 -0.003 0.000 3/30240 960.0 0.300 0.254 0.199 0.000 -0.002 0.000 3/30240 970.0 0.297 0.251 0.197 0.000 -0.002 0.000 3/30240 980.0 0.294 0.248 0.194 0.000 -0.002 0.000 3/30240 990.0 0.291 0.246 0.192 0.000 -0.002 0.000 3/30240 1000.0 0.288 0.243 0.190 0.000 -0.002 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m1256.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:41:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|