----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:40:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.592828880024199 0.000000000000000 0.000000000000000 b 0.000000000000000 5.494055990000000 0.000000000000000 c -1.363767424317360 0.000000000000000 7.610924523197010 Atomic positions (fractional): *1 O 0.16556668804050 0.48950335423234 0.63147707367580 15.999 2 O 0.83443331195950 0.98950335423234 0.86852292632420 15.999 3 O 0.83443331195950 0.51049664576766 0.36852292632419 15.999 4 O 0.16556668804050 0.01049664576766 0.13147707367580 15.999 *5 O 0.11661134276106 0.01278128504072 0.66859964180342 15.999 6 O 0.88338865723894 0.51278128504072 0.83140035819658 15.999 7 O 0.88338865723894 0.98721871495928 0.33140035819658 15.999 8 O 0.11661134276106 0.48721871495928 0.16859964180342 15.999 *9 O 0.33381893614378 0.15265461768255 0.44465640603183 15.999 10 O 0.66618106385622 0.65265461768255 0.05534359396817 15.999 11 O 0.66618106385622 0.84734538231745 0.55534359396817 15.999 12 O 0.33381893614378 0.34734538231745 0.94465640603183 15.999 *13 O 0.44112250383751 0.59160668615632 0.29849529764950 15.999 14 O 0.55887749616249 0.09160668615632 0.20150470235050 15.999 15 O 0.55887749616249 0.40839331384368 0.70150470235050 15.999 16 O 0.44112250383751 0.90839331384368 0.79849529764950 15.999 *17 Pr 0.15280379227958 0.77645566820401 0.40038658408061 140.908 18 Pr 0.84719620772042 0.27645566820401 0.09961341591940 140.908 19 Pr 0.84719620772042 0.22354433179599 0.59961341591939 140.908 20 Pr 0.15280379227958 0.72354433179599 0.90038658408061 140.908 *21 Ta 0.33381276760589 0.26858066872303 0.19694429147100 180.948 22 Ta 0.66618723239411 0.76858066872303 0.30305570852900 180.948 23 Ta 0.66618723239411 0.73141933127697 0.80305570852900 180.948 24 Ta 0.33381276760589 0.23141933127697 0.69694429147100 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.592828880024199 0.000000000000000 0.000000000000000 b 0.000000000000000 5.494055990000000 0.000000000000000 c -1.363767424317360 0.000000000000000 7.610924523197010 Atomic positions (fractional): *1 O 0.16556668804050 0.48950335423234 0.63147707367580 15.999 > 1 2 O 0.83443331195950 0.98950335423234 0.86852292632420 15.999 > 2 3 O 0.83443331195950 0.51049664576766 0.36852292632419 15.999 > 3 4 O 0.16556668804050 0.01049664576766 0.13147707367580 15.999 > 4 *5 O 0.11661134276106 0.01278128504072 0.66859964180342 15.999 > 5 6 O 0.88338865723894 0.51278128504072 0.83140035819658 15.999 > 6 7 O 0.88338865723894 0.98721871495928 0.33140035819658 15.999 > 7 8 O 0.11661134276106 0.48721871495928 0.16859964180342 15.999 > 8 *9 O 0.33381893614378 0.15265461768255 0.44465640603183 15.999 > 9 10 O 0.66618106385622 0.65265461768255 0.05534359396817 15.999 > 10 11 O 0.66618106385622 0.84734538231745 0.55534359396817 15.999 > 11 12 O 0.33381893614378 0.34734538231745 0.94465640603183 15.999 > 12 *13 O 0.44112250383751 0.59160668615632 0.29849529764950 15.999 > 13 14 O 0.55887749616249 0.09160668615632 0.20150470235050 15.999 > 14 15 O 0.55887749616249 0.40839331384368 0.70150470235050 15.999 > 15 16 O 0.44112250383751 0.90839331384368 0.79849529764950 15.999 > 16 *17 Pr 0.15280379227958 0.77645566820401 0.40038658408061 140.908 > 17 18 Pr 0.84719620772042 0.27645566820401 0.09961341591940 140.908 > 18 19 Pr 0.84719620772042 0.22354433179599 0.59961341591939 140.908 > 19 20 Pr 0.15280379227958 0.72354433179599 0.90038658408061 140.908 > 20 *21 Ta 0.33381276760589 0.26858066872303 0.19694429147100 180.948 > 21 22 Ta 0.66618723239411 0.76858066872303 0.30305570852900 180.948 > 22 23 Ta 0.66618723239411 0.73141933127697 0.80305570852900 180.948 > 23 24 Ta 0.33381276760589 0.23141933127697 0.69694429147100 180.948 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.185657760048398 0.000000000000000 0.000000000000000 b 0.000000000000000 10.988111979999999 0.000000000000000 c -1.363767424317360 0.000000000000000 7.610924523197010 Atomic positions (fractional): *1 O 0.08278334402025 0.24475167711617 0.63147707367580 15.999 > 1 2 O 0.58278334402025 0.24475167711617 0.63147707367580 15.999 > 1 3 O 0.08278334402025 0.74475167711617 0.63147707367580 15.999 > 1 4 O 0.58278334402025 0.74475167711617 0.63147707367580 15.999 > 1 5 O 0.41721665597975 0.49475167711617 0.86852292632420 15.999 > 2 6 O 0.91721665597975 0.49475167711617 0.86852292632420 15.999 > 2 7 O 0.41721665597975 0.99475167711617 0.86852292632420 15.999 > 2 8 O 0.91721665597975 0.99475167711617 0.86852292632420 15.999 > 2 9 O 0.41721665597975 0.25524832288383 0.36852292632419 15.999 > 3 10 O 0.91721665597975 0.25524832288383 0.36852292632419 15.999 > 3 11 O 0.41721665597975 0.75524832288383 0.36852292632419 15.999 > 3 12 O 0.91721665597975 0.75524832288383 0.36852292632419 15.999 > 3 13 O 0.08278334402025 0.00524832288383 0.13147707367580 15.999 > 4 14 O 0.58278334402025 0.00524832288383 0.13147707367580 15.999 > 4 15 O 0.08278334402025 0.50524832288383 0.13147707367580 15.999 > 4 16 O 0.58278334402025 0.50524832288383 0.13147707367580 15.999 > 4 *17 O 0.05830567138053 0.00639064252036 0.66859964180342 15.999 > 5 18 O 0.55830567138053 0.00639064252036 0.66859964180342 15.999 > 5 19 O 0.05830567138053 0.50639064252036 0.66859964180342 15.999 > 5 20 O 0.55830567138053 0.50639064252036 0.66859964180342 15.999 > 5 21 O 0.44169432861947 0.25639064252036 0.83140035819658 15.999 > 6 22 O 0.94169432861947 0.25639064252036 0.83140035819658 15.999 > 6 23 O 0.44169432861947 0.75639064252036 0.83140035819658 15.999 > 6 24 O 0.94169432861947 0.75639064252036 0.83140035819658 15.999 > 6 25 O 0.44169432861947 0.49360935747964 0.33140035819658 15.999 > 7 26 O 0.94169432861947 0.49360935747964 0.33140035819658 15.999 > 7 27 O 0.44169432861947 0.99360935747964 0.33140035819658 15.999 > 7 28 O 0.94169432861947 0.99360935747964 0.33140035819658 15.999 > 7 29 O 0.05830567138053 0.24360935747964 0.16859964180342 15.999 > 8 30 O 0.55830567138053 0.24360935747964 0.16859964180342 15.999 > 8 31 O 0.05830567138053 0.74360935747964 0.16859964180342 15.999 > 8 32 O 0.55830567138053 0.74360935747964 0.16859964180342 15.999 > 8 *33 O 0.16690946807189 0.07632730884128 0.44465640603183 15.999 > 9 34 O 0.66690946807189 0.07632730884128 0.44465640603183 15.999 > 9 35 O 0.16690946807189 0.57632730884128 0.44465640603183 15.999 > 9 36 O 0.66690946807189 0.57632730884128 0.44465640603183 15.999 > 9 37 O 0.33309053192811 0.32632730884128 0.05534359396817 15.999 > 10 38 O 0.83309053192811 0.32632730884128 0.05534359396817 15.999 > 10 39 O 0.33309053192811 0.82632730884128 0.05534359396817 15.999 > 10 40 O 0.83309053192811 0.82632730884128 0.05534359396817 15.999 > 10 41 O 0.33309053192811 0.42367269115872 0.55534359396817 15.999 > 11 42 O 0.83309053192811 0.42367269115872 0.55534359396817 15.999 > 11 43 O 0.33309053192811 0.92367269115872 0.55534359396817 15.999 > 11 44 O 0.83309053192811 0.92367269115872 0.55534359396817 15.999 > 11 45 O 0.16690946807189 0.17367269115872 0.94465640603183 15.999 > 12 46 O 0.66690946807189 0.17367269115872 0.94465640603183 15.999 > 12 47 O 0.16690946807189 0.67367269115872 0.94465640603183 15.999 > 12 48 O 0.66690946807189 0.67367269115872 0.94465640603183 15.999 > 12 *49 O 0.22056125191876 0.29580334307816 0.29849529764950 15.999 > 13 50 O 0.72056125191875 0.29580334307816 0.29849529764950 15.999 > 13 51 O 0.22056125191876 0.79580334307816 0.29849529764950 15.999 > 13 52 O 0.72056125191875 0.79580334307816 0.29849529764950 15.999 > 13 53 O 0.27943874808125 0.04580334307816 0.20150470235050 15.999 > 14 54 O 0.77943874808125 0.04580334307816 0.20150470235050 15.999 > 14 55 O 0.27943874808125 0.54580334307816 0.20150470235050 15.999 > 14 56 O 0.77943874808125 0.54580334307816 0.20150470235050 15.999 > 14 57 O 0.27943874808125 0.20419665692184 0.70150470235050 15.999 > 15 58 O 0.77943874808125 0.20419665692184 0.70150470235050 15.999 > 15 59 O 0.27943874808125 0.70419665692184 0.70150470235050 15.999 > 15 60 O 0.77943874808125 0.70419665692184 0.70150470235050 15.999 > 15 61 O 0.22056125191876 0.45419665692184 0.79849529764950 15.999 > 16 62 O 0.72056125191875 0.45419665692184 0.79849529764950 15.999 > 16 63 O 0.22056125191876 0.95419665692184 0.79849529764950 15.999 > 16 64 O 0.72056125191875 0.95419665692184 0.79849529764950 15.999 > 16 *65 Pr 0.07640189613979 0.38822783410200 0.40038658408061 140.908 > 17 66 Pr 0.57640189613979 0.38822783410200 0.40038658408061 140.908 > 17 67 Pr 0.07640189613979 0.88822783410200 0.40038658408061 140.908 > 17 68 Pr 0.57640189613979 0.88822783410200 0.40038658408061 140.908 > 17 69 Pr 0.42359810386021 0.13822783410200 0.09961341591940 140.908 > 18 70 Pr 0.92359810386021 0.13822783410200 0.09961341591940 140.908 > 18 71 Pr 0.42359810386021 0.63822783410200 0.09961341591940 140.908 > 18 72 Pr 0.92359810386021 0.63822783410200 0.09961341591940 140.908 > 18 73 Pr 0.42359810386021 0.11177216589800 0.59961341591939 140.908 > 19 74 Pr 0.92359810386021 0.11177216589800 0.59961341591939 140.908 > 19 75 Pr 0.42359810386021 0.61177216589800 0.59961341591939 140.908 > 19 76 Pr 0.92359810386021 0.61177216589800 0.59961341591939 140.908 > 19 77 Pr 0.07640189613979 0.36177216589800 0.90038658408061 140.908 > 20 78 Pr 0.57640189613979 0.36177216589800 0.90038658408061 140.908 > 20 79 Pr 0.07640189613979 0.86177216589800 0.90038658408061 140.908 > 20 80 Pr 0.57640189613979 0.86177216589800 0.90038658408061 140.908 > 20 *81 Ta 0.16690638380294 0.13429033436152 0.19694429147100 180.948 > 21 82 Ta 0.66690638380294 0.13429033436152 0.19694429147100 180.948 > 21 83 Ta 0.16690638380294 0.63429033436152 0.19694429147100 180.948 > 21 84 Ta 0.66690638380294 0.63429033436152 0.19694429147100 180.948 > 21 85 Ta 0.33309361619706 0.38429033436152 0.30305570852900 180.948 > 22 86 Ta 0.83309361619706 0.38429033436152 0.30305570852900 180.948 > 22 87 Ta 0.33309361619706 0.88429033436152 0.30305570852900 180.948 > 22 88 Ta 0.83309361619706 0.88429033436152 0.30305570852900 180.948 > 22 89 Ta 0.33309361619706 0.36570966563848 0.80305570852900 180.948 > 23 90 Ta 0.83309361619706 0.36570966563848 0.80305570852900 180.948 > 23 91 Ta 0.33309361619706 0.86570966563848 0.80305570852900 180.948 > 23 92 Ta 0.83309361619706 0.86570966563848 0.80305570852900 180.948 > 23 93 Ta 0.16690638380294 0.11570966563848 0.69694429147100 180.948 > 24 94 Ta 0.66690638380294 0.11570966563848 0.69694429147100 180.948 > 24 95 Ta 0.16690638380294 0.61570966563848 0.69694429147100 180.948 > 24 96 Ta 0.66690638380294 0.61570966563848 0.69694429147100 180.948 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0312443 0.0000000 0.0617050 0.0000000 5.2259692 0.0000000 0.0617034 0.0000000 5.2574547 -------------------------- Born effective charges -------------------------- 1 O -2.3557319 0.8765643 -0.2275554 1.0119578 -3.2294171 0.5883464 -0.2477010 0.5345344 -2.4510630 2 O -2.3557319 -0.8765643 -0.2275554 -1.0119578 -3.2294171 -0.5883464 -0.2477010 -0.5345344 -2.4510630 3 O -2.3557319 0.8765643 -0.2275554 1.0119578 -3.2294171 0.5883464 -0.2477010 0.5345344 -2.4510630 4 O -2.3557319 -0.8765643 -0.2275554 -1.0119578 -3.2294171 -0.5883464 -0.2477010 -0.5345344 -2.4510630 5 O -3.4588229 -0.3953582 -0.3233557 -0.5023601 -2.8350964 0.1392684 -0.2038272 0.1484238 -2.2256144 6 O -3.4588229 0.3953582 -0.3233557 0.5023601 -2.8350964 -0.1392684 -0.2038272 -0.1484238 -2.2256144 7 O -3.4588229 -0.3953582 -0.3233557 -0.5023601 -2.8350964 0.1392684 -0.2038272 0.1484238 -2.2256144 8 O -3.4588229 0.3953582 -0.3233557 0.5023601 -2.8350964 -0.1392684 -0.2038272 -0.1484238 -2.2256144 9 O -1.4837055 -0.4466517 0.7111590 -0.3256605 -1.9610965 -0.2098960 0.6184271 0.1567505 -5.4440506 10 O -1.4837055 0.4466517 0.7111590 0.3256605 -1.9610965 0.2098960 0.6184271 -0.1567505 -5.4440506 11 O -1.4837055 -0.4466517 0.7111590 -0.3256605 -1.9610965 -0.2098960 0.6184271 0.1567505 -5.4440506 12 O -1.4837055 0.4466517 0.7111590 0.3256605 -1.9610965 0.2098960 0.6184271 -0.1567505 -5.4440506 13 O -3.5931946 -1.5834950 -0.2844753 -1.5379981 -3.3894003 -0.7641426 -0.2775366 -0.7052882 -1.6456421 14 O -3.5931946 1.5834950 -0.2844753 1.5379981 -3.3894003 0.7641426 -0.2775366 0.7052882 -1.6456421 15 O -3.5931946 -1.5834950 -0.2844753 -1.5379981 -3.3894003 -0.7641426 -0.2775366 -0.7052882 -1.6456421 16 O -3.5931946 1.5834950 -0.2844753 1.5379981 -3.3894003 0.7641426 -0.2775366 0.7052882 -1.6456421 17 Pr 4.1126737 -0.3423269 -0.0478673 -0.0098589 4.5148877 -0.0311847 -0.0434690 0.0886895 4.1147709 18 Pr 4.1126737 0.3423269 -0.0478673 0.0098589 4.5148877 0.0311847 -0.0434690 -0.0886895 4.1147709 19 Pr 4.1126737 -0.3423269 -0.0478673 -0.0098589 4.5148877 -0.0311847 -0.0434690 0.0886895 4.1147709 20 Pr 4.1126737 0.3423269 -0.0478673 0.0098589 4.5148877 0.0311847 -0.0434690 -0.0886895 4.1147709 21 Ta 6.7787811 0.3363624 0.1720947 -0.4752679 6.9001226 0.1111804 0.1541067 -1.0133587 7.6515992 22 Ta 6.7787811 -0.3363624 0.1720947 0.4752679 6.9001226 -0.1111804 0.1541067 1.0133587 7.6515992 23 Ta 6.7787811 0.3363624 0.1720947 -0.4752679 6.9001226 0.1111804 0.1541067 -1.0133587 7.6515992 24 Ta 6.7787811 -0.3363624 0.1720947 0.4752679 6.9001226 -0.1111804 0.1541067 1.0133587 7.6515992 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.717 Solver_block: 200 / 720 - Time: 0.649 Solver_block: 300 / 720 - Time: 0.656 Solver_block: 400 / 720 - Time: 0.651 Solver_block: 500 / 720 - Time: 0.649 Solver_block: 600 / 720 - Time: 0.646 Solver_block: 700 / 720 - Time: 0.641 Solver_block: 720 / 720 - Time: 0.220 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.934 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), 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 03:41:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:41:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.592828880024199 0.000000000000000 0.000000000000000 b 0.000000000000000 5.494055990000000 0.000000000000000 c -1.363767424317360 0.000000000000000 7.610924523197010 Atomic positions (fractional): 1 O 0.16556668804050 0.48950335423234 0.63147707367580 15.999 2 O 0.83443331195950 0.98950335423234 0.86852292632420 15.999 3 O 0.83443331195950 0.51049664576766 0.36852292632419 15.999 4 O 0.16556668804050 0.01049664576766 0.13147707367580 15.999 5 O 0.11661134276106 0.01278128504072 0.66859964180342 15.999 6 O 0.88338865723894 0.51278128504072 0.83140035819658 15.999 7 O 0.88338865723894 0.98721871495928 0.33140035819658 15.999 8 O 0.11661134276106 0.48721871495928 0.16859964180342 15.999 9 O 0.33381893614378 0.15265461768255 0.44465640603183 15.999 10 O 0.66618106385622 0.65265461768255 0.05534359396817 15.999 11 O 0.66618106385622 0.84734538231745 0.55534359396817 15.999 12 O 0.33381893614378 0.34734538231745 0.94465640603183 15.999 13 O 0.44112250383751 0.59160668615632 0.29849529764950 15.999 14 O 0.55887749616249 0.09160668615632 0.20150470235050 15.999 15 O 0.55887749616249 0.40839331384368 0.70150470235050 15.999 16 O 0.44112250383751 0.90839331384368 0.79849529764950 15.999 17 Pr 0.15280379227958 0.77645566820401 0.40038658408061 140.908 18 Pr 0.84719620772042 0.27645566820401 0.09961341591940 140.908 19 Pr 0.84719620772042 0.22354433179599 0.59961341591939 140.908 20 Pr 0.15280379227958 0.72354433179599 0.90038658408061 140.908 21 Ta 0.33381276760589 0.26858066872303 0.19694429147100 180.948 22 Ta 0.66618723239411 0.76858066872303 0.30305570852900 180.948 23 Ta 0.66618723239411 0.73141933127697 0.80305570852900 180.948 24 Ta 0.33381276760589 0.23141933127697 0.69694429147100 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.185657760048398 0.000000000000000 0.000000000000000 b 0.000000000000000 10.988111979999999 0.000000000000000 c -1.363767424317360 0.000000000000000 7.610924523197010 Atomic positions (fractional): 1 O 0.08278334402025 0.24475167711617 0.63147707367580 15.999 > 1 2 O 0.58278334402025 0.24475167711617 0.63147707367580 15.999 > 1 3 O 0.08278334402025 0.74475167711617 0.63147707367580 15.999 > 1 4 O 0.58278334402025 0.74475167711617 0.63147707367580 15.999 > 1 5 O 0.41721665597975 0.49475167711617 0.86852292632420 15.999 > 5 6 O 0.91721665597975 0.49475167711617 0.86852292632420 15.999 > 5 7 O 0.41721665597975 0.99475167711617 0.86852292632420 15.999 > 5 8 O 0.91721665597975 0.99475167711617 0.86852292632420 15.999 > 5 9 O 0.41721665597975 0.25524832288383 0.36852292632419 15.999 > 9 10 O 0.91721665597975 0.25524832288383 0.36852292632419 15.999 > 9 11 O 0.41721665597975 0.75524832288383 0.36852292632419 15.999 > 9 12 O 0.91721665597975 0.75524832288383 0.36852292632419 15.999 > 9 13 O 0.08278334402025 0.00524832288383 0.13147707367580 15.999 > 13 14 O 0.58278334402025 0.00524832288383 0.13147707367580 15.999 > 13 15 O 0.08278334402025 0.50524832288383 0.13147707367580 15.999 > 13 16 O 0.58278334402025 0.50524832288383 0.13147707367580 15.999 > 13 17 O 0.05830567138053 0.00639064252036 0.66859964180342 15.999 > 17 18 O 0.55830567138053 0.00639064252036 0.66859964180342 15.999 > 17 19 O 0.05830567138053 0.50639064252036 0.66859964180342 15.999 > 17 20 O 0.55830567138053 0.50639064252036 0.66859964180342 15.999 > 17 21 O 0.44169432861947 0.25639064252036 0.83140035819658 15.999 > 21 22 O 0.94169432861947 0.25639064252036 0.83140035819658 15.999 > 21 23 O 0.44169432861947 0.75639064252036 0.83140035819658 15.999 > 21 24 O 0.94169432861947 0.75639064252036 0.83140035819658 15.999 > 21 25 O 0.44169432861947 0.49360935747964 0.33140035819658 15.999 > 25 26 O 0.94169432861947 0.49360935747964 0.33140035819658 15.999 > 25 27 O 0.44169432861947 0.99360935747964 0.33140035819658 15.999 > 25 28 O 0.94169432861947 0.99360935747964 0.33140035819658 15.999 > 25 29 O 0.05830567138053 0.24360935747964 0.16859964180342 15.999 > 29 30 O 0.55830567138053 0.24360935747964 0.16859964180342 15.999 > 29 31 O 0.05830567138053 0.74360935747964 0.16859964180342 15.999 > 29 32 O 0.55830567138053 0.74360935747964 0.16859964180342 15.999 > 29 33 O 0.16690946807189 0.07632730884128 0.44465640603183 15.999 > 33 34 O 0.66690946807189 0.07632730884128 0.44465640603183 15.999 > 33 35 O 0.16690946807189 0.57632730884128 0.44465640603183 15.999 > 33 36 O 0.66690946807189 0.57632730884128 0.44465640603183 15.999 > 33 37 O 0.33309053192811 0.32632730884128 0.05534359396817 15.999 > 37 38 O 0.83309053192811 0.32632730884128 0.05534359396817 15.999 > 37 39 O 0.33309053192811 0.82632730884128 0.05534359396817 15.999 > 37 40 O 0.83309053192811 0.82632730884128 0.05534359396817 15.999 > 37 41 O 0.33309053192811 0.42367269115872 0.55534359396817 15.999 > 41 42 O 0.83309053192811 0.42367269115872 0.55534359396817 15.999 > 41 43 O 0.33309053192811 0.92367269115872 0.55534359396817 15.999 > 41 44 O 0.83309053192811 0.92367269115872 0.55534359396817 15.999 > 41 45 O 0.16690946807189 0.17367269115872 0.94465640603183 15.999 > 45 46 O 0.66690946807189 0.17367269115872 0.94465640603183 15.999 > 45 47 O 0.16690946807189 0.67367269115872 0.94465640603183 15.999 > 45 48 O 0.66690946807189 0.67367269115872 0.94465640603183 15.999 > 45 49 O 0.22056125191876 0.29580334307816 0.29849529764950 15.999 > 49 50 O 0.72056125191875 0.29580334307816 0.29849529764950 15.999 > 49 51 O 0.22056125191876 0.79580334307816 0.29849529764950 15.999 > 49 52 O 0.72056125191875 0.79580334307816 0.29849529764950 15.999 > 49 53 O 0.27943874808125 0.04580334307816 0.20150470235050 15.999 > 53 54 O 0.77943874808125 0.04580334307816 0.20150470235050 15.999 > 53 55 O 0.27943874808125 0.54580334307816 0.20150470235050 15.999 > 53 56 O 0.77943874808125 0.54580334307816 0.20150470235050 15.999 > 53 57 O 0.27943874808125 0.20419665692184 0.70150470235050 15.999 > 57 58 O 0.77943874808125 0.20419665692184 0.70150470235050 15.999 > 57 59 O 0.27943874808125 0.70419665692184 0.70150470235050 15.999 > 57 60 O 0.77943874808125 0.70419665692184 0.70150470235050 15.999 > 57 61 O 0.22056125191876 0.45419665692184 0.79849529764950 15.999 > 61 62 O 0.72056125191875 0.45419665692184 0.79849529764950 15.999 > 61 63 O 0.22056125191876 0.95419665692184 0.79849529764950 15.999 > 61 64 O 0.72056125191875 0.95419665692184 0.79849529764950 15.999 > 61 65 Pr 0.07640189613979 0.38822783410200 0.40038658408061 140.908 > 65 66 Pr 0.57640189613979 0.38822783410200 0.40038658408061 140.908 > 65 67 Pr 0.07640189613979 0.88822783410200 0.40038658408061 140.908 > 65 68 Pr 0.57640189613979 0.88822783410200 0.40038658408061 140.908 > 65 69 Pr 0.42359810386021 0.13822783410200 0.09961341591940 140.908 > 69 70 Pr 0.92359810386021 0.13822783410200 0.09961341591940 140.908 > 69 71 Pr 0.42359810386021 0.63822783410200 0.09961341591940 140.908 > 69 72 Pr 0.92359810386021 0.63822783410200 0.09961341591940 140.908 > 69 73 Pr 0.42359810386021 0.11177216589800 0.59961341591939 140.908 > 73 74 Pr 0.92359810386021 0.11177216589800 0.59961341591939 140.908 > 73 75 Pr 0.42359810386021 0.61177216589800 0.59961341591939 140.908 > 73 76 Pr 0.92359810386021 0.61177216589800 0.59961341591939 140.908 > 73 77 Pr 0.07640189613979 0.36177216589800 0.90038658408061 140.908 > 77 78 Pr 0.57640189613979 0.36177216589800 0.90038658408061 140.908 > 77 79 Pr 0.07640189613979 0.86177216589800 0.90038658408061 140.908 > 77 80 Pr 0.57640189613979 0.86177216589800 0.90038658408061 140.908 > 77 81 Ta 0.16690638380294 0.13429033436152 0.19694429147100 180.948 > 81 82 Ta 0.66690638380294 0.13429033436152 0.19694429147100 180.948 > 81 83 Ta 0.16690638380294 0.63429033436152 0.19694429147100 180.948 > 81 84 Ta 0.66690638380294 0.63429033436152 0.19694429147100 180.948 > 81 85 Ta 0.33309361619706 0.38429033436152 0.30305570852900 180.948 > 85 86 Ta 0.83309361619706 0.38429033436152 0.30305570852900 180.948 > 85 87 Ta 0.33309361619706 0.88429033436152 0.30305570852900 180.948 > 85 88 Ta 0.83309361619706 0.88429033436152 0.30305570852900 180.948 > 85 89 Ta 0.33309361619706 0.36570966563848 0.80305570852900 180.948 > 89 90 Ta 0.83309361619706 0.36570966563848 0.80305570852900 180.948 > 89 91 Ta 0.33309361619706 0.86570966563848 0.80305570852900 180.948 > 89 92 Ta 0.83309361619706 0.86570966563848 0.80305570852900 180.948 > 89 93 Ta 0.16690638380294 0.11570966563848 0.69694429147100 180.948 > 93 94 Ta 0.66690638380294 0.11570966563848 0.69694429147100 180.948 > 93 95 Ta 0.16690638380294 0.61570966563848 0.69694429147100 180.948 > 93 96 Ta 0.66690638380294 0.61570966563848 0.69694429147100 180.948 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0312443 0.0000000 0.0617050 0.0000000 5.2259692 0.0000000 0.0617034 0.0000000 5.2574547 -------------------------- Born effective charges -------------------------- 1 O -2.3557319 0.8765643 -0.2275554 1.0119578 -3.2294171 0.5883464 -0.2477010 0.5345344 -2.4510630 2 O -2.3557319 -0.8765643 -0.2275554 -1.0119578 -3.2294171 -0.5883464 -0.2477010 -0.5345344 -2.4510630 3 O -2.3557319 0.8765643 -0.2275554 1.0119578 -3.2294171 0.5883464 -0.2477010 0.5345344 -2.4510630 4 O -2.3557319 -0.8765643 -0.2275554 -1.0119578 -3.2294171 -0.5883464 -0.2477010 -0.5345344 -2.4510630 5 O -3.4588229 -0.3953582 -0.3233557 -0.5023601 -2.8350964 0.1392684 -0.2038272 0.1484238 -2.2256144 6 O -3.4588229 0.3953582 -0.3233557 0.5023601 -2.8350964 -0.1392684 -0.2038272 -0.1484238 -2.2256144 7 O -3.4588229 -0.3953582 -0.3233557 -0.5023601 -2.8350964 0.1392684 -0.2038272 0.1484238 -2.2256144 8 O -3.4588229 0.3953582 -0.3233557 0.5023601 -2.8350964 -0.1392684 -0.2038272 -0.1484238 -2.2256144 9 O -1.4837055 -0.4466517 0.7111590 -0.3256605 -1.9610965 -0.2098960 0.6184271 0.1567505 -5.4440506 10 O -1.4837055 0.4466517 0.7111590 0.3256605 -1.9610965 0.2098960 0.6184271 -0.1567505 -5.4440506 11 O -1.4837055 -0.4466517 0.7111590 -0.3256605 -1.9610965 -0.2098960 0.6184271 0.1567505 -5.4440506 12 O -1.4837055 0.4466517 0.7111590 0.3256605 -1.9610965 0.2098960 0.6184271 -0.1567505 -5.4440506 13 O -3.5931946 -1.5834950 -0.2844753 -1.5379981 -3.3894003 -0.7641426 -0.2775366 -0.7052882 -1.6456421 14 O -3.5931946 1.5834950 -0.2844753 1.5379981 -3.3894003 0.7641426 -0.2775366 0.7052882 -1.6456421 15 O -3.5931946 -1.5834950 -0.2844753 -1.5379981 -3.3894003 -0.7641426 -0.2775366 -0.7052882 -1.6456421 16 O -3.5931946 1.5834950 -0.2844753 1.5379981 -3.3894003 0.7641426 -0.2775366 0.7052882 -1.6456421 17 Pr 4.1126737 -0.3423269 -0.0478673 -0.0098589 4.5148877 -0.0311847 -0.0434690 0.0886895 4.1147709 18 Pr 4.1126737 0.3423269 -0.0478673 0.0098589 4.5148877 0.0311847 -0.0434690 -0.0886895 4.1147709 19 Pr 4.1126737 -0.3423269 -0.0478673 -0.0098589 4.5148877 -0.0311847 -0.0434690 0.0886895 4.1147709 20 Pr 4.1126737 0.3423269 -0.0478673 0.0098589 4.5148877 0.0311847 -0.0434690 -0.0886895 4.1147709 21 Ta 6.7787811 0.3363624 0.1720947 -0.4752679 6.9001226 0.1111804 0.1541067 -1.0133587 7.6515992 22 Ta 6.7787811 -0.3363624 0.1720947 0.4752679 6.9001226 -0.1111804 0.1541067 1.0133587 7.6515992 23 Ta 6.7787811 0.3363624 0.1720947 -0.4752679 6.9001226 0.1111804 0.1541067 -1.0133587 7.6515992 24 Ta 6.7787811 -0.3363624 0.1720947 0.4752679 6.9001226 -0.1111804 0.1541067 1.0133587 7.6515992 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (yz) -0.00000004 (yz) 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 03:41:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:41:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.592828880024199 0.000000000000000 0.000000000000000 b 0.000000000000000 5.494055990000000 0.000000000000000 c -1.363767424317360 0.000000000000000 7.610924523197010 Atomic positions (fractional): 1 O 0.16556668804050 0.48950335423234 0.63147707367580 15.999 2 O 0.83443331195950 0.98950335423234 0.86852292632420 15.999 3 O 0.83443331195950 0.51049664576766 0.36852292632419 15.999 4 O 0.16556668804050 0.01049664576766 0.13147707367580 15.999 5 O 0.11661134276106 0.01278128504072 0.66859964180342 15.999 6 O 0.88338865723894 0.51278128504072 0.83140035819658 15.999 7 O 0.88338865723894 0.98721871495928 0.33140035819658 15.999 8 O 0.11661134276106 0.48721871495928 0.16859964180342 15.999 9 O 0.33381893614378 0.15265461768255 0.44465640603183 15.999 10 O 0.66618106385622 0.65265461768255 0.05534359396817 15.999 11 O 0.66618106385622 0.84734538231745 0.55534359396817 15.999 12 O 0.33381893614378 0.34734538231745 0.94465640603183 15.999 13 O 0.44112250383751 0.59160668615632 0.29849529764950 15.999 14 O 0.55887749616249 0.09160668615632 0.20150470235050 15.999 15 O 0.55887749616249 0.40839331384368 0.70150470235050 15.999 16 O 0.44112250383751 0.90839331384368 0.79849529764950 15.999 17 Pr 0.15280379227958 0.77645566820401 0.40038658408061 140.908 18 Pr 0.84719620772042 0.27645566820401 0.09961341591940 140.908 19 Pr 0.84719620772042 0.22354433179599 0.59961341591939 140.908 20 Pr 0.15280379227958 0.72354433179599 0.90038658408061 140.908 21 Ta 0.33381276760589 0.26858066872303 0.19694429147100 180.948 22 Ta 0.66618723239411 0.76858066872303 0.30305570852900 180.948 23 Ta 0.66618723239411 0.73141933127697 0.80305570852900 180.948 24 Ta 0.33381276760589 0.23141933127697 0.69694429147100 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.185657760048398 0.000000000000000 0.000000000000000 b 0.000000000000000 10.988111979999999 0.000000000000000 c -1.363767424317360 0.000000000000000 7.610924523197010 Atomic positions (fractional): 1 O 0.08278334402025 0.24475167711617 0.63147707367580 15.999 > 1 2 O 0.58278334402025 0.24475167711617 0.63147707367580 15.999 > 1 3 O 0.08278334402025 0.74475167711617 0.63147707367580 15.999 > 1 4 O 0.58278334402025 0.74475167711617 0.63147707367580 15.999 > 1 5 O 0.41721665597975 0.49475167711617 0.86852292632420 15.999 > 5 6 O 0.91721665597975 0.49475167711617 0.86852292632420 15.999 > 5 7 O 0.41721665597975 0.99475167711617 0.86852292632420 15.999 > 5 8 O 0.91721665597975 0.99475167711617 0.86852292632420 15.999 > 5 9 O 0.41721665597975 0.25524832288383 0.36852292632419 15.999 > 9 10 O 0.91721665597975 0.25524832288383 0.36852292632419 15.999 > 9 11 O 0.41721665597975 0.75524832288383 0.36852292632419 15.999 > 9 12 O 0.91721665597975 0.75524832288383 0.36852292632419 15.999 > 9 13 O 0.08278334402025 0.00524832288383 0.13147707367580 15.999 > 13 14 O 0.58278334402025 0.00524832288383 0.13147707367580 15.999 > 13 15 O 0.08278334402025 0.50524832288383 0.13147707367580 15.999 > 13 16 O 0.58278334402025 0.50524832288383 0.13147707367580 15.999 > 13 17 O 0.05830567138053 0.00639064252036 0.66859964180342 15.999 > 17 18 O 0.55830567138053 0.00639064252036 0.66859964180342 15.999 > 17 19 O 0.05830567138053 0.50639064252036 0.66859964180342 15.999 > 17 20 O 0.55830567138053 0.50639064252036 0.66859964180342 15.999 > 17 21 O 0.44169432861947 0.25639064252036 0.83140035819658 15.999 > 21 22 O 0.94169432861947 0.25639064252036 0.83140035819658 15.999 > 21 23 O 0.44169432861947 0.75639064252036 0.83140035819658 15.999 > 21 24 O 0.94169432861947 0.75639064252036 0.83140035819658 15.999 > 21 25 O 0.44169432861947 0.49360935747964 0.33140035819658 15.999 > 25 26 O 0.94169432861947 0.49360935747964 0.33140035819658 15.999 > 25 27 O 0.44169432861947 0.99360935747964 0.33140035819658 15.999 > 25 28 O 0.94169432861947 0.99360935747964 0.33140035819658 15.999 > 25 29 O 0.05830567138053 0.24360935747964 0.16859964180342 15.999 > 29 30 O 0.55830567138053 0.24360935747964 0.16859964180342 15.999 > 29 31 O 0.05830567138053 0.74360935747964 0.16859964180342 15.999 > 29 32 O 0.55830567138053 0.74360935747964 0.16859964180342 15.999 > 29 33 O 0.16690946807189 0.07632730884128 0.44465640603183 15.999 > 33 34 O 0.66690946807189 0.07632730884128 0.44465640603183 15.999 > 33 35 O 0.16690946807189 0.57632730884128 0.44465640603183 15.999 > 33 36 O 0.66690946807189 0.57632730884128 0.44465640603183 15.999 > 33 37 O 0.33309053192811 0.32632730884128 0.05534359396817 15.999 > 37 38 O 0.83309053192811 0.32632730884128 0.05534359396817 15.999 > 37 39 O 0.33309053192811 0.82632730884128 0.05534359396817 15.999 > 37 40 O 0.83309053192811 0.82632730884128 0.05534359396817 15.999 > 37 41 O 0.33309053192811 0.42367269115872 0.55534359396817 15.999 > 41 42 O 0.83309053192811 0.42367269115872 0.55534359396817 15.999 > 41 43 O 0.33309053192811 0.92367269115872 0.55534359396817 15.999 > 41 44 O 0.83309053192811 0.92367269115872 0.55534359396817 15.999 > 41 45 O 0.16690946807189 0.17367269115872 0.94465640603183 15.999 > 45 46 O 0.66690946807189 0.17367269115872 0.94465640603183 15.999 > 45 47 O 0.16690946807189 0.67367269115872 0.94465640603183 15.999 > 45 48 O 0.66690946807189 0.67367269115872 0.94465640603183 15.999 > 45 49 O 0.22056125191876 0.29580334307816 0.29849529764950 15.999 > 49 50 O 0.72056125191875 0.29580334307816 0.29849529764950 15.999 > 49 51 O 0.22056125191876 0.79580334307816 0.29849529764950 15.999 > 49 52 O 0.72056125191875 0.79580334307816 0.29849529764950 15.999 > 49 53 O 0.27943874808125 0.04580334307816 0.20150470235050 15.999 > 53 54 O 0.77943874808125 0.04580334307816 0.20150470235050 15.999 > 53 55 O 0.27943874808125 0.54580334307816 0.20150470235050 15.999 > 53 56 O 0.77943874808125 0.54580334307816 0.20150470235050 15.999 > 53 57 O 0.27943874808125 0.20419665692184 0.70150470235050 15.999 > 57 58 O 0.77943874808125 0.20419665692184 0.70150470235050 15.999 > 57 59 O 0.27943874808125 0.70419665692184 0.70150470235050 15.999 > 57 60 O 0.77943874808125 0.70419665692184 0.70150470235050 15.999 > 57 61 O 0.22056125191876 0.45419665692184 0.79849529764950 15.999 > 61 62 O 0.72056125191875 0.45419665692184 0.79849529764950 15.999 > 61 63 O 0.22056125191876 0.95419665692184 0.79849529764950 15.999 > 61 64 O 0.72056125191875 0.95419665692184 0.79849529764950 15.999 > 61 65 Pr 0.07640189613979 0.38822783410200 0.40038658408061 140.908 > 65 66 Pr 0.57640189613979 0.38822783410200 0.40038658408061 140.908 > 65 67 Pr 0.07640189613979 0.88822783410200 0.40038658408061 140.908 > 65 68 Pr 0.57640189613979 0.88822783410200 0.40038658408061 140.908 > 65 69 Pr 0.42359810386021 0.13822783410200 0.09961341591940 140.908 > 69 70 Pr 0.92359810386021 0.13822783410200 0.09961341591940 140.908 > 69 71 Pr 0.42359810386021 0.63822783410200 0.09961341591940 140.908 > 69 72 Pr 0.92359810386021 0.63822783410200 0.09961341591940 140.908 > 69 73 Pr 0.42359810386021 0.11177216589800 0.59961341591939 140.908 > 73 74 Pr 0.92359810386021 0.11177216589800 0.59961341591939 140.908 > 73 75 Pr 0.42359810386021 0.61177216589800 0.59961341591939 140.908 > 73 76 Pr 0.92359810386021 0.61177216589800 0.59961341591939 140.908 > 73 77 Pr 0.07640189613979 0.36177216589800 0.90038658408061 140.908 > 77 78 Pr 0.57640189613979 0.36177216589800 0.90038658408061 140.908 > 77 79 Pr 0.07640189613979 0.86177216589800 0.90038658408061 140.908 > 77 80 Pr 0.57640189613979 0.86177216589800 0.90038658408061 140.908 > 77 81 Ta 0.16690638380294 0.13429033436152 0.19694429147100 180.948 > 81 82 Ta 0.66690638380294 0.13429033436152 0.19694429147100 180.948 > 81 83 Ta 0.16690638380294 0.63429033436152 0.19694429147100 180.948 > 81 84 Ta 0.66690638380294 0.63429033436152 0.19694429147100 180.948 > 81 85 Ta 0.33309361619706 0.38429033436152 0.30305570852900 180.948 > 85 86 Ta 0.83309361619706 0.38429033436152 0.30305570852900 180.948 > 85 87 Ta 0.33309361619706 0.88429033436152 0.30305570852900 180.948 > 85 88 Ta 0.83309361619706 0.88429033436152 0.30305570852900 180.948 > 85 89 Ta 0.33309361619706 0.36570966563848 0.80305570852900 180.948 > 89 90 Ta 0.83309361619706 0.36570966563848 0.80305570852900 180.948 > 89 91 Ta 0.33309361619706 0.86570966563848 0.80305570852900 180.948 > 89 92 Ta 0.83309361619706 0.86570966563848 0.80305570852900 180.948 > 89 93 Ta 0.16690638380294 0.11570966563848 0.69694429147100 180.948 > 93 94 Ta 0.66690638380294 0.11570966563848 0.69694429147100 180.948 > 93 95 Ta 0.16690638380294 0.61570966563848 0.69694429147100 180.948 > 93 96 Ta 0.66690638380294 0.61570966563848 0.69694429147100 180.948 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0312443 0.0000000 0.0617050 0.0000000 5.2259692 0.0000000 0.0617034 0.0000000 5.2574547 -------------------------- Born effective charges -------------------------- 1 O -2.3557319 0.8765643 -0.2275554 1.0119578 -3.2294171 0.5883464 -0.2477010 0.5345344 -2.4510630 2 O -2.3557319 -0.8765643 -0.2275554 -1.0119578 -3.2294171 -0.5883464 -0.2477010 -0.5345344 -2.4510630 3 O -2.3557319 0.8765643 -0.2275554 1.0119578 -3.2294171 0.5883464 -0.2477010 0.5345344 -2.4510630 4 O -2.3557319 -0.8765643 -0.2275554 -1.0119578 -3.2294171 -0.5883464 -0.2477010 -0.5345344 -2.4510630 5 O -3.4588229 -0.3953582 -0.3233557 -0.5023601 -2.8350964 0.1392684 -0.2038272 0.1484238 -2.2256144 6 O -3.4588229 0.3953582 -0.3233557 0.5023601 -2.8350964 -0.1392684 -0.2038272 -0.1484238 -2.2256144 7 O -3.4588229 -0.3953582 -0.3233557 -0.5023601 -2.8350964 0.1392684 -0.2038272 0.1484238 -2.2256144 8 O -3.4588229 0.3953582 -0.3233557 0.5023601 -2.8350964 -0.1392684 -0.2038272 -0.1484238 -2.2256144 9 O -1.4837055 -0.4466517 0.7111590 -0.3256605 -1.9610965 -0.2098960 0.6184271 0.1567505 -5.4440506 10 O -1.4837055 0.4466517 0.7111590 0.3256605 -1.9610965 0.2098960 0.6184271 -0.1567505 -5.4440506 11 O -1.4837055 -0.4466517 0.7111590 -0.3256605 -1.9610965 -0.2098960 0.6184271 0.1567505 -5.4440506 12 O -1.4837055 0.4466517 0.7111590 0.3256605 -1.9610965 0.2098960 0.6184271 -0.1567505 -5.4440506 13 O -3.5931946 -1.5834950 -0.2844753 -1.5379981 -3.3894003 -0.7641426 -0.2775366 -0.7052882 -1.6456421 14 O -3.5931946 1.5834950 -0.2844753 1.5379981 -3.3894003 0.7641426 -0.2775366 0.7052882 -1.6456421 15 O -3.5931946 -1.5834950 -0.2844753 -1.5379981 -3.3894003 -0.7641426 -0.2775366 -0.7052882 -1.6456421 16 O -3.5931946 1.5834950 -0.2844753 1.5379981 -3.3894003 0.7641426 -0.2775366 0.7052882 -1.6456421 17 Pr 4.1126737 -0.3423269 -0.0478673 -0.0098589 4.5148877 -0.0311847 -0.0434690 0.0886895 4.1147709 18 Pr 4.1126737 0.3423269 -0.0478673 0.0098589 4.5148877 0.0311847 -0.0434690 -0.0886895 4.1147709 19 Pr 4.1126737 -0.3423269 -0.0478673 -0.0098589 4.5148877 -0.0311847 -0.0434690 0.0886895 4.1147709 20 Pr 4.1126737 0.3423269 -0.0478673 0.0098589 4.5148877 0.0311847 -0.0434690 -0.0886895 4.1147709 21 Ta 6.7787811 0.3363624 0.1720947 -0.4752679 6.9001226 0.1111804 0.1541067 -1.0133587 7.6515992 22 Ta 6.7787811 -0.3363624 0.1720947 0.4752679 6.9001226 -0.1111804 0.1541067 1.0133587 7.6515992 23 Ta 6.7787811 0.3363624 0.1720947 -0.4752679 6.9001226 0.1111804 0.1541067 -1.0133587 7.6515992 24 Ta 6.7787811 -0.3363624 0.1720947 0.4752679 6.9001226 -0.1111804 0.1541067 1.0133587 7.6515992 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 7 ] 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: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 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 1.481 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.728 ( 0.000 0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 9.083 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 9.989 ( 0.000 0.000 0.000) 0.000 10.471 ( 0.000 0.000 0.000) 0.000 10.612 ( 0.000 0.000 0.000) 0.000 11.100 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.500 ( 0.000 0.000 0.000) 0.000 11.553 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 12.895 ( 0.000 0.000 0.000) 0.000 12.980 ( 0.000 0.000 0.000) 0.000 13.016 ( 0.000 0.000 0.000) 0.000 13.716 ( 0.000 0.000 0.000) 0.000 13.849 ( 0.000 0.000 0.000) 0.000 14.366 ( 0.000 0.000 0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 15.240 ( 0.000 0.000 0.000) 0.000 15.665 ( 0.000 0.000 0.000) 0.000 16.133 ( 0.000 0.000 0.000) 0.000 16.742 ( 0.000 0.000 0.000) 0.000 16.780 ( 0.000 0.000 0.000) 0.000 16.966 ( 0.000 0.000 0.000) 0.000 17.740 ( 0.000 0.000 0.000) 0.000 18.386 ( 0.000 0.000 0.000) 0.000 18.578 ( 0.000 0.000 0.000) 0.000 18.762 ( 0.000 0.000 0.000) 0.000 18.930 ( 0.000 0.000 0.000) 0.000 19.644 ( 0.000 0.000 0.000) 0.000 22.039 ( 0.000 0.000 0.000) 0.000 23.959 ( 0.000 0.000 0.000) 0.000 24.763 ( 0.000 0.000 0.000) 0.000 25.468 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( 11.364 0.000 6.166) 12.929 0.473 ( 21.654 0.000 11.501) 24.519 0.968 ( 46.601 0.000 13.631) 48.554 1.494 ( 2.502 0.000 -4.613) 5.248 1.724 ( 6.825 0.000 -3.440) 7.642 2.245 ( 3.021 0.000 1.459) 3.355 2.631 ( 0.170 0.000 1.928) 1.935 2.774 ( 0.846 0.000 0.866) 1.211 2.975 ( 4.206 0.000 -3.722) 5.616 3.450 ( -5.291 0.000 1.390) 5.470 3.473 ( -2.550 0.000 7.146) 7.587 3.741 ( -4.723 0.000 2.180) 5.202 3.893 ( -2.059 0.000 2.235) 3.039 4.022 ( 2.784 0.000 -0.961) 2.945 4.308 ( -2.453 0.000 -0.982) 2.642 4.409 ( -10.888 0.000 15.393) 18.855 4.603 ( -5.145 0.000 -5.695) 7.675 4.608 ( -3.433 0.000 15.731) 16.101 4.908 ( 9.452 0.000 -3.194) 9.977 5.024 ( 5.387 0.000 -44.979) 45.300 5.401 ( -2.450 0.000 4.115) 4.789 5.435 ( 0.813 0.000 1.467) 1.678 5.722 ( 6.091 0.000 1.251) 6.218 5.890 ( 3.017 0.000 0.936) 3.159 6.167 ( -5.902 0.000 5.082) 7.788 6.493 ( -6.389 0.000 59.824) 60.164 6.580 ( 8.213 0.000 1.496) 8.348 7.136 ( -0.913 0.000 -0.046) 0.914 7.861 ( 3.353 0.000 9.383) 9.964 7.889 ( -3.607 0.000 1.557) 3.928 8.000 ( -5.414 0.000 1.710) 5.677 8.135 ( 0.649 0.000 -1.195) 1.360 8.327 ( -1.979 0.000 0.088) 1.981 8.593 ( -5.977 0.000 -5.774) 8.310 8.744 ( -1.658 0.000 14.638) 14.732 8.967 ( 5.489 0.000 4.053) 6.823 9.218 ( -4.505 0.000 -24.679) 25.087 9.460 ( 2.158 0.000 -0.343) 2.185 9.648 ( -0.139 0.000 2.601) 2.605 9.792 ( 17.543 0.000 -14.898) 23.015 9.964 ( -0.973 0.000 -2.899) 3.058 10.430 ( -2.453 0.000 -6.003) 6.485 10.981 ( -17.662 0.000 9.643) 20.123 11.020 ( -8.228 0.000 7.177) 10.918 11.383 ( 8.165 0.000 -16.200) 18.141 11.428 ( 5.191 0.000 -5.605) 7.640 11.555 ( -0.690 0.000 1.593) 1.736 12.239 ( 8.466 0.000 5.326) 10.003 12.848 ( -2.481 0.000 2.086) 3.242 12.952 ( -2.372 0.000 -13.232) 13.443 13.076 ( 6.022 0.000 -0.110) 6.023 13.177 ( 11.200 0.000 -40.613) 42.129 13.692 ( -10.397 0.000 -6.799) 12.422 13.801 ( 8.790 0.000 -0.288) 8.795 15.058 ( 15.323 0.000 5.986) 16.451 15.146 ( -9.161 0.000 11.698) 14.858 15.664 ( -0.813 0.000 2.953) 3.063 16.050 ( -6.620 0.000 -4.766) 8.157 16.674 ( -2.072 0.000 -34.612) 34.674 16.764 ( 0.389 0.000 3.628) 3.649 16.982 ( 0.475 0.000 4.560) 4.585 17.756 ( -12.655 0.000 30.114) 32.665 17.757 ( 1.530 0.000 1.976) 2.499 18.512 ( 9.432 0.000 5.905) 11.129 18.538 ( -3.717 0.000 -2.035) 4.237 18.584 ( -10.484 0.000 -5.894) 12.027 19.112 ( 10.881 0.000 5.666) 12.268 21.864 ( -5.304 0.000 32.861) 33.286 22.034 ( -0.324 0.000 -1.087) 1.134 24.286 ( 0.597 0.000 -1.862) 1.955 24.759 ( -0.656 0.000 1.198) 1.365 25.471 ( 0.439 0.000 -0.448) 0.627 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 9.123 0.000 1.963) 9.332 0.861 ( 14.512 0.000 11.611) 18.585 1.492 ( 4.928 0.000 -10.855) 11.922 1.828 ( 4.285 0.000 -3.588) 5.588 1.862 ( 37.559 0.000 13.316) 39.850 2.381 ( 11.380 0.000 1.736) 11.511 2.648 ( 0.731 0.000 2.897) 2.988 2.794 ( 0.673 0.000 1.083) 1.276 3.051 ( 4.987 0.000 -6.074) 7.859 3.299 ( -11.599 0.000 2.557) 11.878 3.455 ( -1.797 0.000 10.163) 10.320 3.621 ( -8.641 0.000 -0.592) 8.661 3.808 ( -8.095 0.000 0.588) 8.116 4.069 ( 2.471 0.000 -2.626) 3.606 4.271 ( -5.737 0.000 4.249) 7.139 4.285 ( 1.209 0.000 -2.604) 2.871 4.501 ( -3.227 0.000 -6.895) 7.613 4.581 ( -2.733 0.000 5.421) 6.071 4.959 ( -0.448 0.000 -19.010) 19.015 5.065 ( 7.579 0.000 -2.163) 7.881 5.381 ( -1.215 0.000 3.906) 4.090 5.475 ( 2.090 0.000 1.663) 2.670 5.783 ( 0.788 0.000 0.425) 0.896 5.991 ( 6.026 0.000 2.991) 6.728 6.104 ( -1.646 0.000 0.876) 1.864 6.541 ( -3.819 0.000 25.327) 25.613 6.778 ( 10.864 0.000 1.479) 10.964 7.097 ( -3.310 0.000 -0.468) 3.343 7.792 ( -5.737 0.000 3.431) 6.685 7.910 ( -3.991 0.000 0.932) 4.098 7.998 ( 6.948 0.000 1.177) 7.047 8.124 ( -1.404 0.000 -0.407) 1.462 8.284 ( -2.039 0.000 0.044) 2.040 8.472 ( -4.880 0.000 -1.469) 5.096 8.708 ( -4.283 0.000 -0.955) 4.388 9.067 ( 3.486 0.000 2.436) 4.253 9.195 ( 6.388 0.000 -3.376) 7.225 9.514 ( 3.063 0.000 -3.009) 4.294 9.642 ( -1.025 0.000 5.638) 5.730 9.969 ( 2.463 0.000 -2.271) 3.351 9.980 ( 2.629 0.000 3.655) 4.503 10.397 ( 4.783 0.000 -16.487) 17.167 10.660 ( -18.026 0.000 4.417) 18.559 10.877 ( -9.291 0.000 8.527) 12.611 11.442 ( 4.131 0.000 -15.246) 15.796 11.493 ( 3.582 0.000 -6.602) 7.511 11.533 ( -2.461 0.000 4.788) 5.384 12.428 ( 7.958 0.000 6.794) 10.464 12.831 ( 0.818 0.000 -4.905) 4.973 12.869 ( -2.684 0.000 -6.044) 6.613 13.075 ( -8.050 0.000 5.377) 9.680 13.243 ( 5.519 0.000 -14.222) 15.256 13.626 ( 7.331 0.000 -5.581) 9.213 14.030 ( 15.400 0.000 -1.820) 15.507 14.959 ( -14.285 0.000 9.624) 17.224 15.362 ( 11.233 0.000 6.616) 13.036 15.654 ( -1.344 0.000 3.524) 3.772 15.940 ( 0.641 0.000 -6.219) 6.252 16.485 ( -6.644 0.000 -21.029) 22.053 16.724 ( -7.222 0.000 3.841) 8.180 17.005 ( 0.354 0.000 3.993) 4.008 17.644 ( -5.830 0.000 9.328) 11.000 17.819 ( 4.624 0.000 2.107) 5.081 18.374 ( -10.222 0.000 -2.225) 10.462 18.454 ( -3.487 0.000 -4.602) 5.773 18.702 ( 7.878 0.000 4.023) 8.846 19.308 ( 7.604 0.000 4.084) 8.631 21.878 ( -1.633 0.000 14.166) 14.259 22.021 ( -0.516 0.000 -1.897) 1.966 24.292 ( 0.500 0.000 -0.890) 1.021 24.749 ( -0.754 0.000 1.475) 1.657 25.479 ( 0.493 0.000 -0.549) 0.738 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 3.675 0.000 0.119) 3.677 1.072 ( 4.501 0.000 5.957) 7.466 1.528 ( 2.315 0.000 -6.167) 6.587 1.861 ( 0.686 0.000 -1.238) 1.415 2.484 ( 21.951 0.000 2.885) 22.140 2.645 ( 12.652 0.000 1.922) 12.797 2.666 ( -1.420 0.000 7.639) 7.769 2.817 ( 3.739 0.000 -2.393) 4.439 3.043 ( -15.595 0.000 2.894) 15.861 3.122 ( 5.638 0.000 -5.096) 7.600 3.387 ( -12.928 0.000 -4.678) 13.749 3.505 ( 2.515 0.000 10.408) 10.707 3.633 ( -8.016 0.000 -4.082) 8.996 4.093 ( 0.788 0.000 -1.048) 1.311 4.228 ( -0.998 0.000 2.757) 2.932 4.334 ( 4.184 0.000 -1.565) 4.467 4.424 ( -3.498 0.000 -2.726) 4.434 4.556 ( -0.670 0.000 -0.191) 0.697 4.900 ( -0.877 0.000 -5.587) 5.656 5.164 ( 3.232 0.000 -1.145) 3.429 5.369 ( -1.003 0.000 1.876) 2.127 5.510 ( 0.879 0.000 0.781) 1.176 5.784 ( -0.275 0.000 0.160) 0.318 6.098 ( 0.235 0.000 -0.137) 0.272 6.098 ( 3.485 0.000 1.488) 3.790 6.537 ( -1.910 0.000 8.036) 8.260 6.944 ( 5.408 0.000 0.916) 5.485 7.023 ( -3.385 0.000 -0.705) 3.457 7.717 ( -2.435 0.000 0.792) 2.560 7.868 ( -0.795 0.000 0.059) 0.797 8.093 ( -1.287 0.000 0.043) 1.288 8.093 ( 2.562 0.000 -0.706) 2.657 8.262 ( -0.421 0.000 0.114) 0.436 8.413 ( -1.520 0.000 1.619) 2.221 8.635 ( -2.038 0.000 -1.579) 2.578 9.113 ( 1.086 0.000 0.390) 1.153 9.336 ( 6.158 0.000 0.421) 6.172 9.529 ( 0.278 0.000 -2.433) 2.449 9.665 ( 0.779 0.000 3.493) 3.579 9.947 ( -4.081 0.000 2.927) 5.022 10.028 ( 3.450 0.000 -0.325) 3.465 10.385 ( -10.066 0.000 0.699) 10.090 10.481 ( 6.634 0.000 -11.590) 13.355 10.749 ( -6.130 0.000 7.221) 9.472 11.455 ( 1.834 0.000 -8.491) 8.687 11.507 ( -1.827 0.000 4.861) 5.193 11.519 ( 1.052 0.000 -2.733) 2.928 12.555 ( 3.103 0.000 3.954) 5.026 12.819 ( -1.120 0.000 -1.652) 1.996 12.838 ( 2.324 0.000 -8.407) 8.722 12.928 ( -6.985 0.000 6.247) 9.371 13.283 ( 1.891 0.000 -4.019) 4.442 13.781 ( 6.241 0.000 -0.946) 6.312 14.344 ( 18.352 0.000 -4.581) 18.915 14.682 ( -17.767 0.000 7.741) 19.380 15.443 ( -1.165 0.000 1.672) 2.038 15.642 ( -0.631 0.000 1.583) 1.704 16.129 ( 17.777 0.000 -2.309) 17.926 16.333 ( -3.276 0.000 -7.687) 8.356 16.505 ( -16.105 0.000 2.197) 16.254 17.020 ( 0.144 0.000 1.494) 1.501 17.596 ( -1.535 0.000 2.236) 2.713 17.941 ( 6.860 0.000 1.211) 6.967 18.182 ( -8.675 0.000 -1.212) 8.759 18.399 ( -1.116 0.000 -1.821) 2.136 18.814 ( 2.881 0.000 1.337) 3.176 19.415 ( 2.655 0.000 1.473) 3.036 21.893 ( -0.327 0.000 4.747) 4.758 22.006 ( -0.294 0.000 -1.224) 1.259 24.297 ( 0.208 0.000 -0.294) 0.360 24.742 ( -0.314 0.000 0.651) 0.723 25.485 ( 0.201 0.000 -0.242) 0.315 ======================= Grid point 7 (5/125) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.000 22.767 0.000) 22.767 0.722 ( 0.000 33.355 0.000) 33.355 1.157 ( 0.000 53.630 0.000) 53.630 1.505 ( 0.000 2.306 0.000) 2.306 1.791 ( 0.000 11.017 0.000) 11.017 2.230 ( 0.000 1.420 0.000) 1.420 2.624 ( 0.000 0.642 0.000) 0.642 2.815 ( 0.000 3.362 0.000) 3.362 2.948 ( 0.000 0.821 0.000) 0.821 3.464 ( 0.000 -2.306 0.000) 2.306 3.541 ( 0.000 4.906 0.000) 4.906 3.642 ( 0.000 0.984 0.000) 0.984 3.669 ( 0.000 -10.741 0.000) 10.741 3.833 ( 0.000 -6.554 0.000) 6.554 4.003 ( 0.000 -5.148 0.000) 5.148 4.314 ( 0.000 -15.927 0.000) 15.927 4.582 ( 0.000 1.391 0.000) 1.391 4.645 ( 0.000 -10.756 0.000) 10.756 4.904 ( 0.000 0.719 0.000) 0.719 4.965 ( 0.000 5.546 0.000) 5.546 5.419 ( 0.000 0.135 0.000) 0.135 5.449 ( 0.000 -1.167 0.000) 1.167 5.773 ( 0.000 4.605 0.000) 4.605 5.895 ( 0.000 3.582 0.000) 3.582 6.133 ( 0.000 9.139 0.000) 9.139 6.321 ( 0.000 5.557 0.000) 5.557 6.544 ( 0.000 0.636 0.000) 0.636 7.043 ( 0.000 -8.496 0.000) 8.496 7.767 ( 0.000 0.276 0.000) 0.276 8.002 ( 0.000 5.301 0.000) 5.301 8.283 ( 0.000 11.376 0.000) 11.376 8.291 ( 0.000 7.375 0.000) 7.375 8.438 ( 0.000 1.330 0.000) 1.330 8.457 ( 0.000 -8.012 0.000) 8.012 8.827 ( 0.000 9.125 0.000) 9.125 8.858 ( 0.000 1.031 0.000) 1.031 9.082 ( 0.000 0.997 0.000) 0.997 9.565 ( 0.000 2.845 0.000) 2.845 9.660 ( 0.000 1.973 0.000) 1.973 9.936 ( 0.000 -5.780 0.000) 5.780 10.398 ( 0.000 -5.058 0.000) 5.058 10.525 ( 0.000 -7.465 0.000) 7.465 11.103 ( 0.000 0.679 0.000) 0.679 11.242 ( 0.000 7.889 0.000) 7.889 11.322 ( 0.000 6.426 0.000) 6.426 11.514 ( 0.000 2.415 0.000) 2.415 11.564 ( 0.000 1.239 0.000) 1.239 12.046 ( 0.000 5.571 0.000) 5.571 12.133 ( 0.000 -0.616 0.000) 0.616 12.888 ( 0.000 -0.410 0.000) 0.410 12.997 ( 0.000 -2.148 0.000) 2.148 13.366 ( 0.000 -14.994 0.000) 14.994 13.957 ( 0.000 12.592 0.000) 12.592 14.383 ( 0.000 1.540 0.000) 1.540 14.834 ( 0.000 -3.394 0.000) 3.394 15.284 ( 0.000 4.141 0.000) 4.141 15.605 ( 0.000 -5.631 0.000) 5.631 15.854 ( 0.000 -0.047 0.000) 0.047 16.081 ( 0.000 -4.757 0.000) 4.757 16.784 ( 0.000 -9.168 0.000) 9.168 16.791 ( 0.000 0.845 0.000) 0.845 17.009 ( 0.000 -1.258 0.000) 1.258 18.336 ( 0.000 -4.702 0.000) 4.702 18.590 ( 0.000 1.089 0.000) 1.089 18.716 ( 0.000 -0.955 0.000) 0.955 18.891 ( 0.000 -3.795 0.000) 3.795 19.666 ( 0.000 2.192 0.000) 2.192 21.178 ( 0.000 -15.778 0.000) 15.778 22.279 ( 0.000 17.917 0.000) 17.917 23.924 ( 0.000 -3.457 0.000) 3.457 25.006 ( 0.000 0.733 0.000) 0.733 25.450 ( 0.000 -1.723 0.000) 1.723 ======================= Grid point 8 (6/125) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 12.270 24.081 6.962) 27.909 0.858 ( 20.583 17.272 3.851) 27.144 1.220 ( 11.789 36.032 2.962) 38.027 1.513 ( 2.068 2.265 -4.171) 5.177 1.920 ( 11.798 16.488 -0.429) 20.278 2.249 ( 2.311 0.540 0.730) 2.483 2.637 ( 0.672 1.428 3.598) 3.929 2.803 ( -0.399 1.194 -3.336) 3.565 2.976 ( 3.290 1.120 -0.947) 3.602 3.447 ( -2.866 -0.597 3.130) 4.286 3.514 ( -5.936 2.332 4.524) 7.819 3.630 ( -1.935 -9.155 -0.278) 9.361 3.805 ( -1.895 -7.010 2.012) 7.535 3.881 ( 8.286 -10.079 1.051) 13.090 4.094 ( 5.666 -8.681 7.580) 12.842 4.250 ( -5.419 -13.222 -1.328) 14.351 4.578 ( 0.146 1.196 -1.609) 2.010 4.656 ( 3.556 -9.260 -12.755) 16.158 4.804 ( -6.100 4.863 12.854) 15.036 5.075 ( 8.211 1.054 -12.670) 15.135 5.375 ( -1.675 -0.833 2.089) 2.804 5.590 ( 5.238 4.295 1.887) 7.032 5.756 ( 2.887 4.602 -3.074) 6.242 5.920 ( 1.775 2.934 0.074) 3.430 6.172 ( -0.736 3.704 8.637) 9.426 6.390 ( 3.852 0.408 16.478) 16.927 6.615 ( 6.761 0.329 2.445) 7.197 7.072 ( 1.825 -6.166 1.375) 6.575 7.761 ( -0.960 -2.690 0.547) 2.908 7.938 ( -5.913 3.839 1.699) 7.252 8.188 ( -6.766 6.943 5.780) 11.287 8.317 ( -1.466 5.245 -0.066) 5.446 8.329 ( -0.692 11.633 -2.803) 11.986 8.602 ( 1.576 -4.625 1.281) 5.051 8.684 ( -1.142 3.359 -5.370) 6.436 8.986 ( 4.754 2.146 1.937) 5.564 9.180 ( 6.713 1.361 -3.359) 7.629 9.463 ( -6.795 2.017 2.210) 7.425 9.625 ( -3.046 0.653 0.851) 3.230 9.932 ( 1.003 -3.451 -2.711) 4.502 10.357 ( 0.857 10.760 -15.394) 18.801 10.399 ( -7.345 6.306 8.253) 12.721 10.988 ( -17.007 1.870 7.682) 18.755 11.065 ( -9.655 4.521 0.770) 10.689 11.306 ( 6.838 0.145 -12.865) 14.570 11.519 ( 1.691 3.538 -5.222) 6.531 11.556 ( -1.486 0.426 2.434) 2.883 12.115 ( 7.634 -6.507 0.448) 10.041 12.508 ( 19.986 -8.149 -0.718) 21.595 12.921 ( 3.919 -4.632 -5.581) 8.244 12.980 ( -1.690 -2.116 0.148) 2.712 13.270 ( -5.502 -6.345 -11.090) 13.911 13.879 ( -3.641 5.811 -2.511) 7.303 14.043 ( -14.178 17.615 -11.319) 25.287 15.051 ( 18.545 0.275 5.785) 19.428 15.170 ( -10.955 1.838 10.522) 15.301 15.642 ( -0.956 -4.451 3.671) 5.849 15.924 ( -3.392 -9.048 -12.054) 15.450 16.317 ( 15.579 -18.981 -4.042) 24.886 16.758 ( -2.542 0.419 0.778) 2.692 16.906 ( 9.633 -15.414 7.671) 19.729 17.028 ( 0.306 0.165 5.010) 5.022 18.336 ( -3.911 -4.852 0.622) 6.263 18.541 ( -5.020 1.059 -1.189) 5.266 18.590 ( -3.169 0.909 -3.703) 4.958 19.028 ( -21.449 17.566 -3.014) 27.887 19.082 ( 0.730 8.555 3.307) 9.201 21.553 ( 14.657 -22.711 14.959) 30.893 22.231 ( -4.404 17.147 4.212) 18.197 24.054 ( 8.570 -10.752 -0.963) 13.784 24.900 ( -7.169 5.360 1.301) 9.045 25.467 ( 1.220 -1.095 -0.662) 1.768 ======================= Grid point 9 (7/125) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 5.675 23.826 -4.310) 24.869 1.056 ( 5.222 26.474 13.062) 29.979 1.521 ( 5.725 3.349 -11.465) 13.245 1.701 ( 21.970 -2.370 8.054) 23.520 2.152 ( 11.283 18.128 -0.640) 21.362 2.375 ( 12.029 -0.319 3.327) 12.484 2.666 ( 0.662 1.768 2.274) 2.956 2.796 ( 1.196 -1.164 -1.329) 2.133 3.043 ( 4.162 0.071 -2.393) 4.802 3.321 ( -10.363 2.993 -0.377) 10.793 3.461 ( -2.588 0.238 11.192) 11.490 3.543 ( -6.538 -7.873 -1.055) 10.289 3.739 ( -5.153 -5.957 -1.764) 8.072 3.976 ( 3.353 -7.427 -0.994) 8.209 4.128 ( -6.187 -7.949 1.500) 10.184 4.146 ( -1.388 -9.106 -1.115) 9.279 4.583 ( 1.805 2.846 -2.310) 4.086 4.703 ( 5.092 -1.680 -11.210) 12.426 4.782 ( -0.211 0.810 5.715) 5.776 5.172 ( 5.143 3.482 -5.233) 8.121 5.346 ( -2.626 -2.306 2.817) 4.488 5.623 ( 0.548 11.894 -1.025) 11.951 5.833 ( 2.388 3.694 0.945) 4.499 5.979 ( 4.614 -0.877 2.185) 5.179 6.181 ( 0.883 6.434 1.331) 6.630 6.497 ( 0.443 -2.467 17.995) 18.168 6.777 ( 8.488 -1.111 1.580) 8.705 7.081 ( -1.810 -1.870 -0.555) 2.661 7.732 ( -1.575 -7.286 -1.025) 7.524 7.835 ( -5.150 2.442 3.766) 6.832 8.112 ( -3.000 -1.938 3.189) 4.788 8.287 ( -1.077 8.793 -3.920) 9.687 8.312 ( -1.493 15.350 -0.307) 15.426 8.519 ( -3.920 4.167 0.024) 5.721 8.742 ( 1.806 -0.536 -0.329) 1.912 9.074 ( 4.191 3.451 -0.360) 5.441 9.231 ( 4.168 3.557 -4.329) 6.983 9.457 ( 1.383 -3.863 7.381) 8.445 9.581 ( -1.838 -1.760 2.537) 3.594 9.971 ( 3.264 -0.091 -1.217) 3.485 10.311 ( -4.336 11.240 4.978) 13.036 10.386 ( 6.237 9.786 -18.616) 21.937 10.677 ( -15.745 1.667 4.344) 16.419 10.912 ( -8.950 2.719 5.169) 10.687 11.374 ( 5.135 -3.483 -13.583) 14.933 11.514 ( -2.332 -0.706 3.535) 4.294 11.534 ( -0.238 0.724 -3.225) 3.314 12.275 ( 7.524 -9.661 2.313) 12.462 12.722 ( 4.931 -5.695 -5.474) 9.311 12.872 ( -5.893 -1.835 -2.427) 6.632 12.967 ( -3.540 -8.897 6.003) 11.301 13.284 ( 10.809 0.371 -7.471) 13.145 13.705 ( -4.371 6.430 -10.453) 13.027 14.084 ( 10.938 3.544 1.574) 11.605 14.951 ( -15.574 -1.516 9.051) 18.077 15.355 ( 5.793 -0.315 5.148) 7.757 15.680 ( 4.589 0.700 5.706) 7.356 15.814 ( 1.446 -9.157 -10.022) 13.652 16.397 ( -0.140 -8.105 -12.698) 15.065 16.703 ( -5.206 -0.747 -0.369) 5.273 17.029 ( -3.051 -0.877 14.169) 14.520 17.108 ( 9.680 -19.327 -3.071) 21.833 18.166 ( -10.838 2.816 2.112) 11.395 18.429 ( -4.860 -1.504 -4.059) 6.508 18.553 ( -4.682 11.509 -3.321) 12.862 18.755 ( -0.313 9.292 2.226) 9.560 19.265 ( 7.570 -3.341 4.429) 9.386 21.743 ( 3.883 -13.232 7.408) 15.654 22.171 ( -3.003 14.003 2.563) 14.549 24.165 ( 3.745 -9.843 -0.930) 10.573 24.806 ( -3.501 4.098 1.766) 5.672 25.485 ( 0.860 -0.067 -0.639) 1.074 ======================= Grid point 10 (8/125) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 1.028 28.820 -2.159) 28.919 1.179 ( 2.441 12.803 6.422) 14.530 1.563 ( 2.336 3.307 -5.545) 6.866 1.970 ( 4.858 7.068 1.398) 8.689 2.373 ( 10.788 -5.219 0.321) 11.988 2.613 ( 0.687 -3.006 7.709) 8.303 2.674 ( 6.927 0.404 -5.455) 8.826 2.867 ( 5.529 0.528 1.593) 5.778 3.106 ( -10.189 9.650 2.398) 14.237 3.123 ( 4.829 -2.882 -2.976) 6.363 3.376 ( -8.310 -1.519 -4.259) 9.461 3.496 ( 1.259 -0.182 12.560) 12.624 3.606 ( -6.365 -1.578 -6.703) 9.377 4.017 ( 1.270 -6.955 -0.708) 7.105 4.044 ( -2.111 -6.630 -0.358) 6.967 4.108 ( -1.534 -13.849 -0.215) 13.935 4.615 ( 1.312 3.392 -1.009) 3.774 4.753 ( 2.511 7.453 -4.015) 8.830 4.811 ( 1.366 1.913 0.830) 2.493 5.227 ( 1.979 3.867 -1.627) 4.639 5.299 ( -2.589 -4.585 1.872) 5.589 5.630 ( 0.293 10.967 0.030) 10.971 5.847 ( -0.093 5.785 -0.049) 5.785 6.069 ( 2.748 -2.098 1.550) 3.789 6.218 ( 2.077 8.312 -0.059) 8.567 6.533 ( -0.625 -0.309 7.144) 7.178 6.906 ( 4.165 -3.609 0.822) 5.572 7.009 ( -3.934 -1.243 -1.326) 4.334 7.725 ( 1.842 -5.110 -2.800) 6.111 7.771 ( -3.575 -0.857 3.835) 5.313 8.102 ( 0.690 -5.562 2.483) 6.130 8.224 ( -3.023 4.457 -4.228) 6.847 8.284 ( -1.016 16.216 0.015) 16.247 8.497 ( 0.155 8.150 1.788) 8.345 8.740 ( -0.564 4.800 -0.823) 4.902 9.132 ( 1.894 4.620 0.116) 4.995 9.343 ( 6.062 0.189 -2.870) 6.710 9.487 ( 1.464 -6.826 0.297) 6.987 9.556 ( -3.555 -1.360 6.577) 7.599 10.014 ( 1.153 -1.200 -0.328) 1.696 10.272 ( -2.417 22.672 4.147) 23.175 10.407 ( 3.148 -1.383 -12.434) 12.900 10.492 ( -4.965 5.045 0.292) 7.084 10.788 ( -4.754 3.034 4.462) 7.192 11.419 ( 4.053 -2.579 -10.331) 11.394 11.478 ( -3.434 -2.246 8.793) 9.703 11.516 ( -0.321 -1.518 -3.156) 3.516 12.388 ( 3.379 -12.009 1.585) 12.575 12.696 ( -3.259 -8.656 -2.079) 9.480 12.795 ( -0.819 -6.956 -4.435) 8.290 12.935 ( -1.239 3.016 4.844) 5.839 13.405 ( 2.249 7.177 -2.400) 7.895 13.726 ( 5.346 -4.230 -2.720) 7.340 14.334 ( 14.814 -1.667 -1.912) 15.030 14.661 ( -17.128 -2.598 6.197) 18.399 15.351 ( -2.433 -8.570 1.783) 9.085 15.651 ( -2.373 1.196 -2.277) 3.499 16.108 ( 20.859 -2.092 2.347) 21.094 16.340 ( -0.700 -0.521 -6.989) 7.043 16.501 ( -15.977 0.815 0.214) 15.999 17.023 ( -0.824 0.051 4.442) 4.518 17.241 ( 4.516 -19.971 -1.494) 20.530 18.018 ( -4.834 1.742 1.847) 5.460 18.358 ( -1.483 -3.554 -1.939) 4.312 18.459 ( -2.663 17.721 -1.519) 17.984 18.806 ( 1.980 -0.104 1.279) 2.359 19.373 ( 2.681 -3.434 1.579) 4.634 21.799 ( 0.862 -9.425 2.310) 9.742 22.138 ( -1.068 12.032 0.697) 12.099 24.205 ( 1.012 -8.224 -0.372) 8.294 24.770 ( -1.019 2.595 0.784) 2.896 25.495 ( 0.327 0.421 -0.258) 0.592 ======================= Grid point 14 (9/125) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 25.134 0.000) 25.134 1.304 ( 0.000 23.315 0.000) 23.315 1.563 ( 0.000 3.758 0.000) 3.758 1.943 ( 0.000 15.036 0.000) 15.036 2.010 ( 0.000 9.636 0.000) 9.636 2.474 ( 0.000 28.505 0.000) 28.505 2.672 ( 0.000 4.089 0.000) 4.089 2.842 ( 0.000 -0.912 0.000) 0.912 2.967 ( 0.000 1.380 0.000) 1.380 3.362 ( 0.000 -10.343 0.000) 10.343 3.444 ( 0.000 -5.860 0.000) 5.860 3.529 ( 0.000 -10.653 0.000) 10.653 3.670 ( 0.000 -8.794 0.000) 8.794 3.721 ( 0.000 11.004 0.000) 11.004 3.914 ( 0.000 -21.596 0.000) 21.596 4.025 ( 0.000 8.045 0.000) 8.045 4.382 ( 0.000 -14.515 0.000) 14.515 4.627 ( 0.000 2.315 0.000) 2.315 4.881 ( 0.000 -2.521 0.000) 2.521 5.067 ( 0.000 3.474 0.000) 3.474 5.441 ( 0.000 0.815 0.000) 0.815 5.469 ( 0.000 4.020 0.000) 4.020 5.893 ( 0.000 6.668 0.000) 6.668 5.996 ( 0.000 5.601 0.000) 5.601 6.340 ( 0.000 10.775 0.000) 10.775 6.401 ( 0.000 1.979 0.000) 1.979 6.577 ( 0.000 2.560 0.000) 2.560 6.852 ( 0.000 -9.765 0.000) 9.765 7.804 ( 0.000 2.570 0.000) 2.570 8.091 ( 0.000 3.633 0.000) 3.633 8.257 ( 0.000 -10.084 0.000) 10.084 8.420 ( 0.000 0.621 0.000) 0.621 8.476 ( 0.000 3.170 0.000) 3.170 8.537 ( 0.000 14.493 0.000) 14.493 8.917 ( 0.000 5.164 0.000) 5.164 9.077 ( 0.000 14.556 0.000) 14.556 9.178 ( 0.000 8.176 0.000) 8.176 9.574 ( 0.000 -3.414 0.000) 3.414 9.703 ( 0.000 2.187 0.000) 2.187 9.751 ( 0.000 -11.046 0.000) 11.046 10.333 ( 0.000 -1.527 0.000) 1.527 10.345 ( 0.000 -9.938 0.000) 9.938 11.125 ( 0.000 1.663 0.000) 1.663 11.410 ( 0.000 2.743 0.000) 2.743 11.434 ( 0.000 10.298 0.000) 10.298 11.604 ( 0.000 2.455 0.000) 2.455 11.654 ( 0.000 10.646 0.000) 10.646 12.127 ( 0.000 0.684 0.000) 0.684 12.179 ( 0.000 6.606 0.000) 6.606 12.889 ( 0.000 0.485 0.000) 0.485 12.918 ( 0.000 -5.731 0.000) 5.731 13.085 ( 0.000 -12.111 0.000) 12.111 14.186 ( 0.000 9.828 0.000) 9.828 14.418 ( 0.000 1.660 0.000) 1.660 14.755 ( 0.000 -3.623 0.000) 3.623 15.396 ( 0.000 6.624 0.000) 6.624 15.452 ( 0.000 -9.196 0.000) 9.196 15.842 ( 0.000 -1.220 0.000) 1.220 15.961 ( 0.000 -6.532 0.000) 6.532 16.592 ( 0.000 -10.096 0.000) 10.096 16.803 ( 0.000 0.139 0.000) 0.139 16.889 ( 0.000 -9.756 0.000) 9.756 18.230 ( 0.000 -4.493 0.000) 4.493 18.614 ( 0.000 0.583 0.000) 0.583 18.713 ( 0.000 0.814 0.000) 0.814 18.789 ( 0.000 -5.390 0.000) 5.390 19.735 ( 0.000 4.683 0.000) 4.683 20.865 ( 0.000 -14.634 0.000) 14.634 22.642 ( 0.000 17.010 0.000) 17.010 23.822 ( 0.000 -6.605 0.000) 6.605 25.030 ( 0.000 1.630 0.000) 1.630 25.399 ( 0.000 -3.312 0.000) 3.312 ======================= Grid point 15 (10/125) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 19.781 16.286 2.421) 25.736 1.323 ( 0.881 20.717 4.834) 21.292 1.574 ( 2.313 4.129 -6.203) 7.803 1.870 ( -2.262 19.754 -5.581) 20.652 2.161 ( 9.098 2.005 5.614) 10.877 2.478 ( 2.134 24.217 -3.661) 24.585 2.717 ( 1.487 7.451 8.079) 11.091 2.794 ( -1.944 -1.229 -4.602) 5.145 2.997 ( 1.689 0.229 -0.029) 1.705 3.364 ( -0.375 -11.709 0.094) 11.715 3.440 ( 0.247 -1.755 -2.123) 2.766 3.494 ( -3.958 -7.386 1.703) 8.551 3.620 ( -2.921 -10.081 -3.908) 11.199 3.810 ( 2.370 -1.734 2.732) 4.011 3.933 ( 6.051 -7.245 6.389) 11.399 4.080 ( 1.477 3.149 2.856) 4.500 4.409 ( 2.534 -13.389 -3.361) 14.034 4.612 ( 0.097 1.326 -3.815) 4.040 4.871 ( -0.234 0.518 5.445) 5.475 5.104 ( 5.154 1.916 -5.754) 7.959 5.405 ( -2.348 3.120 1.473) 4.174 5.582 ( 7.932 -1.900 4.805) 9.467 5.901 ( 0.974 8.071 -2.458) 8.493 6.014 ( 1.676 5.802 -0.051) 6.040 6.330 ( -0.376 10.025 0.526) 10.046 6.416 ( 0.949 1.099 3.876) 4.139 6.632 ( 5.112 1.497 1.365) 5.499 6.917 ( 5.543 -8.696 1.211) 10.383 7.764 ( -4.464 2.009 -0.463) 4.918 7.997 ( -7.873 2.031 0.800) 8.170 8.155 ( -7.990 -6.874 3.535) 11.117 8.469 ( 3.118 4.535 -4.836) 7.326 8.515 ( 2.865 -0.794 -1.614) 3.382 8.597 ( 3.828 13.873 5.514) 15.412 8.852 ( -3.310 10.096 -5.743) 12.078 9.077 ( 2.250 7.677 0.750) 8.035 9.285 ( 5.704 8.029 3.169) 10.346 9.494 ( -6.209 0.152 1.816) 6.471 9.613 ( -5.429 -3.092 -0.093) 6.249 9.840 ( 6.925 -3.839 -3.321) 8.586 10.237 ( -4.015 -9.660 -2.532) 10.763 10.508 ( 10.264 -1.505 -0.149) 10.374 11.051 ( -9.555 3.232 5.673) 11.573 11.233 ( -14.713 9.545 -1.613) 17.612 11.420 ( -0.610 9.406 -3.583) 10.083 11.577 ( -3.906 1.967 2.444) 5.010 11.602 ( -1.796 6.115 -5.241) 8.251 12.089 ( 3.666 1.556 -0.106) 3.984 12.451 ( 15.190 0.499 4.848) 15.953 12.803 ( -3.487 -6.248 -8.210) 10.890 12.923 ( -3.343 -3.539 -1.739) 5.170 13.123 ( 4.527 -6.703 -3.414) 8.779 13.958 ( -11.456 2.078 2.077) 11.827 14.280 ( -12.678 7.514 -6.445) 16.085 15.076 ( 19.430 1.003 4.729) 20.023 15.170 ( -10.131 -4.163 8.443) 13.829 15.483 ( -5.434 -5.522 -0.360) 7.756 15.846 ( 0.354 -0.522 -11.235) 11.252 16.060 ( 9.617 -8.893 0.721) 13.118 16.683 ( 6.286 -8.846 4.310) 11.676 16.758 ( -2.979 -0.769 1.874) 3.602 16.957 ( 5.267 -7.051 -1.484) 8.926 18.212 ( -2.730 -5.411 -0.182) 6.064 18.567 ( -3.601 0.481 -1.762) 4.038 18.593 ( -5.067 0.127 -3.576) 6.203 18.937 ( 5.740 -6.642 6.840) 11.129 19.460 ( -17.685 14.445 -4.300) 23.235 21.125 ( 17.245 -19.383 7.873) 27.113 22.593 ( -4.827 17.325 1.261) 18.029 23.873 ( 4.686 -8.496 -0.710) 9.729 24.976 ( -4.905 3.097 1.310) 5.947 25.422 ( 2.037 -3.300 -0.548) 3.917 ======================= Grid point 16 (11/125) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.642 14.663 2.653) 14.915 1.518 ( 15.598 12.121 4.179) 20.192 1.606 ( 3.260 4.029 -6.831) 8.575 1.859 ( 4.352 16.879 -1.573) 17.502 2.304 ( 3.847 -2.163 1.693) 4.727 2.559 ( 5.312 10.781 -0.424) 12.026 2.680 ( -1.692 2.062 -4.177) 4.956 2.850 ( 4.034 10.054 7.038) 12.919 2.992 ( -1.444 -6.561 -4.920) 8.327 3.336 ( -2.092 -9.884 -1.040) 10.157 3.392 ( -3.158 1.030 -2.747) 4.310 3.470 ( -0.889 -0.939 9.753) 9.838 3.582 ( 0.809 -7.408 -6.654) 9.990 3.841 ( 1.044 -5.276 5.913) 7.994 4.021 ( -7.042 -1.815 -2.503) 7.691 4.062 ( 2.781 2.288 1.531) 3.913 4.430 ( 1.026 -11.793 -3.894) 12.461 4.665 ( 6.711 -0.324 -1.310) 6.845 4.938 ( 4.981 6.890 4.122) 9.449 5.209 ( 6.614 0.636 -3.419) 7.473 5.350 ( -4.183 2.579 1.334) 5.092 5.758 ( 7.918 -4.713 6.641) 11.358 5.907 ( 0.608 9.388 -2.089) 9.637 6.036 ( 0.328 6.399 -1.321) 6.542 6.349 ( 2.563 9.649 -0.813) 10.017 6.468 ( 2.245 -0.389 8.224) 8.534 6.746 ( 5.381 -1.367 2.101) 5.936 7.011 ( 2.838 -5.057 -1.286) 5.940 7.644 ( -6.145 -1.829 -1.542) 6.594 7.863 ( -6.926 1.331 1.106) 7.139 8.042 ( -4.179 -5.182 5.110) 8.392 8.428 ( -6.645 1.407 -4.572) 8.188 8.569 ( 4.027 2.816 -0.386) 4.929 8.650 ( 1.514 14.736 -1.258) 14.867 8.849 ( 3.120 12.798 -0.548) 13.184 9.162 ( 5.886 4.652 0.957) 7.563 9.311 ( -0.728 3.090 -5.090) 5.998 9.430 ( -4.767 0.369 10.199) 11.264 9.569 ( 1.138 1.357 1.977) 2.654 9.960 ( 5.026 -1.167 -0.607) 5.195 10.187 ( 2.867 -10.037 -11.027) 15.184 10.672 ( 3.943 0.019 -0.571) 3.984 10.822 ( -11.125 11.993 6.757) 17.699 11.004 ( -9.402 10.528 -2.634) 14.359 11.399 ( 0.171 6.899 -5.131) 8.600 11.490 ( -5.199 -0.513 3.630) 6.361 11.553 ( -3.043 1.494 -2.077) 3.976 12.176 ( 4.073 -1.308 -1.418) 4.507 12.606 ( -3.127 -6.215 1.097) 7.043 12.715 ( -5.722 -10.865 -4.433) 13.055 12.883 ( 5.216 0.326 3.886) 6.513 13.263 ( 12.718 -1.699 -5.150) 13.826 13.799 ( -7.863 1.940 -5.378) 9.722 14.144 ( 1.566 2.986 2.214) 4.034 14.837 ( -17.756 -10.926 6.090) 21.720 15.297 ( -11.837 -8.345 1.444) 14.555 15.630 ( 26.181 2.346 5.420) 26.839 15.781 ( -2.818 2.547 -8.872) 9.651 16.223 ( 7.009 -7.656 -4.713) 11.400 16.692 ( -3.362 -1.188 -5.659) 6.689 16.814 ( 3.495 -7.519 14.171) 16.419 17.032 ( 3.052 -3.171 -4.855) 6.553 18.126 ( -5.149 -3.559 -0.993) 6.338 18.419 ( -9.006 0.764 -1.377) 9.143 18.586 ( 1.983 -3.473 -0.059) 3.999 18.935 ( -5.743 -0.843 0.306) 5.813 19.307 ( 1.203 11.708 2.134) 11.961 21.402 ( 9.199 -19.457 5.231) 22.148 22.500 ( -4.782 17.075 1.078) 17.765 23.957 ( 3.852 -10.498 -0.774) 11.209 24.891 ( -4.035 4.392 1.558) 6.164 25.457 ( 1.661 -2.861 -0.517) 3.348 ======================= Grid point 17 (12/125) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -0.184 11.521 0.493) 11.533 1.638 ( 1.385 3.431 -2.090) 4.249 1.664 ( 1.811 21.324 0.477) 21.406 2.037 ( 9.292 1.865 1.302) 9.566 2.343 ( 0.762 -0.200 -0.161) 0.804 2.522 ( -4.935 -5.240 1.468) 7.346 2.758 ( 6.061 7.361 -4.607) 10.589 2.914 ( 0.191 5.868 4.633) 7.479 2.946 ( -0.734 -11.357 -4.034) 12.075 3.305 ( -1.059 -5.415 2.281) 5.971 3.358 ( 0.059 10.437 -1.718) 10.577 3.480 ( -0.614 -4.615 4.315) 6.348 3.588 ( 1.214 0.509 -3.831) 4.051 3.836 ( -4.645 -5.808 1.272) 7.545 3.938 ( 2.072 -3.046 1.651) 4.037 4.048 ( -2.774 5.377 -2.115) 6.409 4.431 ( 0.231 -12.568 -1.674) 12.681 4.800 ( 5.487 -1.804 0.748) 5.824 5.039 ( 3.527 11.885 -0.114) 12.398 5.269 ( -3.088 2.718 1.643) 4.430 5.289 ( 1.715 1.271 -1.541) 2.633 5.875 ( 1.480 8.638 1.984) 8.985 5.939 ( 3.738 -3.008 1.632) 5.068 6.014 ( -1.846 5.777 -1.735) 6.308 6.407 ( 2.880 9.631 -1.152) 10.118 6.534 ( 1.555 0.676 4.815) 5.105 6.831 ( 3.145 -2.913 2.468) 4.947 6.978 ( -4.372 -1.634 -2.958) 5.526 7.605 ( 3.006 -6.140 -1.369) 6.972 7.726 ( -7.370 -1.757 0.736) 7.612 8.056 ( 2.768 -2.245 5.187) 6.293 8.262 ( -7.109 -0.759 -4.656) 8.532 8.641 ( 2.720 9.957 0.643) 10.342 8.665 ( 0.461 12.016 -1.623) 12.134 8.892 ( 1.059 13.522 -0.004) 13.563 9.262 ( 3.085 5.097 0.491) 5.978 9.321 ( 3.782 -1.215 -6.297) 7.445 9.369 ( -4.116 -3.339 7.487) 9.173 9.578 ( -1.546 1.435 2.971) 3.644 9.995 ( -0.274 -0.231 0.474) 0.594 10.291 ( 8.832 -6.755 -9.531) 14.644 10.572 ( -6.266 8.088 4.125) 11.032 10.816 ( -2.640 -1.110 0.085) 2.866 10.857 ( -1.005 24.860 -0.374) 24.883 11.384 ( -0.798 -1.464 -1.604) 2.314 11.442 ( 0.335 1.426 -0.810) 1.674 11.482 ( -3.815 -0.500 2.112) 4.389 12.218 ( 1.153 -4.403 -0.869) 4.634 12.498 ( -4.555 -10.366 0.301) 11.327 12.608 ( -2.886 -10.985 -2.858) 11.712 13.019 ( 4.430 5.386 3.799) 7.942 13.489 ( 7.731 1.197 -0.986) 7.885 13.663 ( -2.220 -1.265 -4.601) 5.262 14.268 ( 8.447 -4.269 1.661) 9.609 14.540 ( -14.439 -10.197 2.963) 17.923 15.119 ( -5.692 -13.686 0.527) 14.832 15.709 ( -1.770 4.359 -3.755) 6.019 16.072 ( 16.423 -0.329 3.953) 16.895 16.295 ( 3.060 -2.907 -3.376) 5.405 16.554 ( -8.978 3.576 -2.137) 9.898 16.928 ( 3.160 -9.114 11.652) 15.126 17.033 ( -0.016 -1.378 -9.208) 9.310 18.041 ( -3.127 0.490 0.539) 3.210 18.285 ( -3.645 -2.499 -1.303) 4.607 18.610 ( 0.309 -3.088 0.298) 3.118 18.858 ( -1.705 2.019 -0.231) 2.653 19.361 ( 1.841 5.839 1.392) 6.279 21.519 ( 2.540 -17.917 1.690) 18.175 22.437 ( -1.871 16.485 0.356) 16.595 24.004 ( 1.294 -11.109 -0.332) 11.190 24.843 ( -1.392 4.639 0.686) 4.892 25.477 ( 0.612 -2.476 -0.200) 2.559 ======================= Grid point 21 (13/125) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 23.049 0.000) 23.049 1.647 ( 0.000 10.826 0.000) 10.826 1.649 ( 0.000 4.499 0.000) 4.499 2.045 ( 0.000 1.229 0.000) 1.229 2.175 ( 0.000 6.960 0.000) 6.960 2.716 ( 0.000 -8.676 0.000) 8.676 2.726 ( 0.000 -1.107 0.000) 1.107 2.868 ( 0.000 6.536 0.000) 6.536 3.103 ( 0.000 -0.279 0.000) 0.279 3.209 ( 0.000 -0.478 0.000) 0.478 3.294 ( 0.000 -10.298 0.000) 10.298 3.406 ( 0.000 -15.868 0.000) 15.868 3.483 ( 0.000 0.527 0.000) 0.527 3.690 ( 0.000 14.785 0.000) 14.785 3.913 ( 0.000 -0.952 0.000) 0.952 4.120 ( 0.000 -0.215 0.000) 0.215 4.263 ( 0.000 10.571 0.000) 10.571 4.667 ( 0.000 1.610 0.000) 1.610 4.807 ( 0.000 -4.976 0.000) 4.976 5.059 ( 0.000 -4.673 0.000) 4.673 5.491 ( 0.000 3.741 0.000) 3.741 5.543 ( 0.000 2.763 0.000) 2.763 6.029 ( 0.000 6.695 0.000) 6.695 6.104 ( 0.000 5.214 0.000) 5.214 6.412 ( 0.000 -0.787 0.000) 0.787 6.535 ( 0.000 5.810 0.000) 5.810 6.632 ( 0.000 2.640 0.000) 2.640 6.656 ( 0.000 -7.946 0.000) 7.946 7.841 ( 0.000 0.803 0.000) 0.803 8.060 ( 0.000 -8.696 0.000) 8.696 8.174 ( 0.000 4.903 0.000) 4.903 8.391 ( 0.000 -1.665 0.000) 1.665 8.570 ( 0.000 6.740 0.000) 6.740 8.837 ( 0.000 14.320 0.000) 14.320 9.065 ( 0.000 8.545 0.000) 8.545 9.297 ( 0.000 1.336 0.000) 1.336 9.310 ( 0.000 1.955 0.000) 1.955 9.379 ( 0.000 -11.307 0.000) 11.307 9.632 ( 0.000 1.265 0.000) 1.265 9.773 ( 0.000 4.947 0.000) 4.947 10.144 ( 0.000 -8.800 0.000) 8.800 10.295 ( 0.000 -3.124 0.000) 3.124 11.178 ( 0.000 3.744 0.000) 3.744 11.461 ( 0.000 1.318 0.000) 1.318 11.626 ( 0.000 7.927 0.000) 7.927 11.648 ( 0.000 2.215 0.000) 2.215 11.887 ( 0.000 11.578 0.000) 11.578 12.191 ( 0.000 6.101 0.000) 6.101 12.274 ( 0.000 2.000 0.000) 2.000 12.790 ( 0.000 -6.700 0.000) 6.700 12.883 ( 0.000 -7.387 0.000) 7.387 12.899 ( 0.000 0.191 0.000) 0.191 14.348 ( 0.000 6.221 0.000) 6.221 14.447 ( 0.000 1.282 0.000) 1.282 14.718 ( 0.000 0.578 0.000) 0.578 15.242 ( 0.000 -11.425 0.000) 11.425 15.543 ( 0.000 7.792 0.000) 7.792 15.806 ( 0.000 -2.190 0.000) 2.190 15.838 ( 0.000 -5.183 0.000) 5.183 16.329 ( 0.000 -16.563 0.000) 16.563 16.718 ( 0.000 -4.658 0.000) 4.658 16.791 ( 0.000 -1.418 0.000) 1.418 18.188 ( 0.000 0.512 0.000) 0.512 18.547 ( 0.000 -7.287 0.000) 7.287 18.742 ( 0.000 1.765 0.000) 1.765 18.743 ( 0.000 1.073 0.000) 1.073 19.860 ( 0.000 7.852 0.000) 7.852 20.582 ( 0.000 -13.687 0.000) 13.687 22.957 ( 0.000 14.167 0.000) 14.167 23.661 ( 0.000 -9.145 0.000) 9.145 25.074 ( 0.000 2.754 0.000) 2.754 25.320 ( 0.000 -4.379 0.000) 4.379 ======================= Grid point 22 (14/125) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 9.715 18.503 -1.733) 20.970 1.627 ( -1.867 8.770 6.095) 10.842 1.674 ( 2.562 6.503 -4.953) 8.567 2.092 ( 4.174 3.969 -0.378) 5.772 2.204 ( 2.471 4.330 -1.228) 5.134 2.658 ( -4.870 -2.911 -1.112) 5.782 2.772 ( 3.646 -9.012 -2.650) 10.077 2.833 ( -1.926 7.355 -1.121) 7.685 3.090 ( -2.517 2.871 1.605) 4.142 3.198 ( 0.010 -5.991 -0.484) 6.011 3.313 ( 1.345 -6.399 0.914) 6.602 3.378 ( -2.151 -11.607 -2.440) 12.054 3.500 ( 1.101 -2.496 2.156) 3.477 3.716 ( 3.643 13.291 0.113) 13.782 3.962 ( 4.459 -5.210 -2.121) 7.178 4.203 ( 6.133 4.822 3.061) 8.381 4.281 ( 0.147 9.266 2.526) 9.605 4.620 ( -3.254 -0.870 -3.007) 4.516 4.845 ( 5.466 -2.506 2.463) 6.498 5.097 ( 3.910 -3.849 -1.719) 5.750 5.473 ( -2.006 3.334 0.737) 3.960 5.563 ( 1.820 0.058 1.467) 2.339 6.059 ( 2.513 7.541 1.532) 8.095 6.133 ( 2.581 5.831 0.077) 6.377 6.417 ( 1.321 -0.536 -2.850) 3.187 6.535 ( -0.147 7.590 1.362) 7.713 6.658 ( 1.660 -0.202 5.883) 6.116 6.736 ( 8.120 -7.329 -3.830) 11.590 7.808 ( -4.572 1.719 0.032) 4.884 7.966 ( -7.025 -6.348 1.394) 9.570 8.085 ( -7.254 3.348 -0.632) 8.015 8.477 ( 3.584 -2.648 -1.575) 4.726 8.571 ( 1.062 6.074 -0.925) 6.235 8.842 ( 0.643 9.898 0.384) 9.927 9.046 ( -0.407 7.703 -6.795) 10.280 9.255 ( 0.282 6.156 3.494) 7.084 9.342 ( 1.815 -5.097 -3.160) 6.266 9.444 ( -0.572 -3.611 12.021) 12.565 9.605 ( 0.886 5.715 0.081) 5.784 9.826 ( 4.445 0.659 -3.784) 5.875 10.043 ( -4.166 -6.240 -4.289) 8.642 10.441 ( 10.400 -4.993 -1.874) 11.688 11.132 ( -6.099 4.976 5.413) 9.553 11.372 ( -8.810 4.144 3.935) 10.501 11.605 ( -2.160 6.729 0.915) 7.126 11.614 ( -3.557 2.218 -1.448) 4.435 11.791 ( -7.524 11.219 -4.976) 14.396 12.118 ( -0.197 1.265 0.403) 1.342 12.476 ( 9.497 0.479 4.473) 10.508 12.698 ( -6.759 -4.284 -3.384) 8.689 12.851 ( 0.344 -2.136 -6.153) 6.522 13.025 ( 8.837 -3.034 -1.000) 9.396 13.996 ( -17.591 2.796 4.147) 18.288 14.377 ( -9.956 1.700 -2.242) 10.346 14.957 ( -21.981 -11.097 1.231) 24.654 15.067 ( 17.706 -4.651 3.361) 18.613 15.538 ( -0.626 9.004 2.310) 9.316 15.836 ( 4.222 -0.356 -9.232) 10.158 15.939 ( 8.903 -3.493 -1.027) 9.619 16.477 ( 11.800 -13.462 2.419) 18.065 16.715 ( -0.564 -2.623 3.831) 4.677 16.819 ( 3.324 -4.557 -2.087) 6.014 18.156 ( -2.950 0.155 -1.984) 3.558 18.500 ( -2.037 -6.253 -6.067) 8.947 18.636 ( -7.452 3.076 0.358) 8.070 18.824 ( 1.374 -4.016 7.657) 8.755 19.736 ( -8.194 13.897 -2.038) 16.261 20.752 ( 12.661 -17.978 4.740) 22.494 22.918 ( -3.663 14.986 -0.034) 15.428 23.687 ( 2.439 -10.121 -0.449) 10.421 25.043 ( -2.899 3.757 0.793) 4.812 25.339 ( 1.738 -4.808 -0.337) 5.124 ======================= Grid point 23 (15/125) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.688 9.645 -0.819) 9.705 1.671 ( 3.172 4.625 -1.322) 5.762 1.762 ( 10.199 10.817 2.350) 15.051 2.150 ( 1.353 11.109 -4.400) 12.025 2.247 ( 2.972 -3.469 1.433) 4.788 2.550 ( -6.609 -2.627 3.750) 8.040 2.770 ( -3.881 -9.875 -2.278) 10.852 2.842 ( 5.974 6.308 -12.112) 14.906 3.069 ( -0.182 1.643 4.950) 5.219 3.216 ( 0.029 -2.871 2.951) 4.117 3.299 ( -3.915 -8.591 -1.771) 9.606 3.365 ( 4.500 -1.218 -0.579) 4.698 3.528 ( 1.742 -5.454 -1.201) 5.850 3.839 ( 8.337 8.149 1.273) 11.728 4.022 ( 1.419 -6.631 -1.870) 7.034 4.152 ( -9.679 10.627 0.387) 14.379 4.343 ( 2.993 5.553 0.547) 6.332 4.624 ( 3.826 -3.635 1.830) 5.585 5.027 ( 11.200 1.827 4.485) 12.203 5.189 ( 6.438 -2.803 -3.148) 7.695 5.422 ( -3.532 3.527 0.270) 4.999 5.621 ( 3.472 -6.199 3.165) 7.778 6.112 ( 1.931 9.700 1.804) 10.054 6.175 ( 1.384 6.918 -0.675) 7.088 6.455 ( 3.805 -0.235 -2.186) 4.395 6.554 ( 1.754 7.978 1.994) 8.408 6.717 ( 2.205 -2.004 5.942) 6.647 6.892 ( 8.428 -5.721 -4.168) 11.006 7.648 ( -9.974 2.056 -2.224) 10.423 7.906 ( -1.691 -6.839 4.897) 8.580 7.914 ( -9.274 3.630 -0.315) 9.964 8.396 ( -8.998 -4.007 -3.993) 10.629 8.631 ( 4.517 4.023 -3.465) 6.971 8.882 ( 3.682 7.104 -1.212) 8.093 9.056 ( 3.228 6.466 -2.111) 7.529 9.270 ( 0.294 -0.888 -0.252) 0.969 9.366 ( -2.639 2.142 0.785) 3.488 9.436 ( 1.095 6.040 9.086) 10.965 9.640 ( -2.582 3.297 2.401) 4.827 9.882 ( 5.259 -5.438 -0.402) 7.576 10.075 ( 9.308 1.153 -10.306) 13.934 10.588 ( 5.170 -7.014 -5.421) 10.262 10.988 ( -10.018 8.293 7.208) 14.869 11.255 ( -3.783 9.613 7.431) 12.726 11.498 ( -6.892 0.854 0.824) 6.993 11.566 ( -4.047 4.335 -2.145) 6.306 11.646 ( -5.102 10.377 -2.120) 11.756 12.126 ( 0.366 -4.842 -1.463) 5.072 12.499 ( -8.775 -3.843 3.491) 10.196 12.534 ( -7.980 -6.216 -6.477) 12.012 12.943 ( 10.545 5.390 1.927) 11.998 13.228 ( 14.256 -1.779 -4.165) 14.958 13.806 ( -6.666 0.212 2.798) 7.232 14.216 ( -4.792 2.920 0.037) 5.612 14.550 ( -19.862 -14.251 2.041) 24.531 15.042 ( -13.566 -15.114 0.378) 20.313 15.806 ( 20.282 11.787 4.476) 23.882 15.838 ( -0.042 2.900 -8.586) 9.063 16.115 ( 9.868 -2.507 -2.967) 10.605 16.640 ( 3.190 -3.597 -1.420) 5.013 16.738 ( 1.332 -1.700 7.424) 7.732 16.909 ( 6.444 -8.371 -2.256) 10.802 18.080 ( -3.377 -0.275 -3.774) 5.072 18.454 ( -5.434 -3.212 -2.335) 6.730 18.473 ( -5.377 -1.462 0.763) 5.624 18.825 ( -2.842 -6.805 4.354) 8.564 19.639 ( -1.733 18.925 0.198) 19.005 20.978 ( 8.673 -22.222 3.743) 24.147 22.840 ( -4.042 16.512 -0.143) 17.000 23.733 ( 2.251 -11.898 -0.539) 12.121 24.990 ( -2.729 5.418 0.905) 6.134 25.371 ( 1.620 -5.435 -0.294) 5.679 ======================= Grid point 24 (16/125) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.838 9.754 0.084) 9.791 1.695 ( 0.690 2.818 -1.165) 3.126 1.952 ( 6.862 8.583 2.340) 11.235 2.111 ( -2.780 3.888 -3.918) 6.180 2.337 ( 5.334 -0.151 1.579) 5.565 2.442 ( -5.945 -1.621 2.691) 6.724 2.696 ( -1.820 -8.435 -2.186) 8.902 2.936 ( 6.922 5.817 -9.250) 12.935 3.060 ( -3.777 3.687 4.669) 7.047 3.158 ( -3.257 -4.658 1.341) 5.840 3.287 ( 0.860 -11.879 -0.158) 11.911 3.458 ( 1.621 -1.539 4.609) 5.123 3.610 ( 10.894 0.895 -6.992) 12.976 3.846 ( -12.875 4.639 0.636) 13.700 4.026 ( 5.252 10.284 3.982) 12.214 4.082 ( 0.603 -5.035 -2.979) 5.881 4.332 ( -2.751 6.381 0.084) 6.949 4.710 ( 3.009 -6.294 1.496) 7.135 5.224 ( 7.095 5.597 1.323) 9.133 5.285 ( 3.596 -1.012 -1.069) 3.886 5.352 ( -3.763 4.136 0.053) 5.592 5.698 ( 2.792 -11.406 2.005) 11.913 6.135 ( 0.286 10.657 0.715) 10.685 6.177 ( -0.435 8.349 -0.566) 8.380 6.533 ( 4.457 0.764 -1.547) 4.780 6.584 ( -0.752 3.895 2.037) 4.459 6.804 ( 5.661 0.893 5.116) 7.682 6.954 ( -1.800 -0.725 -4.516) 4.915 7.518 ( -1.257 -1.270 -1.391) 2.264 7.720 ( -8.383 -0.008 -0.037) 8.383 7.964 ( 4.097 -5.473 4.837) 8.374 8.195 ( -8.705 -6.213 -4.488) 11.599 8.698 ( 2.982 2.112 -2.365) 4.353 8.940 ( 2.058 9.722 -0.955) 9.984 9.113 ( 1.804 5.854 0.643) 6.160 9.283 ( 1.449 -2.347 -1.310) 3.054 9.310 ( -2.554 -1.842 2.723) 4.163 9.486 ( 0.680 13.624 5.247) 14.615 9.544 ( -4.232 -2.013 -3.194) 5.671 10.016 ( 4.912 1.835 2.316) 5.732 10.211 ( 6.117 -0.387 -6.543) 8.965 10.609 ( 0.593 -6.913 -3.864) 7.942 10.866 ( -4.387 9.876 3.794) 11.453 11.271 ( 1.662 14.024 4.239) 14.745 11.387 ( -5.459 2.929 0.458) 6.212 11.439 ( -4.226 -2.598 0.505) 4.986 11.610 ( -0.344 11.049 -0.707) 11.076 12.143 ( 2.156 -5.308 -1.009) 5.817 12.318 ( -7.571 -5.997 1.401) 9.759 12.385 ( -4.931 -9.862 -4.155) 11.783 13.159 ( 8.625 8.400 3.855) 12.642 13.490 ( 11.380 -0.450 -1.836) 11.536 13.668 ( -6.974 1.582 -2.060) 7.442 14.199 ( 0.698 -1.768 1.426) 2.376 14.266 ( -9.694 -15.133 1.667) 18.049 14.809 ( -7.961 -16.743 -0.446) 18.544 15.805 ( -0.693 4.714 -3.329) 5.812 16.069 ( 5.363 -2.326 1.166) 5.961 16.311 ( 10.015 7.095 -1.176) 12.330 16.623 ( -2.819 3.089 -0.391) 4.200 16.802 ( 2.316 -3.984 4.717) 6.594 16.982 ( 1.544 -4.540 -2.710) 5.508 18.025 ( -1.137 -1.279 -2.005) 2.636 18.305 ( -5.194 4.640 0.686) 6.998 18.452 ( -0.380 -11.113 -0.299) 11.123 18.785 ( -1.594 -7.038 1.083) 7.297 19.636 ( 0.319 19.036 0.510) 19.045 21.092 ( 2.725 -23.706 1.310) 23.898 22.783 ( -1.673 17.512 -0.091) 17.592 23.761 ( 0.795 -13.026 -0.239) 13.052 24.956 ( -1.009 6.388 0.392) 6.479 25.392 ( 0.624 -5.780 -0.107) 5.814 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 3.146 0.000) 3.146 1.742 ( 0.000 4.173 0.000) 4.173 1.834 ( 0.000 14.323 0.000) 14.323 2.031 ( 0.000 -3.790 0.000) 3.790 2.307 ( 0.000 6.715 0.000) 6.715 2.485 ( 0.000 -11.223 0.000) 11.223 2.716 ( 0.000 2.535 0.000) 2.535 2.884 ( 0.000 -13.492 0.000) 13.492 3.023 ( 0.000 6.418 0.000) 6.418 3.141 ( 0.000 -7.448 0.000) 7.448 3.181 ( 0.000 0.264 0.000) 0.264 3.241 ( 0.000 -1.891 0.000) 1.891 3.482 ( 0.000 4.636 0.000) 4.636 3.682 ( 0.000 -13.330 0.000) 13.330 4.169 ( 0.000 18.924 0.000) 18.924 4.276 ( 0.000 6.213 0.000) 6.213 4.478 ( 0.000 10.024 0.000) 10.024 4.663 ( 0.000 -7.066 0.000) 7.066 4.720 ( 0.000 2.917 0.000) 2.917 4.891 ( 0.000 -10.950 0.000) 10.950 5.558 ( 0.000 2.248 0.000) 2.248 5.575 ( 0.000 0.441 0.000) 0.441 6.170 ( 0.000 7.410 0.000) 7.410 6.213 ( 0.000 4.946 0.000) 4.946 6.364 ( 0.000 -3.711 0.000) 3.711 6.403 ( 0.000 -9.756 0.000) 9.756 6.680 ( 0.000 1.771 0.000) 1.771 6.681 ( 0.000 2.230 0.000) 2.230 7.856 ( 0.000 1.431 0.000) 1.431 7.919 ( 0.000 -5.038 0.000) 5.038 8.286 ( 0.000 5.441 0.000) 5.441 8.363 ( 0.000 -1.937 0.000) 1.937 8.759 ( 0.000 11.656 0.000) 11.656 9.004 ( 0.000 -8.244 0.000) 8.244 9.141 ( 0.000 2.903 0.000) 2.903 9.187 ( 0.000 1.629 0.000) 1.629 9.282 ( 0.000 -0.552 0.000) 0.552 9.299 ( 0.000 -3.550 0.000) 3.550 9.734 ( 0.000 5.045 0.000) 5.045 9.809 ( 0.000 -2.618 0.000) 2.618 10.082 ( 0.000 3.635 0.000) 3.635 10.197 ( 0.000 -6.122 0.000) 6.122 11.281 ( 0.000 6.397 0.000) 6.397 11.414 ( 0.000 -5.611 0.000) 5.611 11.710 ( 0.000 3.067 0.000) 3.067 11.728 ( 0.000 1.880 0.000) 1.880 12.101 ( 0.000 9.217 0.000) 9.217 12.245 ( 0.000 -4.658 0.000) 4.658 12.369 ( 0.000 10.894 0.000) 10.894 12.601 ( 0.000 -11.304 0.000) 11.304 12.838 ( 0.000 1.609 0.000) 1.609 12.883 ( 0.000 -1.906 0.000) 1.906 14.439 ( 0.000 2.814 0.000) 2.814 14.465 ( 0.000 0.103 0.000) 0.103 14.797 ( 0.000 7.414 0.000) 7.414 15.001 ( 0.000 -11.856 0.000) 11.856 15.711 ( 0.000 7.926 0.000) 7.926 15.763 ( 0.000 -1.722 0.000) 1.722 15.776 ( 0.000 0.720 0.000) 0.720 15.986 ( 0.000 -15.430 0.000) 15.430 16.699 ( 0.000 1.639 0.000) 1.639 16.748 ( 0.000 -2.630 0.000) 2.630 18.247 ( 0.000 5.099 0.000) 5.099 18.383 ( 0.000 -7.998 0.000) 7.998 18.772 ( 0.000 0.957 0.000) 0.957 18.772 ( 0.000 0.989 0.000) 0.989 20.055 ( 0.000 11.303 0.000) 11.303 20.308 ( 0.000 -13.318 0.000) 13.318 23.222 ( 0.000 12.279 0.000) 12.279 23.457 ( 0.000 -10.919 0.000) 10.919 25.141 ( 0.000 3.886 0.000) 3.886 25.228 ( 0.000 -4.561 0.000) 4.561 ======================= Grid point 29 (18/125) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.035 3.293 -0.797) 3.388 1.742 ( 0.225 2.819 -0.981) 2.994 1.876 ( 3.796 13.651 2.027) 14.313 2.077 ( 3.753 -5.221 1.652) 6.639 2.325 ( 1.724 7.205 -2.891) 7.952 2.503 ( 0.930 -10.313 -0.208) 10.357 2.698 ( -1.009 4.571 -0.192) 4.685 2.909 ( 1.683 -13.096 -4.608) 13.984 2.995 ( -1.156 3.488 2.253) 4.310 3.064 ( -3.630 -3.721 -2.071) 5.596 3.234 ( 2.831 -0.501 0.600) 2.937 3.290 ( 3.498 -2.225 1.210) 4.319 3.472 ( -0.259 5.246 -1.805) 5.554 3.687 ( 1.444 -13.450 -4.733) 14.331 4.172 ( 0.242 17.979 0.803) 17.999 4.341 ( 5.867 2.423 -2.122) 6.693 4.497 ( -0.179 8.911 4.778) 10.113 4.585 ( -6.212 -1.662 -0.165) 6.433 4.802 ( 8.760 0.480 1.846) 8.965 4.944 ( 5.091 -10.232 1.060) 11.477 5.533 ( -2.177 2.425 -1.153) 3.457 5.564 ( -1.112 -0.507 -0.449) 1.302 6.215 ( 3.764 7.827 1.843) 8.878 6.252 ( 3.172 5.580 1.584) 6.611 6.375 ( 2.015 -3.177 -2.670) 4.613 6.457 ( 3.698 -10.163 6.912) 12.835 6.690 ( 1.641 3.069 -1.050) 3.635 6.713 ( 3.953 0.509 -3.322) 5.189 7.830 ( -3.422 0.907 1.201) 3.739 7.865 ( -4.820 -3.051 0.991) 5.790 8.207 ( -6.766 7.980 -2.377) 10.729 8.374 ( -1.606 -7.393 -1.640) 7.741 8.751 ( -0.056 11.105 -0.921) 11.143 8.949 ( -2.534 -3.912 -5.967) 7.572 9.133 ( 1.403 2.424 -8.894) 9.324 9.166 ( 0.343 -2.477 0.219) 2.511 9.363 ( 3.118 -1.397 8.123) 8.813 9.376 ( 4.152 -1.356 9.000) 10.004 9.723 ( 0.577 3.837 1.093) 4.032 9.770 ( -2.798 -2.923 -0.184) 4.050 10.108 ( 4.669 9.210 -5.103) 11.518 10.301 ( 8.077 -8.786 -2.030) 12.106 11.251 ( -4.412 6.599 7.298) 10.783 11.373 ( -5.092 -4.195 7.557) 10.032 11.660 ( -4.792 2.912 -2.871) 6.300 11.690 ( -3.329 0.872 -1.586) 3.789 12.005 ( -8.194 9.120 -4.100) 12.928 12.125 ( -6.336 -2.016 -2.019) 6.949 12.482 ( 3.817 2.008 2.226) 4.854 12.581 ( -2.721 -6.739 1.440) 7.409 12.889 ( 6.838 4.493 -4.397) 9.288 12.971 ( 8.473 -3.107 -2.164) 9.281 14.105 ( -19.656 8.324 4.338) 21.782 14.302 ( -14.801 -9.038 2.766) 17.562 14.838 ( -14.620 0.900 -2.259) 14.821 14.938 ( -1.438 -7.066 -0.314) 7.218 15.769 ( 9.205 11.083 2.758) 14.669 15.861 ( 5.275 2.461 -6.440) 8.680 15.887 ( 12.673 0.259 -1.915) 12.819 16.148 ( 16.078 -17.288 1.515) 23.657 16.705 ( 0.250 1.463 2.201) 2.654 16.752 ( 0.356 -2.800 0.406) 2.851 18.213 ( -2.780 5.133 -3.743) 6.934 18.349 ( -2.281 -7.812 -5.233) 9.675 18.702 ( -6.454 3.224 2.478) 7.628 18.762 ( -3.401 -2.750 5.220) 6.810 20.041 ( -0.436 16.342 0.235) 16.349 20.389 ( 6.471 -17.814 2.438) 19.110 23.205 ( -1.655 13.438 -0.352) 13.544 23.463 ( 0.536 -11.996 -0.363) 12.014 25.130 ( -1.048 4.809 0.277) 4.930 25.234 ( 0.600 -5.324 -0.086) 5.358 ======================= Grid point 30 (19/125) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -0.407 3.683 1.394) 3.959 1.745 ( 0.366 1.891 -0.778) 2.077 1.973 ( 5.245 9.413 1.334) 10.858 2.141 ( 1.434 -7.134 1.388) 7.408 2.335 ( 0.675 7.768 -3.398) 8.506 2.485 ( -2.968 -6.626 0.131) 7.261 2.684 ( -0.204 6.596 -1.912) 6.871 2.910 ( 2.017 -8.312 -7.117) 11.126 2.991 ( 0.258 -0.673 -0.921) 1.169 3.056 ( 1.285 -5.255 0.685) 5.453 3.266 ( -0.596 1.831 2.772) 3.375 3.350 ( 1.560 -4.743 2.338) 5.513 3.503 ( 6.403 7.738 -4.558) 11.030 3.725 ( 4.986 -12.654 -5.607) 14.712 4.180 ( -0.224 13.435 2.119) 13.603 4.342 ( -7.959 1.445 -4.774) 9.393 4.475 ( 2.372 6.185 2.126) 6.957 4.556 ( -0.992 -1.561 6.385) 6.647 5.032 ( 13.399 0.124 2.879) 13.706 5.094 ( 9.872 -5.692 1.362) 11.477 5.481 ( -2.602 2.772 -1.550) 4.106 5.537 ( -1.307 -2.779 -0.147) 3.075 6.285 ( 2.929 6.525 -2.284) 7.508 6.314 ( 1.515 6.131 4.055) 7.505 6.430 ( 4.523 -0.883 -0.594) 4.647 6.543 ( 1.593 -8.038 9.030) 12.194 6.747 ( 5.264 4.459 -1.579) 7.078 6.814 ( 8.101 -2.558 -4.966) 9.840 7.712 ( -8.166 3.673 -0.819) 8.991 7.790 ( -4.509 -4.404 2.381) 6.737 8.032 ( -9.993 8.283 -1.977) 13.129 8.238 ( -10.716 -10.747 -4.591) 15.855 8.772 ( 2.417 9.404 -1.905) 9.895 8.931 ( 2.576 -3.347 -3.307) 5.364 9.162 ( 4.383 3.542 -6.885) 8.897 9.193 ( 1.958 -2.181 -0.568) 2.986 9.371 ( -3.780 0.303 6.206) 7.273 9.435 ( -2.787 -6.144 8.277) 10.678 9.768 ( 4.493 6.916 0.875) 8.293 9.837 ( 8.888 -0.949 2.221) 9.211 10.193 ( 6.036 9.865 -8.233) 14.196 10.412 ( 4.153 -10.295 -5.999) 12.619 11.169 ( -6.642 9.053 9.482) 14.697 11.318 ( -3.426 -4.069 12.978) 14.026 11.538 ( -5.818 4.387 -2.452) 7.688 11.608 ( -5.709 -0.899 0.294) 5.787 11.850 ( -5.007 8.803 -4.188) 10.959 12.005 ( -4.640 -6.609 -3.435) 8.775 12.438 ( -7.852 -0.591 -2.130) 8.157 12.468 ( -9.951 -2.367 -0.556) 10.244 13.074 ( 13.132 6.628 -0.022) 14.710 13.180 ( 14.559 -3.518 -2.593) 15.200 13.869 ( -8.189 7.153 6.049) 12.442 14.093 ( -8.224 -13.349 5.523) 16.623 14.494 ( -17.903 8.274 -3.952) 20.115 14.735 ( -15.311 -14.330 -2.476) 21.116 15.897 ( 1.863 2.831 -6.152) 7.024 15.941 ( 4.874 -0.351 -1.517) 5.116 16.215 ( 20.939 13.128 0.573) 24.720 16.497 ( 16.781 -12.007 1.802) 20.712 16.722 ( 0.522 0.525 2.802) 2.898 16.766 ( 1.117 -4.227 1.261) 4.550 18.130 ( -3.988 5.177 -5.340) 8.439 18.278 ( -3.114 -8.928 -5.094) 10.740 18.564 ( -8.416 5.843 3.465) 10.815 18.691 ( -5.310 -6.522 4.854) 9.711 20.053 ( 1.216 21.923 0.969) 21.978 20.514 ( 5.176 -23.253 2.269) 23.930 23.167 ( -1.946 15.721 -0.465) 15.848 23.470 ( 0.338 -14.085 -0.464) 14.097 25.111 ( -0.997 6.485 0.317) 6.569 25.246 ( 0.596 -6.686 -0.056) 6.712 ======================= Grid point 31 (20/125) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -0.426 4.532 1.275) 4.727 1.749 ( 0.153 1.608 -0.275) 1.639 2.065 ( 4.073 3.597 0.229) 5.438 2.130 ( -2.475 -2.268 0.454) 3.387 2.341 ( 0.796 2.385 -1.486) 2.921 2.421 ( -2.638 -3.795 0.033) 4.622 2.684 ( 0.502 9.267 -0.914) 9.326 2.938 ( 1.777 -11.593 -2.239) 11.941 3.011 ( 2.333 0.548 -3.130) 3.942 3.053 ( -1.637 -5.288 -0.145) 5.537 3.242 ( -1.883 5.677 2.897) 6.646 3.365 ( 0.026 -6.048 0.762) 6.095 3.670 ( 9.844 5.210 -2.376) 11.388 3.803 ( 2.376 -7.343 -2.218) 8.030 4.134 ( -5.670 8.509 1.037) 10.277 4.210 ( -1.879 3.959 -0.613) 4.425 4.484 ( -1.445 5.736 0.715) 5.958 4.577 ( 1.114 -5.647 2.310) 6.202 5.239 ( 5.860 -0.124 0.504) 5.883 5.277 ( 7.136 -2.356 2.378) 7.882 5.432 ( -1.915 4.164 -1.358) 4.780 5.523 ( -0.244 -5.582 0.155) 5.590 6.308 ( 0.819 5.880 -2.618) 6.489 6.326 ( -0.726 5.042 2.127) 5.520 6.518 ( 3.910 -0.619 -0.039) 3.959 6.569 ( -1.245 -4.046 4.989) 6.543 6.874 ( 7.184 4.321 0.435) 8.395 6.935 ( 3.790 -1.647 -3.196) 5.224 7.567 ( -4.809 5.440 -1.255) 7.369 7.682 ( -6.605 -4.403 0.252) 7.942 7.908 ( -1.274 1.281 1.284) 2.217 8.022 ( -8.450 -9.035 -3.320) 12.808 8.810 ( 1.762 8.910 -1.501) 9.206 8.985 ( 2.425 -5.350 -0.668) 5.912 9.220 ( 1.078 0.078 -0.894) 1.402 9.230 ( 4.201 2.768 -4.039) 6.452 9.300 ( -4.765 1.279 4.223) 6.494 9.389 ( -2.340 -6.521 2.755) 7.456 9.846 ( 1.957 13.751 1.300) 13.950 10.014 ( 6.300 -3.307 2.614) 7.580 10.265 ( 3.357 5.547 -5.057) 8.223 10.425 ( 0.412 -9.492 -5.038) 10.754 11.107 ( -1.918 12.150 4.316) 13.036 11.317 ( -0.860 -7.917 5.615) 9.744 11.445 ( -4.304 4.372 0.451) 6.152 11.477 ( -5.308 2.246 1.973) 6.092 11.820 ( 1.467 8.933 -1.677) 9.206 11.990 ( 3.949 -8.436 -0.188) 9.317 12.248 ( -9.535 -1.606 -3.388) 10.246 12.263 ( -7.752 -2.395 -1.283) 8.214 13.335 ( 11.726 8.093 2.374) 14.444 13.458 ( 12.560 -3.625 -0.676) 13.090 13.747 ( -6.972 7.040 1.372) 10.003 13.960 ( -8.549 -13.460 1.927) 16.062 14.253 ( -4.794 6.836 -0.989) 8.408 14.478 ( -8.412 -14.779 -1.737) 17.094 15.895 ( 0.119 4.341 -2.491) 5.007 15.987 ( 1.126 -4.706 -1.225) 4.992 16.543 ( 11.228 13.301 -0.810) 17.425 16.677 ( 1.309 1.815 2.449) 3.317 16.742 ( 1.018 -2.113 0.777) 2.471 16.831 ( 4.150 -10.004 0.865) 10.866 18.048 ( -2.404 4.532 -2.708) 5.801 18.212 ( -1.958 -11.022 -1.927) 11.359 18.447 ( -3.977 8.361 1.654) 9.405 18.623 ( -2.448 -8.671 1.764) 9.181 20.077 ( 0.702 24.005 0.523) 24.021 20.586 ( 1.774 -25.737 0.871) 25.812 23.138 ( -0.843 17.322 -0.215) 17.343 23.472 ( 0.061 -15.516 -0.211) 15.518 25.098 ( -0.368 7.579 0.138) 7.589 25.254 ( 0.242 -7.575 -0.014) 7.579 ======================= Grid point 63 (21/125) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 14.058 0.000 25.715) 29.307 0.635 ( -3.085 0.000 33.539) 33.680 1.225 ( -4.045 0.000 62.603) 62.734 1.636 ( -3.240 0.000 -1.933) 3.773 1.801 ( -11.777 0.000 28.271) 30.626 2.237 ( 1.298 0.000 1.656) 2.105 2.772 ( 0.531 0.000 0.879) 1.027 2.788 ( -2.859 0.000 -8.058) 8.550 3.320 ( -11.873 0.000 8.908) 14.844 3.388 ( 2.377 0.000 -9.561) 9.852 3.466 ( 1.791 0.000 -3.090) 3.571 3.680 ( -3.582 0.000 -1.246) 3.793 3.933 ( 5.388 0.000 5.678) 7.828 3.994 ( 22.648 0.000 8.684) 24.255 4.219 ( -0.669 0.000 8.550) 8.576 4.348 ( -1.129 0.000 0.286) 1.165 4.528 ( -4.813 0.000 -4.298) 6.453 4.601 ( -2.657 0.000 -8.457) 8.865 4.798 ( -5.018 0.000 0.005) 5.018 5.347 ( 2.605 0.000 -5.804) 6.362 5.391 ( -11.459 0.000 12.804) 17.183 5.473 ( 5.266 0.000 -1.534) 5.485 5.547 ( 0.620 0.000 -7.259) 7.286 5.772 ( 3.699 0.000 -7.810) 8.641 6.218 ( -1.688 0.000 -1.899) 2.541 6.522 ( 0.975 0.000 1.803) 2.050 7.093 ( 26.180 0.000 3.660) 26.435 7.161 ( -0.174 0.000 1.935) 1.943 7.887 ( 4.349 0.000 -3.512) 5.590 8.042 ( 3.706 0.000 -1.891) 4.161 8.112 ( -2.190 0.000 -1.633) 2.731 8.144 ( 8.660 0.000 -0.970) 8.715 8.322 ( 0.205 0.000 -1.918) 1.929 8.407 ( 0.158 0.000 -1.470) 1.479 8.848 ( -5.223 0.000 8.289) 9.797 8.940 ( 5.765 0.000 9.794) 11.365 9.440 ( -0.296 0.000 -0.266) 0.398 9.571 ( -0.723 0.000 3.921) 3.987 9.625 ( 2.702 0.000 -1.476) 3.079 9.937 ( -1.954 0.000 -4.851) 5.230 10.321 ( 6.192 0.000 -9.160) 11.056 10.662 ( -22.923 0.000 7.552) 24.135 10.930 ( 11.450 0.000 -18.118) 21.433 11.166 ( -19.003 0.000 6.350) 20.035 11.430 ( -16.270 0.000 5.851) 17.290 11.510 ( 8.252 0.000 4.446) 9.374 11.566 ( 0.701 0.000 1.079) 1.287 12.132 ( 6.426 0.000 -0.286) 6.432 12.770 ( -76.037 0.000 6.483) 76.313 12.785 ( 5.681 0.000 -7.376) 9.310 13.013 ( -2.458 0.000 -0.581) 2.526 13.075 ( -3.577 0.000 6.106) 7.076 13.681 ( 1.063 0.000 -3.500) 3.658 13.799 ( -6.639 0.000 -4.890) 8.246 14.926 ( 6.050 0.000 5.208) 7.983 14.927 ( 34.850 0.000 1.497) 34.882 15.677 ( 3.870 0.000 1.104) 4.024 15.870 ( 4.440 0.000 7.472) 8.691 16.070 ( -3.940 0.000 -6.122) 7.280 16.735 ( 3.796 0.000 -1.300) 4.012 17.024 ( -5.106 0.000 6.190) 8.025 17.762 ( 2.359 0.000 2.150) 3.192 18.381 ( 3.580 0.000 -0.577) 3.626 18.524 ( -3.965 0.000 -6.036) 7.222 18.774 ( -8.451 0.000 3.589) 9.181 19.058 ( 8.137 0.000 11.679) 14.234 19.509 ( -29.458 0.000 -4.675) 29.826 21.512 ( 26.550 0.000 -31.278) 41.027 22.650 ( 14.130 0.000 28.746) 32.031 23.989 ( -0.692 0.000 3.398) 3.468 24.676 ( 3.016 0.000 -9.149) 9.633 25.361 ( 1.454 0.000 -11.089) 11.184 ======================= Grid point 64 (22/125) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -2.897 0.000 28.433) 28.580 1.008 ( 19.871 0.000 25.033) 31.960 1.479 ( 6.224 0.000 32.631) 33.219 1.669 ( 6.731 0.000 -1.859) 6.983 1.790 ( 6.706 0.000 38.044) 38.630 2.288 ( 3.587 0.000 3.031) 4.696 2.695 ( -2.532 0.000 -1.160) 2.785 2.788 ( 0.919 0.000 0.821) 1.233 3.177 ( -5.845 0.000 16.537) 17.540 3.458 ( -2.602 0.000 -0.772) 2.714 3.493 ( 7.194 0.000 -8.042) 10.790 3.609 ( -3.297 0.000 -5.678) 6.566 3.962 ( -3.687 0.000 7.109) 8.008 4.087 ( -3.462 0.000 6.330) 7.215 4.284 ( -3.980 0.000 -1.913) 4.416 4.330 ( -3.245 0.000 -10.912) 11.384 4.441 ( -7.192 0.000 -10.679) 12.875 4.505 ( 6.842 0.000 2.215) 7.191 4.870 ( 8.879 0.000 -1.149) 8.953 5.231 ( -11.440 0.000 20.461) 23.442 5.356 ( 0.974 0.000 -7.770) 7.831 5.467 ( 0.119 0.000 -0.356) 0.376 5.635 ( 5.931 0.000 -10.606) 12.151 5.880 ( 8.042 0.000 -0.759) 8.077 6.179 ( -1.723 0.000 1.451) 2.252 6.615 ( 7.941 0.000 1.343) 8.054 7.160 ( -1.009 0.000 2.688) 2.872 7.219 ( -9.374 0.000 11.596) 14.911 7.863 ( -6.131 0.000 -2.272) 6.539 8.006 ( -5.378 0.000 -1.527) 5.591 8.115 ( 1.623 0.000 -0.697) 1.766 8.116 ( -0.092 0.000 -2.397) 2.398 8.296 ( -1.966 0.000 -3.000) 3.587 8.459 ( -0.581 0.000 -5.007) 5.040 8.783 ( -8.187 0.000 3.759) 9.009 9.041 ( 2.485 0.000 5.841) 6.348 9.435 ( 0.008 0.000 -2.585) 2.585 9.562 ( -18.506 0.000 35.920) 40.407 9.677 ( 2.460 0.000 -0.170) 2.466 9.766 ( -4.516 0.000 10.268) 11.217 9.892 ( 0.206 0.000 -3.184) 3.191 10.322 ( -6.987 0.000 -6.167) 9.319 11.014 ( -3.739 0.000 -15.383) 15.831 11.113 ( -9.615 0.000 -3.261) 10.153 11.163 ( 2.259 0.000 7.390) 7.727 11.458 ( -6.740 0.000 6.864) 9.620 11.608 ( 2.210 0.000 3.291) 3.964 12.306 ( 10.572 0.000 1.831) 10.729 12.589 ( 12.859 0.000 -3.419) 13.305 12.803 ( -2.630 0.000 -4.683) 5.371 13.049 ( 4.040 0.000 0.641) 4.090 13.153 ( 9.355 0.000 6.667) 11.488 13.569 ( -11.840 0.000 -5.541) 13.072 13.771 ( 9.081 0.000 -2.926) 9.540 15.183 ( 16.518 0.000 6.579) 17.780 15.196 ( 0.316 0.000 -1.363) 1.399 15.803 ( 0.182 0.000 10.960) 10.961 15.912 ( -8.839 0.000 -9.405) 12.907 16.022 ( 12.623 0.000 -18.173) 22.127 16.791 ( 1.352 0.000 -1.435) 1.971 16.940 ( -4.841 0.000 1.653) 5.115 17.825 ( 2.586 0.000 5.279) 5.878 18.396 ( -5.064 0.000 -9.709) 10.950 18.448 ( -5.499 0.000 9.715) 11.163 18.605 ( -10.177 0.000 4.917) 11.303 18.789 ( -26.757 0.000 20.713) 33.837 19.278 ( 8.971 0.000 11.854) 14.866 21.678 ( 7.059 0.000 -28.479) 29.341 22.532 ( -18.673 0.000 29.518) 34.928 24.160 ( 8.204 0.000 -4.717) 9.463 24.689 ( 1.476 0.000 -8.445) 8.573 25.357 ( 2.176 0.000 -11.490) 11.694 ======================= Grid point 65 (23/125) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -0.696 0.000 21.425) 21.436 1.319 ( 2.793 0.000 25.848) 25.998 1.600 ( 5.228 0.000 18.063) 18.805 1.817 ( 7.148 0.000 2.598) 7.605 2.281 ( 21.318 0.000 32.025) 38.472 2.418 ( 9.899 0.000 2.220) 10.145 2.710 ( 5.271 0.000 0.670) 5.313 2.796 ( -0.860 0.000 -0.047) 0.861 3.151 ( -3.184 0.000 14.001) 14.359 3.336 ( -10.554 0.000 0.783) 10.583 3.491 ( -7.681 0.000 -5.333) 9.351 3.587 ( 4.538 0.000 -3.809) 5.925 3.824 ( -12.315 0.000 3.797) 12.887 4.033 ( -3.903 0.000 3.462) 5.217 4.229 ( 0.379 0.000 -3.317) 3.339 4.240 ( -1.190 0.000 -6.511) 6.619 4.348 ( 0.775 0.000 -9.015) 9.048 4.595 ( 1.665 0.000 6.064) 6.288 5.025 ( 7.231 0.000 -2.496) 7.650 5.116 ( -7.069 0.000 17.894) 19.240 5.347 ( 1.001 0.000 -7.563) 7.629 5.487 ( 1.423 0.000 -1.276) 1.912 5.683 ( 3.102 0.000 -9.839) 10.316 6.007 ( 5.224 0.000 -1.734) 5.505 6.178 ( -0.122 0.000 8.020) 8.021 6.801 ( 10.310 0.000 0.423) 10.319 6.985 ( -18.184 0.000 17.925) 25.534 7.129 ( -3.638 0.000 3.878) 5.317 7.746 ( -4.326 0.000 -6.248) 7.599 7.896 ( -4.702 0.000 -2.536) 5.342 8.124 ( -0.678 0.000 0.434) 0.805 8.131 ( 0.957 0.000 3.884) 4.000 8.248 ( -1.349 0.000 -3.390) 3.649 8.466 ( 3.029 0.000 -0.093) 3.030 8.617 ( -8.233 0.000 -2.266) 8.539 9.097 ( 1.681 0.000 6.794) 6.999 9.417 ( 0.178 0.000 -7.108) 7.110 9.453 ( -3.564 0.000 23.985) 24.249 9.704 ( 0.395 0.000 -0.126) 0.414 9.948 ( 5.346 0.000 1.299) 5.501 9.988 ( 15.181 0.000 -5.053) 16.000 10.133 ( -9.463 0.000 -7.791) 12.257 10.647 ( -20.237 0.000 -6.393) 21.223 11.131 ( -8.279 0.000 16.048) 18.057 11.138 ( 6.260 0.000 -15.342) 16.570 11.464 ( 3.951 0.000 3.694) 5.409 11.655 ( 0.897 0.000 6.581) 6.642 12.500 ( 9.111 0.000 -0.300) 9.116 12.706 ( -5.166 0.000 -5.485) 7.535 12.729 ( 4.337 0.000 -5.348) 6.885 13.169 ( 7.460 0.000 2.240) 7.789 13.205 ( -8.531 0.000 6.789) 10.903 13.570 ( 13.584 0.000 0.358) 13.588 13.982 ( 13.959 0.000 -3.302) 14.345 15.094 ( -11.021 0.000 5.141) 12.161 15.483 ( 6.464 0.000 5.840) 8.711 15.741 ( -6.990 0.000 3.273) 7.719 15.772 ( 4.820 0.000 -11.278) 12.265 16.191 ( 10.100 0.000 -6.317) 11.912 16.731 ( -7.704 0.000 -3.441) 8.437 16.858 ( -3.289 0.000 -5.480) 6.391 17.896 ( 3.460 0.000 6.003) 6.929 18.167 ( -19.727 0.000 27.958) 34.217 18.312 ( -1.337 0.000 -5.781) 5.934 18.425 ( -9.888 0.000 2.732) 10.258 18.751 ( 4.782 0.000 1.053) 4.896 19.444 ( 4.294 0.000 10.416) 11.266 21.681 ( 3.283 0.000 -23.398) 23.627 22.345 ( -11.213 0.000 24.022) 26.510 24.241 ( 2.896 0.000 -2.624) 3.908 24.675 ( 0.299 0.000 -9.295) 9.300 25.364 ( 2.680 0.000 -11.346) 11.659 ======================= Grid point 66 (24/125) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -0.799 0.000 18.655) 18.672 1.339 ( -5.970 0.000 19.838) 20.717 1.816 ( 6.724 0.000 26.839) 27.668 1.923 ( 2.333 0.000 7.577) 7.928 2.520 ( -1.044 0.000 6.771) 6.851 2.663 ( 14.279 0.000 -1.078) 14.319 2.745 ( -3.802 0.000 -3.096) 4.903 2.957 ( 11.394 0.000 6.072) 12.911 3.091 ( -14.138 0.000 1.476) 14.215 3.109 ( -9.869 0.000 13.794) 16.961 3.327 ( -0.766 0.000 -0.254) 0.807 3.587 ( -11.514 0.000 -0.801) 11.542 3.645 ( 2.297 0.000 0.663) 2.391 3.999 ( -0.626 0.000 2.484) 2.562 4.201 ( -1.446 0.000 -4.655) 4.875 4.294 ( 6.812 0.000 -2.947) 7.422 4.364 ( 2.205 0.000 -3.434) 4.081 4.646 ( 0.723 0.000 10.562) 10.587 5.105 ( 0.039 0.000 16.838) 16.838 5.120 ( 4.272 0.000 -3.999) 5.852 5.332 ( -0.677 0.000 -5.907) 5.946 5.493 ( -0.184 0.000 -3.003) 3.009 5.689 ( 1.140 0.000 -9.424) 9.492 6.058 ( 1.277 0.000 -6.005) 6.139 6.214 ( -0.250 0.000 12.337) 12.339 6.696 ( -16.814 0.000 8.843) 18.997 6.956 ( 4.922 0.000 0.061) 4.922 7.066 ( -3.683 0.000 5.153) 6.334 7.674 ( -1.066 0.000 -3.804) 3.951 7.833 ( -0.719 0.000 -3.831) 3.898 8.102 ( -1.308 0.000 0.471) 1.390 8.166 ( 1.027 0.000 1.772) 2.048 8.228 ( 0.069 0.000 -2.862) 2.863 8.456 ( -6.658 0.000 1.558) 6.838 8.563 ( 5.435 0.000 -0.025) 5.435 9.142 ( 0.146 0.000 6.181) 6.183 9.415 ( 2.827 0.000 -8.584) 9.037 9.469 ( -2.748 0.000 5.889) 6.498 9.685 ( -2.081 0.000 -2.122) 2.972 9.926 ( -7.200 0.000 -3.482) 7.998 10.060 ( 4.200 0.000 3.283) 5.331 10.270 ( 14.909 0.000 -3.123) 15.233 10.313 ( -10.472 0.000 -8.320) 13.375 11.021 ( -8.744 0.000 15.705) 17.975 11.217 ( 7.174 0.000 -11.884) 13.881 11.566 ( 4.150 0.000 7.666) 8.718 11.686 ( -0.294 0.000 9.176) 9.181 12.576 ( -6.245 0.000 -6.882) 9.293 12.646 ( 7.489 0.000 -4.271) 8.621 12.769 ( 2.391 0.000 -2.878) 3.742 13.089 ( -5.391 0.000 8.750) 10.278 13.317 ( 6.475 0.000 5.672) 8.608 13.802 ( 7.196 0.000 3.186) 7.869 14.252 ( 15.681 0.000 -5.187) 16.517 14.823 ( -19.484 0.000 7.267) 20.795 15.430 ( -4.247 0.000 -3.358) 5.415 15.640 ( -3.001 0.000 -1.600) 3.401 16.067 ( 20.918 0.000 -3.723) 21.247 16.381 ( 9.825 0.000 10.604) 14.456 16.478 ( -16.656 0.000 -5.144) 17.432 16.772 ( -2.695 0.000 -13.643) 13.907 17.985 ( -9.750 0.000 25.494) 27.295 18.007 ( 5.120 0.000 5.650) 7.625 18.205 ( -8.468 0.000 3.513) 9.168 18.355 ( 2.445 0.000 -3.039) 3.900 18.810 ( 0.855 0.000 -1.797) 1.990 19.503 ( -1.339 0.000 7.944) 8.056 21.649 ( 1.421 0.000 -22.052) 22.098 22.251 ( -6.839 0.000 18.857) 20.059 24.271 ( 1.210 0.000 -1.392) 1.844 24.645 ( 0.335 0.000 -10.960) 10.965 25.378 ( 2.602 0.000 -10.832) 11.140 ======================= Grid point 67 (25/125) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -5.924 0.000 19.856) 20.721 1.264 ( -9.701 0.000 22.141) 24.172 1.963 ( -1.031 0.000 9.075) 9.134 1.972 ( -1.641 0.000 32.623) 32.664 2.365 ( -19.307 0.000 0.003) 19.307 2.606 ( -11.635 0.000 -2.036) 11.812 2.764 ( -2.701 0.000 -8.083) 8.522 2.788 ( -15.133 0.000 10.688) 18.527 3.041 ( 11.077 0.000 3.018) 11.480 3.095 ( 3.100 0.000 -8.554) 9.099 3.412 ( -6.867 0.000 -0.114) 6.868 3.533 ( 11.058 0.000 10.895) 15.524 3.693 ( 2.642 0.000 2.642) 3.736 4.034 ( 3.961 0.000 1.564) 4.259 4.157 ( -1.997 0.000 -2.652) 3.320 4.354 ( -0.927 0.000 0.410) 1.014 4.454 ( 7.794 0.000 0.051) 7.794 4.672 ( -2.015 0.000 10.811) 10.997 5.162 ( 1.043 0.000 -2.290) 2.516 5.232 ( 6.511 0.000 19.450) 20.511 5.279 ( -2.296 0.000 -6.562) 6.951 5.461 ( -1.626 0.000 -4.721) 4.993 5.676 ( 1.401 0.000 -10.787) 10.878 6.005 ( -3.930 0.000 -8.560) 9.419 6.227 ( -4.111 0.000 14.460) 15.033 6.441 ( -10.615 0.000 -0.505) 10.627 6.936 ( -6.445 0.000 0.062) 6.446 7.079 ( 2.540 0.000 4.900) 5.519 7.681 ( 2.482 0.000 -1.367) 2.834 7.830 ( 1.395 0.000 -4.066) 4.298 8.096 ( 0.869 0.000 -0.513) 1.010 8.133 ( -5.427 0.000 -1.786) 5.713 8.226 ( 0.993 0.000 -2.508) 2.697 8.411 ( 2.617 0.000 1.097) 2.837 8.682 ( 5.314 0.000 7.679) 9.338 9.132 ( -3.294 0.000 4.760) 5.788 9.356 ( -7.721 0.000 -3.339) 8.412 9.463 ( 4.844 0.000 -8.213) 9.535 9.616 ( -4.222 0.000 -2.161) 4.743 9.858 ( 0.548 0.000 -5.843) 5.869 10.039 ( -4.280 0.000 -0.889) 4.371 10.304 ( 9.658 0.000 -6.813) 11.820 10.540 ( 12.589 0.000 6.708) 14.264 10.909 ( -8.081 0.000 13.062) 15.360 11.323 ( 7.234 0.000 -7.350) 10.313 11.655 ( 1.526 0.000 11.067) 11.171 11.715 ( -0.121 0.000 11.560) 11.561 12.423 ( -6.826 0.000 -10.484) 12.511 12.767 ( 6.622 0.000 -5.676) 8.721 12.819 ( 3.798 0.000 -1.175) 3.975 13.047 ( -2.444 0.000 9.324) 9.639 13.452 ( 5.307 0.000 10.894) 12.118 13.832 ( -4.388 0.000 4.148) 6.038 14.430 ( -16.761 0.000 3.945) 17.219 14.538 ( 9.942 0.000 -6.191) 11.712 15.380 ( -1.209 0.000 -4.680) 4.834 15.620 ( 0.676 0.000 0.318) 0.747 16.131 ( -14.927 0.000 -2.806) 15.189 16.419 ( 15.972 0.000 -5.687) 16.954 16.636 ( 5.577 0.000 18.490) 19.312 16.656 ( 1.940 0.000 -19.957) 20.051 17.954 ( -9.296 0.000 1.976) 9.504 17.961 ( -1.847 0.000 27.212) 27.274 18.252 ( 8.934 0.000 5.988) 10.755 18.422 ( 4.851 0.000 0.617) 4.890 18.762 ( -4.869 0.000 -4.164) 6.407 19.450 ( -6.588 0.000 5.336) 8.478 21.585 ( -0.327 0.000 -22.771) 22.773 22.206 ( -4.379 0.000 16.105) 16.689 24.279 ( 0.066 0.000 -1.269) 1.271 24.621 ( 1.440 0.000 -12.143) 12.228 25.386 ( 2.083 0.000 -10.394) 10.601 ======================= Grid point 68 (26/125) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -10.451 0.000 23.718) 25.919 1.101 ( -16.531 0.000 21.858) 27.405 1.818 ( -36.835 0.000 15.879) 40.112 1.933 ( -5.832 0.000 6.951) 9.074 1.976 ( -9.072 0.000 35.265) 36.413 2.354 ( -11.262 0.000 -1.215) 11.328 2.679 ( -0.768 0.000 3.698) 3.777 2.733 ( 1.398 0.000 -5.447) 5.624 3.142 ( 5.788 0.000 -10.271) 11.789 3.270 ( 10.538 0.000 0.007) 10.538 3.325 ( -3.198 0.000 6.592) 7.326 3.682 ( 2.307 0.000 5.531) 5.993 3.764 ( 3.097 0.000 4.821) 5.731 4.079 ( -3.556 0.000 -8.813) 9.503 4.161 ( 5.564 0.000 4.643) 7.247 4.323 ( -1.798 0.000 1.323) 2.232 4.585 ( 5.177 0.000 1.384) 5.359 4.648 ( -3.850 0.000 9.299) 10.064 5.119 ( -6.066 0.000 3.745) 7.129 5.232 ( 1.196 0.000 -11.281) 11.344 5.413 ( -1.228 0.000 -5.423) 5.560 5.448 ( 8.450 0.000 17.179) 19.145 5.665 ( 1.048 0.000 -11.241) 11.290 5.885 ( -4.822 0.000 -8.874) 10.100 6.153 ( -5.841 0.000 13.041) 14.289 6.323 ( -3.507 0.000 3.813) 5.181 6.762 ( -10.939 0.000 -0.186) 10.940 7.139 ( 1.532 0.000 3.752) 4.053 7.752 ( 5.121 0.000 0.640) 5.161 7.864 ( 4.017 0.000 -3.918) 5.611 7.990 ( -7.744 0.000 -1.466) 7.881 8.122 ( 1.875 0.000 -1.901) 2.670 8.258 ( 2.793 0.000 -1.403) 3.125 8.527 ( 7.653 0.000 0.765) 7.692 8.761 ( -1.995 0.000 7.683) 7.938 9.078 ( -3.852 0.000 6.105) 7.218 9.263 ( 1.926 0.000 1.155) 2.246 9.502 ( -0.972 0.000 -6.054) 6.131 9.552 ( 1.198 0.000 -1.374) 1.823 9.871 ( 3.319 0.000 -9.165) 9.748 9.984 ( -1.200 0.000 -1.634) 2.027 10.508 ( 14.128 0.000 -11.037) 17.928 10.704 ( -3.153 0.000 16.490) 16.789 10.880 ( 5.461 0.000 7.173) 9.015 11.435 ( 6.420 0.000 -3.057) 7.110 11.682 ( -3.290 0.000 12.595) 13.018 11.745 ( -2.335 0.000 14.098) 14.290 12.248 ( -7.484 0.000 -12.539) 14.602 12.796 ( -1.665 0.000 -6.968) 7.164 12.899 ( 4.635 0.000 -1.063) 4.755 13.093 ( 4.169 0.000 5.858) 7.190 13.616 ( 8.004 0.000 15.680) 17.605 13.747 ( -3.785 0.000 6.435) 7.466 14.098 ( -15.828 0.000 8.581) 18.004 14.719 ( 8.294 0.000 -15.733) 17.785 15.247 ( -12.051 0.000 -5.359) 13.189 15.654 ( 1.945 0.000 3.895) 4.354 15.996 ( 1.533 0.000 -0.475) 1.605 16.424 ( -11.407 0.000 -32.220) 34.180 16.621 ( 7.466 0.000 -6.017) 9.589 16.925 ( 9.074 0.000 19.740) 21.726 17.805 ( -6.029 0.000 -0.102) 6.030 18.152 ( 12.731 0.000 39.546) 41.544 18.445 ( 8.317 0.000 4.931) 9.669 18.539 ( 6.945 0.000 4.369) 8.205 18.614 ( -8.089 0.000 -4.327) 9.174 19.298 ( -10.823 0.000 3.496) 11.374 21.478 ( -2.769 0.000 -24.657) 24.812 22.192 ( -2.832 0.000 16.587) 16.827 24.261 ( -1.506 0.000 -2.581) 2.989 24.621 ( 2.868 0.000 -12.056) 12.393 25.385 ( 1.464 0.000 -10.284) 10.387 ======================= Grid point 69 (27/125) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -7.672 0.000 30.293) 31.250 0.719 ( -29.128 0.000 7.893) 30.178 1.297 ( -25.416 0.000 51.564) 57.488 1.780 ( -10.482 0.000 2.230) 10.717 1.908 ( -10.213 0.000 33.520) 35.042 2.234 ( -1.943 0.000 0.127) 1.947 2.751 ( 6.597 0.000 -0.609) 6.625 2.754 ( 1.511 0.000 -1.189) 1.922 3.244 ( 8.745 0.000 -12.919) 15.601 3.393 ( 7.632 0.000 27.018) 28.075 3.414 ( 5.194 0.000 -2.304) 5.682 3.686 ( -3.289 0.000 4.337) 5.443 3.807 ( -3.973 0.000 -2.035) 4.464 3.919 ( -5.782 0.000 -5.467) 7.957 4.239 ( -0.166 0.000 5.152) 5.155 4.324 ( 1.655 0.000 0.675) 1.788 4.602 ( -3.115 0.000 2.449) 3.962 4.635 ( 0.164 0.000 -2.136) 2.142 4.974 ( -10.076 0.000 1.752) 10.227 5.270 ( 6.452 0.000 -7.072) 9.573 5.392 ( 1.245 0.000 -4.419) 4.591 5.544 ( -3.971 0.000 -0.322) 3.984 5.624 ( -2.295 0.000 -8.578) 8.880 5.787 ( -1.679 0.000 -10.033) 10.173 6.226 ( 2.711 0.000 6.478) 7.023 6.400 ( 18.174 0.000 35.754) 40.108 6.578 ( -7.341 0.000 0.921) 7.399 7.158 ( -0.183 0.000 2.221) 2.229 7.854 ( 1.054 0.000 -2.154) 2.398 7.909 ( 4.561 0.000 9.037) 10.123 7.952 ( 6.020 0.000 -3.254) 6.843 8.139 ( 0.270 0.000 -1.912) 1.931 8.304 ( 2.177 0.000 -1.230) 2.501 8.558 ( -6.905 0.000 -5.499) 8.827 8.777 ( 5.872 0.000 8.012) 9.934 8.974 ( -8.743 0.000 7.620) 11.598 9.454 ( -1.389 0.000 -0.842) 1.625 9.480 ( 12.104 0.000 9.406) 15.329 9.591 ( 2.311 0.000 -3.289) 4.020 9.968 ( -0.240 0.000 -2.706) 2.716 9.974 ( 15.592 0.000 -6.141) 16.757 10.663 ( -2.624 0.000 11.236) 11.538 10.738 ( 14.562 0.000 -15.640) 21.369 11.074 ( 9.910 0.000 13.979) 17.135 11.525 ( 2.850 0.000 0.155) 2.854 11.602 ( -9.864 0.000 11.310) 15.007 11.674 ( -10.474 0.000 11.980) 15.913 12.103 ( -2.219 0.000 -8.747) 9.025 12.741 ( 0.513 0.000 -7.475) 7.493 12.968 ( 2.934 0.000 -1.914) 3.503 13.138 ( -2.603 0.000 4.690) 5.364 13.725 ( -3.278 0.000 -3.814) 5.029 13.791 ( 5.085 0.000 2.973) 5.890 14.137 ( 17.576 0.000 26.672) 31.942 14.530 ( -29.627 0.000 -40.092) 49.851 14.983 ( -11.374 0.000 -1.494) 11.472 15.707 ( 0.721 0.000 5.691) 5.737 15.978 ( -20.477 0.000 -25.290) 32.541 16.076 ( 4.263 0.000 -1.977) 4.699 16.686 ( 2.622 0.000 -4.106) 4.871 17.059 ( -0.414 0.000 11.158) 11.166 17.740 ( -0.782 0.000 -0.298) 0.837 18.403 ( -4.379 0.000 -3.181) 5.413 18.552 ( 2.038 0.000 0.118) 2.042 18.725 ( 9.442 0.000 7.425) 12.012 18.940 ( 49.938 0.000 51.436) 71.690 19.087 ( -11.664 0.000 4.123) 12.371 21.313 ( -4.281 0.000 -22.017) 22.429 22.245 ( 3.340 0.000 27.375) 27.578 24.179 ( -7.157 0.000 -5.795) 9.209 24.645 ( 3.615 0.000 -10.772) 11.362 25.374 ( 1.157 0.000 -10.551) 10.614 ======================= Grid point 70 (28/125) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 8.829 12.863 18.413) 24.134 0.947 ( -0.646 22.667 19.962) 30.211 1.626 ( -10.912 26.326 32.499) 43.224 1.768 ( -5.967 1.796 26.370) 27.096 1.802 ( 0.493 16.990 9.042) 19.253 2.247 ( 0.383 1.189 1.731) 2.135 2.660 ( 0.303 -6.478 -0.957) 6.555 2.799 ( -0.389 1.944 0.989) 2.216 3.274 ( -7.431 -3.682 10.953) 13.739 3.328 ( 6.940 -3.215 -10.193) 12.744 3.553 ( 1.116 3.527 2.345) 4.381 3.605 ( -5.450 -4.895 -2.789) 7.839 3.825 ( 8.219 -5.347 10.545) 14.400 3.867 ( 4.305 -8.100 6.712) 11.366 4.109 ( 1.581 -8.171 6.706) 10.688 4.314 ( -1.023 -13.291 0.850) 13.357 4.467 ( -4.333 0.513 -3.823) 5.801 4.677 ( -5.177 3.104 -7.654) 9.748 4.764 ( 2.315 -2.578 1.259) 3.687 5.237 ( -3.131 -5.577 5.051) 8.149 5.409 ( -3.698 1.515 1.245) 4.186 5.492 ( 6.900 0.279 2.669) 7.404 5.628 ( 0.139 6.834 -6.254) 9.264 5.812 ( 2.706 3.952 -7.858) 9.202 6.251 ( -2.674 3.659 -1.387) 4.739 6.528 ( 0.687 0.444 1.682) 1.870 6.727 ( 10.902 -12.479 23.611) 28.845 7.141 ( 1.958 -6.337 8.525) 10.801 7.820 ( -0.009 -3.638 2.447) 4.384 7.995 ( -0.095 4.541 0.391) 4.559 8.221 ( 5.618 10.543 -3.255) 12.382 8.273 ( 1.256 3.510 -3.929) 5.416 8.436 ( -3.640 3.955 0.520) 5.400 8.479 ( 5.167 6.139 -1.152) 8.106 8.784 ( -8.710 -4.862 3.113) 10.450 8.995 ( 2.907 4.900 10.516) 11.960 9.203 ( -2.300 -5.388 8.172) 10.055 9.601 ( -2.680 1.523 2.157) 3.762 9.646 ( 2.594 1.606 -1.374) 3.346 9.912 ( -2.742 -2.937 -1.950) 4.467 10.320 ( 0.644 -0.367 -4.483) 4.544 10.573 ( 2.614 -10.328 0.022) 10.653 10.993 ( 4.685 4.719 -9.417) 11.529 11.254 ( -11.041 7.301 4.800) 14.080 11.410 ( -3.264 0.213 3.256) 4.616 11.556 ( -0.403 3.330 1.099) 3.530 11.593 ( -6.128 3.437 5.879) 9.161 12.121 ( 0.229 -0.931 -0.016) 0.959 12.230 ( -5.420 -7.472 14.597) 17.270 12.811 ( -7.260 -1.529 -6.849) 10.097 12.993 ( 1.240 -1.829 -0.569) 2.282 13.312 ( -10.162 -9.284 -3.866) 14.297 13.938 ( -0.370 13.710 -1.860) 13.841 14.172 ( -22.338 23.670 -16.693) 36.578 14.868 ( 6.940 -3.580 4.200) 8.867 15.034 ( 25.219 7.816 -7.186) 27.363 15.638 ( -0.573 -3.824 2.463) 4.584 15.834 ( -1.451 -2.470 2.411) 3.744 16.101 ( -0.177 0.664 -1.848) 1.971 16.613 ( 4.190 -8.757 -1.801) 9.874 17.036 ( -5.318 -0.902 5.365) 7.608 17.429 ( -0.069 -19.964 23.991) 31.211 18.322 ( 2.569 -5.295 -1.369) 6.043 18.522 ( -2.825 0.258 -6.843) 7.407 18.742 ( -7.156 -2.094 4.497) 8.707 19.031 ( 7.710 -2.522 12.349) 14.775 19.562 ( -15.813 3.443 -8.186) 18.136 21.136 ( 21.913 -22.938 -12.336) 34.037 22.572 ( 1.824 4.980 26.782) 27.302 23.954 ( -1.549 -3.418 3.374) 5.047 24.824 ( 4.213 5.889 -15.240) 16.873 25.341 ( 1.349 -1.931 -11.333) 11.575 ======================= Grid point 71 (29/125) ======================= q-point: ( 0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.852 22.383 14.664) 26.822 1.097 ( 24.866 6.805 16.698) 30.716 1.559 ( -5.533 10.194 20.807) 23.821 1.734 ( 0.135 2.536 18.420) 18.594 2.020 ( 10.698 23.661 20.592) 33.141 2.294 ( 4.156 -0.019 4.735) 6.300 2.646 ( 0.209 -2.117 -1.715) 2.732 2.800 ( -0.312 0.883 2.563) 2.729 3.201 ( -4.607 1.370 13.118) 13.971 3.418 ( 4.119 -4.236 -5.964) 8.395 3.489 ( -5.115 -6.355 -4.561) 9.347 3.571 ( 0.184 2.717 -0.259) 2.736 3.861 ( -3.355 -9.151 6.099) 11.498 3.969 ( 1.013 -9.592 5.014) 10.871 4.139 ( -4.090 -5.684 -2.454) 7.420 4.280 ( -3.942 -10.118 3.329) 11.358 4.437 ( 5.807 -0.933 -4.054) 7.143 4.522 ( -4.116 3.951 -5.244) 7.750 4.928 ( 9.925 1.696 -1.750) 10.219 5.151 ( -7.552 -4.771 11.561) 14.610 5.370 ( -0.720 1.486 -1.330) 2.120 5.570 ( 1.489 7.992 -1.566) 8.279 5.682 ( 5.826 4.049 -9.319) 11.712 5.881 ( 6.302 -0.213 -1.966) 6.605 6.217 ( -0.492 4.050 2.009) 4.547 6.609 ( 7.088 -0.517 1.078) 7.188 6.936 ( 3.244 -13.199 18.106) 22.640 7.172 ( -3.319 -5.921 9.028) 11.295 7.789 ( -4.691 -6.159 0.386) 7.752 7.942 ( -3.280 3.773 -1.741) 5.294 8.244 ( -2.027 2.698 -5.371) 6.343 8.293 ( 1.359 13.760 -2.333) 14.022 8.328 ( -5.601 8.268 4.187) 10.829 8.564 ( -0.679 7.869 -3.545) 8.658 8.698 ( -0.040 -11.901 8.605) 14.686 9.062 ( 1.717 2.311 6.061) 6.710 9.199 ( -1.762 -0.778 5.416) 5.748 9.593 ( 3.759 -3.140 4.590) 6.713 9.642 ( -5.304 1.683 4.769) 7.329 9.847 ( -0.216 -0.044 -3.907) 3.914 10.173 ( -9.381 6.917 -4.577) 12.522 10.508 ( -8.686 16.138 4.845) 18.957 10.911 ( -2.605 -4.244 -15.130) 15.929 11.109 ( -12.681 1.015 3.106) 13.096 11.236 ( -1.455 6.434 3.274) 7.364 11.504 ( -4.600 3.069 3.506) 6.548 11.630 ( 1.924 1.720 4.538) 5.221 12.151 ( 7.719 -8.557 4.586) 12.403 12.473 ( 11.333 -1.623 -2.104) 11.640 12.825 ( 11.500 -4.909 -3.471) 12.977 12.988 ( -1.196 -3.546 0.997) 3.873 13.166 ( -4.228 -3.018 -1.240) 5.341 13.758 ( -14.039 14.121 -6.450) 20.931 13.960 ( 2.784 14.131 -1.577) 14.489 15.166 ( 17.642 -0.691 5.528) 18.501 15.240 ( 0.283 3.822 -0.382) 3.851 15.659 ( -1.441 -16.088 -7.576) 17.841 15.807 ( -2.406 -0.466 8.463) 8.811 16.095 ( 3.757 0.020 -11.600) 12.193 16.691 ( 3.247 -6.620 -1.254) 7.479 16.954 ( -4.578 -0.600 1.920) 5.001 17.510 ( -0.514 -19.364 22.156) 29.430 18.301 ( -4.348 -6.239 -5.656) 9.477 18.515 ( 4.156 1.352 -0.945) 4.471 18.595 ( -9.503 -0.263 4.653) 10.584 19.025 ( -25.772 13.627 2.005) 29.222 19.251 ( 7.865 -1.416 11.995) 14.414 21.467 ( 14.598 -18.042 -20.710) 31.105 22.555 ( -10.729 5.415 24.730) 27.496 24.038 ( 6.553 -7.729 0.420) 10.142 24.794 ( -1.354 5.679 -11.290) 12.710 25.345 ( 2.948 -1.363 -11.922) 12.356 ======================= Grid point 72 (30/125) ======================= q-point: ( 0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 1.460 24.675 10.600) 26.895 1.453 ( -1.431 12.076 22.189) 25.302 1.605 ( 10.261 1.464 15.631) 18.755 1.907 ( 9.662 4.003 10.784) 15.022 2.250 ( 7.687 2.758 11.903) 14.436 2.460 ( 8.954 2.033 8.147) 12.275 2.668 ( 2.114 -3.081 -2.727) 4.626 2.841 ( 5.484 3.935 6.767) 9.558 3.163 ( -4.041 -0.240 10.580) 11.328 3.326 ( -9.217 -0.379 -0.538) 9.240 3.429 ( -4.103 -5.803 -5.262) 8.843 3.583 ( 1.879 -0.449 -0.658) 2.041 3.762 ( -8.998 -5.034 6.389) 12.130 3.964 ( -3.637 -3.811 2.267) 5.735 4.039 ( -2.131 -7.976 -5.319) 9.821 4.215 ( -2.075 -7.628 2.206) 8.207 4.468 ( 2.925 5.478 -5.778) 8.483 4.615 ( 8.227 2.129 1.969) 8.723 4.999 ( -3.267 -2.094 7.567) 8.504 5.144 ( 4.364 2.623 3.252) 6.041 5.346 ( -1.600 -0.071 -2.396) 2.882 5.587 ( 1.083 8.986 -2.797) 9.474 5.729 ( 3.230 4.978 -11.207) 12.681 5.994 ( 5.445 -2.189 -1.946) 6.183 6.247 ( 1.584 5.957 7.595) 9.782 6.774 ( 8.743 -2.183 1.798) 9.189 6.929 ( -10.821 -4.903 17.986) 21.555 7.114 ( -3.941 -1.836 4.210) 6.052 7.682 ( -3.793 -5.144 -3.720) 7.395 7.878 ( -3.604 -0.149 -1.071) 3.763 8.155 ( -4.065 -1.556 -4.058) 5.951 8.250 ( -2.461 6.629 1.712) 7.276 8.307 ( -0.851 15.620 0.471) 15.650 8.564 ( 1.028 7.826 5.638) 9.700 8.694 ( -2.011 1.385 -3.391) 4.179 9.127 ( 2.810 2.784 5.757) 6.985 9.214 ( 2.803 -6.149 3.182) 7.470 9.505 ( -5.577 0.015 -1.071) 5.679 9.762 ( 3.131 -1.546 15.298) 15.692 9.883 ( 4.605 2.601 -7.457) 9.142 10.050 ( 1.411 -0.779 -12.914) 13.014 10.398 ( -4.727 23.683 2.642) 24.294 10.657 ( -15.577 0.228 -7.269) 17.191 11.012 ( -0.522 -6.239 -2.647) 6.797 11.234 ( -1.699 5.658 5.279) 7.923 11.488 ( 1.803 1.490 2.528) 3.444 11.661 ( -0.560 0.470 7.632) 7.667 12.321 ( 7.444 -12.794 2.976) 15.098 12.553 ( 2.396 -4.550 -9.756) 11.028 12.838 ( -6.072 0.171 -1.565) 6.273 13.112 ( -2.468 -4.614 6.078) 8.020 13.237 ( 17.120 -1.423 3.594) 17.551 13.581 ( -0.651 5.554 -3.318) 6.502 14.085 ( 9.543 6.469 -1.168) 11.588 15.085 ( -14.168 -2.083 5.486) 15.335 15.440 ( -1.962 -5.239 1.500) 5.792 15.605 ( 5.370 -5.759 -6.966) 10.513 15.804 ( 5.789 -0.620 2.870) 6.491 16.197 ( 8.696 -0.422 -4.654) 9.873 16.681 ( -4.745 -3.483 -2.373) 6.346 16.870 ( -3.914 0.285 -4.970) 6.333 17.550 ( -2.290 -18.749 21.459) 28.587 18.217 ( -3.271 -4.692 -0.345) 5.730 18.391 ( -11.001 2.062 2.685) 11.510 18.536 ( -4.611 10.313 1.846) 11.447 18.781 ( -0.827 4.203 -0.125) 4.285 19.408 ( 4.056 -2.908 10.570) 11.689 21.579 ( 6.183 -10.118 -21.091) 24.196 22.428 ( -9.831 8.001 20.548) 24.143 24.138 ( 4.031 -8.158 -0.789) 9.134 24.728 ( -1.589 3.808 -9.834) 10.664 25.364 ( 3.218 -0.418 -11.805) 12.243 ======================= Grid point 73 (31/125) ======================= q-point: ( 0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.931 26.097 10.393) 28.106 1.415 ( -6.761 7.146 19.455) 21.801 1.856 ( 6.319 4.153 25.866) 26.949 2.046 ( 1.057 8.354 6.880) 10.874 2.403 ( 2.513 -8.517 4.733) 10.062 2.605 ( 6.170 -3.209 -2.082) 7.260 2.665 ( 0.830 -5.072 -2.088) 5.548 3.017 ( -0.428 -0.854 2.457) 2.636 3.126 ( -4.615 6.652 10.205) 13.026 3.166 ( -2.653 -0.011 4.234) 4.996 3.321 ( -0.835 1.401 -1.106) 1.970 3.534 ( -9.989 -3.824 2.404) 10.963 3.655 ( 0.110 1.794 -0.585) 1.890 3.909 ( -1.831 -3.798 4.558) 6.209 4.024 ( 1.249 -8.606 -3.108) 9.235 4.219 ( 0.339 -9.372 6.253) 11.271 4.530 ( 4.422 7.025 -4.281) 9.340 4.759 ( 5.587 7.445 3.087) 9.807 4.984 ( -0.840 -3.708 9.481) 10.215 5.223 ( 2.553 4.520 2.050) 5.581 5.287 ( -3.326 -3.269 -2.869) 5.476 5.587 ( 0.247 8.471 -4.696) 9.689 5.743 ( 2.352 5.914 -10.189) 12.013 6.048 ( 0.970 -2.102 -5.576) 6.038 6.312 ( 1.344 8.105 11.061) 13.778 6.710 ( -15.026 1.090 10.675) 18.464 6.918 ( 4.011 -3.488 0.522) 5.341 7.047 ( -3.287 -1.444 5.031) 6.181 7.660 ( 2.174 -2.595 -3.110) 4.597 7.800 ( -3.780 -1.920 -1.363) 4.453 8.087 ( -2.094 -5.135 -4.218) 6.968 8.245 ( 1.537 2.865 2.252) 3.955 8.282 ( -1.396 16.327 -0.141) 16.387 8.567 ( -4.771 8.779 5.114) 11.224 8.683 ( 4.076 7.698 -1.918) 8.919 9.185 ( 0.656 3.872 5.581) 6.824 9.298 ( 4.582 -8.008 -2.079) 9.458 9.445 ( -0.577 -1.195 -2.524) 2.852 9.669 ( -10.525 -0.054 0.919) 10.565 9.944 ( 2.729 0.886 -6.170) 6.804 10.148 ( 3.477 -3.827 -8.315) 9.791 10.352 ( 2.810 21.029 5.041) 21.807 10.450 ( -1.941 7.900 -5.826) 10.006 10.982 ( -4.312 -3.761 9.628) 11.200 11.240 ( 3.034 2.584 -5.333) 6.657 11.559 ( 3.281 -0.979 7.860) 8.573 11.661 ( -2.293 -2.375 9.003) 9.589 12.411 ( -0.009 -12.401 0.451) 12.410 12.554 ( 3.140 -6.824 -9.579) 12.173 12.765 ( -0.108 -3.193 -0.536) 3.239 13.069 ( -4.413 0.467 8.201) 9.324 13.426 ( 4.397 7.034 3.844) 9.143 13.725 ( 9.848 -5.913 2.339) 11.722 14.278 ( 11.631 1.233 -3.932) 12.340 14.765 ( -20.502 -6.169 5.122) 22.014 15.323 ( -4.507 -9.007 -4.710) 11.119 15.636 ( 1.419 0.373 1.079) 1.822 16.110 ( 19.631 2.153 -4.171) 20.184 16.339 ( 1.356 -3.348 5.454) 6.541 16.499 ( -8.516 2.141 1.040) 8.842 16.775 ( -3.253 0.206 -12.281) 12.706 17.597 ( -0.772 -18.377 21.967) 28.651 18.101 ( -9.396 0.753 6.700) 11.565 18.311 ( 2.266 -3.553 -3.311) 5.359 18.476 ( -1.053 14.932 2.902) 15.247 18.796 ( 0.262 -0.945 -2.352) 2.548 19.465 ( -1.459 -3.230 8.109) 8.850 21.585 ( 2.313 -7.019 -21.363) 22.605 22.338 ( -6.382 8.399 17.203) 20.180 24.189 ( 1.725 -7.261 -0.495) 7.480 24.673 ( -0.427 2.502 -10.938) 11.229 25.383 ( 2.824 0.056 -11.304) 11.651 ======================= Grid point 74 (32/125) ======================= q-point: (-0.43 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -4.315 25.435 9.277) 27.416 1.362 ( -6.196 10.200 22.623) 25.578 1.963 ( -8.613 -2.590 16.422) 18.724 2.018 ( -3.536 4.495 19.260) 20.091 2.361 ( -6.053 2.552 1.286) 6.694 2.536 ( -8.178 -4.308 -0.371) 9.251 2.785 ( -1.382 -1.164 3.052) 3.547 2.867 ( -6.790 1.476 -1.075) 7.031 3.019 ( -1.390 6.337 -2.427) 6.926 3.164 ( 2.261 2.118 -5.385) 6.213 3.388 ( -3.905 -1.384 4.063) 5.803 3.496 ( 8.520 -1.944 10.089) 13.348 3.678 ( 2.111 -1.492 -0.581) 2.650 3.934 ( 2.885 -5.795 4.259) 7.749 4.046 ( 0.828 -6.462 -0.082) 6.515 4.249 ( -0.033 -8.982 8.064) 12.071 4.582 ( 2.047 4.647 -2.018) 5.464 4.810 ( -2.057 11.263 3.864) 12.084 5.005 ( -1.621 -9.669 10.542) 14.396 5.213 ( -0.450 -3.987 -6.975) 8.047 5.286 ( 1.736 2.914 4.942) 5.994 5.574 ( 0.743 8.594 -6.099) 10.564 5.754 ( 2.167 6.812 -9.178) 11.633 5.989 ( -4.102 -2.240 -8.385) 9.600 6.333 ( -4.758 9.253 14.317) 17.699 6.484 ( -9.212 3.644 2.088) 10.125 6.902 ( -5.019 -3.574 0.527) 6.184 7.080 ( 3.116 0.154 5.517) 6.338 7.714 ( 3.907 1.686 -1.215) 4.426 7.739 ( -1.872 -5.655 -1.357) 6.109 8.049 ( -0.002 -6.405 -3.480) 7.290 8.267 ( 0.231 15.119 -2.314) 15.297 8.316 ( 3.957 5.559 1.573) 7.003 8.481 ( -3.178 8.002 -0.231) 8.613 8.775 ( 3.511 6.239 6.437) 9.628 9.175 ( -2.974 4.360 4.412) 6.879 9.344 ( 0.811 -5.951 -3.890) 7.156 9.397 ( -5.817 -1.282 -3.786) 7.058 9.527 ( -1.006 -1.086 -1.022) 1.799 9.963 ( 1.019 0.639 -4.656) 4.809 10.116 ( 0.992 8.903 -10.896) 14.106 10.389 ( 4.133 7.821 -6.620) 11.049 10.624 ( 11.715 8.352 9.678) 17.340 10.910 ( -6.736 -0.123 11.355) 13.203 11.315 ( 6.606 -0.450 -5.921) 8.882 11.636 ( -0.498 -2.617 11.431) 11.737 11.660 ( 0.511 -4.484 10.478) 11.408 12.338 ( -5.236 -6.319 -4.403) 9.313 12.633 ( 6.564 -10.239 -6.149) 13.628 12.810 ( 4.002 -3.672 -2.437) 5.954 13.008 ( -4.444 -1.462 9.740) 10.805 13.506 ( 0.974 3.267 6.977) 7.766 13.822 ( 0.738 -0.538 6.598) 6.661 14.358 ( -15.998 -6.793 0.792) 17.398 14.538 ( 10.472 -0.736 -5.859) 12.022 15.289 ( 2.031 -7.569 -4.114) 8.851 15.687 ( 1.662 4.784 1.551) 5.296 16.072 ( -17.200 -4.435 -2.644) 17.958 16.389 ( 10.522 -2.512 -3.716) 11.438 16.650 ( -5.022 0.139 -16.764) 17.501 16.665 ( 12.692 1.430 15.852) 20.357 17.608 ( -7.864 -16.797 22.832) 29.416 18.032 ( 2.636 1.510 3.150) 4.377 18.383 ( 5.234 -3.539 0.634) 6.350 18.524 ( 4.481 13.742 4.573) 15.160 18.751 ( -3.390 0.314 -4.406) 5.568 19.410 ( -6.750 -3.363 5.598) 9.392 21.526 ( -0.737 -6.703 -22.819) 23.795 22.302 ( -3.347 9.372 15.537) 18.451 24.201 ( -0.442 -7.080 -0.040) 7.094 24.645 ( 1.796 2.359 -12.328) 12.679 25.391 ( 2.043 0.003 -10.936) 11.125 ======================= Grid point 75 (33/125) ======================= q-point: (-0.29 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -8.963 21.797 11.240) 26.111 1.272 ( -14.145 15.325 13.348) 24.761 1.718 ( -16.400 -0.300 15.873) 22.826 1.996 ( -10.346 3.439 34.487) 36.170 2.211 ( -12.649 17.373 5.769) 22.251 2.343 ( -8.964 -2.211 0.205) 9.235 2.662 ( -5.449 1.491 0.710) 5.693 2.799 ( -0.521 3.700 -1.599) 4.064 3.112 ( 6.774 -2.243 -2.302) 7.498 3.203 ( 4.792 -1.141 -8.241) 9.601 3.430 ( 4.773 4.706 5.429) 8.626 3.609 ( 1.211 -5.116 8.025) 9.594 3.727 ( 2.140 -3.450 3.586) 5.417 3.990 ( -2.101 -5.361 -7.075) 9.122 4.047 ( 1.448 -10.667 5.845) 12.249 4.266 ( -0.700 -7.139 6.329) 9.566 4.600 ( -0.080 0.446 1.039) 1.133 4.735 ( -4.979 8.023 1.474) 9.557 4.972 ( -5.427 -12.184 10.052) 16.702 5.218 ( 3.012 -1.740 -9.011) 9.659 5.320 ( 0.043 0.043 5.613) 5.613 5.574 ( 0.400 5.915 -5.369) 7.999 5.747 ( -0.167 4.837 -8.316) 9.622 5.881 ( -3.215 0.566 -9.181) 9.744 6.265 ( -4.214 9.883 15.630) 18.967 6.395 ( -3.227 5.613 4.862) 8.097 6.758 ( -9.377 -1.076 -0.578) 9.456 7.132 ( -0.414 -0.856 4.599) 4.697 7.736 ( 2.081 -6.004 -0.437) 6.369 7.800 ( 5.567 3.633 0.630) 6.678 8.069 ( 2.533 -1.291 -2.238) 3.618 8.258 ( 0.108 11.101 -5.681) 12.471 8.339 ( -0.042 12.429 0.959) 12.466 8.530 ( 6.497 -0.129 -0.929) 6.564 8.811 ( -2.737 3.669 8.344) 9.517 9.124 ( -5.554 3.024 4.950) 8.031 9.274 ( -0.987 0.489 -0.996) 1.485 9.367 ( 2.172 -4.017 0.598) 4.606 9.554 ( 2.523 0.173 -1.633) 3.010 9.952 ( -0.275 1.112 -2.658) 2.895 10.124 ( 3.648 11.846 -12.038) 17.278 10.524 ( 12.038 1.835 -11.444) 16.710 10.735 ( -5.998 2.919 14.286) 15.767 10.928 ( 8.356 4.084 6.030) 11.085 11.431 ( 6.654 -0.149 -1.998) 6.949 11.641 ( -3.362 -5.217 13.988) 15.303 11.710 ( -0.406 -1.641 12.000) 12.119 12.200 ( -7.412 -2.436 -6.346) 10.057 12.662 ( -3.740 -10.069 -7.736) 13.237 12.867 ( 4.397 -3.351 -2.219) 5.957 13.039 ( 3.514 -4.283 8.711) 10.324 13.468 ( -5.080 -6.256 10.092) 12.915 13.958 ( 11.188 10.884 9.549) 18.298 14.043 ( -14.261 -5.480 3.211) 15.612 14.741 ( 10.826 1.365 -12.896) 16.893 15.268 ( -8.304 2.197 -3.993) 9.472 15.604 ( -4.449 -6.067 -1.895) 7.759 15.958 ( 3.576 -1.603 5.122) 6.449 16.383 ( -10.809 -4.673 -20.931) 24.016 16.554 ( 2.592 -3.507 -5.683) 7.163 16.944 ( 9.406 -0.125 16.080) 18.630 17.485 ( -10.919 -15.611 20.403) 27.914 18.205 ( 11.342 -1.381 6.555) 13.172 18.489 ( 4.109 -2.659 1.425) 5.098 18.593 ( -0.139 0.580 -0.815) 1.010 18.766 ( 11.436 17.118 5.075) 21.202 19.257 ( -10.762 -3.058 4.140) 11.929 21.391 ( -5.525 -9.148 -25.127) 27.306 22.317 ( -0.630 11.784 16.226) 20.064 24.166 ( -3.477 -7.835 0.107) 8.573 24.665 ( 4.966 3.529 -12.968) 14.328 25.385 ( 1.226 -0.487 -10.913) 10.992 ======================= Grid point 76 (34/125) ======================= q-point: (-0.14 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -26.721 11.652 3.113) 29.316 0.952 ( -7.567 21.729 17.500) 28.908 1.617 ( -5.468 26.383 37.917) 46.515 1.876 ( -13.587 4.963 26.660) 30.331 1.946 ( -13.923 8.656 7.171) 17.894 2.257 ( -2.102 2.784 1.300) 3.722 2.627 ( 1.213 -5.198 0.496) 5.361 2.805 ( 0.519 3.007 -1.040) 3.224 3.222 ( 7.338 -2.813 -10.111) 12.806 3.300 ( 3.536 -4.835 11.138) 12.646 3.515 ( 1.701 7.577 3.696) 8.600 3.638 ( 0.109 -4.157 7.560) 8.628 3.765 ( -1.711 -3.986 0.969) 4.445 3.839 ( -5.460 -5.370 -4.317) 8.791 4.090 ( -0.057 -12.366 5.385) 13.488 4.285 ( 1.672 -10.106 2.801) 10.619 4.557 ( -4.304 -0.498 0.191) 4.337 4.690 ( 0.027 4.391 -3.547) 5.645 4.877 ( -7.791 -8.462 7.228) 13.585 5.242 ( 1.776 -2.852 -4.668) 5.751 5.357 ( 3.405 -0.426 2.604) 4.308 5.517 ( -5.247 0.931 0.741) 5.380 5.690 ( -2.523 4.187 -9.390) 10.587 5.817 ( -0.112 3.923 -9.171) 9.975 6.294 ( -1.142 6.070 5.110) 8.016 6.430 ( 5.727 4.435 24.588) 25.633 6.596 ( -6.054 0.266 -0.583) 6.088 7.113 ( -1.772 -4.305 5.165) 6.954 7.791 ( 2.357 -3.057 1.903) 4.304 7.921 ( 6.210 4.002 1.659) 7.572 8.118 ( 4.520 8.257 -2.744) 9.806 8.262 ( 1.927 4.605 -5.302) 7.282 8.364 ( 2.596 9.197 0.586) 9.574 8.569 ( -3.851 0.710 -1.594) 4.228 8.820 ( 3.018 3.091 4.835) 6.483 9.002 ( -8.036 3.367 8.041) 11.857 9.245 ( -3.274 -8.464 2.655) 9.455 9.526 ( 9.567 3.037 6.813) 12.131 9.596 ( 2.753 1.213 -1.617) 3.416 9.945 ( -0.424 -1.589 -1.020) 1.935 10.188 ( 9.089 8.088 -11.996) 17.086 10.588 ( -3.669 -3.920 1.635) 5.613 10.809 ( 13.804 4.691 -7.925) 16.594 11.132 ( 10.277 4.424 8.335) 13.952 11.523 ( 1.115 -1.505 1.323) 2.293 11.565 ( -8.159 -0.182 10.729) 13.480 11.712 ( -5.218 2.180 13.390) 14.535 12.064 ( -2.109 -1.924 -5.405) 6.112 12.493 ( -11.430 -12.798 -1.696) 17.242 12.943 ( 3.270 -2.621 -2.329) 4.794 13.024 ( -8.603 -3.518 3.879) 10.071 13.484 ( -2.840 -15.305 7.093) 17.107 13.853 ( 1.682 5.609 -3.117) 6.634 14.353 ( 19.273 6.796 17.825) 27.118 14.754 ( -2.996 14.939 -29.802) 33.471 14.986 ( -14.366 0.482 -1.749) 14.481 15.633 ( 3.159 -7.074 2.018) 8.006 16.005 ( -17.111 1.258 -16.776) 23.996 16.067 ( 3.725 -0.642 2.918) 4.775 16.575 ( 1.222 -7.968 -3.386) 8.743 17.080 ( -0.119 -0.457 9.252) 9.264 17.392 ( -5.674 -18.445 23.575) 30.467 18.317 ( -0.733 -6.816 -1.993) 7.139 18.543 ( 2.849 0.757 -1.224) 3.192 18.696 ( 8.156 -1.212 6.862) 10.727 19.037 ( -8.813 -4.590 4.678) 10.982 19.257 ( 31.743 15.286 11.093) 36.937 21.139 ( -11.051 -13.950 -22.717) 28.858 22.404 ( 3.728 13.447 21.199) 25.379 24.063 ( -7.504 -7.437 0.988) 10.611 24.744 ( 7.897 5.347 -13.978) 16.922 25.365 ( 0.619 -1.330 -11.181) 11.277 ======================= Grid point 77 (35/125) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 1.788 20.461 7.708) 21.938 1.386 ( 0.975 19.041 9.031) 21.097 1.807 ( -7.454 4.492 20.625) 22.386 1.897 ( -5.103 7.282 -2.036) 9.122 2.184 ( 1.624 3.169 13.134) 13.609 2.443 ( -0.679 11.869 0.172) 11.889 2.781 ( -0.064 25.841 11.245) 28.182 2.814 ( -0.738 -0.693 2.593) 2.784 3.134 ( 0.551 -9.018 -3.365) 9.641 3.292 ( 1.384 -0.471 6.599) 6.759 3.440 ( -3.833 -8.147 1.013) 9.061 3.628 ( 0.225 -9.522 3.120) 10.023 3.645 ( -1.485 -4.392 -1.664) 4.926 3.781 ( -0.392 -0.898 6.222) 6.299 3.969 ( 2.786 -13.512 7.177) 15.551 4.062 ( 5.010 3.407 3.834) 7.170 4.387 ( -3.459 -10.133 0.225) 10.709 4.661 ( -6.131 -0.459 1.196) 6.264 4.761 ( 4.764 0.102 -5.606) 7.358 5.184 ( -4.301 -0.842 3.632) 5.692 5.459 ( 2.360 2.401 1.465) 3.672 5.519 ( 1.276 3.626 3.614) 5.276 5.777 ( 1.863 7.317 -5.719) 9.472 5.922 ( 1.513 6.272 -7.649) 10.007 6.343 ( -2.709 3.866 -2.314) 5.258 6.540 ( 0.979 0.756 -1.005) 1.594 6.646 ( 2.140 1.272 18.182) 18.352 6.989 ( -0.626 -7.732 12.603) 14.799 7.818 ( -0.910 1.992 0.579) 2.265 8.092 ( -0.205 4.191 -0.227) 4.202 8.247 ( 4.932 -4.285 -1.102) 6.626 8.363 ( 0.471 -1.768 -3.127) 3.623 8.531 ( -4.581 2.504 7.794) 9.380 8.574 ( 3.377 11.843 0.889) 12.347 8.828 ( -3.464 7.172 -8.368) 11.553 9.137 ( -2.667 9.241 5.960) 11.315 9.240 ( 3.250 5.273 5.626) 8.367 9.621 ( -3.912 0.278 3.265) 5.103 9.661 ( 3.992 -1.010 -3.503) 5.406 9.813 ( -5.031 -5.336 5.956) 9.448 10.302 ( 9.739 -5.656 -2.248) 11.484 10.369 ( -9.248 -4.744 0.733) 10.420 11.074 ( 5.042 3.718 -3.820) 7.337 11.372 ( 2.449 3.723 -0.188) 4.460 11.481 ( -3.232 6.640 0.842) 7.433 11.613 ( 1.406 2.760 1.699) 3.533 11.741 ( -10.380 10.100 6.837) 16.015 12.125 ( 0.418 1.668 -0.096) 1.723 12.228 ( 3.391 3.494 4.994) 6.974 12.777 ( -10.056 -1.900 -7.665) 12.786 12.930 ( 1.665 -4.274 -0.489) 4.613 13.104 ( -3.078 -9.500 0.861) 10.024 14.182 ( 0.479 10.583 -0.256) 10.597 14.439 ( -11.248 6.069 0.668) 12.798 14.792 ( 5.520 -3.264 3.973) 7.544 15.196 ( 16.862 6.686 -12.623) 22.099 15.535 ( -7.954 -5.448 4.608) 10.686 15.788 ( -1.058 -2.044 -1.757) 2.895 16.044 ( -4.316 -6.044 3.760) 8.325 16.454 ( 6.506 -7.275 -6.465) 11.707 16.944 ( -3.817 -8.244 6.116) 10.952 17.127 ( -2.224 -10.054 22.293) 24.556 18.211 ( 1.210 -4.521 -1.779) 5.007 18.513 ( -3.367 -1.708 -8.849) 9.621 18.720 ( -4.231 0.262 4.094) 5.893 18.964 ( 7.187 -3.792 12.950) 15.288 19.641 ( -7.210 4.759 -9.149) 12.583 20.760 ( 13.503 -15.391 -11.285) 23.379 22.776 ( -1.051 12.477 13.795) 18.630 23.853 ( -1.430 -6.486 3.548) 7.530 24.897 ( 3.877 2.418 -13.417) 14.173 25.284 ( 1.523 -3.642 -11.916) 12.553 ======================= Grid point 78 (36/125) ======================= q-point: ( 0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 17.462 9.309 8.384) 21.492 1.462 ( 4.383 18.113 8.079) 20.312 1.738 ( -6.694 7.322 19.569) 21.940 1.874 ( 2.004 9.693 4.292) 10.788 2.271 ( 3.627 -1.920 4.983) 6.456 2.455 ( 1.477 10.535 2.961) 11.043 2.700 ( -5.136 3.583 0.753) 6.308 2.913 ( 3.701 16.825 9.710) 19.776 3.116 ( -1.962 -10.154 -3.339) 10.867 3.327 ( -2.290 -1.659 11.326) 11.673 3.375 ( -1.385 -4.713 -2.403) 5.469 3.596 ( -3.385 -8.407 1.845) 9.248 3.656 ( 1.035 -3.074 6.647) 7.397 3.796 ( 0.513 -8.935 -0.893) 8.994 4.034 ( 3.463 -4.924 3.580) 7.004 4.155 ( -1.560 1.952 4.740) 5.359 4.362 ( 1.129 -7.404 -1.811) 7.705 4.574 ( 0.926 2.177 -0.392) 2.398 4.914 ( 9.803 -1.928 0.223) 9.994 5.109 ( -3.177 0.030 2.630) 4.124 5.432 ( -2.563 4.170 1.103) 5.017 5.655 ( 8.321 -0.813 0.642) 8.385 5.801 ( 2.204 8.093 -4.781) 9.655 5.933 ( 2.377 6.106 -8.029) 10.363 6.323 ( 0.940 5.220 1.822) 5.609 6.608 ( 5.808 0.763 0.967) 5.937 6.761 ( 2.944 -4.414 18.108) 18.869 7.029 ( 0.110 -7.584 10.118) 12.645 7.749 ( -6.187 1.019 -1.654) 6.484 8.008 ( -6.814 2.773 -0.466) 7.372 8.245 ( -4.683 -4.510 2.048) 6.816 8.423 ( 3.864 -4.590 2.919) 6.672 8.494 ( -1.247 3.405 1.124) 3.797 8.614 ( -0.560 12.068 -1.689) 12.198 8.776 ( 2.725 12.726 -3.368) 13.443 9.147 ( 1.155 6.892 5.338) 8.793 9.275 ( -1.697 4.182 -1.061) 4.636 9.546 ( -0.991 -1.149 0.365) 1.561 9.678 ( -3.448 2.419 4.749) 6.347 9.815 ( 5.280 -2.606 3.531) 6.866 10.181 ( -10.619 -5.096 -2.060) 11.957 10.499 ( 10.071 -7.513 -2.624) 12.835 11.069 ( -4.152 8.799 -3.019) 10.187 11.210 ( -18.338 10.475 2.038) 21.217 11.408 ( -1.980 9.939 0.124) 10.136 11.575 ( -5.714 5.260 1.561) 7.922 11.664 ( 0.603 1.445 5.847) 6.053 12.094 ( 1.900 0.888 0.908) 2.285 12.501 ( 8.088 4.087 -2.224) 9.331 12.677 ( 9.267 -7.664 -0.590) 12.040 12.908 ( -4.682 -4.796 -0.251) 6.707 13.079 ( 0.892 -4.643 -1.406) 4.933 13.987 ( -13.835 8.066 1.121) 16.054 14.205 ( -8.565 9.412 -2.078) 12.894 15.171 ( 18.565 0.377 4.826) 19.186 15.287 ( -10.513 -9.695 3.694) 14.770 15.387 ( 4.783 0.353 -7.833) 9.185 15.772 ( -5.885 -3.501 3.431) 7.659 16.015 ( 5.233 -5.934 -4.583) 9.143 16.582 ( 6.516 -4.535 -3.365) 8.622 16.896 ( -3.000 -4.787 3.905) 6.867 17.193 ( 0.602 -12.180 20.887) 24.186 18.170 ( -4.221 -5.787 -4.362) 8.387 18.493 ( 4.211 -3.409 -3.967) 6.715 18.613 ( -8.519 2.097 4.045) 9.661 19.085 ( -3.401 -4.585 7.084) 9.098 19.375 ( -7.947 11.779 -3.043) 14.532 21.077 ( 18.424 -19.122 -12.767) 29.463 22.743 ( -6.959 11.685 14.021) 19.533 23.886 ( 3.176 -7.732 2.421) 8.702 24.875 ( -1.159 2.858 -11.664) 12.065 25.297 ( 3.869 -3.383 -12.352) 13.379 ======================= Grid point 79 (37/125) ======================= q-point: ( 0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 4.245 10.367 7.576) 13.524 1.655 ( 1.111 6.073 11.376) 12.944 1.737 ( 9.694 12.452 16.517) 22.843 1.971 ( 4.492 5.698 10.820) 13.027 2.329 ( 1.541 0.001 1.100) 1.894 2.520 ( 4.473 4.078 -0.877) 6.116 2.624 ( -2.670 -0.280 -1.981) 3.336 2.991 ( -1.561 6.956 10.017) 12.295 3.046 ( -0.440 -7.437 -2.890) 7.991 3.274 ( -4.263 -1.810 2.759) 5.391 3.384 ( 0.728 -2.498 3.571) 4.418 3.540 ( -3.912 -5.982 5.641) 9.106 3.693 ( -1.374 1.118 8.758) 8.936 3.818 ( 4.063 -7.392 -5.889) 10.288 4.028 ( -7.200 3.815 3.196) 8.753 4.116 ( -0.061 -0.843 4.566) 4.643 4.396 ( 2.367 -7.643 -0.306) 8.007 4.695 ( 8.935 2.765 3.106) 9.855 5.017 ( 1.160 3.794 3.201) 5.097 5.169 ( 7.579 -0.556 -0.776) 7.638 5.374 ( -4.307 2.943 1.214) 5.356 5.780 ( 3.982 5.965 -4.321) 8.373 5.836 ( 4.606 2.745 -6.429) 8.372 5.950 ( 1.774 3.420 -6.714) 7.741 6.382 ( 3.591 6.637 6.537) 9.984 6.737 ( 5.616 -1.065 5.226) 7.745 6.833 ( -2.464 -3.425 15.667) 16.225 7.050 ( -0.900 -4.482 5.132) 6.873 7.607 ( -6.118 -1.819 -2.113) 6.723 7.869 ( -7.375 0.299 -0.917) 7.438 8.156 ( -4.502 -1.644 2.417) 5.368 8.357 ( -7.782 2.925 -1.052) 8.380 8.563 ( 6.009 -6.188 -1.207) 8.710 8.631 ( 1.962 12.083 4.265) 12.962 8.841 ( 3.314 16.508 -2.022) 16.958 9.186 ( 0.677 2.445 -4.562) 5.220 9.238 ( 1.315 5.814 4.720) 7.603 9.495 ( -4.755 -0.327 -1.487) 4.993 9.743 ( 4.409 0.998 10.521) 11.451 9.940 ( 4.680 2.019 1.000) 5.195 9.983 ( -4.577 -5.483 -7.863) 10.623 10.594 ( 0.269 -6.280 -8.939) 10.928 10.915 ( -6.451 23.584 1.837) 24.519 10.966 ( -7.722 3.414 -0.589) 8.464 11.387 ( -2.498 9.403 4.013) 10.524 11.504 ( -2.294 0.623 1.982) 3.095 11.668 ( -2.720 0.225 9.093) 9.494 12.158 ( 3.686 -3.764 -0.634) 5.306 12.467 ( -2.395 -3.929 -8.952) 10.065 12.739 ( -9.338 -8.881 2.203) 13.073 13.036 ( 10.374 -1.199 10.099) 14.528 13.193 ( 16.449 -1.871 -1.667) 16.639 13.740 ( -11.231 7.862 -1.183) 13.760 14.170 ( 3.286 1.985 0.374) 3.857 14.927 ( -19.103 -13.982 3.371) 23.912 15.290 ( -10.270 -8.553 -2.629) 13.621 15.617 ( 7.034 4.772 -1.699) 8.668 15.762 ( 16.194 -0.929 1.274) 16.271 16.158 ( 8.416 -3.199 -0.309) 9.009 16.632 ( -0.823 -1.072 -1.157) 1.779 16.850 ( -2.637 -2.323 -1.933) 4.011 17.258 ( -1.078 -10.598 19.652) 22.353 18.098 ( -1.057 -5.909 -2.489) 6.498 18.425 ( -11.611 2.167 2.395) 12.052 18.578 ( 3.528 -4.370 -0.607) 5.649 18.913 ( -8.290 4.351 -3.009) 9.835 19.393 ( 2.571 4.035 7.092) 8.555 21.292 ( 9.695 -17.577 -16.122) 25.746 22.643 ( -7.712 12.548 13.400) 19.912 23.959 ( 3.297 -9.407 1.434) 10.071 24.802 ( -1.982 3.557 -10.867) 11.605 25.332 ( 4.035 -2.934 -12.312) 13.284 ======================= Grid point 80 (38/125) ======================= q-point: ( 0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 1.003 9.502 16.108) 18.728 1.622 ( -3.612 12.915 7.570) 15.399 1.965 ( 0.480 5.252 21.456) 22.095 2.086 ( 5.128 -0.217 3.486) 6.205 2.350 ( 0.361 0.678 0.744) 1.069 2.556 ( -2.443 -4.660 1.351) 5.432 2.627 ( 6.557 6.330 -5.430) 10.609 2.932 ( -2.589 -8.585 3.332) 9.566 3.103 ( 0.852 -1.490 -0.190) 1.727 3.216 ( -1.189 2.168 0.726) 2.577 3.406 ( -0.052 -3.120 4.406) 5.399 3.484 ( -4.121 5.728 7.200) 10.081 3.685 ( 0.044 -3.236 5.898) 6.727 3.839 ( -2.221 -1.795 -5.360) 6.074 3.977 ( -0.018 2.902 10.395) 10.793 4.097 ( -2.138 1.655 5.205) 5.865 4.447 ( 2.615 -10.297 1.796) 10.775 4.862 ( 5.365 -1.221 4.204) 6.924 5.046 ( 1.309 9.464 0.501) 9.567 5.268 ( -1.040 1.252 -0.855) 1.839 5.294 ( -0.519 2.733 1.481) 3.152 5.785 ( 0.020 9.569 -7.630) 12.239 5.910 ( 4.646 7.982 -9.878) 13.523 5.943 ( -0.772 -5.922 -4.152) 7.273 6.487 ( 3.860 8.277 9.359) 13.077 6.733 ( -9.856 0.980 14.376) 17.458 6.849 ( 0.615 -2.223 0.024) 2.307 7.021 ( -1.644 -1.009 6.107) 6.404 7.584 ( 4.112 -4.623 -0.407) 6.201 7.733 ( -6.546 -2.628 -0.382) 7.064 8.072 ( -5.157 0.139 -4.440) 6.806 8.265 ( -0.491 -0.561 3.698) 3.772 8.629 ( 1.558 7.065 -2.652) 7.706 8.690 ( 1.578 8.660 3.515) 9.479 8.892 ( 2.531 14.225 2.288) 14.629 9.184 ( 1.931 0.188 -6.070) 6.373 9.299 ( 0.463 4.006 3.293) 5.206 9.419 ( -1.804 -0.954 -1.440) 2.498 9.673 ( -7.978 -0.516 4.093) 8.982 9.972 ( -0.800 2.835 -2.877) 4.117 10.091 ( 11.201 -1.272 -6.897) 13.216 10.563 ( 3.264 2.411 -5.582) 6.901 10.802 ( -6.585 13.330 -4.166) 15.440 10.937 ( 1.546 7.908 8.174) 11.478 11.325 ( -3.351 5.133 -1.011) 6.213 11.513 ( 0.711 -2.403 8.968) 9.311 11.626 ( -4.620 -0.046 8.697) 9.849 12.217 ( 2.704 -6.086 0.277) 6.666 12.398 ( -1.322 -7.966 -7.112) 10.761 12.626 ( -1.961 -9.659 1.801) 10.019 13.128 ( -1.987 5.013 6.959) 8.804 13.522 ( 8.118 1.678 4.328) 9.352 13.636 ( 5.390 -1.478 1.073) 5.691 14.263 ( 5.777 -2.836 -2.011) 6.742 14.567 ( -18.805 -12.940 0.380) 22.830 15.102 ( -6.216 -13.096 -2.478) 14.707 15.679 ( 4.349 3.791 0.768) 5.820 16.129 ( 14.766 1.294 -0.890) 14.849 16.271 ( 1.282 -3.464 2.202) 4.300 16.564 ( -3.246 4.050 3.087) 6.039 16.773 ( -3.776 -0.536 -8.084) 8.939 17.311 ( -0.122 -10.045 20.075) 22.448 18.095 ( -1.804 -2.193 4.811) 5.586 18.251 ( -3.760 -0.427 -2.225) 4.390 18.603 ( -0.120 -3.452 -1.088) 3.621 18.824 ( -0.790 2.953 -3.500) 4.647 19.431 ( -1.380 2.253 6.061) 6.612 21.351 ( 3.248 -15.898 -18.363) 24.505 22.566 ( -4.789 13.447 12.675) 19.090 24.009 ( 1.488 -10.097 1.391) 10.301 24.739 ( -0.428 4.055 -11.595) 12.291 25.359 ( 3.097 -2.711 -12.001) 12.687 ======================= Grid point 81 (39/125) ======================= q-point: (-0.43 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -7.334 11.635 13.106) 18.998 1.682 ( 3.562 14.463 11.827) 19.020 1.878 ( -12.905 -1.963 5.903) 14.327 2.147 ( -2.669 8.162 17.775) 19.741 2.361 ( -0.640 -4.332 2.086) 4.851 2.506 ( -1.874 -1.817 -0.269) 2.624 2.760 ( 6.203 5.577 1.569) 8.488 2.908 ( -3.282 -2.121 0.179) 3.911 3.062 ( -0.474 -1.192 -3.606) 3.827 3.200 ( -0.663 1.846 -3.561) 4.065 3.400 ( -2.191 -1.276 8.398) 8.772 3.496 ( 1.445 1.385 8.967) 9.188 3.707 ( -0.445 8.857 0.196) 8.870 3.773 ( -2.136 -9.988 1.804) 10.371 4.023 ( 1.742 -1.676 10.783) 11.051 4.103 ( -0.634 1.937 3.129) 3.734 4.497 ( 1.531 -10.970 3.131) 11.510 4.855 ( -6.165 -5.596 5.856) 10.179 5.055 ( -5.354 10.578 1.566) 11.958 5.203 ( 1.965 3.810 -5.793) 7.207 5.331 ( 0.358 0.836 2.599) 2.754 5.742 ( -2.041 5.403 -8.464) 10.246 5.868 ( -2.824 0.171 -6.585) 7.167 5.963 ( 3.152 5.803 -8.862) 11.052 6.546 ( -1.698 8.431 10.576) 13.631 6.567 ( -10.220 6.501 9.845) 15.609 6.804 ( -3.631 -5.336 0.262) 6.459 7.086 ( 3.339 0.410 7.257) 7.999 7.624 ( -2.237 -5.583 0.420) 6.029 7.722 ( 7.460 -0.029 0.732) 7.496 7.969 ( -2.611 -2.816 -3.731) 5.355 8.343 ( 6.385 -0.277 2.007) 6.699 8.618 ( -1.336 11.176 -3.468) 11.778 8.676 ( -3.490 11.795 -1.202) 12.359 8.930 ( -0.273 10.658 4.439) 11.549 9.225 ( 4.047 -2.711 -2.808) 5.623 9.263 ( -2.764 3.163 0.973) 4.312 9.403 ( -2.119 -0.343 2.002) 2.936 9.573 ( -3.593 4.965 1.146) 6.235 9.956 ( 1.328 -0.126 -2.716) 3.026 10.245 ( 7.847 3.257 -10.592) 13.578 10.545 ( -4.095 6.616 -3.269) 8.440 10.817 ( 8.833 2.551 -1.545) 9.323 10.939 ( -5.627 8.445 8.025) 12.937 11.327 ( 5.057 2.215 -1.212) 5.652 11.547 ( -1.785 -1.571 8.434) 8.763 11.609 ( 1.543 -1.837 11.652) 11.896 12.247 ( -0.649 -2.429 1.805) 3.095 12.409 ( 5.353 -10.758 -7.021) 13.918 12.666 ( 4.537 -9.540 0.277) 10.568 13.032 ( -7.968 3.782 5.890) 10.606 13.544 ( -5.736 0.770 4.377) 7.257 13.814 ( 7.775 -0.759 10.757) 13.294 14.201 ( -12.063 -7.069 -5.182) 14.911 14.461 ( 10.926 -7.907 -4.735) 14.294 15.086 ( 5.568 -12.571 -3.048) 14.083 15.784 ( 3.880 4.782 3.277) 6.975 16.024 ( -17.440 0.833 -1.511) 17.525 16.335 ( 2.045 -2.465 -0.197) 3.209 16.637 ( -1.192 -1.065 -11.997) 12.103 16.698 ( 5.792 1.540 12.448) 13.816 17.347 ( -4.630 -9.625 19.440) 22.180 18.073 ( 1.085 2.490 3.529) 4.454 18.298 ( 6.563 -4.004 0.040) 7.688 18.585 ( -1.038 -4.571 -2.725) 5.422 18.836 ( 3.342 2.825 -2.543) 5.061 19.382 ( -5.213 3.479 3.874) 7.369 21.298 ( -2.088 -15.585 -20.300) 25.677 22.554 ( -0.976 14.541 12.230) 19.025 24.021 ( -0.923 -10.237 1.958) 10.464 24.715 ( 2.369 4.503 -12.776) 13.751 25.365 ( 1.806 -2.877 -11.794) 12.274 ======================= Grid point 82 (40/125) ======================= q-point: (-0.29 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -6.443 14.570 9.447) 18.522 1.531 ( -20.337 10.963 2.114) 23.200 1.817 ( 1.712 5.482 15.536) 16.564 2.137 ( -5.263 7.523 23.688) 25.406 2.266 ( -9.025 -1.238 -0.163) 9.111 2.509 ( 0.784 6.290 -2.561) 6.837 2.785 ( -7.531 5.522 1.554) 9.467 2.832 ( 0.487 6.633 7.585) 10.088 3.099 ( 2.852 -1.474 -0.135) 3.213 3.204 ( 2.913 0.767 -7.609) 8.184 3.431 ( 2.870 -3.307 3.420) 5.556 3.528 ( 0.567 -3.957 8.411) 9.313 3.718 ( -0.214 6.575 4.611) 8.034 3.751 ( -0.861 -16.403 4.444) 17.016 4.017 ( -7.086 7.347 -2.220) 10.446 4.101 ( -0.370 -6.689 6.136) 9.084 4.518 ( -0.816 -10.030 3.808) 10.760 4.765 ( -4.631 -6.346 8.232) 11.379 4.882 ( -9.222 5.139 -2.066) 10.758 5.246 ( 1.091 4.561 -2.073) 5.127 5.334 ( 0.615 0.166 0.603) 0.877 5.648 ( -4.875 0.385 -3.018) 5.746 5.824 ( 0.195 4.588 -8.900) 10.015 5.964 ( 0.151 6.954 -9.137) 11.483 6.460 ( -4.063 5.886 6.128) 9.419 6.529 ( -3.307 9.610 15.397) 18.448 6.710 ( -6.292 -3.582 -1.489) 7.392 7.095 ( -5.325 -2.852 7.105) 9.326 7.665 ( 6.142 -1.065 0.891) 6.297 7.867 ( 6.866 3.157 1.991) 7.815 7.986 ( 5.339 -5.724 -1.540) 7.977 8.465 ( 4.575 2.286 -3.415) 6.150 8.565 ( -2.968 6.493 -0.628) 7.167 8.590 ( -2.819 11.635 -3.724) 12.537 8.920 ( -1.490 8.226 1.389) 8.474 9.185 ( -4.619 4.820 5.080) 8.389 9.318 ( -2.642 2.930 1.636) 4.271 9.372 ( 6.057 0.964 2.278) 6.542 9.565 ( 1.704 1.744 0.223) 2.449 9.961 ( -1.468 -0.385 -0.035) 1.518 10.256 ( -2.617 0.764 -3.990) 4.832 10.586 ( 8.793 4.036 -10.515) 14.289 10.802 ( -6.168 2.611 3.888) 7.745 11.013 ( 10.445 3.788 -0.890) 11.146 11.442 ( 4.994 1.667 0.270) 5.272 11.571 ( 1.494 1.719 12.243) 12.453 11.702 ( 2.536 0.614 11.782) 12.068 12.187 ( -5.782 -0.280 -1.270) 5.926 12.482 ( 1.411 -6.307 -7.183) 9.662 12.753 ( 5.132 -7.768 -2.438) 9.624 12.979 ( 0.656 -0.663 10.844) 10.884 13.372 ( -11.293 -3.791 6.365) 13.506 13.895 ( -6.376 -7.693 1.108) 10.053 14.141 ( 12.416 7.290 5.424) 15.386 14.706 ( 15.632 -6.343 -7.468) 18.449 15.254 ( 11.857 -8.350 -2.956) 14.801 15.515 ( -25.138 4.083 -5.477) 26.050 15.970 ( 4.317 1.977 9.375) 10.509 16.259 ( -9.935 -6.103 -2.931) 12.023 16.522 ( -3.239 -0.372 -11.569) 12.019 16.889 ( 5.428 -4.574 14.499) 16.143 17.265 ( -9.478 -8.519 16.883) 21.153 18.155 ( 4.127 -2.219 2.284) 5.213 18.446 ( 8.117 -1.223 0.463) 8.221 18.571 ( 1.973 -2.145 -1.566) 3.309 18.926 ( 4.680 -3.877 -0.186) 6.080 19.306 ( -0.825 10.579 1.914) 10.782 21.127 ( -8.711 -16.024 -21.815) 28.435 22.608 ( 2.125 15.590 12.228) 19.927 23.986 ( -3.673 -9.745 2.661) 10.749 24.747 ( 5.699 4.533 -13.504) 15.342 25.348 ( 0.634 -3.307 -11.769) 12.241 ======================= Grid point 83 (41/125) ======================= q-point: (-0.14 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -18.286 17.205 3.726) 25.383 1.373 ( -2.995 19.008 8.725) 21.128 1.857 ( -4.325 3.432 20.000) 20.748 2.061 ( -9.867 0.465 -4.004) 10.659 2.137 ( -3.119 10.677 20.709) 23.507 2.479 ( -2.343 11.948 -2.520) 12.433 2.714 ( -0.929 14.015 8.694) 16.519 2.853 ( -1.002 5.979 4.319) 7.443 3.128 ( 1.025 -4.722 -2.086) 5.263 3.246 ( 2.079 -0.897 2.118) 3.100 3.476 ( 0.777 -9.644 -0.222) 9.678 3.596 ( 2.270 -10.924 4.275) 11.948 3.687 ( -3.212 0.706 2.693) 4.251 3.805 ( 0.491 -0.697 6.148) 6.207 3.861 ( -2.234 -3.725 1.761) 4.687 4.064 ( -3.791 -4.071 2.460) 6.082 4.472 ( -4.997 -10.746 2.569) 12.126 4.712 ( -3.739 -2.231 4.756) 6.448 4.783 ( -1.368 1.015 -2.833) 3.306 5.230 ( -2.224 0.182 3.319) 3.999 5.372 ( 3.708 2.390 -1.868) 4.790 5.564 ( -4.267 3.056 3.953) 6.571 5.789 ( -0.263 5.512 -9.752) 11.205 5.932 ( 0.122 6.572 -7.894) 10.272 6.409 ( -3.182 3.754 -0.118) 4.923 6.561 ( -0.345 8.091 20.002) 21.580 6.587 ( -4.536 -1.015 -2.904) 5.481 7.003 ( -5.387 -6.004 9.505) 12.467 7.783 ( 4.300 1.431 1.352) 4.729 8.008 ( 7.131 4.534 2.037) 8.692 8.116 ( 7.867 -5.545 -0.913) 9.668 8.428 ( -3.448 5.172 -8.937) 10.886 8.529 ( -0.007 10.687 -0.230) 10.690 8.584 ( -1.478 -0.108 5.680) 5.871 8.891 ( -1.020 6.196 -4.917) 7.975 9.163 ( -0.175 9.433 9.971) 13.727 9.224 ( -5.642 5.414 0.498) 7.835 9.543 ( 7.759 -2.708 3.954) 9.120 9.617 ( 3.180 0.446 1.629) 3.600 9.901 ( -4.968 -1.858 2.412) 5.826 10.213 ( 0.836 -3.724 -4.500) 5.901 10.536 ( -8.706 -1.850 0.611) 8.921 10.913 ( 13.147 5.299 -7.773) 16.166 11.213 ( 11.122 3.494 -1.450) 11.748 11.501 ( 1.040 1.322 2.231) 2.794 11.618 ( -1.761 4.020 7.177) 8.412 11.786 ( 1.733 5.911 12.936) 14.327 12.068 ( -3.360 1.426 -2.516) 4.433 12.382 ( -8.801 -0.002 -1.948) 9.014 12.851 ( 5.064 -6.431 -2.033) 8.434 12.992 ( -6.161 -0.195 3.668) 7.173 13.206 ( -8.754 -11.910 4.373) 15.415 13.923 ( 13.789 1.770 -0.937) 13.934 14.451 ( 11.607 3.269 11.379) 16.580 14.951 ( 13.456 3.286 -13.681) 19.469 15.019 ( -23.303 3.022 -2.212) 23.602 15.467 ( 10.104 -6.851 -0.687) 12.227 15.985 ( -14.723 -2.692 -6.113) 16.167 16.059 ( 0.457 -0.817 9.339) 9.386 16.440 ( -1.447 -5.132 -9.313) 10.732 16.972 ( -1.160 -9.330 11.273) 14.679 17.151 ( -7.786 -7.852 18.532) 21.580 18.193 ( 0.854 -4.212 -1.775) 4.650 18.559 ( 2.808 0.459 -3.650) 4.628 18.677 ( 7.221 -0.579 4.145) 8.346 18.907 ( -5.368 -7.724 5.818) 11.060 19.495 ( 17.913 9.903 -1.331) 20.511 20.841 ( -11.983 -14.785 -19.881) 27.521 22.704 ( 3.019 15.057 12.858) 20.029 23.910 ( -4.951 -8.115 3.409) 10.099 24.828 ( 7.331 3.575 -13.821) 16.048 25.314 ( 0.075 -3.674 -11.803) 12.362 ======================= Grid point 84 (42/125) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -1.170 19.329 1.122) 19.397 1.682 ( -0.742 10.108 6.785) 12.197 1.892 ( -2.938 3.221 14.665) 15.299 2.022 ( 0.792 5.371 -0.862) 5.497 2.237 ( -3.155 3.753 7.052) 8.589 2.533 ( 0.606 0.573 -7.592) 7.637 2.766 ( -1.298 -3.354 3.525) 5.035 2.924 ( -1.220 -7.184 -1.245) 7.393 3.160 ( -3.041 -1.329 2.743) 4.306 3.260 ( 1.001 -6.024 1.604) 6.313 3.313 ( 3.889 -7.507 2.169) 8.728 3.473 ( -6.161 -11.507 6.410) 14.542 3.604 ( -0.819 -3.638 10.783) 11.410 3.698 ( -1.303 20.170 7.014) 21.395 3.967 ( -1.617 2.213 5.168) 5.850 4.153 ( 1.256 -2.522 2.429) 3.720 4.253 ( 4.316 9.499 -0.723) 10.459 4.674 ( -4.146 0.961 0.306) 4.267 4.745 ( 2.384 -1.336 -2.703) 3.844 5.130 ( -2.063 -5.695 3.799) 7.150 5.523 ( 1.126 4.171 2.574) 5.029 5.598 ( -1.704 3.028 3.642) 5.033 5.916 ( 3.574 6.432 -6.972) 10.137 6.048 ( 1.973 5.847 -7.260) 9.529 6.372 ( -1.293 -0.752 -2.035) 2.525 6.528 ( 3.220 -2.864 -3.312) 5.435 6.722 ( -2.583 4.789 12.628) 13.750 6.851 ( -2.260 -5.180 14.004) 15.101 7.858 ( -0.090 1.523 0.644) 1.656 8.072 ( 1.739 -7.303 -0.378) 7.517 8.206 ( -4.661 4.012 4.441) 7.586 8.360 ( 2.955 1.807 -1.550) 3.795 8.592 ( -2.093 4.248 3.960) 6.173 8.825 ( 0.293 11.409 -2.202) 11.624 8.948 ( -1.575 2.607 -11.443) 11.842 9.267 ( 3.470 -0.019 3.638) 5.027 9.330 ( -3.244 4.498 2.254) 5.986 9.554 ( 4.843 -7.876 3.646) 9.939 9.666 ( -0.919 5.586 8.320) 10.064 9.797 ( -3.482 2.112 2.785) 4.933 10.121 ( -1.764 -7.186 -2.334) 7.758 10.347 ( -2.907 -1.835 4.829) 5.928 11.162 ( 5.783 5.319 -0.641) 7.884 11.444 ( 4.739 2.673 -0.859) 5.508 11.597 ( 0.843 3.820 -2.034) 4.409 11.680 ( -2.231 3.991 2.027) 5.001 11.954 ( -8.186 10.158 5.111) 14.012 12.202 ( -1.638 5.939 0.500) 6.181 12.297 ( 6.323 2.362 2.688) 7.265 12.735 ( -6.248 -1.960 -5.153) 8.333 12.818 ( -1.219 -6.638 -2.105) 7.069 12.961 ( -0.904 -4.459 2.400) 5.144 14.362 ( 3.542 7.176 1.639) 8.168 14.504 ( -7.166 1.430 5.251) 8.998 14.760 ( 5.325 0.562 4.162) 6.781 15.211 ( 5.392 -6.520 -4.102) 9.403 15.510 ( -3.729 4.466 -1.559) 6.023 15.750 ( 1.786 -1.767 -2.764) 3.735 15.903 ( -9.479 -6.702 3.042) 12.001 16.254 ( 5.976 -13.592 -6.158) 16.074 16.791 ( -1.051 -3.905 9.171) 10.023 16.985 ( -3.183 -5.273 16.758) 17.854 18.166 ( -0.972 0.165 -2.167) 2.381 18.444 ( -4.370 -5.034 -8.307) 10.651 18.749 ( -1.351 2.337 3.222) 4.203 18.894 ( 6.425 -2.806 10.776) 12.856 19.766 ( -2.650 7.792 -9.609) 12.652 20.474 ( 8.836 -13.443 -11.117) 19.554 23.030 ( -1.456 12.316 7.963) 14.738 23.696 ( -1.198 -8.974 3.880) 9.850 24.946 ( 3.281 2.722 -13.235) 13.904 25.198 ( 1.871 -4.700 -12.603) 13.580 ======================= Grid point 85 (43/125) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 7.148 13.181 0.606) 15.007 1.709 ( 1.180 7.090 7.110) 10.110 1.904 ( -1.323 6.586 16.390) 17.714 2.072 ( 3.911 10.870 1.169) 11.612 2.235 ( 0.801 -1.331 3.623) 3.942 2.544 ( 2.468 1.521 -5.643) 6.344 2.708 ( -4.339 -1.814 1.200) 4.854 2.886 ( -2.454 -7.557 -2.206) 8.246 3.135 ( -2.204 -2.936 4.743) 5.998 3.261 ( -0.549 -2.695 -0.425) 2.783 3.353 ( -3.894 -11.241 4.384) 12.679 3.386 ( -0.300 -3.803 5.630) 6.801 3.589 ( -3.036 -6.902 4.651) 8.859 3.761 ( 4.200 9.075 8.736) 13.278 4.007 ( 3.564 2.674 6.470) 7.856 4.249 ( 6.993 0.674 1.307) 7.146 4.298 ( -3.134 9.976 -0.897) 10.495 4.617 ( 1.538 2.316 3.365) 4.364 4.869 ( 9.909 -2.480 0.939) 10.258 5.102 ( -0.740 -2.115 0.624) 2.326 5.502 ( -3.353 2.395 1.684) 4.451 5.622 ( 2.333 -1.526 2.315) 3.623 5.966 ( 3.618 7.733 -6.166) 10.531 6.080 ( 3.719 7.312 -8.495) 11.809 6.387 ( 2.891 0.996 2.146) 3.736 6.624 ( 7.246 -0.759 -2.061) 7.571 6.737 ( -0.048 1.635 13.224) 13.325 6.879 ( -0.070 -6.481 13.084) 14.601 7.791 ( -7.089 2.561 -2.038) 7.808 8.052 ( -4.006 -5.422 0.093) 6.742 8.085 ( -6.843 0.247 7.051) 9.828 8.433 ( 2.317 1.806 -3.722) 4.742 8.547 ( -4.236 2.791 1.273) 5.230 8.778 ( -0.798 4.260 -6.296) 7.644 8.971 ( 5.353 4.973 -1.501) 7.459 9.244 ( -3.014 -2.035 -3.707) 5.192 9.407 ( 5.103 11.767 7.246) 14.732 9.538 ( -3.474 -0.310 1.268) 3.711 9.746 ( 4.670 0.886 -4.018) 6.224 9.794 ( 2.003 3.587 15.993) 16.513 10.005 ( -8.283 -8.087 -0.714) 11.598 10.404 ( 5.274 -3.469 -1.724) 6.544 11.213 ( -1.821 7.451 3.876) 8.594 11.414 ( -6.847 8.247 1.653) 10.845 11.586 ( -1.394 6.379 -1.720) 6.752 11.668 ( -1.046 -0.809 4.845) 5.022 11.741 ( -10.852 9.305 -1.854) 14.414 12.112 ( -2.461 0.049 -1.501) 2.883 12.552 ( -1.932 -3.499 -1.127) 4.153 12.627 ( 8.962 6.388 2.420) 11.269 12.798 ( -0.079 -5.163 -0.312) 5.173 12.997 ( 4.713 -3.427 -1.488) 6.014 14.106 ( -15.394 4.935 7.269) 17.725 14.360 ( -10.945 6.037 -0.496) 12.509 14.978 ( -20.534 -14.622 1.274) 25.241 15.127 ( 13.245 -7.273 2.530) 15.321 15.546 ( 8.425 10.918 -1.928) 13.924 15.705 ( -4.294 -0.803 -3.410) 5.542 15.916 ( 9.134 -4.093 -1.408) 10.108 16.447 ( 12.657 -10.677 -3.032) 16.834 16.801 ( -1.035 -2.673 6.852) 7.427 17.007 ( -0.350 -6.582 17.279) 18.494 18.098 ( -4.619 -1.011 -4.059) 6.232 18.387 ( 0.998 -6.706 -5.472) 8.713 18.675 ( -7.493 3.971 3.597) 9.211 18.978 ( -2.090 -5.314 8.062) 9.879 19.638 ( -3.744 14.301 -7.667) 16.654 20.699 ( 14.862 -18.565 -10.326) 25.926 22.993 ( -5.036 12.660 8.018) 15.809 23.711 ( 1.287 -9.675 3.290) 10.300 24.931 ( 0.081 3.108 -12.421) 12.804 25.212 ( 3.866 -4.893 -12.773) 14.214 ======================= Grid point 86 (44/125) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 4.020 5.552 1.451) 7.006 1.770 ( 1.199 4.442 10.125) 11.122 1.964 ( 2.820 6.867 13.964) 15.815 2.141 ( 1.216 10.879 4.456) 11.819 2.289 ( 3.942 -2.199 2.356) 5.092 2.556 ( -0.796 0.954 -2.198) 2.525 2.673 ( 2.681 1.960 -2.952) 4.444 2.819 ( -4.285 -7.281 1.328) 8.552 3.080 ( -3.828 -3.384 3.468) 6.175 3.242 ( -1.441 -4.386 -5.710) 7.343 3.340 ( 1.703 -3.826 3.366) 5.373 3.433 ( 2.295 0.196 14.693) 14.872 3.542 ( -2.654 -9.726 0.110) 10.082 3.888 ( 6.377 0.243 5.513) 8.433 4.096 ( -0.641 5.876 5.073) 7.789 4.155 ( -6.169 6.395 3.096) 9.409 4.367 ( 3.071 5.891 2.241) 7.012 4.714 ( 4.165 -0.121 6.758) 7.939 5.082 ( 10.620 -0.110 1.294) 10.699 5.145 ( 5.874 0.167 -1.731) 6.126 5.432 ( -4.326 1.994 0.979) 4.863 5.678 ( 2.804 -7.538 0.860) 8.088 5.999 ( 2.178 8.649 -7.594) 11.714 6.110 ( 2.606 8.510 -10.263) 13.585 6.485 ( 5.597 3.272 6.375) 9.093 6.739 ( 2.725 1.086 6.902) 7.500 6.806 ( 2.304 0.275 9.365) 9.648 6.934 ( 2.392 -6.610 8.656) 11.151 7.614 ( -9.370 2.515 -1.189) 9.774 7.896 ( -9.922 1.263 -1.647) 10.137 8.052 ( -1.595 -6.469 9.145) 11.315 8.336 ( -9.956 -4.922 -2.484) 11.381 8.519 ( 3.617 3.361 -6.848) 8.443 8.820 ( 5.380 5.512 -1.758) 7.900 9.073 ( 4.037 4.529 0.027) 6.067 9.198 ( 0.742 -1.254 -4.673) 4.894 9.400 ( -3.502 6.026 1.531) 7.136 9.580 ( 0.463 12.521 5.289) 13.601 9.722 ( -6.505 -5.834 4.493) 9.826 9.921 ( 4.753 1.934 -4.580) 6.878 9.963 ( 8.289 0.736 8.831) 12.134 10.456 ( 1.629 -6.542 -7.920) 10.400 11.087 ( -10.394 8.686 2.799) 13.832 11.321 ( -2.877 15.127 1.483) 15.469 11.546 ( -5.529 3.763 0.752) 6.730 11.564 ( -4.821 4.580 1.432) 6.802 11.677 ( -1.090 2.213 6.718) 7.157 12.087 ( 0.479 -4.732 -3.223) 5.746 12.402 ( -7.696 -2.324 -5.310) 9.635 12.569 ( -11.360 -6.420 3.708) 13.565 13.062 ( 14.898 3.155 9.031) 17.705 13.168 ( 16.330 -0.582 -1.780) 16.437 13.876 ( -13.305 5.945 4.298) 15.193 14.207 ( -3.333 2.891 -1.278) 4.593 14.601 ( -18.981 -16.310 3.589) 25.282 15.025 ( -15.100 -17.330 -2.223) 23.093 15.702 ( 3.458 4.175 -5.317) 7.593 15.887 ( 20.780 10.941 3.348) 23.722 16.080 ( 8.507 -3.664 -0.492) 9.275 16.619 ( 5.503 -1.818 -1.160) 5.911 16.793 ( -1.629 -2.067 3.049) 4.027 17.081 ( 1.431 -7.762 16.112) 17.941 18.014 ( -1.836 -1.679 -3.148) 4.013 18.407 ( 1.095 -9.184 -2.126) 9.491 18.510 ( -10.063 3.945 2.746) 11.152 18.894 ( -6.750 -4.646 2.262) 8.501 19.608 ( 1.119 15.844 -2.738) 16.118 20.891 ( 9.206 -21.580 -12.648) 26.653 22.917 ( -5.385 14.280 8.302) 17.374 23.752 ( 1.607 -11.234 2.864) 11.704 24.882 ( -0.547 4.559 -12.121) 12.962 25.245 ( 4.010 -5.492 -12.683) 14.391 ======================= Grid point 87 (45/125) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.283 1.415 4.964) 5.170 1.795 ( -1.581 4.946 9.888) 11.169 2.059 ( 0.339 3.358 6.746) 7.543 2.163 ( 1.406 4.031 8.512) 9.523 2.369 ( 2.259 2.986 2.012) 4.251 2.505 ( -4.524 1.010 3.733) 5.951 2.745 ( -0.450 -7.670 5.838) 9.650 2.796 ( 7.068 7.293 -4.587) 11.144 3.045 ( -0.315 -4.999 -3.485) 6.102 3.216 ( 1.253 -4.369 -1.984) 4.959 3.334 ( -4.560 -0.327 12.774) 13.568 3.482 ( -3.535 -9.551 -1.576) 10.305 3.630 ( 12.686 3.535 8.774) 15.824 3.922 ( -10.364 8.659 -0.029) 13.505 4.016 ( 3.122 -3.203 6.700) 8.056 4.202 ( 1.460 4.011 8.781) 9.763 4.361 ( -3.577 7.263 3.318) 8.749 4.779 ( -0.115 -5.517 5.297) 7.649 5.229 ( 5.500 6.647 -1.125) 8.700 5.270 ( 5.338 -0.725 -0.818) 5.449 5.351 ( -4.720 2.258 0.428) 5.250 5.713 ( 0.029 -10.610 -1.285) 10.687 5.998 ( 0.890 8.982 -8.562) 12.441 6.116 ( 2.210 8.734 -10.405) 13.763 6.611 ( 4.046 3.343 7.201) 8.910 6.732 ( -6.234 -0.562 11.298) 12.916 6.866 ( 0.405 3.367 3.383) 4.791 7.004 ( 1.696 -0.901 8.411) 8.627 7.516 ( 0.545 -0.612 1.345) 1.575 7.715 ( -7.374 -0.150 -0.591) 7.399 8.024 ( -5.717 -4.103 -0.625) 7.064 8.205 ( -0.551 -6.503 7.313) 9.802 8.597 ( 6.365 -0.369 -7.844) 10.109 8.914 ( 3.673 6.695 -0.503) 7.653 9.109 ( 2.027 5.379 -1.722) 6.000 9.225 ( 0.409 0.094 -3.108) 3.136 9.341 ( -3.684 0.455 0.451) 3.740 9.506 ( -4.271 7.603 0.714) 8.749 9.661 ( -2.570 4.412 10.157) 11.368 10.057 ( 2.231 3.876 -3.178) 5.486 10.105 ( 8.125 2.817 0.131) 8.601 10.494 ( 8.117 -7.813 -6.985) 13.256 10.924 ( -7.954 7.837 0.548) 11.180 11.258 ( -4.378 11.686 -1.935) 12.628 11.397 ( -6.624 2.518 -0.290) 7.093 11.530 ( -2.565 2.308 6.548) 7.402 11.685 ( -1.122 6.810 8.166) 10.693 12.124 ( 4.823 -3.971 -1.914) 6.534 12.258 ( -5.633 -5.583 -2.421) 8.292 12.420 ( -3.442 -9.478 3.612) 10.711 13.260 ( 2.252 7.639 5.907) 9.916 13.524 ( 15.512 -0.206 5.545) 16.475 13.663 ( -6.046 3.442 1.077) 7.040 14.195 ( 0.721 -2.710 -1.656) 3.257 14.279 ( -15.357 -14.438 -0.069) 21.078 14.782 ( -6.922 -17.959 -2.389) 19.395 15.773 ( 5.003 5.168 0.180) 7.196 16.133 ( 2.942 -4.640 4.947) 7.393 16.278 ( 11.310 7.999 -2.460) 14.070 16.647 ( -1.479 3.546 0.250) 3.850 16.757 ( -2.738 -0.595 -0.825) 2.921 17.151 ( 0.330 -7.070 15.359) 16.912 18.026 ( 3.084 -2.930 1.530) 4.521 18.316 ( -7.172 5.779 0.727) 9.239 18.437 ( 0.092 -11.164 -1.464) 11.260 18.797 ( -3.309 -5.386 -0.231) 6.326 19.616 ( 0.030 15.386 -2.072) 15.525 20.960 ( 3.186 -22.223 -14.943) 26.969 22.864 ( -2.994 15.705 8.661) 18.183 23.784 ( 0.613 -12.323 2.969) 12.690 24.839 ( 0.610 5.859 -12.520) 13.837 25.270 ( 3.037 -5.953 -12.530) 14.201 ======================= Grid point 88 (46/125) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -1.401 1.292 6.337) 6.618 1.799 ( -0.928 3.018 7.494) 8.132 2.003 ( -7.061 7.457 6.525) 12.167 2.257 ( 3.281 -4.961 4.755) 7.615 2.334 ( -5.026 10.026 3.496) 11.747 2.464 ( -1.557 0.656 8.697) 8.860 2.772 ( 2.063 -7.706 3.487) 8.706 2.929 ( 5.211 7.025 -3.207) 9.316 3.038 ( 2.074 -2.593 -4.832) 5.863 3.259 ( -3.110 3.608 9.743) 10.845 3.287 ( 0.496 -9.955 3.286) 10.495 3.410 ( -3.400 -6.373 3.611) 8.075 3.744 ( -8.098 4.866 2.816) 9.858 3.912 ( 12.330 2.918 5.847) 13.954 4.017 ( -5.310 9.680 8.542) 13.959 4.203 ( -4.039 -4.154 7.666) 9.609 4.344 ( 1.304 5.856 1.040) 6.089 4.732 ( -5.646 -6.621 3.644) 9.433 5.194 ( -10.693 3.243 -1.483) 11.272 5.306 ( -0.563 -2.223 0.637) 2.380 5.333 ( 3.789 6.401 -1.885) 7.674 5.665 ( -3.400 -7.695 -1.349) 8.520 5.981 ( 0.565 8.718 -9.765) 13.103 6.130 ( 2.291 7.916 -9.480) 12.561 6.609 ( -6.411 1.108 4.590) 7.962 6.668 ( -2.621 -4.268 5.323) 7.309 6.805 ( -6.555 9.041 9.801) 14.859 7.088 ( 0.983 -0.514 8.509) 8.581 7.554 ( 2.117 -0.574 1.745) 2.803 7.716 ( 7.749 -1.354 -0.715) 7.898 7.908 ( -3.521 -1.838 -0.000) 3.972 8.321 ( 7.627 -3.062 8.115) 11.550 8.656 ( 1.280 -1.026 -6.970) 7.160 8.920 ( -2.495 9.083 -1.201) 9.496 9.144 ( -3.728 2.762 -5.690) 7.342 9.177 ( 4.743 0.928 1.734) 5.135 9.328 ( 1.262 1.620 0.841) 2.219 9.446 ( -4.594 5.368 1.296) 7.183 9.672 ( -0.338 5.821 9.307) 10.983 9.973 ( -5.601 2.012 -2.778) 6.568 10.278 ( 7.258 1.285 -1.251) 7.477 10.627 ( 1.909 -2.196 -1.060) 3.097 10.805 ( -0.091 3.879 -3.788) 5.423 11.113 ( -7.331 4.527 -8.995) 12.456 11.410 ( 5.941 5.126 2.984) 8.395 11.541 ( 3.177 -2.069 9.052) 9.814 11.677 ( -1.729 10.104 6.235) 11.998 12.174 ( -2.457 -6.441 1.785) 7.121 12.272 ( 9.762 -1.479 -1.954) 10.065 12.467 ( 5.763 -9.189 2.175) 11.062 13.156 ( -10.469 8.220 4.032) 13.907 13.554 ( -10.123 0.345 3.890) 10.850 13.763 ( 3.500 -4.120 8.117) 9.752 14.137 ( 2.103 1.412 -5.024) 5.627 14.224 ( 7.057 -14.267 -2.417) 16.099 14.795 ( 8.533 -15.569 -2.156) 17.884 15.880 ( 4.467 4.580 4.154) 7.628 16.082 ( -10.036 2.114 1.580) 10.377 16.325 ( -5.403 3.600 0.013) 6.492 16.618 ( -1.519 -0.710 -6.988) 7.186 16.728 ( 0.889 1.554 7.590) 7.798 17.169 ( -4.803 -9.120 14.113) 17.476 18.104 ( 2.393 0.081 6.119) 6.571 18.280 ( 5.070 3.460 -2.290) 6.551 18.443 ( 1.665 -8.788 -1.614) 9.089 18.766 ( -0.205 -7.716 -0.826) 7.763 19.595 ( -0.892 16.138 -3.425) 16.522 20.916 ( -2.126 -21.569 -16.690) 27.355 22.867 ( 0.170 16.146 8.839) 18.408 23.792 ( -0.893 -12.441 3.413) 12.931 24.825 ( 2.609 6.380 -13.185) 14.878 25.273 ( 1.761 -6.096 -12.467) 13.989 ======================= Grid point 89 (47/125) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -4.013 6.250 2.995) 8.009 1.769 ( -6.346 7.276 6.882) 11.857 1.905 ( -4.232 5.729 12.957) 14.786 2.173 ( -6.385 1.066 -4.078) 7.650 2.375 ( -2.226 6.016 15.950) 17.192 2.483 ( 4.184 -2.454 -1.744) 5.154 2.778 ( -2.906 -4.600 -3.260) 6.343 3.000 ( 5.268 2.522 1.941) 6.155 3.054 ( -2.413 0.332 4.375) 5.007 3.215 ( 0.139 -6.351 0.307) 6.360 3.308 ( -1.730 -2.541 0.918) 3.208 3.424 ( 2.091 -8.640 11.349) 14.416 3.638 ( -4.595 3.893 4.879) 7.751 3.873 ( -9.599 9.322 10.690) 17.127 4.109 ( 0.447 9.218 -2.824) 9.652 4.158 ( -0.071 -3.764 8.156) 8.983 4.340 ( -3.105 3.640 0.338) 4.796 4.659 ( -1.607 -5.890 4.860) 7.803 4.949 ( -12.148 1.870 -3.059) 12.666 5.241 ( -5.285 -5.677 1.950) 7.998 5.410 ( 4.087 6.485 -1.352) 7.784 5.620 ( -1.403 -2.047 3.326) 4.150 5.950 ( -0.313 7.344 -11.027) 13.253 6.114 ( -0.743 7.068 -8.921) 11.405 6.509 ( -4.909 -0.026 2.412) 5.470 6.608 ( -4.050 -6.334 -1.540) 7.674 6.742 ( -4.468 9.422 14.839) 18.136 7.029 ( -8.832 -3.220 9.592) 13.431 7.677 ( 8.762 1.520 0.479) 8.906 7.851 ( 6.057 -6.409 -2.443) 9.151 7.958 ( 7.253 6.195 6.099) 11.322 8.493 ( 7.024 1.001 5.116) 8.747 8.592 ( -4.960 -0.658 -5.925) 7.755 8.852 ( -2.926 12.485 -2.261) 13.022 9.090 ( -0.329 2.756 -8.343) 8.793 9.269 ( -0.149 0.036 6.675) 6.676 9.319 ( -1.113 3.863 0.574) 4.061 9.394 ( 1.224 -0.586 1.782) 2.240 9.670 ( -2.809 8.041 4.854) 9.804 9.893 ( -2.031 -5.926 0.269) 6.270 10.265 ( -8.472 2.410 7.955) 11.868 10.620 ( -2.067 -2.646 -3.693) 4.991 10.850 ( 5.488 3.844 -5.546) 8.698 11.077 ( 8.754 2.136 -9.508) 13.100 11.515 ( 4.452 4.903 1.149) 6.721 11.655 ( 1.376 2.208 7.896) 8.313 11.764 ( 9.045 7.465 10.109) 15.483 12.140 ( -1.608 -3.526 -0.395) 3.895 12.436 ( 5.963 0.531 -2.756) 6.591 12.587 ( 6.178 -7.630 -1.041) 9.873 13.021 ( -4.888 4.577 9.086) 11.287 13.308 ( -15.083 -2.570 4.070) 15.832 13.771 ( 0.630 -3.690 -1.305) 3.965 14.240 ( 9.156 -0.437 3.771) 9.912 14.512 ( 21.187 -8.289 -2.322) 22.869 15.012 ( 12.337 -12.961 -2.782) 18.109 15.721 ( -20.087 13.153 -4.226) 24.380 16.009 ( 1.481 1.438 8.727) 8.968 16.170 ( -10.904 -2.305 1.956) 11.316 16.513 ( -6.298 -1.435 -10.160) 12.040 16.791 ( 0.065 -4.346 10.937) 11.769 17.075 ( -8.331 -10.294 13.800) 19.126 18.150 ( 1.100 2.046 3.391) 4.110 18.443 ( 9.996 0.738 -1.583) 10.147 18.509 ( 5.945 -3.930 1.424) 7.267 18.762 ( -0.336 -9.400 -1.094) 9.469 19.591 ( 3.086 16.287 -4.649) 17.216 20.767 ( -7.457 -19.291 -17.595) 27.154 22.922 ( 2.275 15.393 8.656) 17.806 23.772 ( -2.591 -11.520 3.841) 12.416 24.850 ( 4.741 5.732 -13.627) 15.525 25.254 ( 0.740 -5.848 -12.477) 13.800 ======================= Grid point 90 (48/125) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -8.194 15.891 1.582) 17.949 1.694 ( -3.252 11.813 7.550) 14.392 1.900 ( -2.835 1.429 15.380) 15.704 2.059 ( -3.789 1.226 -3.693) 5.431 2.309 ( -6.990 7.044 10.045) 14.120 2.559 ( 1.501 -1.722 -7.032) 7.394 2.728 ( 1.431 -3.421 0.738) 3.781 2.975 ( -4.530 -3.558 2.854) 6.428 3.153 ( 6.516 -1.187 4.659) 8.098 3.233 ( -0.825 0.291 1.014) 1.339 3.264 ( -0.563 -13.152 -0.184) 13.165 3.499 ( 0.608 -10.689 9.706) 14.451 3.597 ( -2.530 5.476 8.765) 10.640 3.748 ( -6.653 12.454 9.421) 16.974 4.023 ( -5.336 5.209 1.631) 7.633 4.168 ( -1.485 2.513 0.046) 2.919 4.251 ( -4.408 2.437 0.698) 5.085 4.688 ( 0.296 -1.278 3.801) 4.021 4.787 ( -3.546 -0.706 -3.266) 4.872 5.160 ( -3.557 -7.175 3.790) 8.860 5.474 ( 3.017 6.444 0.198) 7.118 5.618 ( -1.431 1.901 6.825) 7.228 5.906 ( 0.428 6.083 -10.961) 12.543 6.064 ( -0.847 6.128 -7.800) 9.955 6.432 ( -3.761 -1.201 -1.327) 4.165 6.532 ( -2.159 -4.796 -3.576) 6.360 6.728 ( -2.816 7.138 14.982) 16.833 6.897 ( -7.471 -3.766 11.415) 14.152 7.812 ( 4.661 0.903 0.522) 4.777 7.979 ( 7.372 -6.790 0.230) 10.025 8.125 ( 7.351 7.404 5.756) 11.916 8.452 ( -7.236 -0.349 -5.591) 9.150 8.590 ( 1.341 2.932 4.764) 5.752 8.819 ( 0.179 14.975 -2.494) 15.182 9.035 ( -2.319 4.166 -11.543) 12.489 9.223 ( -0.688 0.128 2.802) 2.888 9.386 ( -1.983 3.495 4.197) 5.810 9.427 ( 4.720 -6.734 6.456) 10.455 9.648 ( -0.224 4.627 5.175) 6.946 9.862 ( -2.507 -3.762 -0.241) 4.527 10.148 ( -4.476 0.046 4.975) 6.693 10.477 ( -9.781 -4.591 2.066) 11.000 11.014 ( 10.867 4.836 -6.247) 13.435 11.273 ( 12.619 1.620 -5.578) 13.891 11.578 ( 2.106 5.537 -0.780) 5.975 11.701 ( -0.199 3.663 6.053) 7.078 11.938 ( 5.942 8.539 9.214) 13.896 12.114 ( -0.266 3.340 0.998) 3.496 12.418 ( -6.113 1.945 -1.980) 6.714 12.703 ( 6.253 -7.734 -2.485) 10.251 12.992 ( -3.005 -1.522 7.069) 7.830 13.026 ( -15.219 -4.020 -0.626) 15.754 13.961 ( 20.841 3.032 0.630) 21.070 14.466 ( 10.120 -2.885 7.367) 12.845 14.921 ( 21.415 -4.732 -2.965) 22.131 15.018 ( -16.394 -2.722 -1.500) 16.686 15.477 ( 2.081 7.794 -3.807) 8.920 15.931 ( -14.203 -1.998 -0.183) 14.344 16.021 ( -4.115 -2.768 7.782) 9.228 16.323 ( -8.268 -8.427 -10.702) 15.934 16.791 ( -2.620 -6.032 10.503) 12.392 17.005 ( -4.697 -6.756 15.765) 17.783 18.169 ( 0.589 1.773 -0.564) 1.952 18.536 ( -0.340 -3.792 -4.477) 5.877 18.675 ( 8.672 0.338 2.833) 9.129 18.764 ( 1.578 -5.089 5.055) 7.344 19.700 ( 9.286 10.924 -5.824) 15.475 20.543 ( -8.432 -14.828 -16.361) 23.636 22.995 ( 1.911 13.721 8.239) 16.118 23.727 ( -3.184 -9.965 4.065) 11.223 24.904 ( 5.496 4.081 -13.684) 15.301 25.222 ( 0.488 -5.249 -12.497) 13.563 ======================= Grid point 91 (49/125) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -1.323 9.888 -0.312) 9.981 1.797 ( -1.873 0.703 4.686) 5.095 1.971 ( -0.636 6.117 8.140) 10.202 2.074 ( 1.694 -1.416 4.077) 4.636 2.345 ( -3.535 6.528 3.674) 8.283 2.476 ( 0.201 -5.631 -0.641) 5.671 2.710 ( -0.091 -0.615 -0.595) 0.860 2.783 ( 0.886 -6.938 -3.290) 7.730 3.100 ( -2.325 -0.017 5.516) 5.986 3.161 ( 3.221 -4.879 0.046) 5.846 3.251 ( -0.722 0.497 0.245) 0.910 3.282 ( -6.211 -4.489 10.449) 12.959 3.550 ( -2.517 2.106 6.684) 7.446 3.712 ( -4.835 -11.900 3.239) 13.247 4.179 ( 0.852 11.208 1.369) 11.324 4.252 ( -0.488 3.548 -1.897) 4.053 4.530 ( 3.994 16.483 4.906) 17.656 4.679 ( -2.271 -0.972 1.843) 3.082 4.736 ( 0.824 1.994 1.930) 2.895 4.939 ( 0.546 -13.008 4.408) 13.746 5.602 ( -1.965 2.949 3.611) 5.059 5.630 ( -2.558 0.143 4.256) 4.968 6.044 ( 4.341 6.224 -9.270) 11.980 6.125 ( 3.341 0.156 -10.090) 10.630 6.349 ( 0.326 0.303 1.209) 1.288 6.425 ( 2.844 -6.057 0.390) 6.703 6.787 ( -3.222 1.356 8.991) 9.647 6.798 ( -2.823 -0.583 10.780) 11.159 7.885 ( 0.759 1.658 1.578) 2.412 7.945 ( 0.813 -4.594 1.445) 4.884 8.312 ( -5.344 5.653 3.151) 8.393 8.388 ( 0.617 -0.741 3.976) 4.092 8.714 ( -1.151 7.502 -3.300) 8.276 8.866 ( -2.872 -6.529 -11.243) 13.315 9.057 ( -1.642 8.279 -2.728) 8.870 9.187 ( -2.370 -5.498 0.240) 5.992 9.399 ( 4.964 0.807 5.697) 7.599 9.437 ( 3.780 -2.630 7.409) 8.724 9.771 ( 0.474 2.688 4.919) 5.625 9.793 ( 0.290 -1.218 -0.935) 1.562 10.116 ( -4.717 5.916 3.875) 8.501 10.259 ( -2.012 -6.607 6.146) 9.245 11.290 ( 7.075 7.062 1.318) 10.083 11.421 ( 7.322 -4.852 0.941) 8.834 11.679 ( -2.121 4.272 -2.161) 5.237 11.730 ( -2.641 -0.054 -0.207) 2.650 12.139 ( -7.011 7.953 2.430) 10.877 12.257 ( -7.915 -3.047 0.044) 8.481 12.393 ( 8.902 9.172 3.046) 13.139 12.600 ( 3.432 -10.346 0.103) 10.901 12.798 ( -4.824 3.775 -3.036) 6.837 12.885 ( -2.169 -4.021 -0.104) 4.570 14.472 ( 5.202 3.674 3.454) 7.245 14.514 ( -1.986 -0.588 4.756) 5.188 14.831 ( 0.636 6.709 3.380) 7.539 15.017 ( -1.900 -10.715 1.468) 10.980 15.645 ( 3.268 7.090 -5.552) 9.579 15.720 ( 1.085 -1.299 -3.082) 3.516 15.814 ( -8.347 -0.590 1.371) 8.479 15.958 ( 1.812 -13.335 -2.600) 13.706 16.798 ( -0.782 3.303 11.049) 11.558 16.885 ( -1.918 -4.812 13.471) 14.433 18.213 ( -2.788 4.229 -3.374) 6.086 18.324 ( -3.990 -6.288 -5.562) 9.294 18.801 ( 1.299 2.558 3.711) 4.690 18.848 ( 4.156 -2.085 6.486) 7.980 19.958 ( 1.340 11.139 -9.970) 15.009 20.206 ( 5.114 -13.015 -10.516) 17.496 23.271 ( -1.348 11.533 5.435) 12.821 23.496 ( -1.181 -10.617 4.381) 11.546 25.012 ( 2.724 3.890 -13.373) 14.191 25.101 ( 2.266 -4.760 -13.159) 14.176 ======================= Grid point 92 (50/125) ======================= q-point: ( 0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 1.317 8.837 -0.291) 8.940 1.789 ( -0.441 0.450 5.173) 5.211 2.004 ( 1.385 5.701 5.836) 8.275 2.138 ( 2.523 -5.384 3.425) 6.862 2.337 ( 1.268 10.389 5.065) 11.627 2.512 ( 3.090 -6.002 1.255) 6.867 2.679 ( -1.956 2.462 -0.884) 3.266 2.784 ( -0.507 -5.273 -3.373) 6.280 3.064 ( -2.814 -0.769 5.366) 6.108 3.142 ( -6.438 -8.088 8.655) 13.482 3.262 ( 3.528 0.796 -2.884) 4.626 3.279 ( 2.664 -1.743 0.486) 3.220 3.527 ( -2.020 0.839 6.531) 6.888 3.659 ( -1.063 -10.502 2.473) 10.842 4.229 ( 2.178 8.867 5.417) 10.617 4.299 ( 4.654 1.020 -0.746) 4.823 4.553 ( -3.553 12.821 0.637) 13.320 4.676 ( 1.053 1.731 8.501) 8.739 4.832 ( 9.203 1.276 1.241) 9.374 4.987 ( 3.940 -9.113 3.095) 10.399 5.546 ( -4.278 2.279 1.637) 5.117 5.590 ( -2.588 -1.908 1.805) 3.687 6.108 ( 4.698 6.078 -8.230) 11.258 6.178 ( 4.804 0.660 -10.100) 11.204 6.411 ( 5.257 3.385 5.036) 8.029 6.534 ( 8.218 -7.161 1.173) 10.964 6.780 ( -0.683 1.614 9.219) 9.384 6.803 ( -0.825 -1.352 11.294) 11.405 7.845 ( -5.534 2.871 -0.094) 6.235 7.918 ( -3.676 -4.810 2.896) 6.711 8.195 ( -7.774 7.698 1.698) 11.072 8.365 ( -5.629 -7.690 0.851) 9.568 8.670 ( -0.984 8.000 -5.653) 9.844 8.793 ( 0.173 -2.923 -8.391) 8.887 9.055 ( 2.128 4.560 -0.169) 5.035 9.153 ( -0.778 -5.200 -0.726) 5.307 9.516 ( 1.681 0.085 4.080) 4.413 9.554 ( 6.741 -0.817 8.227) 10.667 9.761 ( -0.683 1.017 -0.105) 1.230 9.781 ( -1.058 -1.059 3.792) 4.077 10.085 ( -0.213 11.456 4.211) 12.207 10.295 ( 2.469 -8.048 2.256) 8.715 11.378 ( -0.087 8.435 6.257) 10.503 11.511 ( 1.115 -1.987 6.934) 7.299 11.616 ( -4.057 1.926 -1.272) 4.668 11.672 ( -2.789 -1.007 -0.345) 2.986 11.923 ( -11.520 8.744 -5.596) 15.508 12.069 ( -8.677 -4.855 -4.560) 10.938 12.539 ( -1.396 2.410 3.648) 4.590 12.627 ( -3.488 -5.239 3.763) 7.333 12.824 ( 11.475 6.104 -1.986) 13.148 12.928 ( 7.757 -3.897 -1.889) 8.884 14.232 ( -16.396 8.087 8.833) 20.304 14.394 ( -11.989 -4.850 6.310) 14.390 14.794 ( -18.192 -0.314 -2.248) 18.333 14.926 ( -5.568 -10.423 -1.172) 11.875 15.731 ( 5.267 4.655 -6.231) 9.393 15.804 ( 7.684 3.885 -0.341) 8.617 15.854 ( 13.863 5.919 -0.875) 15.099 16.156 ( 17.509 -16.399 -0.416) 23.993 16.815 ( -1.238 3.200 10.279) 10.837 16.899 ( -1.323 -4.686 13.579) 14.425 18.129 ( -4.179 3.925 -4.757) 7.450 18.244 ( -2.247 -6.922 -5.498) 9.121 18.768 ( -5.967 5.049 4.366) 8.953 18.873 ( -3.806 -5.203 6.185) 8.934 19.957 ( 2.580 17.164 -8.877) 19.496 20.322 ( 8.975 -18.597 -9.496) 22.728 23.249 ( -2.771 12.566 5.284) 13.911 23.495 ( -0.512 -11.593 4.057) 12.294 25.007 ( 1.571 4.412 -13.056) 13.870 25.107 ( 2.975 -5.264 -13.115) 14.441 ======================= Grid point 93 (51/125) ======================= q-point: ( 0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -0.147 6.726 0.111) 6.728 1.811 ( 0.143 -1.075 6.136) 6.231 2.055 ( 2.165 4.455 3.599) 6.123 2.167 ( 0.144 -5.758 0.547) 5.785 2.408 ( 2.041 9.553 10.657) 14.457 2.565 ( 0.130 -5.574 6.368) 8.464 2.661 ( 0.814 6.099 1.046) 6.241 2.781 ( 3.282 -1.791 -4.780) 6.069 3.001 ( -4.701 -2.192 2.903) 5.944 3.073 ( -2.913 -9.590 2.051) 10.230 3.311 ( 1.966 1.676 1.037) 2.783 3.365 ( 4.051 -3.228 -0.443) 5.199 3.540 ( 2.688 5.204 7.817) 9.767 3.712 ( 5.561 -10.990 3.733) 12.870 4.270 ( -1.274 5.499 6.466) 8.583 4.302 ( -4.942 4.113 1.387) 6.577 4.535 ( 1.430 10.155 3.772) 10.927 4.694 ( -2.256 -3.488 8.171) 9.167 5.057 ( 12.712 1.081 0.298) 12.762 5.131 ( 9.755 -3.523 1.558) 10.488 5.469 ( -3.885 2.779 0.134) 4.778 5.551 ( -1.818 -5.021 0.606) 5.374 6.150 ( 2.763 5.968 -8.889) 11.057 6.215 ( 2.822 0.609 -10.697) 11.080 6.560 ( 6.962 5.645 7.930) 11.967 6.702 ( 6.254 -6.473 3.383) 9.616 6.824 ( 2.296 1.118 9.272) 9.617 6.842 ( 1.967 -1.334 10.454) 10.721 7.702 ( -8.571 5.842 0.294) 10.377 7.832 ( -6.611 -6.480 1.596) 9.394 8.042 ( -7.971 5.090 2.964) 9.911 8.189 ( -11.260 -8.453 -1.164) 14.128 8.659 ( 2.270 9.132 -7.763) 12.199 8.824 ( 4.854 -5.247 -6.878) 9.920 9.122 ( 4.053 1.825 1.061) 4.570 9.158 ( 1.708 -1.953 -1.367) 2.932 9.483 ( -5.129 3.928 3.919) 7.556 9.582 ( -6.459 -6.226 5.721) 10.640 9.824 ( 7.865 7.141 4.597) 11.575 9.908 ( 11.351 -2.685 1.084) 11.714 10.101 ( 0.676 11.577 2.146) 11.793 10.315 ( -0.620 -8.347 -2.829) 8.835 11.291 ( -9.557 10.709 3.700) 14.822 11.483 ( -9.340 -6.508 3.087) 11.795 11.550 ( -0.882 6.096 2.783) 6.759 11.627 ( -3.087 0.273 0.699) 3.177 11.784 ( -0.491 7.373 -1.734) 7.590 11.952 ( -1.043 -8.233 -1.972) 8.530 12.398 ( -11.012 2.355 -0.901) 11.297 12.472 ( -12.200 -4.138 1.200) 12.939 13.132 ( 16.454 2.927 5.371) 17.554 13.163 ( 17.175 -0.352 0.864) 17.201 14.011 ( -12.055 8.374 8.748) 17.087 14.217 ( -9.161 -9.121 6.657) 14.540 14.410 ( -18.224 5.461 -4.170) 19.477 14.665 ( -16.208 -16.615 -4.940) 23.731 15.805 ( 4.475 5.765 -3.385) 8.045 15.925 ( 5.205 -5.535 0.022) 7.598 16.212 ( 19.855 14.233 -0.940) 24.448 16.484 ( 14.955 -11.263 -2.453) 18.882 16.821 ( -1.683 4.284 9.568) 10.618 16.934 ( 0.301 -6.596 13.710) 15.217 18.046 ( -2.602 4.871 -3.420) 6.495 18.200 ( -0.920 -9.760 -3.154) 10.298 18.628 ( -9.484 6.891 3.356) 12.194 18.772 ( -7.631 -6.936 3.600) 10.923 19.988 ( 3.060 21.028 -7.650) 22.585 20.437 ( 6.266 -22.867 -10.292) 25.847 23.213 ( -2.763 14.738 5.532) 15.982 23.501 ( -0.347 -13.519 4.010) 14.105 24.990 ( 1.346 6.037 -12.897) 14.303 25.120 ( 3.003 -6.617 -12.985) 14.880 ======================= Grid point 94 (52/125) ======================= q-point: ( 0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -1.353 5.612 -0.290) 5.781 1.814 ( -1.782 -3.437 4.864) 6.216 2.099 ( 1.281 2.309 0.798) 2.758 2.162 ( -0.948 -3.005 1.977) 3.720 2.465 ( 0.546 5.212 12.700) 13.739 2.562 ( -3.136 -3.003 12.466) 13.201 2.701 ( 1.123 9.543 3.593) 10.259 2.889 ( 8.124 -0.997 -2.050) 8.438 2.950 ( -0.334 -2.419 -2.478) 3.479 3.040 ( -0.773 -10.002 -0.072) 10.032 3.335 ( -1.018 0.647 6.464) 6.576 3.371 ( -1.904 -2.283 2.006) 3.587 3.713 ( 10.370 5.121 5.659) 12.876 3.850 ( 5.437 -8.396 5.439) 11.386 4.143 ( -7.841 10.386 0.656) 13.030 4.274 ( -2.264 -0.638 6.237) 6.666 4.545 ( -2.811 8.009 6.034) 10.414 4.669 ( -3.033 -5.020 7.238) 9.316 5.241 ( 5.242 0.583 -0.301) 5.283 5.290 ( 4.301 -2.467 -0.847) 5.030 5.413 ( -1.112 5.021 -0.756) 5.198 5.530 ( -0.475 -6.976 0.036) 6.992 6.157 ( 1.643 6.203 -9.581) 11.531 6.221 ( 2.096 0.795 -10.911) 11.139 6.654 ( -1.148 2.456 7.861) 8.315 6.711 ( -5.492 -2.231 7.358) 9.449 6.936 ( 5.746 2.857 6.032) 8.807 6.979 ( 6.113 -1.587 8.226) 10.371 7.577 ( -3.505 5.913 2.384) 7.276 7.688 ( -7.104 -3.413 0.277) 7.886 7.959 ( -4.139 -0.984 3.100) 5.264 8.029 ( -1.835 -8.034 5.809) 10.082 8.697 ( 4.265 9.154 -9.178) 13.646 8.895 ( 4.613 -8.114 -7.541) 11.999 9.167 ( 1.052 2.821 -2.132) 3.690 9.218 ( 3.285 -1.214 1.925) 3.997 9.391 ( -5.296 4.260 3.935) 7.853 9.482 ( -4.869 -4.409 4.757) 8.111 9.929 ( -0.799 13.478 6.330) 14.912 10.093 ( 2.812 -2.171 1.277) 3.775 10.176 ( 7.359 4.899 -0.608) 8.861 10.318 ( 7.175 -8.508 -4.895) 12.158 11.119 ( -8.302 10.446 -2.867) 13.648 11.298 ( -9.436 -5.762 -4.963) 12.118 11.477 ( -4.843 4.754 1.681) 6.991 11.548 ( -5.229 -1.391 3.214) 6.293 11.859 ( 4.195 8.922 5.684) 11.381 12.025 ( 6.207 -6.988 2.690) 9.726 12.200 ( -7.294 1.232 -0.255) 7.402 12.275 ( -6.010 -5.196 2.269) 8.262 13.409 ( 8.712 6.485 4.749) 11.853 13.504 ( 14.279 -2.565 5.435) 15.492 13.784 ( -11.789 8.683 2.359) 14.830 14.001 ( -14.211 -12.401 2.328) 19.004 14.213 ( -2.265 5.286 -3.038) 6.504 14.428 ( -4.960 -15.398 -3.144) 16.480 15.883 ( 4.332 5.795 1.309) 7.353 16.009 ( 3.147 -6.531 3.316) 7.972 16.489 ( 9.144 10.374 -4.014) 14.400 16.642 ( 3.100 -4.409 -5.811) 7.926 16.815 ( -2.755 6.734 9.697) 12.123 16.988 ( -0.432 -9.163 12.310) 15.352 18.031 ( 2.094 4.197 0.656) 4.736 18.193 ( 1.172 -11.006 -0.342) 11.074 18.472 ( -6.816 8.590 1.220) 11.033 18.650 ( -5.386 -8.487 1.074) 10.108 20.004 ( 1.322 22.106 -7.930) 23.523 20.481 ( 2.392 -24.347 -11.691) 27.114 23.191 ( -1.503 16.298 6.011) 17.436 23.509 ( -0.349 -14.842 4.305) 15.458 24.974 ( 1.750 7.379 -13.000) 15.050 25.129 ( 2.584 -7.645 -12.923) 15.236 ======================= Grid point 95 (53/125) ======================= q-point: (-0.43 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.453 4.442 0.032) 4.466 1.795 ( -1.253 -4.006 3.422) 5.415 2.090 ( -2.405 2.963 0.809) 3.901 2.159 ( -0.196 -4.062 2.376) 4.710 2.514 ( -1.718 3.034 13.630) 14.069 2.539 ( -2.633 3.860 10.992) 11.944 2.712 ( -0.342 6.778 1.940) 7.058 2.944 ( 0.302 -8.741 -1.451) 8.866 3.009 ( 2.785 0.494 -2.469) 3.755 3.053 ( 1.818 -6.641 1.604) 7.069 3.315 ( -2.498 2.679 11.085) 11.675 3.368 ( 0.231 -1.578 3.105) 3.491 3.779 ( -7.661 2.968 7.396) 11.054 3.919 ( -0.825 -9.613 8.202) 12.663 4.116 ( 5.437 12.613 -0.543) 13.746 4.282 ( 2.633 0.699 5.797) 6.405 4.499 ( -2.929 6.797 2.623) 7.852 4.610 ( -5.761 -4.552 6.151) 9.578 5.213 ( -9.251 -0.276 -2.147) 9.501 5.236 ( -5.823 -3.094 -1.010) 6.671 5.450 ( 3.444 4.585 0.064) 5.735 5.536 ( 1.034 -4.747 1.260) 5.019 6.150 ( 0.989 7.196 -10.758) 12.980 6.229 ( 2.260 0.599 -10.993) 11.239 6.590 ( -6.531 -1.805 4.154) 7.947 6.599 ( -7.539 -1.545 4.028) 8.686 6.968 ( -4.861 6.225 10.338) 13.010 7.057 ( -2.457 -2.752 9.027) 9.752 7.590 ( 3.791 3.193 -0.073) 4.957 7.659 ( 3.995 -3.543 -2.539) 5.913 7.956 ( 4.640 6.992 7.843) 11.486 8.161 ( 9.577 -11.444 11.942) 19.113 8.729 ( 1.815 8.498 -9.073) 12.563 8.933 ( 1.941 -9.392 -6.251) 11.448 9.149 ( -1.767 7.220 -3.009) 8.019 9.270 ( 2.173 -0.842 1.154) 2.601 9.342 ( -1.695 2.184 4.742) 5.489 9.425 ( -3.271 -4.953 3.351) 6.816 9.884 ( -4.807 10.803 4.587) 12.683 10.000 ( -8.744 -0.953 0.162) 8.798 10.337 ( 6.543 5.291 2.355) 8.738 10.489 ( 6.442 -8.636 2.178) 10.992 10.961 ( -4.609 8.700 -10.351) 14.286 11.107 ( -6.326 -4.752 -13.279) 15.458 11.490 ( 5.649 2.553 3.787) 7.265 11.518 ( 1.604 -0.386 5.496) 5.738 11.888 ( -1.198 9.265 5.196) 10.690 12.042 ( -2.008 -6.485 4.848) 8.342 12.274 ( 10.715 1.003 0.699) 10.785 12.324 ( 7.742 -4.574 2.628) 9.368 13.345 ( -12.245 9.785 3.610) 16.085 13.517 ( -13.922 -5.877 4.951) 15.902 13.736 ( 2.364 4.392 0.165) 4.990 13.929 ( 4.164 -13.309 -1.301) 14.006 14.252 ( 9.714 9.099 -0.758) 13.332 14.489 ( 11.145 -13.923 -0.539) 17.842 15.969 ( 3.023 4.277 5.037) 7.267 16.052 ( -0.742 -3.710 5.186) 6.420 16.487 ( -9.176 9.172 -5.723) 14.180 16.598 ( -3.975 -2.076 -6.918) 8.244 16.781 ( -3.180 4.936 9.191) 10.907 16.958 ( -6.744 -11.203 11.183) 17.206 18.129 ( 6.185 3.666 5.405) 8.995 18.258 ( 5.436 -8.580 2.366) 10.428 18.409 ( 0.787 8.213 -2.149) 8.526 18.589 ( -1.069 -9.170 -1.495) 9.353 19.985 ( -0.121 21.784 -8.860) 23.518 20.451 ( -1.032 -23.678 -12.945) 27.005 23.198 ( 0.029 16.341 6.359) 17.535 23.516 ( -0.513 -14.846 4.672) 15.573 24.969 ( 2.451 7.721 -13.259) 15.538 25.129 ( 2.067 -7.822 -12.974) 15.290 ======================= Grid point 96 (54/125) ======================= q-point: (-0.29 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 1.471 4.514 1.098) 4.873 1.796 ( -0.015 -2.467 3.908) 4.621 2.032 ( -4.443 5.808 5.383) 9.080 2.144 ( -2.601 -4.922 0.896) 5.639 2.483 ( -3.026 6.057 8.654) 10.988 2.534 ( -2.895 2.724 4.856) 6.275 2.705 ( -1.192 2.169 -0.090) 2.476 2.917 ( -3.172 -14.403 -2.302) 14.927 3.030 ( 1.167 0.928 0.535) 1.584 3.061 ( -0.444 -1.201 2.686) 2.975 3.341 ( -0.121 0.019 10.697) 10.698 3.373 ( -1.952 0.147 5.883) 6.200 3.643 ( -7.581 4.900 9.202) 12.891 3.870 ( -5.458 -14.616 8.396) 17.718 4.192 ( 1.021 16.626 2.233) 16.807 4.416 ( 1.677 12.633 2.585) 13.003 4.454 ( 3.074 -5.162 -3.986) 7.210 4.528 ( -3.503 -1.786 8.442) 9.313 4.977 ( -12.836 2.055 -1.828) 13.128 5.086 ( -8.790 -8.261 0.429) 12.071 5.520 ( 3.565 4.086 1.949) 5.762 5.579 ( 2.400 -2.142 4.123) 5.230 6.110 ( -1.293 7.989 -11.927) 14.414 6.208 ( -0.619 0.488 -11.482) 11.509 6.475 ( -6.230 -3.044 0.612) 6.961 6.482 ( -5.253 -3.659 1.864) 6.667 6.891 ( -6.414 5.317 12.117) 14.705 6.970 ( -8.412 -2.948 10.686) 13.916 7.706 ( 7.526 1.375 -1.601) 7.817 7.749 ( 6.237 -3.361 -2.268) 7.439 8.139 ( 8.807 11.387 9.930) 17.488 8.377 ( 6.828 -10.678 9.994) 16.141 8.707 ( -0.169 10.350 -6.873) 12.426 8.939 ( 1.099 -10.975 -5.202) 12.195 9.110 ( -0.710 11.313 -3.634) 11.904 9.305 ( 0.758 -2.560 -1.316) 2.977 9.330 ( -2.625 -1.604 6.699) 7.371 9.374 ( -1.938 -1.184 1.242) 2.589 9.801 ( -4.641 3.771 4.604) 7.547 9.832 ( -7.987 0.528 0.958) 8.062 10.353 ( -6.743 5.956 7.957) 12.011 10.499 ( -5.922 -7.802 2.413) 10.088 10.958 ( 8.085 6.067 -11.430) 15.259 11.066 ( 7.886 -3.595 -12.662) 15.344 11.606 ( 5.820 3.653 3.759) 7.832 11.655 ( 6.299 -1.212 5.600) 8.515 11.946 ( 6.071 8.611 6.381) 12.317 12.074 ( 3.390 -3.864 3.759) 6.367 12.443 ( 5.335 0.055 -1.325) 5.497 12.473 ( 6.262 -3.378 -1.056) 7.193 13.141 ( -10.595 6.501 6.517) 14.035 13.252 ( -14.730 -3.871 4.607) 15.912 13.790 ( 7.081 6.511 -2.304) 9.892 14.025 ( 9.333 -15.039 -1.526) 17.765 14.552 ( 18.560 8.373 2.250) 20.485 14.760 ( 15.073 -11.670 0.314) 19.065 15.960 ( -9.676 7.733 -0.087) 12.386 16.020 ( -2.289 -0.364 6.368) 6.777 16.196 ( -16.236 6.540 -1.273) 17.550 16.401 ( -14.682 -10.070 -7.540) 19.334 16.768 ( -1.875 2.778 9.471) 10.046 16.882 ( -3.985 -8.015 12.100) 15.051 18.236 ( 2.099 6.170 5.377) 8.450 18.378 ( 4.387 -7.084 4.475) 9.458 18.502 ( 9.465 3.406 -2.557) 10.379 18.600 ( 3.725 -6.295 -4.115) 8.392 19.953 ( 0.326 19.301 -9.367) 21.457 20.360 ( -3.725 -20.567 -13.517) 24.891 23.229 ( 0.785 14.858 6.300) 16.158 23.518 ( -1.076 -13.532 4.824) 14.406 24.978 ( 3.231 6.847 -13.482) 15.462 25.121 ( 1.739 -7.068 -13.070) 14.960 ======================= Grid point 97 (55/125) ======================= q-point: (-0.14 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -0.675 7.331 1.050) 7.437 1.809 ( -0.700 -0.233 4.922) 4.977 1.979 ( -3.371 6.638 9.161) 11.805 2.080 ( -3.190 -1.489 1.006) 3.661 2.431 ( -6.520 4.785 7.140) 10.788 2.495 ( -0.930 -2.473 -1.503) 3.040 2.686 ( 0.878 1.145 -1.610) 2.162 2.828 ( -3.868 -10.772 -3.758) 12.046 3.081 ( 2.754 -2.184 2.428) 4.272 3.088 ( 2.599 -2.396 2.296) 4.215 3.311 ( -5.062 2.441 4.384) 7.127 3.350 ( -4.116 -3.683 11.358) 12.630 3.575 ( -3.301 4.134 8.619) 10.113 3.795 ( -5.306 -14.638 6.308) 16.799 4.191 ( -1.559 16.351 2.136) 16.563 4.320 ( -4.961 3.911 -3.689) 7.316 4.473 ( -0.343 12.697 2.951) 13.039 4.640 ( 6.076 -3.892 4.357) 8.429 4.783 ( -6.613 2.416 0.316) 7.048 4.958 ( -4.629 -11.996 2.901) 13.181 5.587 ( 2.058 4.128 3.565) 5.830 5.633 ( 0.661 -0.590 6.418) 6.479 6.042 ( -0.493 7.317 -11.940) 14.012 6.144 ( -1.156 -0.101 -11.373) 11.432 6.380 ( -3.587 -2.224 -0.287) 4.231 6.417 ( -1.828 -4.910 0.489) 5.262 6.825 ( -4.656 2.630 11.195) 12.406 6.856 ( -6.807 -0.974 10.132) 12.245 7.825 ( 4.950 0.978 0.265) 5.052 7.870 ( 6.142 -3.757 0.283) 7.206 8.295 ( 4.174 8.434 7.806) 12.226 8.422 ( -3.432 -3.463 3.382) 5.934 8.716 ( 1.892 9.126 -2.703) 9.704 8.931 ( -0.003 -10.859 -9.248) 14.263 9.096 ( -0.408 11.575 -2.505) 11.850 9.241 ( -3.906 -2.070 -2.118) 4.901 9.339 ( 0.624 -1.012 6.108) 6.223 9.371 ( 0.014 -2.644 5.643) 6.231 9.746 ( -1.315 2.565 3.270) 4.360 9.777 ( 0.480 -2.249 1.983) 3.037 10.221 ( -7.969 5.712 5.521) 11.252 10.353 ( -8.594 -7.010 3.634) 11.671 11.124 ( 10.824 6.168 -5.409) 13.581 11.242 ( 11.810 -4.546 -5.738) 13.895 11.693 ( 1.598 4.830 0.717) 5.138 11.744 ( 1.340 0.037 3.684) 3.920 12.108 ( 7.248 7.255 6.643) 12.219 12.176 ( 5.405 1.139 4.450) 7.093 12.444 ( -3.950 1.875 -2.377) 4.977 12.545 ( 3.106 -7.515 -3.321) 8.783 12.966 ( -10.797 1.221 3.051) 11.286 13.004 ( -11.129 -1.380 1.771) 11.353 14.079 ( 22.831 8.960 1.534) 24.574 14.304 ( 17.782 -11.802 3.028) 21.556 14.877 ( 12.889 1.512 1.902) 13.116 14.946 ( 1.290 -4.162 0.624) 4.401 15.699 ( -10.347 12.632 -4.505) 16.939 15.895 ( -14.058 -3.915 -0.985) 14.626 15.972 ( -8.223 -0.162 4.438) 9.345 16.089 ( -12.764 -11.869 -4.659) 18.041 16.775 ( -0.940 3.348 10.621) 11.176 16.876 ( -1.895 -5.931 12.955) 14.374 18.253 ( -0.825 6.141 0.100) 6.197 18.402 ( -2.239 -8.069 -0.899) 8.422 18.690 ( 9.279 1.032 1.405) 9.441 18.711 ( 7.394 -1.187 1.337) 7.607 19.948 ( 2.543 13.531 -9.386) 16.663 20.240 ( -3.346 -15.001 -12.895) 20.062 23.262 ( 0.259 12.695 5.884) 13.994 23.508 ( -1.568 -11.617 4.695) 12.627 24.997 ( 3.521 5.150 -13.545) 14.913 25.109 ( 1.736 -5.729 -13.135) 14.435 ======================= Grid point 126 (56/125) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 13.887 0.000 20.711) 24.936 1.247 ( -6.265 0.000 30.625) 31.259 1.593 ( -3.096 0.000 -1.707) 3.536 2.151 ( -15.819 0.000 23.668) 28.467 2.276 ( 3.065 0.000 2.232) 3.792 2.441 ( -0.910 0.000 45.232) 45.241 2.698 ( -0.768 0.000 -2.992) 3.089 2.799 ( 0.902 0.000 2.193) 2.371 3.071 ( 3.193 0.000 -16.296) 16.606 3.336 ( -0.665 0.000 -4.673) 4.720 3.387 ( 2.934 0.000 -5.136) 5.915 3.964 ( -9.754 0.000 23.263) 25.225 4.108 ( 1.209 0.000 12.926) 12.983 4.214 ( 11.003 0.000 15.701) 19.173 4.316 ( -6.679 0.000 -7.038) 9.702 4.317 ( -2.552 0.000 3.620) 4.429 4.426 ( -2.389 0.000 -7.186) 7.572 4.552 ( -3.934 0.000 6.369) 7.486 4.766 ( -0.494 0.000 -3.666) 3.699 5.158 ( -0.151 0.000 -14.472) 14.473 5.280 ( 4.516 0.000 -18.938) 19.469 5.408 ( 1.644 0.000 -7.791) 7.963 5.606 ( -6.181 0.000 8.038) 10.140 5.673 ( 10.409 0.000 -2.222) 10.644 6.217 ( -1.176 0.000 2.968) 3.192 6.529 ( 0.872 0.000 -1.502) 1.737 7.173 ( 11.240 0.000 4.536) 12.121 7.214 ( -0.026 0.000 3.496) 3.496 7.830 ( 1.457 0.000 -2.256) 2.685 7.999 ( 1.831 0.000 -4.410) 4.775 8.036 ( 3.292 0.000 -4.235) 5.364 8.105 ( -6.821 0.000 -2.946) 7.430 8.304 ( -2.131 0.000 0.253) 2.146 8.375 ( 2.460 0.000 -1.833) 3.067 8.975 ( 5.105 0.000 7.458) 9.038 9.253 ( -7.749 0.000 19.579) 21.057 9.432 ( -2.038 0.000 -1.143) 2.337 9.565 ( 3.806 0.000 -5.019) 6.299 9.623 ( -0.343 0.000 1.559) 1.596 9.862 ( 0.016 0.000 -1.472) 1.472 10.167 ( 5.891 0.000 -7.365) 9.431 10.565 ( 10.142 0.000 -20.514) 22.884 10.822 ( -0.351 0.000 9.797) 9.804 11.313 ( -18.588 0.000 8.785) 20.559 11.426 ( -15.306 0.000 -6.030) 16.451 11.582 ( 0.131 0.000 0.229) 0.264 11.629 ( -1.534 0.000 8.046) 8.191 12.128 ( 8.556 0.000 -1.691) 8.722 12.678 ( 6.865 0.000 -2.462) 7.293 12.924 ( -34.181 0.000 5.484) 34.618 12.997 ( 2.872 0.000 2.266) 3.658 13.179 ( -1.787 0.000 4.820) 5.140 13.600 ( 2.205 0.000 -4.687) 5.180 13.686 ( -7.689 0.000 -6.645) 10.162 14.972 ( 15.813 0.000 3.311) 16.156 15.030 ( 7.151 0.000 4.913) 8.676 15.702 ( 5.239 0.000 1.468) 5.441 15.932 ( -6.496 0.000 -7.759) 10.119 16.063 ( -0.823 0.000 12.335) 12.362 16.673 ( 4.337 0.000 -5.649) 7.122 17.197 ( -9.040 0.000 12.000) 15.024 17.794 ( 6.691 0.000 -0.113) 6.692 18.363 ( 6.787 0.000 -1.397) 6.929 18.389 ( -9.058 0.000 -6.901) 11.387 18.889 ( -6.407 0.000 7.759) 10.062 19.349 ( 6.509 0.000 19.405) 20.468 19.387 ( -10.628 0.000 -8.029) 13.320 20.916 ( 12.302 0.000 -31.935) 34.223 23.176 ( -1.148 0.000 27.111) 27.136 24.100 ( -0.954 0.000 8.844) 8.895 24.432 ( 5.579 0.000 -16.326) 17.253 25.073 ( 2.239 0.000 -18.830) 18.963 ======================= Grid point 127 (57/125) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -8.554 0.000 18.500) 20.382 1.388 ( 22.037 0.000 16.576) 27.576 1.697 ( 9.730 0.000 7.356) 12.198 1.947 ( -11.655 0.000 17.555) 21.072 2.356 ( 4.240 0.000 4.047) 5.861 2.632 ( 0.386 0.000 8.576) 8.585 2.711 ( 7.217 0.000 35.365) 36.094 2.821 ( 0.742 0.000 3.267) 3.350 3.043 ( 2.182 0.000 -19.769) 19.889 3.416 ( 0.009 0.000 -3.733) 3.733 3.441 ( 8.805 0.000 -0.297) 8.810 3.833 ( -12.098 0.000 23.434) 26.373 4.135 ( -3.865 0.000 12.874) 13.442 4.168 ( -2.694 0.000 -12.945) 13.222 4.233 ( -6.637 0.000 0.538) 6.659 4.277 ( -5.092 0.000 13.867) 14.772 4.280 ( -9.201 0.000 -4.272) 10.145 4.658 ( 7.538 0.000 11.743) 13.954 4.848 ( 7.408 0.000 -1.551) 7.568 5.112 ( 1.725 0.000 -18.077) 18.159 5.312 ( 5.235 0.000 -17.443) 18.212 5.438 ( 4.292 0.000 -9.121) 10.080 5.473 ( -9.394 0.000 5.902) 11.094 5.853 ( 7.722 0.000 -2.175) 8.023 6.269 ( 4.153 0.000 8.022) 9.033 6.605 ( 7.713 0.000 -2.710) 8.175 7.231 ( 0.083 0.000 4.260) 4.261 7.323 ( 2.527 0.000 2.663) 3.671 7.822 ( -8.101 0.000 -1.805) 8.299 7.917 ( -0.999 0.000 -10.800) 10.847 7.930 ( -4.691 0.000 -6.309) 7.862 8.114 ( 3.069 0.000 0.601) 3.127 8.244 ( -3.500 0.000 -1.799) 3.935 8.436 ( 2.611 0.000 -0.604) 2.680 9.008 ( -11.543 0.000 15.703) 19.489 9.175 ( 1.458 0.000 7.953) 8.086 9.352 ( -4.310 0.000 -6.432) 7.743 9.626 ( 3.434 0.000 -4.129) 5.371 9.696 ( 5.204 0.000 -0.814) 5.268 9.897 ( 3.691 0.000 3.317) 4.962 10.090 ( -9.303 0.000 -3.011) 9.778 10.418 ( -27.474 0.000 25.048) 37.178 10.637 ( 3.601 0.000 -21.818) 22.113 11.037 ( -18.738 0.000 -7.050) 20.020 11.376 ( 8.895 0.000 14.472) 16.988 11.582 ( -6.218 0.000 6.532) 9.018 11.662 ( 5.221 0.000 2.324) 5.715 12.279 ( 8.098 0.000 -5.824) 9.975 12.652 ( -2.707 0.000 4.356) 5.128 12.757 ( -0.330 0.000 1.345) 1.385 13.087 ( 5.838 0.000 4.077) 7.121 13.287 ( 11.864 0.000 7.270) 13.914 13.494 ( -9.034 0.000 -2.575) 9.394 13.706 ( 9.784 0.000 -3.411) 10.361 15.164 ( 4.462 0.000 -1.684) 4.769 15.268 ( 16.050 0.000 1.016) 16.083 15.727 ( -11.369 0.000 -8.838) 14.400 15.848 ( 4.902 0.000 -3.435) 5.986 16.049 ( -0.672 0.000 14.093) 14.109 16.703 ( 0.305 0.000 -7.754) 7.760 17.053 ( -9.817 0.000 10.324) 14.247 17.933 ( 6.246 0.000 4.785) 7.868 18.204 ( -5.615 0.000 -9.914) 11.394 18.523 ( 8.466 0.000 1.271) 8.561 18.737 ( -11.689 0.000 8.769) 14.612 19.004 ( -23.627 0.000 3.871) 23.942 19.558 ( 7.023 0.000 17.984) 19.307 21.046 ( 12.292 0.000 -36.419) 38.437 23.052 ( -16.944 0.000 26.518) 31.469 24.180 ( 4.065 0.000 6.478) 7.647 24.451 ( 2.150 0.000 -16.588) 16.727 25.062 ( 3.554 0.000 -19.050) 19.378 ======================= Grid point 128 (58/125) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -2.015 0.000 17.577) 17.692 1.716 ( 0.520 0.000 16.761) 16.769 1.926 ( 10.451 0.000 8.936) 13.751 1.934 ( 9.982 0.000 13.986) 17.183 2.472 ( 6.963 0.000 3.869) 7.966 2.614 ( -0.034 0.000 -5.436) 5.436 2.819 ( -3.178 0.000 3.245) 4.542 2.996 ( 1.102 0.000 4.241) 4.382 3.103 ( 15.232 0.000 15.291) 21.584 3.315 ( -9.452 0.000 -3.120) 9.954 3.517 ( -5.294 0.000 2.213) 5.738 3.728 ( -4.914 0.000 17.903) 18.565 3.988 ( -13.499 0.000 18.831) 23.169 4.152 ( -0.702 0.000 -5.376) 5.421 4.170 ( 6.333 0.000 -10.068) 11.894 4.173 ( -1.328 0.000 2.151) 2.528 4.234 ( -4.231 0.000 14.419) 15.027 4.800 ( 2.959 0.000 13.634) 13.952 4.947 ( 3.869 0.000 -7.699) 8.616 5.126 ( 5.562 0.000 -13.880) 14.953 5.341 ( 3.267 0.000 -14.984) 15.336 5.342 ( -5.527 0.000 6.211) 8.314 5.492 ( 4.248 0.000 -10.730) 11.540 5.921 ( 1.296 0.000 -6.567) 6.694 6.393 ( 4.411 0.000 13.290) 14.003 6.778 ( 10.625 0.000 -3.072) 11.061 7.231 ( -15.403 0.000 9.742) 18.225 7.233 ( -1.973 0.000 6.480) 6.774 7.641 ( -4.266 0.000 -4.128) 5.936 7.808 ( -5.246 0.000 -6.657) 8.475 7.961 ( 5.969 0.000 -14.193) 15.397 8.122 ( -2.165 0.000 -1.592) 2.687 8.206 ( 0.369 0.000 0.594) 0.699 8.465 ( 0.893 0.000 -0.855) 1.236 8.816 ( -10.951 0.000 17.336) 20.505 9.261 ( -1.881 0.000 -8.973) 9.168 9.268 ( 3.056 0.000 9.636) 10.108 9.614 ( -10.463 0.000 -6.906) 12.537 9.642 ( -0.180 0.000 -5.362) 5.365 10.003 ( 5.394 0.000 2.642) 6.006 10.011 ( -2.700 0.000 -3.934) 4.772 10.235 ( -0.310 0.000 29.510) 29.512 10.418 ( -16.550 0.000 -17.137) 23.824 10.899 ( 5.846 0.000 -9.624) 11.260 11.391 ( -9.081 0.000 9.292) 12.993 11.636 ( 6.272 0.000 14.812) 16.085 11.753 ( 3.088 0.000 3.202) 4.448 12.371 ( 4.276 0.000 -11.122) 11.916 12.669 ( 2.491 0.000 -2.440) 3.487 12.705 ( -4.443 0.000 3.776) 5.831 13.241 ( 8.513 0.000 4.363) 9.566 13.315 ( -6.496 0.000 5.319) 8.396 13.643 ( 16.558 0.000 6.902) 17.939 13.917 ( 13.172 0.000 -3.183) 13.552 15.159 ( -5.163 0.000 1.844) 5.482 15.473 ( -8.792 0.000 -13.423) 16.046 15.625 ( 18.993 0.000 2.320) 19.134 15.735 ( -9.725 0.000 -1.757) 9.883 16.245 ( 12.093 0.000 7.343) 14.148 16.599 ( -8.552 0.000 -10.200) 13.311 16.915 ( -8.094 0.000 12.059) 14.524 18.028 ( 2.524 0.000 7.311) 7.734 18.177 ( 5.657 0.000 -8.194) 9.957 18.522 ( -13.664 0.000 7.067) 15.383 18.549 ( -13.150 0.000 13.218) 18.645 18.738 ( 0.395 0.000 -2.391) 2.424 19.698 ( 1.259 0.000 16.521) 16.569 21.119 ( 8.289 0.000 -34.601) 35.580 22.832 ( -14.981 0.000 27.348) 31.183 24.256 ( 1.982 0.000 5.089) 5.461 24.407 ( -0.095 0.000 -19.101) 19.101 25.077 ( 4.542 0.000 -18.394) 18.947 ======================= Grid point 129 (59/125) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.144 0.000 20.233) 20.234 1.687 ( -5.879 0.000 14.186) 15.356 2.115 ( 5.315 0.000 11.520) 12.687 2.227 ( 12.053 0.000 14.796) 19.084 2.596 ( -0.461 0.000 -3.695) 3.724 2.600 ( 2.316 0.000 -3.070) 3.846 2.738 ( -3.773 0.000 0.876) 3.873 2.973 ( -1.068 0.000 -6.456) 6.544 3.100 ( -9.388 0.000 -0.180) 9.390 3.323 ( -13.023 0.000 3.630) 13.519 3.461 ( 11.337 0.000 16.806) 20.272 3.575 ( -14.346 0.000 11.147) 18.168 3.917 ( -4.448 0.000 28.259) 28.607 4.171 ( 0.253 0.000 2.290) 2.304 4.210 ( 7.898 0.000 -6.475) 10.213 4.224 ( -2.444 0.000 16.857) 17.033 4.298 ( 8.101 0.000 -3.789) 8.943 4.869 ( -0.252 0.000 12.096) 12.099 4.968 ( 3.233 0.000 -14.246) 14.608 5.190 ( 4.017 0.000 -7.066) 8.128 5.331 ( 1.241 0.000 -15.123) 15.174 5.335 ( 2.584 0.000 7.348) 7.789 5.497 ( -0.129 0.000 -10.853) 10.853 5.879 ( -1.885 0.000 -11.888) 12.037 6.504 ( 1.765 0.000 15.880) 15.977 6.898 ( -21.194 0.000 13.471) 25.112 6.936 ( 5.862 0.000 -2.550) 6.393 7.203 ( -3.503 0.000 8.927) 9.590 7.620 ( 1.789 0.000 -1.652) 2.435 7.719 ( -0.937 0.000 -8.483) 8.535 8.012 ( 4.093 0.000 -13.602) 14.204 8.066 ( -2.183 0.000 -4.457) 4.963 8.223 ( 0.167 0.000 3.029) 3.033 8.447 ( -2.598 0.000 -0.472) 2.640 8.779 ( 1.379 0.000 16.006) 16.066 9.235 ( 2.630 0.000 -9.907) 10.250 9.327 ( -2.776 0.000 10.653) 11.008 9.399 ( -7.498 0.000 -7.423) 10.551 9.597 ( -1.684 0.000 -6.691) 6.900 9.868 ( -7.769 0.000 -3.120) 8.372 10.090 ( -1.850 0.000 -11.128) 11.280 10.103 ( -4.261 0.000 -3.738) 5.668 10.494 ( 13.497 0.000 23.847) 27.401 11.045 ( 10.817 0.000 -5.756) 12.253 11.240 ( -9.728 0.000 6.993) 11.980 11.790 ( 4.517 0.000 14.900) 15.569 11.799 ( 1.348 0.000 0.989) 1.672 12.346 ( -2.767 0.000 -11.848) 12.167 12.667 ( -0.165 0.000 2.185) 2.191 12.717 ( 3.644 0.000 -2.908) 4.662 13.247 ( -3.673 0.000 8.216) 9.000 13.419 ( 8.596 0.000 3.692) 9.355 13.894 ( 6.212 0.000 6.321) 8.863 14.157 ( 13.166 0.000 -4.655) 13.964 14.953 ( -17.744 0.000 6.540) 18.911 15.310 ( -3.020 0.000 -9.355) 9.830 15.621 ( -0.909 0.000 0.450) 1.015 16.004 ( 19.398 0.000 -2.825) 19.603 16.330 ( -14.873 0.000 -9.815) 17.820 16.410 ( 2.122 0.000 -6.792) 7.116 16.901 ( 2.487 0.000 24.755) 24.880 18.122 ( 2.413 0.000 3.876) 4.566 18.284 ( 3.248 0.000 -2.098) 3.867 18.305 ( -4.891 0.000 5.980) 7.725 18.369 ( -8.003 0.000 14.186) 16.288 18.750 ( -0.808 0.000 -4.398) 4.471 19.715 ( -4.804 0.000 14.749) 15.511 21.127 ( 4.543 0.000 -32.143) 32.462 22.686 ( -10.173 0.000 27.241) 29.079 24.293 ( 0.256 0.000 4.683) 4.690 24.338 ( 0.555 0.000 -21.454) 21.461 25.101 ( 4.355 0.000 -17.735) 18.262 ======================= Grid point 130 (60/125) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -3.418 0.000 23.798) 24.042 1.580 ( -10.867 0.000 8.192) 13.609 2.176 ( -3.907 0.000 12.907) 13.485 2.457 ( 6.746 0.000 15.947) 17.315 2.557 ( 0.769 0.000 -7.897) 7.935 2.561 ( -4.785 0.000 9.954) 11.044 2.584 ( -13.287 0.000 -5.051) 14.214 2.904 ( -6.636 0.000 2.674) 7.154 3.067 ( -15.437 0.000 8.487) 17.617 3.121 ( 8.544 0.000 4.895) 9.847 3.319 ( -5.422 0.000 -3.193) 6.292 3.738 ( 7.954 0.000 8.756) 11.829 3.929 ( -3.445 0.000 25.415) 25.647 4.195 ( 0.232 0.000 7.098) 7.102 4.231 ( -3.253 0.000 16.149) 16.474 4.332 ( 4.209 0.000 -3.674) 5.587 4.419 ( 6.951 0.000 -3.491) 7.778 4.872 ( -3.360 0.000 9.490) 10.068 4.984 ( 3.595 0.000 -16.314) 16.705 5.213 ( 0.142 0.000 -2.366) 2.370 5.294 ( 0.018 0.000 -13.526) 13.526 5.435 ( -0.829 0.000 -13.164) 13.190 5.461 ( 6.953 0.000 6.392) 9.445 5.781 ( -3.576 0.000 -14.590) 15.022 6.521 ( -7.967 0.000 8.796) 11.868 6.639 ( -8.212 0.000 25.511) 26.800 6.931 ( -5.946 0.000 -1.160) 6.058 7.201 ( 0.487 0.000 7.916) 7.931 7.679 ( 4.461 0.000 0.579) 4.498 7.713 ( 2.852 0.000 -8.480) 8.947 8.012 ( -0.203 0.000 -8.642) 8.644 8.020 ( -0.290 0.000 -7.127) 7.133 8.237 ( 0.736 0.000 3.709) 3.781 8.419 ( 1.098 0.000 -0.063) 1.099 8.932 ( 7.051 0.000 15.759) 17.265 9.147 ( -8.446 0.000 -7.281) 11.151 9.287 ( 5.850 0.000 -9.628) 11.266 9.377 ( -2.046 0.000 11.568) 11.747 9.556 ( -0.656 0.000 -4.044) 4.097 9.745 ( -3.699 0.000 -4.191) 5.590 9.931 ( -3.217 0.000 -10.718) 11.190 10.177 ( 5.862 0.000 -6.700) 8.903 10.834 ( 13.472 0.000 21.218) 25.134 11.069 ( -10.179 0.000 4.013) 10.942 11.233 ( 10.035 0.000 -2.166) 10.266 11.831 ( 2.966 0.000 -3.154) 4.329 11.899 ( 1.562 0.000 13.496) 13.587 12.218 ( -6.853 0.000 -7.401) 10.086 12.684 ( 1.124 0.000 -3.504) 3.680 12.787 ( 4.599 0.000 -2.125) 5.067 13.212 ( -3.002 0.000 8.141) 8.677 13.581 ( 7.508 0.000 1.650) 7.687 13.921 ( -3.950 0.000 5.023) 6.390 14.346 ( 7.000 0.000 -8.450) 10.973 14.621 ( -16.995 0.000 10.609) 20.034 15.279 ( 0.005 0.000 -5.816) 5.816 15.675 ( 4.338 0.000 5.566) 7.057 16.008 ( -10.258 0.000 -9.633) 14.072 16.282 ( -9.865 0.000 -14.232) 17.317 16.338 ( 13.646 0.000 -2.651) 13.901 17.130 ( 8.647 0.000 27.904) 29.213 17.972 ( -11.864 0.000 -1.902) 12.016 18.378 ( 4.526 0.000 14.730) 15.409 18.382 ( 8.036 0.000 6.165) 10.128 18.437 ( 8.580 0.000 2.808) 9.028 18.663 ( -5.812 0.000 -6.125) 8.443 19.626 ( -9.553 0.000 13.790) 16.776 21.078 ( 1.497 0.000 -29.720) 29.757 22.633 ( -5.487 0.000 29.049) 29.563 24.297 ( 3.078 0.000 -22.010) 22.224 24.298 ( -1.451 0.000 4.249) 4.490 25.117 ( 3.529 0.000 -17.517) 17.869 ======================= Grid point 131 (61/125) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -6.602 0.000 27.989) 28.757 1.293 ( -21.426 0.000 3.710) 21.745 2.064 ( -11.564 0.000 6.375) 13.205 2.323 ( -9.631 0.000 -2.914) 10.062 2.468 ( -13.802 0.000 37.993) 40.423 2.560 ( -4.660 0.000 19.661) 20.206 2.623 ( 6.872 0.000 -4.469) 8.197 2.724 ( -8.217 0.000 3.790) 9.049 2.934 ( 1.065 0.000 -5.154) 5.263 3.298 ( 6.860 0.000 2.635) 7.349 3.378 ( 10.968 0.000 -2.298) 11.206 3.803 ( -2.298 0.000 1.064) 2.533 3.981 ( 0.219 0.000 20.000) 20.001 4.155 ( -8.644 0.000 20.461) 22.212 4.266 ( 2.319 0.000 6.190) 6.610 4.326 ( -1.724 0.000 -1.169) 2.083 4.537 ( 5.700 0.000 -6.585) 8.709 4.801 ( -6.923 0.000 6.357) 9.399 4.956 ( -1.021 0.000 -17.840) 17.869 5.206 ( 0.498 0.000 0.003) 0.498 5.240 ( -1.060 0.000 -9.837) 9.894 5.416 ( 3.329 0.000 -13.763) 14.160 5.590 ( 3.876 0.000 5.369) 6.622 5.656 ( -4.086 0.000 -14.946) 15.494 6.385 ( -7.301 0.000 8.464) 11.178 6.688 ( 2.411 0.000 26.684) 26.793 6.759 ( -10.429 0.000 -0.630) 10.448 7.228 ( -0.804 0.000 5.566) 5.624 7.768 ( 5.915 0.000 -6.087) 8.488 7.780 ( 5.077 0.000 0.638) 5.117 7.975 ( -0.553 0.000 0.722) 0.910 8.014 ( 2.359 0.000 -8.743) 9.056 8.280 ( 2.089 0.000 3.420) 4.008 8.475 ( 3.675 0.000 -4.850) 6.085 8.902 ( -7.481 0.000 4.621) 8.793 9.266 ( 9.978 0.000 11.945) 15.564 9.369 ( 5.379 0.000 -7.167) 8.961 9.382 ( 4.064 0.000 13.625) 14.218 9.537 ( -0.680 0.000 -0.500) 0.844 9.701 ( 0.382 0.000 -5.864) 5.876 9.885 ( 1.126 0.000 -9.125) 9.194 10.277 ( 8.510 0.000 -12.680) 15.271 10.871 ( -9.567 0.000 0.994) 9.618 11.146 ( 10.605 0.000 19.180) 21.917 11.396 ( 7.834 0.000 -2.080) 8.105 11.892 ( 5.130 0.000 -9.161) 10.500 11.921 ( -4.155 0.000 11.440) 12.171 12.036 ( -11.088 0.000 0.820) 11.118 12.659 ( -1.974 0.000 -6.739) 7.022 12.868 ( 4.533 0.000 -1.734) 4.854 13.209 ( 0.267 0.000 5.602) 5.608 13.678 ( 1.584 0.000 -4.915) 5.164 13.842 ( -4.570 0.000 3.327) 5.653 14.266 ( -8.308 0.000 -5.231) 9.818 14.515 ( -2.303 0.000 6.209) 6.622 15.173 ( -9.586 0.000 -2.277) 9.852 15.784 ( 3.040 0.000 7.886) 8.452 15.929 ( 3.880 0.000 -5.893) 7.056 16.002 ( -12.342 0.000 -10.834) 16.423 16.524 ( 7.272 0.000 -4.290) 8.443 17.307 ( 0.402 0.000 20.319) 20.323 17.778 ( -6.681 0.000 -4.039) 7.807 18.448 ( -6.752 0.000 -4.902) 8.344 18.520 ( 4.175 0.000 2.766) 5.008 18.634 ( 10.472 0.000 5.534) 11.844 18.747 ( 22.159 0.000 12.666) 25.523 19.463 ( -12.325 0.000 14.720) 19.198 20.986 ( -0.966 0.000 -26.772) 26.789 22.689 ( 0.827 0.000 34.316) 34.325 24.263 ( -3.835 0.000 3.802) 5.401 24.309 ( 5.800 0.000 -20.680) 21.478 25.115 ( 2.604 0.000 -17.669) 17.860 ======================= Grid point 132 (62/125) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -16.637 0.000 12.503) 20.811 1.207 ( -3.698 0.000 31.672) 31.888 1.801 ( -15.169 0.000 -0.040) 15.169 2.239 ( -0.203 0.000 0.099) 0.226 2.325 ( -16.351 0.000 50.887) 53.449 2.443 ( -9.498 0.000 17.354) 19.783 2.699 ( 1.237 0.000 -2.546) 2.830 2.740 ( 5.315 0.000 -0.009) 5.315 3.000 ( 6.703 0.000 -8.052) 10.476 3.369 ( 1.281 0.000 -2.423) 2.741 3.493 ( -5.251 0.000 -13.144) 14.154 3.844 ( 13.256 0.000 12.457) 18.190 4.044 ( -2.845 0.000 20.880) 21.073 4.071 ( -5.223 0.000 21.666) 22.286 4.319 ( 0.804 0.000 4.755) 4.823 4.329 ( 2.676 0.000 -0.255) 2.688 4.532 ( -3.874 0.000 -8.688) 9.512 4.670 ( -8.405 0.000 4.913) 9.736 4.855 ( -3.160 0.000 -14.495) 14.836 5.198 ( 0.242 0.000 -11.214) 11.216 5.244 ( 3.551 0.000 -3.119) 4.726 5.429 ( 1.299 0.000 -12.148) 12.217 5.564 ( 1.531 0.000 -11.394) 11.496 5.641 ( -0.794 0.000 8.072) 8.111 6.281 ( -5.838 0.000 3.396) 6.754 6.587 ( -6.548 0.000 -0.565) 6.573 6.907 ( 11.508 0.000 17.972) 21.340 7.216 ( -1.490 0.000 3.856) 4.133 7.823 ( 0.309 0.000 -1.152) 1.193 7.887 ( 7.806 0.000 -3.331) 8.488 8.033 ( 2.226 0.000 -8.720) 9.000 8.059 ( 6.938 0.000 5.562) 8.892 8.317 ( 0.348 0.000 2.347) 2.373 8.444 ( -4.741 0.000 -6.833) 8.317 8.874 ( 2.429 0.000 5.461) 5.977 9.287 ( -5.164 0.000 21.951) 22.550 9.430 ( 2.444 0.000 -1.811) 3.042 9.533 ( 1.082 0.000 -2.841) 3.040 9.655 ( -0.639 0.000 4.258) 4.305 9.838 ( 25.742 0.000 -0.730) 25.752 9.878 ( 0.298 0.000 -5.870) 5.877 10.417 ( 11.619 0.000 -17.894) 21.335 10.742 ( -2.320 0.000 0.397) 2.353 11.374 ( 6.757 0.000 15.180) 16.616 11.494 ( 3.408 0.000 -5.045) 6.088 11.779 ( -12.778 0.000 -3.733) 13.312 11.799 ( -12.955 0.000 8.386) 15.432 11.997 ( 5.158 0.000 0.547) 5.187 12.611 ( 0.779 0.000 -5.411) 5.466 12.940 ( 3.371 0.000 -0.590) 3.422 13.219 ( -1.920 0.000 3.548) 4.034 13.592 ( -8.721 0.000 -8.955) 12.500 13.789 ( -2.069 0.000 -2.895) 3.559 13.839 ( -35.439 0.000 -18.398) 39.930 14.629 ( 13.114 0.000 15.608) 20.386 15.004 ( -5.863 0.000 3.181) 6.670 15.700 ( -5.247 0.000 -3.171) 6.131 15.980 ( 3.836 0.000 12.904) 13.462 15.995 ( 2.398 0.000 -5.767) 6.246 16.607 ( 4.243 0.000 -4.812) 6.415 17.300 ( -6.307 0.000 14.506) 15.818 17.716 ( 1.462 0.000 -3.383) 3.685 18.326 ( -2.224 0.000 -4.485) 5.006 18.532 ( -3.436 0.000 -1.890) 3.921 18.846 ( 8.488 0.000 5.538) 10.135 19.272 ( 24.003 0.000 -2.087) 24.094 19.300 ( -8.880 0.000 18.480) 20.503 20.883 ( 0.773 0.000 -24.611) 24.623 22.921 ( 10.341 0.000 37.687) 39.080 24.175 ( -6.848 0.000 4.993) 8.476 24.367 ( 7.023 0.000 -18.289) 19.592 25.097 ( 1.992 0.000 -18.135) 18.244 ======================= Grid point 133 (63/125) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 11.137 5.243 18.627) 22.327 1.367 ( -5.749 9.951 22.004) 24.824 1.699 ( -2.084 8.389 -1.302) 8.741 2.197 ( -12.372 -1.272 14.696) 19.253 2.277 ( 0.250 1.928 2.394) 3.084 2.541 ( -1.607 7.162 31.563) 32.405 2.692 ( 0.814 7.026 10.963) 13.047 2.841 ( 0.564 3.104 3.246) 4.526 3.053 ( 1.989 -1.024 -9.528) 9.787 3.329 ( 3.125 0.794 -2.239) 3.926 3.481 ( 0.310 5.911 -5.840) 8.315 3.833 ( -7.103 -11.163 15.599) 20.455 3.961 ( 0.901 -12.780 6.571) 14.398 4.072 ( 2.792 -8.821 10.280) 13.831 4.202 ( 1.834 -5.944 7.293) 9.586 4.366 ( -1.624 -3.226 1.291) 3.836 4.437 ( -7.576 -5.071 1.763) 9.286 4.549 ( -2.635 5.664 -3.473) 7.147 4.777 ( 1.800 0.223 -0.222) 1.827 5.149 ( 0.347 -0.801 -10.290) 10.327 5.336 ( 3.776 4.188 -13.688) 14.804 5.452 ( 0.219 2.514 -7.447) 7.863 5.600 ( -1.478 2.825 2.811) 4.251 5.721 ( 4.952 3.189 -0.700) 5.932 6.254 ( -0.840 3.832 2.892) 4.873 6.519 ( 0.851 -0.933 -2.070) 2.425 7.021 ( 4.937 -7.042 11.104) 14.045 7.266 ( 2.871 -0.313 3.957) 4.899 7.808 ( -0.338 -1.871 -2.240) 2.938 7.986 ( -2.359 2.476 -3.738) 5.066 8.178 ( 4.488 8.276 -1.121) 9.481 8.199 ( 1.369 7.032 -2.868) 7.717 8.415 ( -4.511 10.359 -3.791) 11.918 8.424 ( 3.339 3.755 -1.604) 5.274 8.943 ( 1.405 -4.687 11.425) 12.429 9.234 ( -3.455 -3.348 12.865) 13.736 9.334 ( -2.925 -1.366 6.904) 7.622 9.562 ( 4.124 -0.048 -5.667) 7.009 9.633 ( -4.101 0.543 -0.569) 4.175 9.905 ( -0.754 3.284 1.887) 3.862 10.239 ( 2.172 5.322 -4.886) 7.544 10.445 ( 7.814 -9.494 -13.841) 18.514 10.915 ( 6.957 6.361 3.061) 9.911 11.355 ( -14.570 4.217 2.671) 15.402 11.444 ( -9.117 -0.884 2.195) 9.419 11.562 ( 2.651 3.160 -0.093) 4.126 11.700 ( -8.984 4.215 5.061) 11.140 12.110 ( 5.662 -1.467 -2.284) 6.279 12.487 ( 4.294 -12.508 10.431) 16.843 12.723 ( -15.746 -3.986 -0.125) 16.243 12.977 ( 2.118 -1.856 -0.526) 2.865 13.248 ( -7.072 -6.741 -3.505) 10.380 13.893 ( 2.062 17.522 -2.901) 17.880 13.932 ( -14.184 24.637 -8.350) 29.629 14.964 ( 10.947 -2.021 4.748) 12.103 15.016 ( 12.068 0.072 2.681) 12.362 15.681 ( 0.337 -2.205 1.986) 2.987 15.860 ( -0.446 -4.890 -2.263) 5.407 16.115 ( -4.781 2.455 5.997) 8.053 16.571 ( 5.045 -8.941 -3.751) 10.930 17.191 ( -8.556 -1.250 11.242) 14.183 17.688 ( 3.972 -9.391 5.921) 11.791 18.287 ( 0.716 -5.795 -2.290) 6.272 18.380 ( -1.931 -1.495 -7.146) 7.552 18.863 ( -5.500 -2.050 7.804) 9.765 19.324 ( 5.773 -2.474 18.808) 19.829 19.395 ( -9.589 0.797 -9.522) 13.537 20.750 ( 13.820 -13.852 -25.768) 32.355 23.109 ( -1.957 -2.861 28.607) 28.816 24.061 ( -2.273 -3.483 8.289) 9.274 24.500 ( 6.423 4.301 -19.023) 20.534 25.047 ( 2.402 -2.501 -19.198) 19.508 ======================= Grid point 134 (64/125) ======================= q-point: ( 0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -4.117 12.747 12.270) 18.166 1.403 ( 22.755 1.065 15.384) 27.488 1.773 ( 6.002 7.107 7.416) 11.897 2.041 ( -8.154 5.765 15.179) 18.169 2.317 ( 2.635 -0.946 4.425) 5.236 2.579 ( -0.855 -3.781 2.235) 4.474 2.784 ( -1.436 3.938 22.990) 23.369 2.869 ( 4.716 4.418 5.482) 8.474 3.054 ( 1.950 2.697 -4.515) 5.609 3.410 ( 2.671 -0.916 0.318) 2.842 3.507 ( 3.277 5.400 -4.147) 7.556 3.725 ( -8.457 -7.702 17.179) 20.639 3.982 ( -1.533 -12.427 5.033) 13.495 4.054 ( -2.468 -9.434 -0.566) 9.768 4.135 ( -9.054 -3.106 6.807) 11.746 4.292 ( -5.782 0.676 3.724) 6.911 4.451 ( -4.489 5.468 0.932) 7.136 4.522 ( 9.492 -6.589 6.645) 13.329 4.923 ( 9.210 3.457 1.083) 9.896 5.123 ( 1.073 -0.287 -10.609) 10.667 5.345 ( 1.101 1.056 -8.560) 8.695 5.414 ( 0.521 3.018 -14.011) 14.342 5.571 ( -1.352 7.539 0.988) 7.722 5.836 ( 6.248 -2.056 -2.933) 7.202 6.315 ( 4.575 4.498 7.528) 9.891 6.592 ( 7.529 -0.950 -2.781) 8.082 7.135 ( 3.571 -6.357 7.332) 10.340 7.316 ( -0.271 -2.274 4.729) 5.255 7.750 ( -5.461 -5.405 -3.645) 8.504 7.894 ( -5.065 5.087 -2.761) 7.691 8.109 ( -4.679 6.105 -8.425) 11.408 8.273 ( 1.802 12.010 0.755) 12.168 8.307 ( -3.137 9.410 -3.119) 10.398 8.504 ( 3.960 4.482 -3.006) 6.694 8.975 ( -6.195 -5.250 16.652) 18.527 9.172 ( -2.254 -0.104 5.200) 5.668 9.308 ( -1.497 -1.677 4.722) 5.229 9.595 ( -2.826 -3.950 0.684) 4.905 9.629 ( 5.771 -0.798 -6.438) 8.683 9.918 ( 2.001 2.416 5.353) 6.204 10.125 ( -9.751 3.238 -1.170) 10.341 10.544 ( 4.854 -6.693 -14.453) 16.651 10.693 ( -20.018 18.562 7.056) 28.197 11.071 ( -19.082 3.745 -6.307) 20.443 11.388 ( 7.739 1.877 11.971) 14.378 11.593 ( -4.978 0.614 5.322) 7.313 11.712 ( 4.969 4.132 4.033) 7.618 12.206 ( 6.649 -7.453 -2.366) 10.265 12.469 ( -4.350 -5.845 2.536) 7.715 12.817 ( 12.416 -1.155 2.524) 12.723 13.026 ( 5.928 -5.529 3.626) 8.881 13.167 ( -0.407 -6.496 0.348) 6.518 13.682 ( -10.393 15.849 -1.740) 19.033 13.937 ( 4.577 15.170 -0.614) 15.858 15.178 ( 7.015 0.939 -2.725) 7.584 15.266 ( 15.959 0.665 1.010) 16.004 15.559 ( -11.399 -11.580 -2.849) 16.496 15.918 ( -1.720 1.733 -6.987) 7.402 16.025 ( 1.589 -2.523 12.705) 13.050 16.643 ( 2.654 -4.946 -4.769) 7.365 17.059 ( -9.200 0.033 10.031) 13.612 17.797 ( 3.891 -11.679 9.818) 15.746 18.151 ( -5.214 -4.455 -9.010) 11.323 18.505 ( 9.032 -2.052 -0.544) 9.278 18.724 ( -11.103 -0.916 8.250) 13.863 19.042 ( -20.962 3.142 -0.711) 21.208 19.520 ( 6.756 -3.474 16.753) 18.395 20.943 ( 14.566 -9.489 -32.451) 36.814 23.039 ( -13.203 -0.020 26.157) 29.301 24.102 ( 2.671 -5.686 6.558) 9.081 24.513 ( 1.679 3.754 -17.855) 18.323 25.043 ( 4.171 -1.879 -19.338) 19.872 ======================= Grid point 135 (65/125) ======================= q-point: ( 0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.740 16.506 12.060) 20.456 1.815 ( 2.443 9.210 15.660) 18.331 1.887 ( 13.011 -1.580 12.725) 18.267 2.070 ( 7.020 8.406 7.660) 13.365 2.407 ( 5.546 -4.827 5.176) 8.992 2.566 ( 0.193 -3.666 -3.911) 5.364 2.721 ( -7.862 -5.473 6.552) 11.606 2.985 ( 3.740 -6.885 -16.578) 18.336 3.175 ( 8.305 7.614 28.228) 30.393 3.344 ( -9.088 1.555 -0.008) 9.221 3.474 ( -6.870 -0.986 0.783) 6.984 3.722 ( 0.708 0.403 14.104) 14.127 3.941 ( -4.911 -9.142 8.079) 13.152 3.985 ( -7.054 -2.658 10.025) 12.543 4.051 ( 0.711 -5.674 2.322) 6.172 4.255 ( 0.466 0.209 3.736) 3.771 4.423 ( 1.228 9.327 1.947) 9.606 4.688 ( 6.208 -5.029 2.715) 8.438 5.028 ( 1.516 3.136 -0.169) 3.488 5.156 ( 5.572 1.763 -5.983) 8.364 5.308 ( -1.801 0.022 -1.393) 2.277 5.417 ( 3.862 6.146 -16.124) 17.682 5.560 ( 0.344 6.168 -5.044) 7.975 5.897 ( 1.924 -2.683 -7.411) 8.113 6.444 ( 5.154 4.578 11.664) 13.549 6.760 ( 10.179 -1.446 -2.676) 10.624 7.169 ( -5.216 -3.143 7.853) 9.938 7.252 ( -8.227 -0.929 9.445) 12.560 7.624 ( -3.712 -2.302 -1.685) 4.681 7.799 ( -3.593 1.595 -6.317) 7.441 8.015 ( -1.699 2.558 -9.502) 9.986 8.215 ( -2.701 5.405 -3.987) 7.240 8.313 ( -0.220 14.525 1.108) 14.569 8.551 ( 2.419 5.300 -4.537) 7.384 8.864 ( -7.741 3.974 15.140) 17.462 9.198 ( 1.454 -4.909 0.581) 5.153 9.316 ( 0.799 3.189 5.890) 6.745 9.490 ( -6.842 -5.211 0.730) 8.631 9.729 ( 5.268 0.939 -7.087) 8.881 9.850 ( -9.172 -0.283 -4.847) 10.378 10.102 ( 4.397 -0.030 11.161) 11.996 10.420 ( -10.869 1.940 -15.903) 19.360 10.474 ( -5.986 16.961 7.548) 19.506 10.893 ( 3.322 0.602 -4.423) 5.564 11.412 ( -7.893 1.959 6.998) 10.729 11.643 ( 5.980 0.529 14.255) 15.467 11.774 ( 0.556 1.784 3.256) 3.754 12.328 ( 6.577 -6.845 -5.855) 11.153 12.423 ( -1.252 -9.355 -0.613) 9.458 12.818 ( -5.474 1.169 -0.641) 5.634 13.190 ( 3.741 -1.760 3.920) 5.697 13.383 ( 15.347 -4.216 9.476) 18.523 13.557 ( 1.030 3.822 0.270) 3.968 14.059 ( 7.773 8.228 -1.068) 11.369 15.162 ( -10.127 -1.401 2.732) 10.583 15.323 ( -6.771 -10.464 -10.204) 16.108 15.628 ( 15.822 0.945 4.439) 16.460 15.738 ( -4.359 -1.951 -6.624) 8.166 16.250 ( 11.782 -0.047 6.188) 13.308 16.594 ( -6.311 -0.341 -7.542) 9.840 16.924 ( -8.193 0.751 12.088) 14.622 17.872 ( 0.580 -12.502 13.738) 18.584 18.128 ( 5.281 -4.459 -7.625) 10.291 18.505 ( -14.478 -0.895 7.217) 16.202 18.607 ( -3.053 2.271 4.474) 5.873 18.747 ( -5.219 1.670 -3.137) 6.314 19.655 ( 1.477 -3.842 15.663) 16.195 21.054 ( 9.164 -6.508 -32.866) 34.735 22.867 ( -13.114 3.530 25.644) 29.018 24.169 ( 2.237 -6.411 3.806) 7.784 24.457 ( -0.780 2.925 -17.738) 17.994 25.067 ( 4.977 -1.107 -18.853) 19.530 ======================= Grid point 136 (66/125) ======================= q-point: ( 0.43 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.690 17.475 14.126) 22.482 1.783 ( -5.897 9.147 15.760) 19.152 2.186 ( 5.740 3.671 9.958) 12.066 2.252 ( 10.060 3.074 11.676) 15.716 2.522 ( -4.619 -10.900 4.224) 12.569 2.570 ( 2.127 -6.124 -2.776) 7.053 2.592 ( 2.674 -1.052 -2.585) 3.865 2.979 ( 2.221 -4.471 -13.084) 14.004 3.125 ( -12.247 1.809 3.720) 12.927 3.276 ( -9.706 -2.606 -1.042) 10.103 3.481 ( 9.588 2.229 21.143) 23.322 3.640 ( -14.017 8.199 8.202) 18.192 3.883 ( -4.552 -3.575 26.366) 26.994 4.012 ( 4.310 -7.504 3.135) 9.204 4.095 ( 1.297 -4.075 9.270) 10.209 4.301 ( 2.624 -1.230 2.241) 3.664 4.490 ( 4.006 8.687 1.587) 9.697 4.790 ( 5.454 -1.783 -3.605) 6.776 5.034 ( -0.645 3.372 -0.683) 3.500 5.210 ( 0.106 1.003 -4.681) 4.789 5.314 ( 2.934 -0.698 4.964) 5.808 5.424 ( 2.175 8.301 -13.279) 15.810 5.537 ( 0.156 4.448 -9.810) 10.772 5.864 ( -1.574 -1.987 -12.991) 13.236 6.566 ( 2.580 5.250 13.360) 14.584 6.902 ( -0.263 -1.726 1.150) 2.090 6.945 ( -12.594 2.909 10.884) 16.897 7.186 ( -3.128 -1.438 9.427) 10.035 7.631 ( 3.500 -0.030 0.041) 3.500 7.719 ( -2.299 0.215 -7.184) 7.546 7.970 ( -0.218 -2.845 -7.940) 8.437 8.177 ( 0.399 6.422 -7.561) 9.929 8.296 ( -1.434 11.405 2.256) 11.714 8.547 ( -1.781 6.744 -3.715) 7.903 8.845 ( 0.795 5.947 11.952) 13.373 9.225 ( 2.489 -1.157 -3.109) 4.147 9.365 ( 1.390 2.260 7.095) 7.575 9.371 ( -5.726 -1.573 -1.538) 6.134 9.629 ( -9.069 3.366 -2.142) 9.908 9.812 ( 2.976 -1.289 -6.490) 7.255 10.050 ( -7.410 -3.173 -6.774) 10.529 10.264 ( -2.295 12.539 -9.785) 16.070 10.570 ( 10.872 5.267 14.447) 18.832 11.026 ( 8.502 -0.492 1.082) 8.584 11.271 ( -7.842 2.551 3.613) 9.003 11.764 ( -0.134 -1.827 3.046) 3.554 11.801 ( 3.421 -0.336 13.632) 14.059 12.333 ( -2.920 -1.081 -7.550) 8.167 12.462 ( 4.611 -13.842 -0.135) 14.590 12.743 ( -1.160 -2.471 -2.166) 3.485 13.231 ( -2.394 0.058 8.905) 9.221 13.499 ( 4.751 5.866 2.542) 7.965 13.803 ( 11.992 -6.700 5.828) 14.922 14.198 ( 8.005 2.281 -4.241) 9.342 14.860 ( -20.249 -9.904 5.200) 23.133 15.203 ( -2.725 -7.441 -7.803) 11.121 15.666 ( 2.720 2.596 1.580) 4.078 16.017 ( 17.815 1.250 -4.249) 18.357 16.304 ( -11.825 -1.262 -6.521) 13.562 16.457 ( -0.602 3.267 -7.585) 8.280 16.907 ( 2.164 0.558 24.154) 24.257 17.960 ( 3.510 -13.541 16.446) 21.590 18.203 ( -6.877 -1.853 -4.745) 8.559 18.265 ( -1.340 -2.556 6.403) 7.024 18.539 ( -1.194 7.672 2.790) 8.251 18.720 ( -1.140 -2.600 -5.528) 6.214 19.677 ( -4.534 -3.599 14.452) 15.568 21.074 ( 4.580 -5.549 -31.481) 32.292 22.742 ( -9.034 5.323 25.528) 27.598 24.211 ( 1.374 -5.821 0.998) 6.064 24.382 ( -0.575 2.267 -17.120) 17.279 25.095 ( 4.485 -0.852 -18.401) 18.959 ======================= Grid point 137 (67/125) ======================= q-point: (-0.43 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -4.272 14.944 16.194) 22.446 1.688 ( -10.508 10.603 8.904) 17.382 2.169 ( -7.903 -4.076 13.942) 16.536 2.450 ( 0.842 -2.303 10.242) 10.532 2.455 ( 1.241 -1.054 7.647) 7.818 2.551 ( -0.989 -3.539 -0.145) 3.678 2.650 ( -1.884 6.051 -9.694) 11.582 2.967 ( 0.014 0.862 -0.450) 0.973 3.035 ( -3.019 -2.883 9.629) 10.495 3.100 ( -3.707 0.057 -0.540) 3.747 3.377 ( -10.897 7.227 3.556) 13.551 3.722 ( 7.976 0.330 11.631) 14.107 3.890 ( -3.719 -3.157 23.125) 23.634 4.102 ( 1.277 -9.428 7.589) 12.170 4.119 ( -2.245 -3.518 9.067) 9.982 4.357 ( 2.075 -1.283 3.244) 4.059 4.551 ( 2.248 3.918 -0.297) 4.527 4.863 ( 1.255 4.302 -1.846) 4.847 4.989 ( -1.351 1.234 -8.706) 8.896 5.163 ( -3.134 -5.586 1.751) 6.640 5.355 ( -2.089 1.995 -2.509) 3.826 5.456 ( 5.748 6.070 -2.374) 8.690 5.528 ( 3.293 5.904 -13.253) 14.877 5.766 ( -3.138 -1.660 -14.524) 14.951 6.573 ( -7.345 4.211 7.314) 11.188 6.723 ( -7.368 7.431 22.827) 25.111 6.912 ( -5.419 -2.012 0.376) 5.793 7.208 ( 1.566 0.741 8.110) 8.293 7.671 ( -0.109 -2.380 -5.818) 6.287 7.724 ( 5.808 2.418 1.069) 6.381 7.966 ( 2.588 -3.440 -4.734) 6.399 8.150 ( -0.592 10.016 -9.641) 13.915 8.314 ( 2.835 7.550 0.671) 8.092 8.480 ( -3.230 6.033 -0.435) 6.857 8.932 ( 3.798 -1.042 5.930) 7.118 9.204 ( -5.338 4.487 -4.141) 8.110 9.339 ( 4.700 5.322 5.158) 8.776 9.406 ( -1.015 2.201 7.691) 8.064 9.495 ( -3.040 -2.258 -1.072) 3.936 9.836 ( 2.040 6.389 -7.902) 10.365 9.945 ( -1.005 1.135 -8.126) 8.267 10.223 ( 2.087 5.484 -9.972) 11.570 10.849 ( 12.233 0.254 13.057) 17.894 11.035 ( -8.750 -2.424 1.380) 9.184 11.283 ( 8.116 4.437 3.067) 9.745 11.772 ( 1.753 -4.663 0.393) 4.997 11.901 ( 1.164 -0.002 13.806) 13.855 12.231 ( -5.500 1.187 -4.850) 7.428 12.538 ( 3.376 -12.263 -3.136) 13.100 12.747 ( 2.518 -4.688 -4.528) 6.987 13.195 ( -3.503 -0.987 9.656) 10.319 13.604 ( 3.151 1.783 2.056) 4.163 13.927 ( 1.323 0.772 4.036) 4.317 14.308 ( 1.017 -4.891 -6.763) 8.408 14.550 ( -9.323 -5.832 8.481) 13.887 15.203 ( 4.458 -7.083 -5.130) 9.816 15.723 ( -2.920 3.926 2.346) 5.426 15.990 ( -7.186 -0.837 -5.408) 9.033 16.280 ( -1.566 0.254 -8.596) 8.741 16.374 ( 3.590 2.764 -6.788) 8.161 17.121 ( 7.891 -1.131 26.902) 28.058 17.923 ( -14.032 -6.709 6.109) 16.711 18.152 ( 9.030 -6.685 11.089) 15.786 18.392 ( 7.671 -3.345 1.217) 8.456 18.577 ( 0.345 1.310 -1.190) 1.803 18.658 ( 1.279 3.587 -4.153) 5.635 19.591 ( -9.357 -3.215 13.927) 17.084 21.019 ( 0.538 -6.075 -29.592) 30.214 22.704 ( -4.369 6.615 26.917) 28.060 24.230 ( 0.301 -5.059 0.880) 5.144 24.329 ( 1.482 1.906 -17.715) 17.879 25.108 ( 3.423 -1.091 -18.332) 18.681 ======================= Grid point 138 (68/125) ======================= q-point: (-0.29 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -14.211 9.070 9.832) 19.517 1.440 ( -13.894 12.246 14.547) 23.551 2.074 ( -8.603 1.333 9.575) 12.941 2.351 ( -7.546 0.751 0.278) 7.589 2.431 ( -6.499 -4.369 14.316) 16.318 2.580 ( -1.782 1.251 15.035) 15.192 2.643 ( 3.017 3.844 -2.787) 5.625 2.864 ( -13.818 13.622 18.352) 26.708 2.955 ( 1.402 3.404 -2.520) 4.461 3.221 ( 8.746 -5.787 3.057) 10.924 3.376 ( 8.717 -1.475 -6.894) 11.211 3.818 ( -1.546 1.828 4.754) 5.323 3.925 ( 0.277 -4.358 18.582) 19.088 4.009 ( -9.475 -8.813 10.289) 16.532 4.154 ( 0.387 -10.718 5.418) 12.016 4.379 ( -1.649 -0.268 6.944) 7.142 4.591 ( 2.228 0.298 -2.976) 3.729 4.763 ( -9.004 2.348 1.304) 9.396 4.969 ( 0.695 2.001 -15.098) 15.245 5.135 ( -0.606 -6.611 6.683) 9.419 5.291 ( -1.691 3.403 -7.870) 8.739 5.523 ( 2.478 8.070 -13.692) 16.085 5.570 ( 3.482 1.045 1.849) 4.079 5.674 ( -1.685 1.049 -10.527) 10.713 6.443 ( -7.475 4.680 5.834) 10.574 6.718 ( -4.761 0.550 9.146) 10.326 6.780 ( -5.057 3.752 14.124) 15.464 7.235 ( -1.718 0.535 5.859) 6.129 7.701 ( 4.903 -2.305 -2.862) 6.127 7.852 ( 7.000 3.098 2.446) 8.036 8.023 ( 3.195 1.495 -1.944) 4.028 8.111 ( 1.267 8.902 -9.012) 12.730 8.350 ( 0.326 7.945 0.646) 7.978 8.486 ( 4.020 1.478 -2.968) 5.211 8.949 ( -4.324 -0.295 5.665) 7.133 9.163 ( 3.282 -0.117 -3.537) 4.827 9.359 ( -4.538 0.810 13.598) 14.358 9.487 ( 2.457 -1.470 2.778) 3.989 9.532 ( 8.898 6.412 7.832) 13.477 9.853 ( 3.512 11.306 -7.782) 14.167 9.932 ( 1.707 4.377 -7.973) 9.254 10.275 ( 7.493 0.534 -14.225) 16.087 10.850 ( -8.943 -1.861 -0.995) 9.188 11.109 ( 10.258 -3.365 11.567) 15.822 11.442 ( 6.695 3.506 2.632) 8.003 11.844 ( 5.607 -3.635 -1.420) 6.831 11.895 ( -6.935 -1.885 8.685) 11.273 12.092 ( -7.980 4.397 1.004) 9.167 12.535 ( -2.218 -9.213 -5.234) 10.825 12.816 ( 5.689 -5.155 -2.851) 8.189 13.182 ( -1.805 -1.836 6.140) 6.658 13.606 ( -1.598 -4.963 4.039) 6.595 13.881 ( -8.816 -0.376 -7.501) 11.581 14.266 ( 5.265 1.025 3.329) 6.313 14.566 ( 0.821 4.193 1.665) 4.585 15.211 ( -7.386 3.405 -1.929) 8.359 15.593 ( -0.751 -13.285 -0.095) 13.307 16.023 ( -2.955 4.278 -6.083) 8.002 16.055 ( -3.850 4.937 -1.957) 6.560 16.484 ( 4.194 -3.554 -3.280) 6.402 17.294 ( 1.147 -1.856 19.515) 19.636 17.712 ( -8.929 -5.781 3.260) 11.125 18.331 ( -0.734 -8.217 1.883) 8.462 18.469 ( 3.277 -3.629 -0.467) 4.912 18.609 ( 9.472 -1.853 3.465) 10.255 18.854 ( 17.795 6.107 1.796) 18.899 19.435 ( -11.680 -2.353 14.991) 19.149 20.893 ( -3.738 -8.615 -26.649) 28.255 22.766 ( 0.906 6.987 30.355) 31.162 24.209 ( -3.887 -4.967 5.151) 8.143 24.338 ( 6.570 2.622 -21.117) 22.271 25.100 ( 2.360 -1.649 -18.542) 18.765 ======================= Grid point 139 (69/125) ======================= q-point: (-0.14 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -15.895 8.510 11.006) 21.123 1.367 ( -4.663 12.161 25.104) 28.282 1.867 ( -12.456 5.709 -1.922) 13.836 2.279 ( -1.587 3.380 0.777) 3.814 2.356 ( -7.958 -7.708 16.163) 19.596 2.530 ( -10.632 13.007 35.990) 39.718 2.654 ( -0.018 2.788 4.827) 5.574 2.808 ( 1.729 6.288 2.775) 7.087 3.010 ( 4.429 1.272 -3.970) 6.083 3.323 ( 1.256 -2.403 -3.983) 4.818 3.505 ( 3.178 -0.931 -8.093) 8.744 3.822 ( 5.279 -2.015 6.960) 8.965 3.901 ( -4.916 -12.015 13.119) 18.456 3.983 ( -1.388 -4.671 18.286) 18.925 4.172 ( 0.028 -11.844 3.968) 12.491 4.379 ( -0.420 -1.987 7.716) 7.978 4.568 ( -4.244 -2.541 -3.224) 5.904 4.608 ( -6.010 2.795 -1.860) 6.884 4.873 ( -5.892 0.318 -8.528) 10.370 5.166 ( 0.901 -3.035 -2.037) 3.765 5.276 ( 4.182 3.769 -7.291) 9.212 5.488 ( -0.754 3.414 -11.463) 11.984 5.612 ( 1.375 4.716 -10.829) 11.891 5.658 ( 1.093 2.998 8.026) 8.637 6.323 ( -6.341 3.778 1.916) 7.626 6.577 ( -6.218 -1.238 -1.520) 6.520 6.879 ( 4.468 -0.668 18.755) 19.291 7.221 ( -0.449 -0.170 5.217) 5.239 7.787 ( 3.480 -0.574 -1.350) 3.777 7.979 ( 4.356 0.872 -0.077) 4.443 8.067 ( 4.911 10.338 -2.903) 11.808 8.156 ( 4.149 3.737 -3.155) 6.413 8.365 ( 1.562 4.821 0.048) 5.068 8.512 ( -1.344 6.175 -4.643) 7.842 8.906 ( -1.369 0.844 7.359) 7.532 9.217 ( 1.168 -6.231 5.422) 8.342 9.341 ( -2.380 0.160 14.010) 14.211 9.519 ( 2.365 -0.638 -4.249) 4.904 9.698 ( 0.407 2.916 5.651) 6.372 9.908 ( 0.494 3.086 -2.097) 3.764 10.023 ( 15.446 9.826 -3.014) 18.553 10.386 ( 7.874 -0.800 -16.873) 18.637 10.752 ( 1.925 0.910 -1.810) 2.794 11.313 ( 7.646 -4.550 8.948) 12.618 11.543 ( 3.258 2.888 1.049) 4.478 11.688 ( -14.232 -2.851 -0.610) 14.527 11.930 ( -11.835 6.568 6.645) 15.078 11.979 ( 7.530 -0.864 0.470) 7.594 12.462 ( -2.757 -9.363 -1.414) 9.862 12.904 ( 3.540 -3.620 -0.698) 5.111 13.080 ( -12.156 -4.934 2.081) 13.284 13.487 ( -14.917 -14.028 -5.515) 21.207 13.796 ( 7.169 9.762 -3.077) 12.496 14.271 ( -12.158 23.438 -18.629) 32.314 14.654 ( 13.108 2.144 14.362) 19.562 15.003 ( -9.509 0.249 3.106) 10.007 15.656 ( 1.988 -6.698 -0.731) 7.025 15.859 ( -0.771 -1.971 -1.809) 2.784 16.132 ( 0.943 5.525 5.391) 7.777 16.517 ( 1.980 -8.008 -3.556) 8.983 17.295 ( -6.204 -1.410 13.509) 14.933 17.634 ( -0.687 -7.125 3.926) 8.164 18.255 ( -1.114 -5.950 -4.321) 7.437 18.496 ( -2.827 -2.799 -2.991) 4.977 18.814 ( 8.173 -2.734 5.401) 10.170 19.240 ( 6.351 -3.628 10.884) 13.113 19.328 ( 7.387 2.929 2.683) 8.387 20.727 ( -2.905 -12.931 -22.091) 25.761 22.942 ( 5.660 3.063 32.734) 33.361 24.129 ( -6.206 -4.163 6.588) 9.962 24.417 ( 8.634 3.663 -20.224) 22.293 25.075 ( 1.749 -2.274 -18.858) 19.075 ======================= Grid point 140 (70/125) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 4.091 12.050 11.533) 17.174 1.592 ( -3.236 11.671 9.437) 15.354 1.849 ( -0.114 5.598 0.783) 5.654 2.165 ( -5.470 -0.088 12.477) 13.624 2.314 ( -1.171 1.813 1.492) 2.624 2.540 ( -0.403 -2.054 3.536) 4.109 2.862 ( -1.647 -2.088 1.075) 2.868 2.951 ( -2.352 3.296 3.314) 5.232 3.212 ( -2.203 17.634 18.701) 25.798 3.353 ( 0.613 3.668 3.002) 4.780 3.557 ( 2.007 -14.109 6.821) 15.799 3.601 ( 2.107 5.966 -2.558) 6.824 3.642 ( -0.788 -16.291 0.759) 16.327 3.943 ( -3.263 -3.838 7.889) 9.360 4.136 ( 6.472 -0.044 7.884) 10.200 4.192 ( -3.886 -7.184 12.023) 14.535 4.386 ( -5.282 -6.403 -0.227) 8.304 4.609 ( -4.183 2.235 -2.742) 5.478 4.777 ( 4.203 0.237 4.717) 6.322 5.149 ( -1.951 0.955 -5.762) 6.158 5.427 ( 0.433 5.218 -7.855) 9.440 5.498 ( 3.684 2.060 -5.654) 7.056 5.698 ( 0.971 5.720 -5.691) 8.127 5.811 ( 0.318 5.309 -0.616) 5.354 6.347 ( 0.395 4.204 3.052) 5.210 6.502 ( 1.597 -0.619 -2.261) 2.837 6.936 ( 0.520 -1.623 12.743) 12.857 7.210 ( 0.570 -4.546 8.070) 9.280 7.801 ( -2.449 1.206 -1.836) 3.290 8.048 ( -0.564 1.942 -5.162) 5.544 8.259 ( 0.619 5.545 2.903) 6.290 8.349 ( 5.447 -1.625 1.337) 5.840 8.544 ( 4.504 10.908 -2.511) 12.066 8.611 ( -3.744 7.275 -8.045) 11.475 8.821 ( -2.045 -3.994 15.230) 15.878 9.257 ( -1.327 5.084 5.754) 7.793 9.349 ( -3.275 0.394 5.259) 6.208 9.570 ( 3.915 0.438 -6.129) 7.286 9.660 ( -6.767 2.927 1.406) 7.506 9.964 ( -0.770 2.561 9.237) 9.617 10.209 ( 7.815 -11.246 -8.731) 16.241 10.362 ( -5.539 4.681 -1.592) 7.425 11.049 ( 9.905 6.990 2.371) 12.353 11.415 ( 4.697 0.112 2.741) 5.439 11.466 ( -7.118 6.024 -0.430) 9.335 11.662 ( 2.910 3.364 3.455) 5.633 11.815 ( -17.436 8.353 -0.212) 19.335 12.099 ( 1.040 1.150 -4.052) 4.339 12.361 ( 7.159 -1.304 8.630) 11.288 12.680 ( -13.350 -0.827 -1.698) 13.483 12.913 ( 2.948 -4.588 -0.628) 5.489 13.099 ( -3.789 -6.704 -1.423) 7.831 14.182 ( 1.033 13.014 0.502) 13.064 14.392 ( -15.000 16.789 -5.420) 23.157 14.896 ( 7.548 -3.483 6.396) 10.489 15.050 ( 15.874 2.738 -2.693) 16.332 15.611 ( -7.604 -4.587 3.164) 9.427 15.767 ( 5.158 -4.117 -1.596) 6.790 16.097 ( -10.875 -5.021 3.257) 12.413 16.365 ( 8.817 -10.439 -3.924) 14.217 17.126 ( -6.673 -4.817 13.183) 15.541 17.482 ( -0.463 -9.411 13.965) 16.846 18.172 ( -0.431 -4.754 -2.250) 5.277 18.336 ( -0.717 -2.663 -9.452) 9.846 18.830 ( -3.362 -0.765 7.242) 8.021 19.245 ( 4.222 -5.225 16.918) 18.203 19.431 ( -6.465 3.138 -12.195) 14.155 20.456 ( 14.126 -14.087 -20.252) 28.427 23.129 ( -2.983 4.449 22.839) 23.458 23.965 ( -2.700 -6.067 8.537) 10.816 24.563 ( 6.284 2.113 -21.188) 22.201 24.975 ( 2.863 -4.467 -20.072) 20.761 ======================= Grid point 141 (71/125) ======================= q-point: ( 0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 15.257 2.239 11.600) 19.296 1.599 ( 3.608 13.842 4.097) 14.879 1.932 ( 6.128 6.805 6.027) 10.962 2.120 ( -3.617 4.645 14.480) 15.631 2.324 ( 1.175 -0.523 1.743) 2.166 2.537 ( -0.635 -0.761 0.687) 1.206 2.785 ( -7.818 -2.356 6.448) 10.404 2.883 ( -2.717 -2.588 -7.549) 8.431 3.249 ( -1.563 9.224 14.524) 17.276 3.379 ( -0.750 -0.117 7.467) 7.505 3.511 ( -1.627 -8.950 1.969) 9.308 3.657 ( 3.309 -5.481 -1.040) 6.487 3.744 ( 3.255 0.881 8.964) 9.577 3.896 ( -3.317 -4.763 7.170) 9.225 4.111 ( -3.876 0.844 8.393) 9.283 4.252 ( -1.727 -2.918 6.560) 7.384 4.354 ( 1.885 -6.388 0.903) 6.721 4.602 ( 5.189 5.854 3.185) 8.446 4.950 ( 9.794 -0.275 4.139) 10.636 5.094 ( -1.239 -1.534 -3.976) 4.438 5.399 ( 0.062 4.719 -5.677) 7.382 5.541 ( 4.082 6.963 -15.739) 17.688 5.712 ( 0.864 4.378 -0.194) 4.466 5.808 ( 1.219 1.748 -5.449) 5.851 6.422 ( 4.793 5.033 6.782) 9.711 6.582 ( 7.466 0.145 -2.571) 7.898 7.021 ( 3.930 -4.648 10.065) 11.762 7.239 ( -1.196 -4.695 9.195) 10.393 7.706 ( -6.427 0.486 -1.925) 6.727 7.974 ( -5.664 2.648 -3.215) 7.030 8.207 ( -5.281 5.027 -3.307) 8.006 8.440 ( 1.944 -3.725 -1.470) 4.451 8.479 ( -4.136 5.143 -2.860) 7.193 8.652 ( 5.561 14.279 -3.556) 15.730 8.856 ( -0.093 -2.514 18.232) 18.405 9.176 ( -6.026 0.169 -1.843) 6.304 9.353 ( 0.410 5.328 8.345) 9.910 9.570 ( -3.765 1.283 2.954) 4.954 9.629 ( 4.460 0.807 -6.848) 8.213 9.976 ( -0.393 3.237 7.222) 7.924 10.165 ( -7.820 -3.275 0.482) 8.492 10.379 ( 5.138 -4.587 -9.238) 11.523 11.049 ( -9.215 13.648 -0.220) 16.469 11.218 ( -17.803 11.377 -1.637) 21.191 11.468 ( 3.891 5.617 7.510) 10.153 11.603 ( -4.639 1.114 1.360) 4.961 11.791 ( 4.771 2.643 7.578) 9.336 12.072 ( 0.913 -3.926 -4.964) 6.394 12.450 ( -5.367 2.150 -0.247) 5.787 12.749 ( 22.172 -3.317 5.591) 23.106 12.916 ( -4.720 -5.090 1.089) 7.027 13.069 ( 2.349 -4.063 0.291) 4.702 14.003 ( -14.950 14.606 0.488) 20.907 14.190 ( -4.838 9.161 0.728) 10.385 15.180 ( 11.678 -1.623 -4.716) 12.698 15.307 ( 3.187 -6.993 2.710) 8.149 15.341 ( -2.984 1.559 -0.459) 3.398 15.833 ( -15.517 -9.343 -1.297) 18.159 15.975 ( 12.362 -2.509 4.024) 13.240 16.537 ( 7.874 -5.556 -2.682) 10.003 17.041 ( -7.261 -1.672 12.411) 14.476 17.546 ( 1.443 -11.585 15.353) 19.288 18.058 ( -5.069 -3.998 -6.988) 9.513 18.430 ( 8.416 -5.411 -3.009) 10.448 18.719 ( -10.004 0.814 6.767) 12.105 19.106 ( -16.464 2.334 -4.422) 17.206 19.449 ( 6.286 -2.065 10.997) 12.834 20.697 ( 16.428 -14.080 -25.943) 33.781 23.086 ( -8.984 4.767 21.789) 24.046 23.978 ( 0.864 -6.720 7.572) 10.160 24.566 ( 1.601 1.659 -20.283) 20.413 24.984 ( 5.162 -3.966 -19.983) 21.017 ======================= Grid point 142 (72/125) ======================= q-point: ( 0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 4.589 8.939 8.437) 13.121 1.843 ( 14.162 -0.208 6.627) 15.637 2.062 ( 2.543 13.094 14.979) 20.057 2.162 ( 5.174 1.533 8.206) 9.821 2.352 ( 0.905 -1.654 1.766) 2.583 2.526 ( -0.414 -0.257 -0.392) 0.626 2.639 ( -8.249 -1.178 3.904) 9.201 2.829 ( 0.864 -6.689 -12.775) 14.446 3.241 ( -2.058 -2.411 2.317) 3.926 3.333 ( -7.696 -0.388 16.425) 18.143 3.537 ( 1.539 -1.113 5.681) 5.990 3.727 ( -0.660 -9.242 1.760) 9.431 3.746 ( 2.250 5.256 1.561) 5.927 3.892 ( -3.969 -4.720 21.717) 22.576 4.104 ( 0.273 8.910 4.397) 9.940 4.255 ( -0.232 -0.332 10.515) 10.523 4.402 ( 2.850 -6.254 0.485) 6.890 4.746 ( 7.544 6.782 1.421) 10.243 5.050 ( 1.307 0.803 0.931) 1.795 5.167 ( 7.526 -1.117 0.704) 7.641 5.373 ( -1.980 5.014 -2.413) 5.906 5.573 ( 5.722 8.720 -18.340) 21.098 5.705 ( -1.089 6.168 -3.300) 7.080 5.822 ( 1.946 -3.048 -8.291) 9.045 6.547 ( 5.543 4.833 8.758) 11.436 6.739 ( 8.874 -0.376 -1.843) 9.071 7.109 ( 0.046 -2.784 8.972) 9.394 7.208 ( -5.784 -2.799 11.670) 13.322 7.589 ( -4.035 -0.521 1.025) 4.196 7.827 ( -7.772 1.052 -3.341) 8.525 8.080 ( -5.552 3.532 -7.103) 9.683 8.336 ( -5.093 5.319 -2.856) 7.899 8.530 ( 3.755 -4.349 -1.359) 5.904 8.695 ( 0.006 15.685 -3.836) 16.147 8.937 ( 2.737 3.078 13.258) 13.883 9.106 ( 0.315 -2.137 -1.445) 2.599 9.398 ( 0.968 4.080 10.983) 11.756 9.472 ( -7.236 3.917 0.792) 8.267 9.720 ( 6.573 0.475 -7.977) 10.347 9.893 ( -8.549 0.657 -2.709) 8.992 10.129 ( -0.283 3.221 12.025) 12.452 10.373 ( 0.559 -4.325 -12.027) 12.793 10.826 ( -9.728 12.478 -11.034) 19.289 11.025 ( -2.512 15.112 7.687) 17.140 11.462 ( -6.690 2.638 0.839) 7.240 11.651 ( 5.193 0.419 14.195) 15.121 11.816 ( -3.488 2.180 5.018) 6.488 12.118 ( 4.328 -9.170 -3.175) 10.626 12.366 ( -2.959 -0.300 -1.517) 3.339 12.755 ( -9.380 -6.356 -0.855) 11.363 13.179 ( 7.105 0.302 4.678) 8.512 13.247 ( 25.025 -4.786 7.214) 26.480 13.736 ( -12.388 9.821 0.328) 15.812 14.171 ( 1.408 2.738 0.347) 3.098 14.967 ( -19.455 -14.501 1.163) 24.292 15.213 ( -7.693 -5.343 -5.012) 10.623 15.629 ( -1.663 -3.696 -1.131) 4.207 15.720 ( 21.749 6.029 -1.515) 22.620 16.217 ( 10.468 -3.588 4.516) 11.952 16.589 ( -1.341 -0.327 -4.849) 5.042 16.942 ( -7.102 1.068 13.670) 15.441 17.618 ( 0.322 -11.409 17.992) 21.307 18.024 ( 3.925 -4.998 -5.536) 8.428 18.502 ( -11.095 0.209 5.110) 12.217 18.561 ( 1.363 -5.477 -1.354) 5.804 18.827 ( -9.652 4.858 -5.594) 12.168 19.571 ( 1.951 -3.344 11.821) 12.439 20.854 ( 10.036 -13.179 -28.764) 33.193 22.975 ( -9.676 7.104 21.403) 24.539 24.028 ( 1.634 -7.587 5.963) 9.787 24.503 ( -0.500 2.009 -19.807) 19.915 25.022 ( 5.610 -3.570 -19.753) 20.842 ======================= Grid point 143 (73/125) ======================= q-point: ( 0.43 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 2.345 12.581 8.200) 15.200 1.965 ( -2.441 -0.356 18.035) 18.203 2.149 ( -4.686 2.240 2.841) 5.920 2.291 ( 7.091 0.076 9.865) 12.150 2.368 ( -0.057 -4.135 2.090) 4.634 2.557 ( -0.794 0.474 -0.203) 0.947 2.575 ( 8.231 4.846 -1.310) 9.641 2.841 ( 4.853 -6.509 -11.817) 14.338 3.133 ( -9.410 -1.146 3.929) 10.261 3.268 ( -5.222 0.759 6.326) 8.238 3.554 ( -1.054 4.111 8.236) 9.265 3.753 ( 2.586 -9.524 9.774) 13.890 3.799 ( -0.666 1.001 6.414) 6.525 3.880 ( -4.481 -1.003 21.264) 21.754 4.135 ( 1.083 8.142 3.695) 9.007 4.277 ( -1.831 1.473 14.150) 14.343 4.460 ( 3.094 -7.368 -0.878) 8.039 4.891 ( 8.046 5.938 -2.775) 10.378 5.059 ( -1.654 1.103 2.283) 3.027 5.255 ( -2.448 3.206 -0.308) 4.045 5.328 ( 1.242 1.649 1.300) 2.440 5.620 ( 3.167 10.179 -12.695) 16.577 5.666 ( 1.408 6.817 -11.097) 13.099 5.795 ( -1.437 -3.867 -11.633) 12.343 6.670 ( 2.970 4.018 8.168) 9.575 6.856 ( 2.411 -2.127 0.112) 3.217 7.028 ( -10.702 4.727 15.676) 19.560 7.159 ( -1.336 -0.913 9.133) 9.275 7.605 ( 3.971 -2.838 2.509) 5.488 7.697 ( -4.195 -1.107 -3.930) 5.854 7.967 ( -3.749 1.796 -5.171) 6.635 8.272 ( -0.275 3.892 -3.240) 5.072 8.574 ( 0.657 3.858 -2.233) 4.506 8.659 ( -0.677 11.331 -5.286) 12.522 9.010 ( -0.361 10.009 2.349) 10.287 9.166 ( 4.317 -4.720 4.816) 8.007 9.340 ( -4.103 0.684 0.213) 4.165 9.451 ( 0.045 4.806 10.570) 11.612 9.719 ( -4.159 4.709 1.681) 6.504 9.850 ( 5.008 3.961 -8.433) 10.577 10.029 ( -7.093 2.075 -4.134) 8.468 10.470 ( 6.510 3.817 -3.693) 8.402 10.665 ( -1.378 6.242 -8.174) 10.377 11.084 ( 2.111 6.308 7.020) 9.671 11.328 ( -5.060 3.235 0.897) 6.072 11.745 ( -4.463 0.792 4.193) 6.175 11.782 ( 2.680 -1.669 16.766) 17.060 12.193 ( 4.885 -10.472 -2.639) 11.852 12.315 ( -2.437 -1.277 -1.548) 3.157 12.623 ( -3.143 -8.420 -2.824) 9.421 13.273 ( -2.308 4.000 8.719) 9.867 13.608 ( 0.865 4.556 2.499) 5.268 13.689 ( 17.793 -3.825 5.024) 18.880 14.205 ( 2.126 -1.885 -3.713) 4.675 14.587 ( -20.279 -15.186 2.788) 25.488 15.021 ( -6.394 -11.922 -6.422) 14.975 15.720 ( 7.962 3.275 2.864) 9.073 16.067 ( 13.435 4.422 -3.535) 14.579 16.289 ( -5.590 -0.997 -1.392) 5.846 16.513 ( -1.904 2.082 -7.655) 8.159 16.923 ( 0.284 1.154 22.143) 22.174 17.696 ( 0.832 -11.701 20.292) 23.439 18.131 ( 7.487 -5.174 -5.038) 10.403 18.262 ( -12.179 2.577 6.314) 13.959 18.563 ( -1.585 -6.090 -3.500) 7.201 18.724 ( 0.030 3.541 -7.037) 7.878 19.595 ( -3.645 -3.428 11.655) 12.684 20.890 ( 4.384 -12.689 -29.103) 32.050 22.891 ( -6.553 9.138 21.535) 24.294 24.073 ( 1.025 -7.893 5.027) 9.414 24.429 ( 0.078 2.786 -19.970) 20.164 25.053 ( 4.604 -3.574 -19.650) 20.497 ======================= Grid point 144 (74/125) ======================= q-point: (-0.43 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -5.643 14.009 9.983) 18.103 1.919 ( -16.862 3.901 1.856) 17.407 2.026 ( 2.652 -1.196 18.303) 18.532 2.330 ( -4.987 -8.434 0.348) 9.804 2.457 ( 5.626 -2.096 3.734) 7.070 2.550 ( -0.063 2.864 1.950) 3.465 2.778 ( 9.977 6.173 -5.784) 13.080 2.929 ( 7.620 -5.106 -7.549) 11.880 2.982 ( -7.581 1.981 14.293) 16.300 3.159 ( -5.201 5.987 -0.221) 7.934 3.540 ( -5.513 3.246 7.564) 9.907 3.787 ( -3.535 -0.389 15.148) 15.559 3.825 ( 0.719 -6.278 15.044) 16.318 3.880 ( -1.368 -0.337 9.421) 9.526 4.129 ( -3.831 4.827 1.632) 6.375 4.300 ( -1.387 -1.889 15.586) 15.761 4.506 ( 2.638 -6.181 -2.418) 7.142 4.971 ( -2.527 -5.786 4.446) 7.722 5.050 ( 2.554 7.060 -8.344) 11.224 5.100 ( -9.613 6.604 2.888) 12.015 5.372 ( -0.154 -0.367 1.284) 1.344 5.604 ( 1.333 7.070 -6.462) 9.671 5.688 ( 1.040 6.257 -12.501) 14.018 5.731 ( 2.196 1.376 -13.932) 14.171 6.652 ( -6.601 2.920 5.150) 8.867 6.817 ( -5.798 -3.112 2.124) 6.914 6.930 ( -5.766 8.171 19.468) 21.886 7.228 ( 3.144 0.984 7.604) 8.287 7.615 ( -0.662 -3.132 -1.610) 3.583 7.739 ( 7.280 -1.303 -0.637) 7.423 7.932 ( 1.339 0.799 1.275) 2.014 8.294 ( 3.448 4.168 -7.087) 8.916 8.542 ( -1.185 11.547 -2.813) 11.943 8.632 ( -2.524 8.444 -3.176) 9.368 8.921 ( -5.000 1.703 -3.191) 6.171 9.265 ( 4.552 0.973 -0.786) 4.720 9.376 ( 3.911 -1.022 7.345) 8.384 9.467 ( -3.043 3.069 10.741) 11.578 9.617 ( -5.837 12.879 5.649) 15.226 9.920 ( 3.934 0.583 -1.194) 4.152 10.015 ( 8.193 6.938 -13.023) 16.878 10.397 ( -5.637 10.453 -11.635) 16.626 10.804 ( 11.340 -4.468 1.712) 12.308 10.993 ( -9.507 -1.906 -3.473) 10.299 11.393 ( 6.208 5.851 7.533) 11.380 11.715 ( 0.078 0.764 6.841) 6.884 11.878 ( 1.896 -3.246 16.063) 16.497 12.241 ( -4.607 -3.383 -4.328) 7.169 12.299 ( 6.962 -6.101 -1.802) 9.431 12.607 ( 2.440 -8.339 -6.112) 10.623 13.204 ( -5.703 2.399 10.873) 12.510 13.632 ( -4.160 0.603 4.029) 5.822 13.964 ( 9.626 3.160 0.266) 10.135 14.125 ( -9.839 -11.877 -0.336) 15.427 14.419 ( 5.604 -7.941 2.921) 10.149 15.000 ( 6.523 -12.671 -6.249) 15.562 15.819 ( -8.423 5.666 0.337) 10.158 16.010 ( -2.260 3.089 0.330) 3.842 16.294 ( -0.134 0.817 -3.534) 3.630 16.432 ( -1.928 2.715 -7.939) 8.609 17.078 ( 5.259 -2.979 24.681) 25.410 17.715 ( -7.967 -11.580 17.634) 22.551 18.134 ( 2.851 2.870 1.198) 4.219 18.303 ( 7.088 -4.876 2.272) 8.898 18.498 ( -2.182 -5.798 -6.679) 9.110 18.758 ( 6.003 3.078 -5.799) 8.896 19.521 ( -7.848 -2.495 11.463) 14.114 20.827 ( -0.854 -12.765 -27.997) 30.781 22.880 ( -2.428 10.366 22.153) 24.578 24.096 ( -0.747 -8.142 5.870) 10.065 24.385 ( 2.900 3.717 -21.084) 21.605 25.060 ( 3.176 -3.891 -19.782) 20.410 ======================= Grid point 145 (75/125) ======================= q-point: (-0.29 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -18.478 12.723 2.056) 22.528 1.654 ( -7.199 9.527 14.551) 18.823 2.113 ( -2.563 1.201 7.563) 8.075 2.207 ( -4.715 -8.861 3.741) 10.712 2.461 ( -3.995 2.653 -0.103) 4.797 2.599 ( -0.292 0.459 6.510) 6.533 2.762 ( -1.751 3.993 -1.942) 4.773 3.010 ( -0.790 4.457 8.061) 9.245 3.084 ( 8.093 -1.252 5.360) 9.787 3.163 ( 7.219 2.423 0.497) 7.631 3.428 ( -6.419 10.740 5.675) 13.739 3.742 ( -6.294 -10.678 11.196) 16.703 3.854 ( -4.486 -8.654 4.125) 10.584 3.903 ( 1.749 0.337 10.831) 10.976 4.016 ( -6.677 7.084 4.443) 10.701 4.292 ( -4.792 -5.777 13.843) 15.747 4.544 ( 0.921 -4.858 -1.339) 5.123 4.846 ( -11.467 3.313 -2.284) 12.153 4.911 ( -4.825 -8.369 5.519) 11.126 5.151 ( 5.135 9.579 -5.022) 11.973 5.337 ( -2.127 0.260 -0.898) 2.324 5.604 ( -0.203 4.479 -9.986) 10.947 5.676 ( 2.035 1.960 -0.905) 2.967 5.750 ( 3.017 8.247 -11.780) 14.694 6.527 ( -7.455 2.790 3.055) 8.526 6.681 ( -8.276 -3.403 -0.525) 8.964 6.908 ( -3.665 7.467 19.332) 21.046 7.237 ( -4.280 -0.709 6.515) 7.827 7.679 ( 6.922 -0.109 0.576) 6.947 7.889 ( 8.538 -1.349 -1.669) 8.804 8.016 ( 5.538 1.604 6.081) 8.380 8.303 ( 0.373 6.957 -10.411) 12.527 8.540 ( -2.775 9.371 -2.712) 10.143 8.577 ( 3.622 8.177 0.066) 8.944 8.858 ( -1.621 -3.322 -2.486) 4.455 9.321 ( 0.375 8.259 1.850) 8.472 9.372 ( -6.199 0.943 8.785) 10.794 9.463 ( 3.604 -0.927 -0.779) 3.802 9.655 ( 3.596 6.681 15.141) 16.936 9.958 ( -0.219 -0.579 -1.144) 1.301 10.132 ( 3.008 12.398 -6.711) 14.415 10.336 ( 8.085 5.757 -15.278) 18.219 10.808 ( -7.051 -1.973 -4.143) 8.413 11.027 ( 10.793 -4.182 3.434) 12.073 11.501 ( 3.131 2.261 5.549) 6.761 11.799 ( 4.906 0.388 9.399) 10.610 11.884 ( -6.176 0.786 1.864) 6.499 12.157 ( -3.200 0.876 3.515) 4.833 12.401 ( 2.629 -2.564 -1.882) 4.127 12.671 ( 6.896 -8.573 -5.826) 12.449 13.163 ( -3.323 0.399 7.848) 8.532 13.492 ( -11.288 -6.324 5.598) 14.097 13.812 ( -7.285 -4.535 -7.242) 11.229 14.323 ( 17.612 4.174 7.656) 19.652 14.603 ( 9.258 -2.697 0.019) 9.643 15.188 ( 14.089 -11.041 -3.918) 18.323 15.442 ( -23.210 4.994 -2.049) 23.829 16.089 ( -5.083 2.369 -4.402) 7.129 16.153 ( -1.062 4.019 2.530) 4.866 16.404 ( -2.392 -3.730 -3.218) 5.476 17.213 ( 0.241 -5.994 19.011) 19.935 17.571 ( -9.937 -8.092 12.536) 17.927 18.197 ( -2.330 -3.944 0.896) 4.668 18.405 ( 6.592 -2.358 -3.884) 8.006 18.562 ( 9.436 -2.537 1.331) 9.861 18.914 ( 12.142 -1.179 -2.290) 12.412 19.405 ( -7.113 0.771 10.177) 12.441 20.667 ( -6.432 -13.165 -25.369) 29.297 22.944 ( 0.941 10.171 23.111) 25.268 24.076 ( -3.704 -7.974 7.396) 11.489 24.406 ( 7.010 3.990 -21.984) 23.417 25.041 ( 1.982 -4.313 -20.001) 20.557 ======================= Grid point 146 (76/125) ======================= q-point: (-0.14 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -14.033 15.328 6.774) 21.858 1.611 ( -3.690 11.781 15.695) 19.969 1.957 ( -9.014 1.511 -4.611) 10.237 2.208 ( -2.641 -4.294 12.122) 13.129 2.369 ( -4.822 3.968 0.488) 6.264 2.550 ( -3.161 -1.088 4.937) 5.963 2.824 ( 4.673 -0.262 0.997) 4.786 2.982 ( -3.708 5.700 8.036) 10.527 3.201 ( -0.680 15.319 16.372) 22.432 3.317 ( 4.486 6.062 3.734) 8.415 3.405 ( 5.469 -7.716 -2.963) 9.911 3.665 ( -3.075 -13.413 4.036) 14.341 3.715 ( -8.638 -3.996 0.352) 9.524 3.961 ( -1.701 -3.439 10.002) 10.712 3.990 ( 3.375 3.224 7.291) 8.657 4.244 ( -5.265 -7.426 15.562) 18.029 4.497 ( -5.171 -6.409 -0.249) 8.239 4.682 ( -4.445 2.846 -3.684) 6.436 4.818 ( -6.380 -4.205 2.274) 7.972 5.191 ( 0.182 4.791 -5.584) 7.360 5.353 ( 4.954 3.362 -0.418) 6.002 5.539 ( -2.503 3.020 -10.089) 10.825 5.704 ( 1.117 4.359 -5.333) 6.978 5.781 ( 2.690 6.916 -0.758) 7.459 6.400 ( -5.981 2.901 0.542) 6.670 6.542 ( -5.033 -1.959 -1.676) 5.655 6.912 ( -2.529 3.466 16.044) 16.607 7.189 ( -1.982 -3.074 7.707) 8.531 7.796 ( 3.685 1.071 -0.080) 3.838 8.018 ( 5.259 0.359 -2.983) 6.057 8.161 ( 6.953 3.411 6.204) 9.923 8.281 ( 1.462 4.923 -5.770) 7.724 8.504 ( 0.402 9.659 -1.823) 9.837 8.653 ( 2.387 6.906 -3.866) 8.267 8.825 ( -2.244 -5.163 5.959) 8.198 9.268 ( -2.854 6.778 2.529) 7.777 9.371 ( -1.445 2.025 11.428) 11.696 9.517 ( 3.487 0.054 -4.945) 6.051 9.759 ( -0.763 3.468 7.688) 8.468 9.924 ( -0.201 -2.732 2.319) 3.589 10.124 ( 1.731 2.346 -4.705) 5.535 10.455 ( 1.017 5.267 -7.997) 9.630 10.801 ( 11.119 4.820 -3.932) 12.741 11.229 ( 9.714 -2.927 3.465) 10.721 11.563 ( 0.838 -0.114 5.150) 5.219 11.700 ( -8.887 3.654 -1.623) 9.745 11.972 ( 8.607 1.393 3.860) 9.536 12.069 ( -8.972 6.558 4.760) 12.090 12.369 ( -4.330 -0.280 0.062) 4.339 12.796 ( 6.026 -7.099 -2.141) 9.554 13.032 ( -14.273 -1.004 0.703) 14.325 13.233 ( -11.984 -10.535 -1.856) 16.064 13.934 ( 17.535 4.518 1.747) 18.191 14.645 ( -5.309 10.459 -7.728) 14.046 14.703 ( 19.004 4.036 5.370) 20.157 15.028 ( -18.565 2.091 2.900) 18.906 15.462 ( 14.177 -9.537 -0.354) 17.090 15.879 ( -8.782 1.943 -4.577) 10.092 16.198 ( -2.013 0.617 5.688) 6.065 16.326 ( -2.525 -10.028 -3.745) 10.998 17.206 ( -6.155 -7.295 14.396) 17.273 17.479 ( -4.317 -7.309 13.053) 15.570 18.146 ( 0.171 -3.451 -3.493) 4.913 18.440 ( -2.307 -2.577 -7.232) 8.017 18.759 ( 8.277 -2.270 4.555) 9.716 19.126 ( 4.319 -7.354 14.538) 16.855 19.410 ( 8.114 5.065 -5.635) 11.101 20.451 ( -5.696 -13.365 -20.653) 25.251 23.054 ( 1.650 7.608 23.617) 24.867 24.016 ( -5.082 -6.961 8.248) 11.929 24.486 ( 8.804 3.185 -21.770) 23.697 25.005 ( 1.572 -4.581 -20.114) 20.689 ======================= Grid point 147 (77/125) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -1.699 14.709 4.368) 15.438 1.812 ( -1.579 9.475 1.228) 9.684 1.933 ( 1.320 2.451 3.959) 4.839 2.181 ( 0.698 1.062 8.414) 8.510 2.344 ( -3.157 1.301 0.601) 3.466 2.506 ( -0.376 -1.497 2.100) 2.606 2.803 ( 0.350 -2.379 0.003) 2.405 2.951 ( -6.956 -4.414 7.032) 10.831 3.205 ( 3.588 -11.712 -5.471) 13.416 3.264 ( -2.037 -1.764 5.873) 6.462 3.326 ( 1.092 -10.498 1.960) 10.735 3.567 ( -4.586 0.272 5.014) 6.800 3.835 ( -4.471 -6.494 8.528) 11.614 3.881 ( -0.196 10.037 9.485) 13.811 4.159 ( -2.870 -3.463 8.627) 9.729 4.190 ( 5.515 3.432 0.621) 6.525 4.268 ( -1.726 10.311 10.566) 14.864 4.674 ( -1.848 4.177 1.503) 4.808 4.788 ( 3.002 0.615 6.481) 7.169 5.147 ( -3.804 -2.583 -1.946) 4.993 5.541 ( -0.780 4.339 -9.877) 10.816 5.552 ( 3.055 5.137 -0.637) 6.011 5.808 ( 2.487 4.499 -10.405) 11.605 5.900 ( 0.639 2.983 -2.689) 4.066 6.398 ( 1.492 0.954 4.529) 4.863 6.488 ( 2.620 -1.147 -0.728) 2.952 6.938 ( -3.153 1.131 10.584) 11.101 7.104 ( -0.524 -5.500 10.335) 11.719 7.838 ( -1.740 2.115 -1.832) 3.295 8.036 ( 2.106 -3.443 -3.088) 5.082 8.285 ( -2.402 -0.276 1.887) 3.067 8.407 ( -0.406 7.984 7.069) 10.672 8.688 ( -3.913 0.381 -10.840) 11.531 8.731 ( 0.696 3.021 5.116) 5.982 8.830 ( 3.419 7.094 3.977) 8.822 9.294 ( -5.978 -3.565 -1.095) 7.046 9.387 ( 4.254 3.942 1.729) 6.052 9.556 ( 3.230 -1.629 -0.940) 3.738 9.749 ( -5.158 4.157 0.909) 6.686 9.944 ( 4.188 -6.303 5.213) 9.189 10.097 ( -4.223 4.282 4.256) 7.368 10.430 ( -3.341 1.209 2.723) 4.476 11.197 ( 9.819 7.615 4.960) 13.379 11.456 ( 9.998 2.787 2.134) 10.596 11.572 ( -2.310 4.125 0.037) 4.728 11.707 ( -1.463 1.964 1.007) 2.648 11.988 ( -16.748 7.493 -2.851) 18.568 12.160 ( -3.505 4.014 -6.146) 8.134 12.383 ( 10.845 3.002 6.364) 12.928 12.685 ( -10.250 1.608 0.182) 10.377 12.792 ( 5.148 -7.239 0.032) 8.882 12.986 ( -4.334 -4.811 0.211) 6.479 14.412 ( 4.914 9.520 3.663) 11.323 14.599 ( -12.504 4.402 3.324) 13.667 14.856 ( 5.850 0.085 5.671) 8.148 15.103 ( 10.557 1.129 -5.692) 12.047 15.519 ( -7.180 -3.046 1.925) 8.034 15.697 ( 4.243 -2.871 -3.274) 6.080 15.942 ( -14.549 -8.390 1.588) 16.869 16.140 ( 10.880 -12.368 -5.648) 17.413 17.055 ( -4.236 -0.788 18.140) 18.645 17.327 ( -2.934 -6.278 17.656) 18.967 18.114 ( -2.089 -0.888 -3.169) 3.899 18.274 ( -2.122 -3.524 -9.639) 10.480 18.841 ( -0.769 1.844 6.446) 6.748 19.123 ( 3.825 -6.445 13.373) 15.330 19.531 ( -2.341 6.785 -14.288) 15.989 20.187 ( 11.524 -12.788 -18.732) 25.440 23.260 ( -3.189 7.980 16.555) 18.653 23.818 ( -2.562 -8.342 9.445) 12.859 24.603 ( 5.459 2.277 -22.387) 23.155 24.872 ( 3.431 -5.521 -21.121) 22.098 ======================= Grid point 148 (78/125) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 6.647 7.972 5.412) 11.706 1.833 ( 3.565 8.801 1.808) 9.667 2.009 ( 4.679 0.733 5.192) 7.028 2.256 ( 4.373 3.596 7.267) 9.212 2.298 ( -2.303 2.083 2.958) 4.288 2.516 ( 0.491 -0.820 0.282) 0.996 2.748 ( -5.497 -0.937 1.181) 5.700 2.845 ( -5.598 -1.146 2.701) 6.320 3.201 ( -1.880 -10.367 -4.050) 11.288 3.276 ( -0.316 -3.598 8.693) 9.413 3.360 ( 2.863 -9.900 -2.813) 10.683 3.531 ( -2.434 -0.814 11.276) 11.564 3.792 ( -4.141 -6.540 12.826) 14.981 3.901 ( 2.013 -3.377 3.344) 5.161 4.215 ( 0.874 14.070 8.528) 16.476 4.275 ( 1.751 2.728 2.548) 4.123 4.288 ( 3.055 4.464 7.218) 9.020 4.720 ( 6.025 6.366 6.325) 10.809 4.921 ( 8.126 -2.816 5.520) 10.219 5.079 ( -1.594 -0.495 -3.312) 3.709 5.497 ( -0.818 4.453 -3.975) 6.025 5.604 ( 2.175 -0.537 -2.963) 3.715 5.809 ( 2.163 6.561 -13.745) 15.383 5.896 ( 0.901 4.567 -6.541) 8.028 6.491 ( 5.463 1.871 6.838) 8.950 6.586 ( 7.772 -0.317 -1.584) 7.938 6.960 ( 1.927 -1.189 10.187) 10.436 7.138 ( -0.373 -5.145 11.971) 13.035 7.749 ( -6.575 3.382 -1.313) 7.510 8.002 ( -4.571 -0.469 -3.738) 5.924 8.253 ( -4.289 -4.156 7.963) 9.954 8.348 ( -3.276 3.455 -4.408) 6.488 8.552 ( -7.329 1.260 -3.612) 8.267 8.787 ( 2.167 -1.016 9.008) 9.320 8.943 ( 7.027 7.936 -0.676) 10.621 9.169 ( -5.184 -0.996 -4.230) 6.764 9.466 ( 1.796 4.011 -0.166) 4.398 9.631 ( 3.590 4.295 6.131) 8.302 9.679 ( -0.379 4.083 -2.060) 4.589 9.952 ( -3.839 -10.482 -4.786) 12.146 10.088 ( 0.321 5.830 13.355) 14.575 10.396 ( -1.715 2.067 0.599) 2.752 11.273 ( -5.860 10.239 0.351) 11.803 11.466 ( -7.251 10.986 2.879) 13.474 11.570 ( 2.697 4.118 4.205) 6.474 11.664 ( -9.510 4.310 -6.303) 12.197 11.792 ( 3.639 -2.434 7.597) 8.768 12.034 ( -4.518 -1.513 -6.797) 8.301 12.512 ( -8.018 3.426 -0.636) 8.742 12.739 ( 21.859 2.643 5.386) 22.667 12.807 ( -6.816 -5.773 0.931) 8.980 12.996 ( 7.174 -3.087 2.092) 8.085 14.255 ( -15.018 9.900 7.370) 19.438 14.335 ( -13.061 6.824 -1.507) 14.813 15.010 ( -13.886 -12.549 1.899) 18.813 15.148 ( 2.734 -10.085 -0.430) 10.458 15.478 ( 11.263 7.511 -4.655) 14.315 15.698 ( -5.825 0.557 1.719) 6.099 15.897 ( 11.856 -5.184 -0.134) 12.941 16.387 ( 13.758 -10.019 -3.428) 17.361 17.026 ( -5.163 1.181 16.860) 17.672 17.354 ( -0.648 -7.633 18.146) 19.697 18.010 ( -4.921 -0.485 -5.102) 7.105 18.296 ( 4.819 -7.420 -4.425) 9.892 18.764 ( -8.780 3.639 5.683) 11.074 19.092 ( -10.088 -3.877 2.328) 11.056 19.502 ( 4.316 7.738 -4.254) 9.829 20.388 ( 14.346 -16.229 -21.655) 30.629 23.223 ( -6.363 8.431 16.488) 19.581 23.823 ( -0.356 -8.714 8.939) 12.488 24.600 ( 2.335 2.203 -21.983) 22.216 24.886 ( 5.406 -5.562 -20.868) 22.263 ======================= Grid point 149 (79/125) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 4.741 0.591 5.641) 7.393 1.931 ( 3.747 4.949 4.232) 7.513 2.122 ( 4.370 -2.543 6.139) 7.953 2.267 ( -1.261 -3.142 1.271) 3.616 2.394 ( 5.870 11.099 9.730) 15.884 2.527 ( 1.103 1.611 -1.005) 2.195 2.673 ( -0.856 2.603 0.343) 2.762 2.766 ( -2.780 1.327 -0.769) 3.175 3.137 ( -2.891 -8.457 -2.373) 9.247 3.257 ( -3.409 -4.552 5.619) 7.995 3.466 ( 6.663 -3.202 9.037) 11.676 3.537 ( -1.016 -7.041 8.331) 10.955 3.774 ( -1.922 -4.732 14.186) 15.078 3.960 ( 0.613 1.666 2.744) 3.268 4.159 ( -3.630 0.647 3.985) 5.430 4.325 ( 0.221 9.988 11.172) 14.987 4.431 ( 6.198 7.114 5.225) 10.785 4.856 ( 3.398 4.286 7.914) 9.620 5.095 ( 4.830 1.524 -4.076) 6.501 5.103 ( 8.906 -3.492 1.614) 9.701 5.457 ( -3.314 2.698 1.193) 4.437 5.631 ( 2.462 -4.243 -4.808) 6.868 5.804 ( 2.670 7.935 -15.344) 17.480 5.889 ( 1.030 6.150 -10.197) 11.952 6.621 ( 5.581 2.528 6.212) 8.725 6.739 ( 8.021 -0.127 -1.546) 8.170 7.062 ( 3.994 -1.661 10.276) 11.150 7.147 ( -3.597 -3.186 13.558) 14.384 7.618 ( -6.133 3.560 2.099) 7.396 7.849 ( -9.458 0.675 -3.412) 10.078 8.132 ( -7.667 1.102 -1.915) 7.979 8.354 ( 2.767 -9.620 3.530) 10.615 8.420 ( -4.669 4.021 -1.707) 6.394 8.859 ( 2.696 -1.566 4.281) 5.296 9.037 ( 1.854 5.986 -1.531) 6.451 9.119 ( 3.024 2.693 -4.517) 6.067 9.460 ( -2.173 2.721 5.302) 6.343 9.627 ( -4.273 8.422 1.140) 9.513 9.772 ( 6.086 4.991 -0.176) 7.873 9.851 ( -2.711 -4.220 -3.241) 5.971 10.181 ( 5.263 1.652 11.556) 12.805 10.333 ( -4.366 1.206 -3.781) 5.900 11.040 ( -11.932 10.728 -8.548) 18.181 11.363 ( -6.013 13.981 2.170) 15.373 11.502 ( -6.627 1.247 -4.169) 7.928 11.673 ( 3.294 1.733 11.786) 12.359 11.838 ( -1.767 -0.840 8.459) 8.682 11.988 ( 2.113 -3.842 -6.450) 7.800 12.372 ( -6.583 0.803 1.158) 6.732 12.614 ( -11.471 -6.551 0.206) 13.212 13.176 ( 17.260 0.164 3.075) 17.532 13.228 ( 18.719 1.448 7.437) 20.194 13.932 ( -17.707 9.914 0.297) 20.296 14.197 ( -3.783 0.998 1.621) 4.235 14.678 ( -20.264 -13.518 4.271) 24.730 14.955 ( -15.472 -18.774 -5.412) 24.922 15.638 ( 8.120 4.644 -1.864) 9.538 15.917 ( 19.173 12.225 0.427) 22.743 16.106 ( 9.306 -7.096 2.944) 12.067 16.556 ( 4.778 -3.767 -5.300) 8.069 16.981 ( -5.149 3.361 16.774) 17.866 17.417 ( 0.402 -8.934 18.562) 20.604 17.957 ( 1.436 -0.979 -3.195) 3.637 18.368 ( 3.252 -10.499 -2.406) 11.251 18.573 ( -12.593 4.451 3.963) 13.932 18.884 ( -9.332 -0.148 -3.729) 10.050 19.579 ( 2.882 5.348 0.922) 6.145 20.534 ( 9.068 -18.019 -24.186) 31.494 23.153 ( -6.495 10.383 16.806) 20.795 23.855 ( 0.358 -9.743 8.369) 12.849 24.556 ( 1.128 3.492 -21.724) 22.032 24.922 ( 5.569 -6.126 -20.721) 22.313 ======================= Grid point 150 (80/125) ======================= q-point: ( 0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 2.520 -5.692 7.004) 9.370 1.953 ( -2.395 3.863 5.931) 7.472 2.165 ( -2.344 -6.300 3.613) 7.631 2.256 ( -0.045 -4.799 -0.834) 4.871 2.492 ( -0.359 15.167 9.955) 18.146 2.555 ( 1.861 2.171 0.895) 2.996 2.728 ( 4.851 3.979 -3.646) 7.257 2.774 ( 5.989 2.918 -1.951) 6.942 3.088 ( -3.887 -5.398 8.428) 10.736 3.248 ( 1.980 -0.869 3.371) 4.005 3.511 ( -4.581 -10.443 7.582) 13.694 3.605 ( 1.920 -0.150 11.846) 12.001 3.850 ( 6.164 -2.135 9.967) 11.912 3.896 ( -6.614 9.615 5.807) 13.035 4.187 ( 3.099 -10.607 6.861) 13.007 4.354 ( -0.662 8.434 5.749) 10.229 4.482 ( -3.703 10.498 10.935) 15.604 4.895 ( -1.930 -2.800 7.062) 7.838 5.163 ( 4.367 6.567 -5.715) 9.740 5.260 ( 5.727 -2.142 -0.296) 6.121 5.381 ( -5.400 2.266 2.640) 6.424 5.643 ( -0.040 -6.082 -5.512) 8.208 5.816 ( 3.383 8.374 -12.755) 15.629 5.861 ( 1.086 7.521 -14.235) 16.136 6.715 ( 1.330 0.941 3.908) 4.234 6.827 ( -0.673 -1.035 1.340) 1.823 7.103 ( -2.571 1.871 16.033) 16.345 7.154 ( 1.151 0.273 7.104) 7.201 7.565 ( -1.169 0.365 2.970) 3.213 7.690 ( -4.455 -0.244 -2.277) 5.009 8.003 ( -4.863 1.823 0.907) 5.272 8.356 ( -0.579 4.493 1.761) 4.861 8.470 ( 6.708 -8.668 -0.154) 10.962 8.898 ( 1.108 5.274 -2.495) 5.939 9.044 ( -0.641 -3.634 -3.712) 5.234 9.198 ( 5.405 6.305 -2.933) 8.807 9.398 ( -7.044 3.722 9.128) 12.116 9.549 ( -2.070 4.034 3.930) 6.000 9.818 ( 0.281 5.999 4.498) 7.503 9.923 ( 9.463 3.486 -8.342) 13.088 10.141 ( -9.366 7.497 1.124) 12.050 10.429 ( 12.672 -4.617 1.733) 13.598 10.829 ( -7.979 8.298 -10.420) 15.527 11.183 ( -11.446 1.168 -8.027) 14.029 11.431 ( -0.394 6.735 6.141) 9.124 11.721 ( -2.537 -3.681 12.963) 13.712 11.824 ( -1.880 6.211 5.162) 8.292 12.070 ( 8.170 -1.848 -2.027) 8.618 12.276 ( -4.593 -2.691 2.407) 5.842 12.451 ( -4.308 -7.555 -1.030) 8.758 13.379 ( 1.124 5.953 7.199) 9.409 13.650 ( 19.347 -0.156 5.889) 20.224 13.696 ( -3.931 4.430 2.047) 6.267 14.136 ( -4.700 -4.143 -4.673) 7.816 14.300 ( -17.786 -12.424 3.504) 21.977 14.713 ( -6.421 -17.471 -5.285) 19.349 15.810 ( 9.274 5.567 3.452) 11.354 16.199 ( 5.107 4.728 -0.514) 6.978 16.242 ( 6.512 -0.496 0.925) 6.596 16.541 ( -2.310 0.545 -7.834) 8.186 16.965 ( -2.547 3.423 19.643) 20.101 17.481 ( -0.801 -10.157 18.838) 21.417 18.041 ( 7.606 -2.775 -1.460) 8.227 18.353 ( -10.601 6.125 3.435) 12.716 18.386 ( -0.184 -10.220 -3.717) 10.877 18.757 ( -2.510 -1.403 -4.516) 5.354 19.597 ( -1.356 5.012 1.460) 5.393 20.570 ( 3.844 -18.398 -25.132) 31.383 23.107 ( -4.195 12.129 17.212) 21.470 23.887 ( -0.056 -10.572 8.279) 13.428 24.507 ( 1.772 5.075 -21.908) 22.557 24.948 ( 4.496 -6.654 -20.774) 22.272 ======================= Grid point 151 (81/125) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -2.567 -6.015 7.661) 10.073 1.936 ( -1.593 4.528 7.060) 8.537 2.106 ( -3.004 -4.160 2.349) 5.643 2.220 ( -4.319 -0.977 -3.794) 5.831 2.465 ( -2.407 8.381 7.513) 11.510 2.591 ( 0.582 1.063 -1.076) 1.621 2.799 ( 4.144 -2.590 -2.556) 5.515 2.932 ( 8.061 2.305 -4.979) 9.751 3.032 ( -4.626 2.390 15.448) 16.302 3.322 ( 1.298 9.271 4.361) 10.328 3.415 ( -6.181 -13.624 6.410) 16.276 3.644 ( -0.291 -3.090 10.299) 10.756 3.806 ( -5.331 5.146 11.456) 13.644 4.012 ( 4.923 0.737 4.680) 6.833 4.262 ( 0.324 -1.980 11.032) 11.213 4.335 ( -1.474 6.442 -0.542) 6.631 4.404 ( -7.572 4.476 14.039) 16.567 4.832 ( -6.010 -5.337 6.745) 10.493 5.155 ( -9.122 3.275 -4.277) 10.594 5.279 ( 3.054 7.497 -0.774) 8.132 5.332 ( -1.702 -2.775 1.040) 3.418 5.630 ( 1.622 -3.391 -3.475) 5.119 5.787 ( -0.726 7.853 -11.225) 13.718 5.887 ( 4.781 7.513 -14.605) 17.105 6.675 ( -6.400 -0.776 3.090) 7.149 6.732 ( -7.652 -3.810 3.247) 9.144 7.094 ( -5.022 6.539 15.736) 17.765 7.238 ( 2.832 -0.070 6.781) 7.349 7.565 ( 2.181 -1.357 -0.504) 2.617 7.679 ( 3.360 -4.073 -2.916) 6.032 8.002 ( 3.199 6.366 9.559) 11.922 8.385 ( 3.407 5.871 -5.130) 8.509 8.581 ( 3.797 -4.421 3.667) 6.886 8.891 ( -1.643 13.424 -2.979) 13.848 8.944 ( -5.053 -3.002 -9.934) 11.542 9.287 ( 4.433 2.577 -1.325) 5.296 9.369 ( 0.797 0.751 8.407) 8.478 9.509 ( -5.416 0.391 5.577) 7.784 9.858 ( 0.693 5.906 7.728) 9.751 9.927 ( -5.699 4.273 -0.223) 7.126 10.175 ( 13.873 8.592 -6.817) 17.685 10.578 ( -7.370 5.424 -6.246) 11.079 10.710 ( 8.471 -3.176 -2.975) 9.524 10.951 ( -8.765 -2.528 -9.294) 13.023 11.501 ( 3.247 4.668 6.660) 8.757 11.757 ( 3.358 -6.751 11.006) 13.341 11.821 ( 1.131 8.122 9.557) 12.593 12.159 ( -3.077 -1.040 -3.142) 4.519 12.277 ( 7.657 -0.601 1.951) 7.925 12.445 ( 3.445 -7.019 -4.408) 8.976 13.300 ( -7.826 6.887 10.351) 14.691 13.629 ( -9.326 -0.378 4.296) 10.275 13.885 ( -11.178 -10.637 -0.599) 15.441 14.060 ( 18.699 5.080 -0.538) 19.385 14.207 ( 3.451 -11.817 2.671) 12.597 14.723 ( 9.175 -13.879 -5.525) 17.531 15.948 ( -2.165 6.675 2.712) 7.523 16.103 ( -5.470 5.290 0.814) 7.652 16.306 ( -2.595 0.651 -1.575) 3.104 16.475 ( -2.620 1.196 -7.014) 7.582 17.025 ( 0.673 -1.440 21.869) 21.927 17.477 ( -6.812 -12.176 17.390) 22.295 18.202 ( 9.596 -0.517 -5.072) 10.867 18.248 ( -2.809 3.991 7.540) 8.982 18.375 ( 3.122 -5.941 -5.716) 8.816 18.744 ( 1.755 -4.725 -2.358) 5.565 19.549 ( -3.436 6.379 0.476) 7.262 20.514 ( -0.870 -17.727 -24.526) 30.274 23.114 ( -1.353 12.647 17.405) 21.557 23.903 ( -1.351 -10.854 8.729) 13.994 24.483 ( 3.758 6.002 -22.391) 23.484 24.950 ( 3.163 -6.859 -20.986) 22.304 ======================= Grid point 152 (82/125) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -7.302 3.741 6.094) 10.221 1.894 ( -4.757 8.539 7.009) 12.028 2.060 ( -5.355 -1.762 -6.555) 8.646 2.134 ( -0.790 0.029 9.890) 9.921 2.472 ( -0.637 -0.645 -0.385) 0.984 2.592 ( 1.221 -0.576 0.721) 1.530 2.763 ( -8.541 -2.926 3.220) 9.585 2.984 ( 6.248 -2.586 -4.332) 8.031 3.131 ( 3.251 3.952 6.551) 8.313 3.239 ( -5.655 -4.782 4.262) 8.544 3.400 ( -1.747 -0.978 6.184) 6.500 3.676 ( -0.998 -6.213 11.484) 13.096 3.773 ( -2.215 8.228 13.115) 15.640 4.009 ( -4.456 0.431 -2.664) 5.209 4.215 ( -7.128 14.506 10.770) 19.422 4.298 ( -5.706 6.850 11.985) 14.937 4.365 ( -1.193 -10.408 3.266) 10.973 4.770 ( -2.257 -4.258 6.055) 7.739 4.915 ( -12.355 2.792 -0.758) 12.690 5.275 ( -3.952 -5.100 2.094) 6.783 5.363 ( 5.413 9.091 -3.405) 11.115 5.685 ( 4.376 -0.779 0.012) 4.445 5.729 ( -1.715 7.278 -11.852) 14.014 5.904 ( 1.746 6.044 -11.203) 12.849 6.541 ( -7.709 -1.355 1.850) 8.043 6.599 ( -6.968 -4.250 1.259) 8.259 7.043 ( -5.387 5.261 14.621) 16.446 7.209 ( -7.182 -1.695 8.163) 11.004 7.677 ( 8.394 -0.420 -0.019) 8.404 7.795 ( 9.183 -5.898 -3.128) 11.353 8.142 ( 6.560 9.724 11.934) 16.733 8.401 ( -0.018 4.637 -8.736) 9.891 8.652 ( 2.811 1.533 5.663) 6.505 8.794 ( -3.832 8.828 -3.208) 10.144 8.879 ( -1.259 5.659 -10.189) 11.723 9.341 ( -0.272 -0.940 3.103) 3.254 9.416 ( -1.701 -1.596 3.502) 4.207 9.437 ( 2.084 -0.834 1.480) 2.689 9.825 ( -4.327 6.774 10.771) 13.439 9.898 ( -1.117 -2.607 0.783) 2.942 10.335 ( -7.531 7.276 -0.640) 10.491 10.466 ( 10.882 5.523 -8.842) 15.070 10.776 ( -1.327 -0.909 -4.565) 4.840 10.961 ( 12.447 -2.407 -1.535) 12.770 11.564 ( 1.908 4.577 4.594) 6.760 11.827 ( 1.135 0.331 9.178) 9.253 11.933 ( 1.255 4.682 2.084) 5.276 12.149 ( 5.632 -0.182 5.921) 8.174 12.404 ( 3.759 0.989 -0.894) 3.989 12.507 ( 5.164 -6.807 -7.397) 11.301 13.205 ( -6.647 3.457 8.645) 11.440 13.376 ( -17.999 -4.177 2.900) 18.703 13.745 ( 1.817 -1.592 -1.056) 2.637 14.378 ( 12.662 -9.177 10.300) 18.725 14.460 ( 21.462 -0.439 -3.134) 21.694 14.942 ( 13.206 -10.803 -4.492) 17.644 15.653 ( -20.099 13.086 -2.874) 24.155 16.121 ( -5.152 0.809 -0.495) 5.239 16.194 ( -3.833 -0.129 4.199) 5.687 16.347 ( -8.852 -2.513 -7.174) 11.668 17.086 ( -2.643 -5.191 19.592) 20.439 17.384 ( -7.231 -9.994 16.869) 20.898 18.189 ( -3.688 2.765 -0.106) 4.610 18.374 ( 7.932 -0.934 -6.353) 10.206 18.516 ( 10.930 -1.795 0.979) 11.119 18.804 ( 4.995 -8.626 3.912) 10.708 19.501 ( -0.341 8.632 -2.780) 9.075 20.374 ( -5.382 -15.640 -22.597) 28.004 23.166 ( 0.405 11.657 17.282) 20.850 23.891 ( -3.192 -10.311 9.248) 14.214 24.501 ( 6.208 5.519 -22.681) 24.155 24.928 ( 2.197 -6.647 -21.209) 22.334 ======================= Grid point 153 (83/125) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -9.584 14.033 4.038) 17.467 1.845 ( -3.109 10.672 7.943) 13.662 1.953 ( -3.292 -0.184 -4.025) 5.203 2.160 ( -0.919 -1.311 9.601) 9.734 2.414 ( -3.819 0.677 -1.914) 4.325 2.549 ( -5.714 0.125 3.314) 6.607 2.739 ( 4.982 -5.341 0.493) 7.321 3.056 ( -7.026 -4.917 7.021) 11.084 3.111 ( 7.173 -6.446 -5.072) 10.896 3.266 ( 2.047 -7.018 0.798) 7.353 3.352 ( -5.330 -1.619 9.017) 10.599 3.649 ( -4.869 -3.942 5.664) 8.446 3.819 ( 1.323 13.157 13.974) 19.239 3.907 ( -4.597 -0.726 0.489) 4.679 4.137 ( -2.731 9.333 6.115) 11.487 4.236 ( -5.802 2.232 13.311) 14.691 4.303 ( -5.507 -3.136 5.599) 8.457 4.732 ( -4.554 2.441 -2.061) 5.563 4.770 ( -2.159 -0.728 5.396) 5.857 5.215 ( -3.269 -4.339 1.462) 5.626 5.457 ( 5.658 7.628 -2.554) 9.834 5.637 ( -3.694 6.189 -10.481) 12.720 5.770 ( 4.327 1.649 -3.257) 5.661 5.895 ( 0.924 3.955 -6.020) 7.262 6.422 ( -4.817 -0.577 1.548) 5.092 6.498 ( -3.447 -2.492 0.165) 4.256 6.989 ( -5.450 3.307 12.099) 13.676 7.112 ( -4.617 -3.951 9.265) 11.080 7.812 ( 4.889 0.375 -0.376) 4.918 7.953 ( 7.403 -5.238 -2.257) 9.345 8.306 ( 6.188 9.547 11.374) 16.088 8.342 ( -2.843 3.375 -4.973) 6.648 8.706 ( 1.411 5.300 -0.936) 5.564 8.769 ( 0.326 1.307 1.281) 1.859 8.803 ( -2.626 8.571 -6.655) 11.164 9.322 ( -1.140 -1.378 6.476) 6.718 9.401 ( -2.403 -0.174 -0.910) 2.575 9.496 ( 3.766 -2.543 -2.319) 5.102 9.827 ( -0.074 -4.842 0.665) 4.888 9.855 ( -2.194 4.913 10.301) 11.622 10.188 ( -6.358 4.122 0.247) 7.581 10.503 ( -4.035 -0.675 -0.046) 4.092 10.937 ( 15.620 7.495 -1.091) 17.359 11.207 ( 13.792 0.057 -0.368) 13.797 11.597 ( -0.246 3.950 3.021) 4.979 11.781 ( -5.518 3.217 0.977) 6.462 12.041 ( 9.555 5.901 1.982) 11.404 12.205 ( -5.040 6.408 5.677) 9.934 12.390 ( -4.390 1.105 -0.894) 4.614 12.628 ( 9.156 -9.105 -3.583) 13.401 13.001 ( -19.214 -2.342 -1.668) 19.428 13.093 ( -7.498 -3.013 3.025) 8.628 14.016 ( 23.409 4.575 4.770) 24.324 14.639 ( 7.574 -6.808 9.843) 14.163 14.833 ( 18.818 4.236 -5.942) 20.183 15.020 ( -10.737 -3.379 1.692) 11.383 15.411 ( 3.211 5.926 -2.931) 7.350 15.905 ( -13.293 0.418 -2.466) 13.526 16.132 ( -7.409 -8.947 -6.697) 13.409 16.145 ( -7.553 -5.699 3.014) 9.930 17.072 ( -4.507 -3.734 18.662) 19.558 17.339 ( -4.369 -6.838 17.419) 19.217 18.135 ( -0.952 2.019 -3.311) 3.993 18.387 ( -3.134 -2.957 -9.655) 10.572 18.732 ( 9.621 -0.278 3.956) 10.407 18.963 ( 7.242 -8.148 13.423) 17.292 19.536 ( 5.420 7.474 -10.374) 13.887 20.191 ( -4.419 -12.517 -19.663) 23.724 23.231 ( -0.075 9.606 16.924) 19.460 23.852 ( -4.045 -9.164 9.516) 13.817 24.555 ( 7.240 3.834 -22.624) 24.061 24.895 ( 2.071 -6.084 -21.285) 22.234 ======================= Grid point 154 (84/125) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -2.419 11.784 2.225) 12.234 1.901 ( -1.251 -5.095 5.876) 7.878 1.997 ( -0.610 8.590 -3.317) 9.228 2.153 ( 0.465 -5.090 2.180) 5.556 2.406 ( -0.678 4.678 2.009) 5.136 2.481 ( 0.173 -1.671 0.458) 1.741 2.737 ( 1.185 -2.867 4.154) 5.185 2.789 ( -0.113 -7.539 3.263) 8.216 3.103 ( 1.805 0.955 -5.274) 5.656 3.170 ( 2.130 -4.432 -4.157) 6.439 3.361 ( -8.068 7.708 15.752) 19.303 3.500 ( -5.296 -5.136 9.847) 12.304 3.712 ( -4.730 -3.076 10.042) 11.519 3.788 ( -7.553 -9.884 5.754) 13.705 4.193 ( 3.688 4.514 -0.359) 5.840 4.241 ( 3.602 0.243 -0.923) 3.726 4.619 ( -1.394 14.542 6.095) 15.829 4.773 ( 1.337 -2.015 6.607) 7.036 4.804 ( -0.085 8.555 6.405) 10.687 5.020 ( -1.464 -9.680 3.438) 10.376 5.625 ( -1.075 4.154 -5.267) 6.793 5.653 ( -3.966 2.582 0.050) 4.732 5.870 ( 5.570 2.332 -11.696) 13.163 5.918 ( 3.281 -1.407 -8.252) 8.991 6.411 ( 2.227 1.106 5.500) 6.036 6.450 ( 2.774 -2.347 2.996) 4.710 6.962 ( -3.565 1.333 9.125) 9.887 7.008 ( -1.778 -3.538 9.951) 10.710 7.883 ( 0.361 2.469 -0.897) 2.651 7.948 ( 2.090 -4.093 -0.553) 4.628 8.364 ( -4.778 6.858 -0.119) 8.359 8.492 ( -3.766 -2.719 2.781) 5.413 8.679 ( -2.515 1.936 -3.023) 4.383 8.731 ( -1.747 -1.556 4.431) 5.011 9.024 ( 0.251 9.828 -1.286) 9.915 9.190 ( -3.635 -6.402 -0.664) 7.392 9.419 ( 5.658 0.776 -1.989) 6.048 9.486 ( 6.010 -5.311 -1.776) 8.215 9.813 ( -1.388 3.613 2.873) 4.820 9.874 ( -1.968 -1.888 3.564) 4.487 10.245 ( -2.388 8.544 9.612) 13.080 10.392 ( -1.965 -5.051 6.780) 8.680 11.350 ( 11.145 7.073 5.378) 14.253 11.459 ( 12.387 -3.094 3.390) 13.210 11.657 ( -3.210 4.363 0.227) 5.421 11.721 ( -3.823 -1.316 -0.723) 4.107 12.121 ( -15.671 5.792 -5.184) 17.493 12.199 ( -11.634 -1.125 -6.818) 13.532 12.479 ( 14.089 6.307 5.287) 16.316 12.629 ( 10.145 -8.247 3.057) 13.427 12.761 ( -7.938 5.668 -0.075) 9.754 12.884 ( -5.862 -5.687 0.046) 8.167 14.560 ( 7.389 4.987 5.561) 10.507 14.621 ( -1.970 -1.238 5.886) 6.329 14.908 ( -1.838 5.139 4.388) 7.003 15.042 ( -2.235 -6.575 0.720) 6.982 15.541 ( 1.985 4.678 -4.842) 7.019 15.638 ( 1.833 -3.648 -5.486) 6.839 15.826 ( -8.875 -1.760 0.154) 9.050 15.903 ( 4.524 -9.185 -2.931) 10.650 17.100 ( -3.272 4.558 20.012) 20.784 17.209 ( -3.234 -5.691 19.430) 20.503 18.131 ( -3.540 2.322 -5.123) 6.645 18.197 ( -3.592 -3.851 -7.662) 9.297 18.901 ( 1.715 3.989 6.890) 8.144 18.999 ( 3.405 -5.621 9.446) 11.507 19.704 ( 2.454 10.229 -16.160) 19.282 19.934 ( 7.333 -12.161 -17.684) 22.680 23.439 ( -2.904 9.456 12.728) 16.120 23.634 ( -2.596 -9.616 10.673) 14.599 24.665 ( 4.629 3.943 -22.666) 23.467 24.760 ( 3.986 -5.332 -22.103) 23.084 ======================= Grid point 155 (85/125) ======================= q-point: ( 0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 1.502 11.343 2.958) 11.819 1.915 ( 0.207 -4.540 7.720) 8.959 2.016 ( 3.617 4.858 -2.541) 6.568 2.162 ( -0.005 -7.696 -0.822) 7.740 2.445 ( 4.001 6.576 2.882) 8.219 2.520 ( 3.400 -0.302 -0.808) 3.508 2.717 ( -2.911 0.013 3.972) 4.925 2.796 ( -1.052 -5.798 4.494) 7.411 3.094 ( -1.580 3.499 -6.498) 7.548 3.204 ( 2.339 -5.581 -4.230) 7.384 3.316 ( -1.483 5.258 16.172) 17.070 3.451 ( -4.062 -6.764 15.802) 17.662 3.671 ( -2.343 -3.090 8.806) 9.622 3.729 ( -0.029 -8.061 3.560) 8.812 4.323 ( 7.470 2.813 3.489) 8.711 4.351 ( 5.909 0.841 2.873) 6.624 4.577 ( -3.671 15.254 5.323) 16.568 4.815 ( 1.931 -8.256 3.718) 9.259 4.885 ( 5.530 9.194 6.530) 12.560 5.033 ( 2.609 -4.728 1.145) 5.520 5.567 ( -3.566 2.229 -0.753) 4.272 5.590 ( -2.853 -0.470 -0.401) 2.919 5.919 ( 4.203 3.860 -13.732) 14.871 5.955 ( 3.853 0.684 -11.376) 12.030 6.519 ( 6.511 1.486 5.910) 8.918 6.559 ( 7.484 -2.136 1.728) 7.973 6.970 ( 0.903 2.023 10.028) 10.270 7.038 ( 0.603 -4.481 11.712) 12.554 7.833 ( -4.960 4.733 -0.479) 6.873 7.934 ( -3.148 -5.116 -0.729) 6.051 8.256 ( -7.184 4.421 3.097) 8.986 8.362 ( -9.000 -4.069 -2.485) 10.185 8.609 ( -3.954 5.594 -0.145) 6.852 8.725 ( -0.252 -4.784 2.670) 5.484 9.065 ( 3.818 4.631 0.511) 6.024 9.135 ( -1.389 -2.391 -1.450) 3.122 9.516 ( 4.332 2.664 -2.951) 5.880 9.615 ( 7.445 -6.246 -1.797) 9.883 9.779 ( -1.626 4.613 2.230) 5.376 9.831 ( -2.917 -1.357 1.882) 3.727 10.252 ( -1.396 8.803 10.849) 14.041 10.386 ( -1.762 -3.636 6.090) 7.308 11.476 ( -2.427 9.320 1.798) 9.797 11.602 ( -0.358 -0.131 -0.036) 0.383 11.625 ( -0.940 2.448 4.062) 4.834 11.706 ( 2.602 -4.248 5.867) 7.697 11.794 ( -12.579 8.200 -6.561) 16.387 11.957 ( -8.482 -6.428 -6.161) 12.297 12.588 ( -7.778 4.292 0.527) 8.900 12.689 ( -6.595 -5.591 0.711) 8.675 12.833 ( 17.405 5.582 3.538) 18.617 12.932 ( 12.354 -3.827 2.923) 13.259 14.417 ( -13.351 7.511 9.971) 18.278 14.485 ( -13.487 4.907 1.573) 14.438 14.785 ( -18.530 -6.467 2.486) 19.783 14.885 ( -12.151 -12.709 -3.173) 17.868 15.625 ( 7.736 7.288 -4.884) 11.697 15.771 ( 9.504 -6.766 -2.358) 11.903 15.860 ( 13.722 12.276 0.904) 18.434 16.136 ( 17.271 -13.963 -1.632) 22.269 17.097 ( -3.944 5.298 18.924) 20.044 17.217 ( -2.601 -6.303 19.143) 20.321 18.042 ( -3.329 3.590 -4.460) 6.623 18.149 ( 0.152 -6.670 -4.612) 8.111 18.860 ( -7.520 5.658 5.351) 10.826 18.983 ( -7.179 -6.179 5.192) 10.801 19.733 ( 5.815 14.271 -13.802) 20.688 20.052 ( 10.051 -16.692 -18.387) 26.790 23.416 ( -3.947 10.350 12.786) 16.917 23.628 ( -1.833 -10.357 10.514) 14.872 24.665 ( 3.525 4.286 -22.420) 23.097 24.769 ( 4.724 -5.752 -21.838) 23.071 ======================= Grid point 156 (86/125) ======================= q-point: ( 0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.661 8.569 3.068) 9.125 1.940 ( -1.228 -6.735 6.838) 9.676 2.080 ( 2.500 1.652 -0.146) 3.000 2.162 ( 0.599 -5.402 -0.811) 5.495 2.539 ( 3.591 4.671 -0.278) 5.898 2.590 ( 5.136 1.186 -1.091) 5.382 2.726 ( 3.776 3.113 -0.175) 4.897 2.817 ( 2.490 -3.474 9.731) 10.628 3.016 ( -4.844 5.172 -0.869) 7.140 3.189 ( -3.028 -6.159 5.691) 8.916 3.432 ( 6.584 0.409 10.867) 12.712 3.445 ( -2.332 -1.861 15.020) 15.313 3.702 ( 2.488 -0.791 8.210) 8.615 3.798 ( 5.700 -9.374 4.420) 11.828 4.328 ( -6.821 8.278 1.769) 10.871 4.427 ( -1.429 -0.887 6.406) 6.623 4.627 ( 5.841 12.265 7.351) 15.446 4.859 ( -0.638 -8.069 9.069) 12.156 5.052 ( 10.879 4.057 -0.756) 11.635 5.130 ( 7.116 -1.175 -1.903) 7.459 5.491 ( -4.598 1.590 2.581) 5.508 5.544 ( -1.814 -3.620 -0.515) 4.082 5.941 ( 3.284 4.769 -14.607) 15.712 5.977 ( 2.767 1.548 -13.553) 13.919 6.667 ( 6.603 2.351 3.515) 7.841 6.716 ( 7.903 -2.137 -0.306) 8.193 7.050 ( 3.062 0.597 11.538) 11.952 7.085 ( -0.635 -2.687 13.624) 13.901 7.720 ( -6.237 5.926 0.891) 8.649 7.826 ( -7.628 -3.553 -2.598) 8.807 8.136 ( -6.923 0.878 5.568) 8.928 8.202 ( -5.485 -5.391 3.897) 8.622 8.546 ( -1.814 8.600 -2.905) 9.257 8.736 ( 1.253 -8.986 -1.620) 9.217 9.122 ( 1.064 3.123 -1.131) 3.488 9.158 ( 4.689 0.051 0.350) 4.702 9.528 ( -2.446 4.570 1.078) 5.294 9.646 ( -4.407 -5.952 1.444) 7.546 9.836 ( 7.295 3.458 -5.088) 9.542 9.871 ( 7.880 1.786 -0.339) 8.087 10.256 ( -1.072 5.817 9.944) 11.570 10.345 ( -4.740 -1.667 5.102) 7.160 11.266 ( -13.999 11.012 -7.940) 19.501 11.441 ( -13.533 -5.050 -10.146) 17.652 11.584 ( -2.926 5.711 5.595) 8.513 11.682 ( -2.843 -3.123 8.161) 9.189 11.832 ( 6.635 3.363 4.629) 8.761 11.924 ( 4.160 -3.929 -1.307) 5.870 12.412 ( -10.286 3.394 1.524) 10.938 12.500 ( -11.600 -4.988 0.904) 12.659 13.209 ( 18.771 2.557 3.890) 19.340 13.245 ( 18.866 -0.422 5.942) 19.784 14.146 ( -19.417 10.948 1.080) 22.317 14.253 ( -8.845 4.082 0.552) 9.757 14.438 ( -20.042 -8.623 5.973) 22.621 14.566 ( -14.896 -17.111 -4.109) 23.056 15.772 ( 8.650 7.926 -0.192) 11.734 15.942 ( 8.621 -8.544 1.757) 12.264 16.182 ( 16.807 13.024 -2.018) 21.358 16.419 ( 11.822 -9.705 -4.326) 15.895 17.087 ( -3.651 6.849 18.132) 19.724 17.243 ( -1.454 -8.311 18.427) 20.267 17.998 ( 0.171 5.084 -1.908) 5.433 18.154 ( 1.280 -9.818 -2.067) 10.115 18.689 ( -11.147 6.579 3.124) 13.316 18.819 ( -9.832 -5.603 1.102) 11.370 19.794 ( 4.456 15.156 -11.626) 19.614 20.151 ( 6.781 -19.133 -19.150) 27.906 23.385 ( -3.671 12.301 13.155) 18.381 23.634 ( -1.364 -11.895 10.530) 15.945 24.651 ( 3.076 5.884 -22.224) 23.195 24.785 ( 4.664 -7.080 -21.667) 23.266 ======================= Grid point 157 (87/125) ======================= q-point: ( 0.43 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -1.587 5.151 3.804) 6.597 1.906 ( -3.667 -9.167 4.718) 10.942 2.096 ( -0.034 2.024 -1.215) 2.361 2.166 ( 0.035 -4.172 -1.531) 4.444 2.598 ( 3.137 4.745 0.511) 5.711 2.695 ( 4.874 -2.595 1.369) 5.689 2.794 ( 1.763 7.012 -1.632) 7.412 2.906 ( -3.922 -2.852 -2.695) 5.548 2.964 ( 5.073 7.068 15.404) 17.692 3.181 ( -0.675 -8.504 12.259) 14.935 3.448 ( -0.873 4.640 10.537) 11.546 3.561 ( 0.841 -4.550 14.592) 15.308 3.832 ( 8.090 1.830 6.235) 10.377 3.942 ( 6.925 -8.221 3.857) 11.420 4.173 ( -8.663 11.956 2.105) 14.914 4.379 ( -4.270 -6.079 3.188) 8.084 4.709 ( -1.736 9.886 11.123) 14.982 4.843 ( -4.394 -3.224 11.033) 12.306 5.224 ( 5.825 0.274 -2.075) 6.189 5.248 ( 5.006 0.222 -3.910) 6.356 5.419 ( -3.459 3.120 2.426) 5.252 5.518 ( -0.562 -5.915 -0.680) 5.980 5.949 ( 2.457 4.347 -13.201) 14.114 5.972 ( 2.347 2.432 -15.105) 15.478 6.741 ( -1.136 2.048 2.668) 3.550 6.792 ( -2.032 -2.530 1.724) 3.674 7.123 ( 2.221 0.863 10.738) 10.999 7.145 ( 3.037 -1.163 8.163) 8.787 7.617 ( -5.356 3.580 0.550) 6.465 7.672 ( -6.218 -1.666 -1.961) 6.730 8.069 ( -0.685 5.589 10.232) 11.679 8.238 ( 5.129 -10.491 13.228) 17.645 8.528 ( 1.508 10.092 -6.575) 12.139 8.760 ( 2.361 -11.780 -5.440) 13.189 9.142 ( 1.240 7.222 -1.176) 7.421 9.248 ( 4.430 -2.034 -0.387) 4.890 9.463 ( -5.054 3.949 4.920) 8.084 9.553 ( -5.228 -3.549 3.315) 7.136 9.960 ( 3.567 6.238 -5.934) 9.320 10.003 ( 7.110 2.658 -5.557) 9.407 10.266 ( -3.661 4.302 6.688) 8.754 10.340 ( 7.909 -3.757 6.938) 11.172 10.992 ( -11.567 7.901 -10.402) 17.448 11.134 ( -14.187 -5.376 -12.117) 19.416 11.548 ( -2.195 4.668 6.336) 8.170 11.638 ( -3.856 -4.393 6.935) 9.070 11.963 ( 4.242 6.537 4.185) 8.845 12.056 ( 9.478 -1.974 1.261) 9.764 12.246 ( -7.347 1.420 3.622) 8.314 12.326 ( -5.722 -5.261 2.059) 8.042 13.504 ( 7.753 6.384 5.257) 11.335 13.620 ( 15.731 -4.018 5.589) 17.171 13.824 ( -12.144 8.332 1.485) 14.803 14.014 ( -15.476 -9.489 -2.825) 18.372 14.179 ( -5.793 3.460 1.637) 6.943 14.375 ( -3.999 -14.445 -2.331) 15.168 15.940 ( 8.034 7.234 4.501) 11.710 16.093 ( 5.555 -7.539 5.202) 10.713 16.403 ( 6.807 8.231 -4.976) 11.783 16.520 ( 1.212 -3.144 -6.928) 7.704 17.076 ( -4.190 7.742 17.874) 19.925 17.269 ( -2.987 -10.643 17.105) 20.366 18.046 ( 5.427 3.601 -0.098) 6.514 18.180 ( 2.523 -9.135 -1.767) 9.641 18.503 ( -8.603 8.198 2.562) 12.156 18.664 ( -6.185 -7.077 0.431) 9.409 19.810 ( 1.356 15.335 -11.360) 19.132 20.175 ( 2.939 -19.770 -19.664) 28.039 23.372 ( -2.450 13.737 13.542) 19.445 23.646 ( -1.171 -13.010 10.732) 16.906 24.634 ( 3.224 7.380 -22.265) 23.676 24.795 ( 4.091 -8.141 -21.702) 23.537 ======================= Grid point 158 (88/125) ======================= q-point: (-0.43 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.358 2.712 4.800) 5.525 1.864 ( -1.697 -8.200 3.739) 9.171 2.095 ( 0.637 2.769 -0.556) 2.895 2.160 ( 0.106 -3.591 -2.051) 4.137 2.628 ( -0.757 3.568 -0.453) 3.676 2.687 ( -9.109 5.072 2.795) 10.794 2.762 ( -0.088 1.646 -0.536) 1.733 2.895 ( 2.120 -5.478 -3.178) 6.678 3.088 ( 1.743 3.747 11.953) 12.647 3.197 ( -3.120 -6.372 11.988) 13.930 3.500 ( 2.028 6.652 11.000) 13.014 3.586 ( -2.609 -3.041 15.531) 16.040 3.910 ( -4.608 3.158 6.885) 8.866 4.036 ( 1.093 -5.138 2.939) 6.019 4.130 ( 4.258 5.739 2.508) 7.573 4.331 ( 0.125 -7.460 -2.126) 7.758 4.655 ( -7.176 11.618 14.022) 19.573 4.779 ( -5.950 -1.572 10.758) 12.394 5.188 ( -9.045 0.770 -0.804) 9.113 5.234 ( -4.858 -4.179 0.972) 6.482 5.434 ( 4.495 6.244 -1.308) 7.805 5.545 ( 3.852 -4.826 -0.954) 6.248 5.930 ( 0.418 5.490 -12.695) 13.837 5.980 ( 3.030 1.096 -14.617) 14.968 6.649 ( -8.243 -0.396 3.323) 8.896 6.673 ( -9.248 -2.312 3.820) 10.269 7.184 ( -2.171 2.811 10.381) 10.972 7.224 ( 0.971 -1.297 7.439) 7.613 7.561 ( 1.624 0.900 -2.061) 2.774 7.602 ( 0.608 -3.110 -2.593) 4.094 8.188 ( 7.170 11.360 14.279) 19.605 8.421 ( 7.774 -10.638 10.879) 17.087 8.550 ( 3.103 10.259 -5.852) 12.211 8.777 ( 1.596 -11.181 -7.985) 13.832 9.146 ( -1.033 11.239 0.643) 11.305 9.312 ( 2.369 -3.203 0.105) 3.985 9.396 ( -3.060 2.308 3.851) 5.433 9.465 ( -5.508 -3.808 1.737) 6.918 9.931 ( -3.525 5.137 -1.771) 6.477 10.009 ( -4.449 -0.482 -0.247) 4.482 10.367 ( 10.702 9.768 2.956) 14.788 10.538 ( 7.338 -6.652 3.501) 10.505 10.756 ( -7.438 5.329 -10.620) 14.018 10.871 ( -7.996 -5.376 -11.370) 14.904 11.581 ( 3.303 3.359 5.709) 7.402 11.647 ( 3.953 -3.755 7.557) 9.319 12.006 ( -0.108 8.871 6.853) 11.211 12.138 ( -3.135 -3.254 4.122) 6.116 12.274 ( 9.556 1.198 -0.397) 9.639 12.331 ( 4.914 -4.287 -2.183) 6.876 13.460 ( -9.443 8.332 8.044) 14.943 13.612 ( -13.522 -4.558 4.482) 14.957 13.746 ( -2.670 1.078 0.316) 2.896 13.913 ( 1.545 -12.384 -0.332) 12.485 14.242 ( 14.153 9.324 0.147) 16.949 14.459 ( 13.179 -11.992 -2.590) 18.006 16.072 ( 2.395 5.355 5.586) 8.100 16.151 ( -1.747 -1.650 4.669) 5.252 16.364 ( -7.895 5.386 -6.659) 11.648 16.461 ( -5.003 -2.967 -7.347) 9.371 17.057 ( -3.977 5.223 19.346) 20.430 17.232 ( -6.469 -11.320 17.291) 21.655 18.194 ( 9.816 1.394 -1.155) 9.982 18.258 ( 6.455 -4.553 -3.495) 8.638 18.403 ( -2.665 8.779 3.515) 9.825 18.592 ( -2.235 -9.280 2.239) 9.805 19.778 ( -0.262 15.400 -11.688) 19.335 20.135 ( -0.086 -19.028 -19.384) 27.163 23.384 ( -1.236 13.816 13.652) 19.463 23.660 ( -1.420 -13.094 10.936) 17.119 24.625 ( 3.845 7.904 -22.491) 24.148 24.793 ( 3.496 -8.369 -21.905) 23.708 ======================= Grid point 159 (89/125) ======================= q-point: (-0.29 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.879 3.824 4.697) 6.121 1.874 ( 1.013 -5.266 4.218) 6.823 2.113 ( 0.481 2.348 0.584) 2.467 2.142 ( -2.119 -0.471 0.636) 2.262 2.526 ( -6.603 5.425 -0.758) 8.579 2.582 ( -2.381 -0.481 -2.004) 3.149 2.724 ( -4.559 1.328 0.929) 4.839 2.874 ( -3.431 -10.986 -2.447) 11.767 3.107 ( -2.009 1.938 5.366) 6.049 3.169 ( -2.365 -1.206 8.219) 8.637 3.541 ( -3.083 5.150 12.037) 13.450 3.586 ( -2.479 -1.862 13.045) 13.408 3.834 ( -5.334 2.810 11.633) 13.103 4.014 ( -4.520 -8.850 6.210) 11.718 4.186 ( 1.021 6.016 -2.064) 6.442 4.338 ( -0.630 -3.440 -7.894) 8.634 4.595 ( -3.276 13.053 14.635) 19.882 4.721 ( -3.129 -1.547 10.469) 11.035 4.978 ( -11.325 4.448 1.907) 12.316 5.124 ( -6.385 -8.762 4.064) 11.579 5.529 ( 5.640 6.889 -1.873) 9.098 5.639 ( 5.807 -3.891 -0.004) 6.990 5.876 ( -1.828 6.684 -12.411) 14.215 5.963 ( 0.063 -0.900 -13.097) 13.128 6.503 ( -7.548 -0.984 2.949) 8.163 6.526 ( -7.076 -2.820 3.349) 8.320 7.121 ( -7.085 2.875 11.014) 13.408 7.172 ( -8.069 -2.151 9.672) 12.778 7.669 ( 8.803 0.095 -1.767) 8.979 7.699 ( 9.012 -3.148 -2.659) 9.909 8.367 ( 6.103 11.156 11.637) 17.237 8.496 ( -0.291 1.695 -4.320) 4.650 8.650 ( 5.671 0.764 6.900) 8.964 8.765 ( 0.354 -7.020 -9.472) 11.795 9.111 ( -2.606 12.590 0.855) 12.885 9.320 ( -5.187 -6.100 3.914) 8.913 9.355 ( 1.177 0.066 -2.845) 3.080 9.396 ( -1.068 -2.858 -1.254) 3.298 9.850 ( -4.279 2.839 1.508) 5.352 9.923 ( -4.421 -1.509 5.460) 7.185 10.444 ( -9.425 4.318 0.165) 10.368 10.510 ( -1.515 -1.397 0.937) 2.263 10.804 ( 11.252 4.027 -3.986) 12.598 10.899 ( 13.921 -4.248 -3.425) 14.952 11.678 ( 3.962 6.056 4.087) 8.311 11.784 ( 4.325 -4.038 6.968) 9.141 12.061 ( 3.688 6.681 3.142) 8.253 12.149 ( 5.677 -1.284 5.105) 7.742 12.405 ( 3.620 -0.741 -2.574) 4.503 12.412 ( 3.509 -2.323 -4.613) 6.244 13.277 ( -13.203 3.355 6.590) 15.132 13.331 ( -17.658 -1.583 3.250) 18.024 13.787 ( 10.412 7.158 2.216) 12.828 14.043 ( 13.783 -16.958 3.525) 22.135 14.580 ( 18.816 7.677 0.622) 20.332 14.748 ( 15.817 -8.838 -1.613) 18.190 15.927 ( -16.280 13.147 -3.140) 21.159 16.110 ( -6.764 -3.145 2.162) 7.766 16.182 ( -8.366 0.171 0.885) 8.414 16.249 ( -13.640 -6.647 -7.954) 17.132 17.062 ( -2.822 3.276 20.348) 20.802 17.191 ( -3.792 -8.585 19.340) 21.497 18.279 ( -2.225 5.092 -2.713) 6.184 18.352 ( 4.571 -1.837 -6.983) 8.546 18.509 ( 11.275 1.885 3.605) 11.987 18.618 ( 5.454 -8.477 6.516) 12.002 19.735 ( 0.343 14.000 -12.246) 18.604 20.047 ( -2.320 -16.286 -18.365) 24.655 23.412 ( -0.835 12.499 13.417) 18.356 23.663 ( -2.211 -12.065 10.978) 16.461 24.629 ( 4.727 7.090 -22.709) 24.255 24.781 ( 3.214 -7.655 -22.137) 23.643 ======================= Grid point 160 (90/125) ======================= q-point: (-0.14 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -2.517 8.307 3.347) 9.303 1.904 ( -0.252 -3.821 5.009) 6.305 2.053 ( -4.019 7.248 -2.624) 8.693 2.141 ( -0.372 -1.571 5.335) 5.574 2.440 ( -2.625 3.270 -2.023) 4.655 2.527 ( -4.357 -3.240 0.324) 5.439 2.672 ( 1.687 0.616 1.731) 2.495 2.802 ( -2.343 -11.735 -0.217) 11.969 3.093 ( 0.085 1.618 -0.694) 1.763 3.160 ( -0.644 -3.725 2.455) 4.508 3.473 ( -7.937 7.353 13.254) 17.110 3.562 ( -4.265 -3.087 9.417) 10.789 3.775 ( -5.567 -0.978 11.895) 13.170 3.921 ( -7.857 -11.087 7.929) 15.733 4.179 ( -0.171 6.727 -3.525) 7.596 4.256 ( -3.580 0.843 -4.694) 5.963 4.600 ( -0.830 13.777 10.258) 17.197 4.736 ( 0.700 -2.270 5.951) 6.407 4.830 ( -5.175 7.645 5.342) 10.666 5.050 ( -3.452 -11.059 6.162) 13.122 5.615 ( 3.641 7.261 -2.646) 8.543 5.722 ( -0.168 -1.788 -0.276) 1.817 5.809 ( 2.370 5.618 -11.905) 13.376 5.914 ( 0.016 -2.617 -10.446) 10.769 6.408 ( -3.366 0.130 3.703) 5.005 6.442 ( -2.814 -2.802 3.071) 5.020 7.029 ( -6.115 0.939 9.725) 11.527 7.052 ( -6.770 -1.792 9.473) 11.781 7.819 ( 6.475 0.723 -0.644) 6.547 7.858 ( 7.461 -3.430 -1.055) 8.279 8.442 ( -2.917 6.089 -2.848) 7.328 8.483 ( 1.748 4.994 9.062) 10.493 8.727 ( -0.410 -1.832 -6.145) 6.425 8.736 ( 0.389 -1.636 2.507) 3.019 9.058 ( -2.603 12.722 -1.935) 13.129 9.251 ( -2.948 -5.644 2.628) 6.888 9.364 ( 0.289 -1.752 -1.380) 2.249 9.405 ( 3.554 -5.654 -3.822) 7.694 9.811 ( -0.775 3.447 4.014) 5.348 9.888 ( -1.806 -2.135 6.212) 6.813 10.300 ( -6.142 6.815 4.339) 10.149 10.435 ( -4.667 -5.705 4.175) 8.471 11.081 ( 15.560 6.465 1.474) 16.914 11.182 ( 15.557 -3.188 0.045) 15.881 11.709 ( -1.646 6.097 1.387) 6.466 11.798 ( -3.421 -1.934 1.613) 4.248 12.204 ( 10.806 9.456 1.882) 14.482 12.308 ( 0.528 2.972 7.175) 7.785 12.389 ( -4.526 -1.167 -2.363) 5.237 12.436 ( 6.445 -9.140 -6.815) 13.097 12.993 ( -16.401 2.044 0.489) 16.536 13.049 ( -11.995 -2.533 2.224) 12.459 14.154 ( 24.387 9.730 6.103) 26.956 14.405 ( 19.074 -14.004 7.147) 24.718 14.900 ( 13.990 3.067 -0.084) 14.322 14.959 ( 3.954 -2.668 0.724) 4.825 15.610 ( -11.570 11.884 -4.589) 17.209 15.844 ( -16.863 -9.182 -4.304) 19.677 15.993 ( -10.086 -1.675 -4.489) 11.166 16.032 ( -10.329 -4.318 1.842) 11.345 17.084 ( -2.386 4.151 20.620) 21.168 17.201 ( -2.837 -6.687 19.743) 21.037 18.209 ( -3.256 4.842 -4.793) 7.551 18.310 ( -4.273 -4.703 -7.946) 10.174 18.749 ( 11.113 2.062 5.146) 12.419 18.822 ( 10.528 -5.330 9.173) 14.946 19.715 ( 2.127 10.222 -14.218) 17.640 19.942 ( -1.355 -12.008 -17.478) 21.249 23.436 ( -1.494 10.538 13.013) 16.811 23.651 ( -2.883 -10.482 10.860) 15.366 24.647 ( 5.205 5.337 -22.774) 23.963 24.767 ( 3.347 -6.332 -22.239) 23.363 ======================= Grid point 189 (91/125) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 13.142 0.000 13.646) 18.945 1.455 ( -12.966 0.000 -6.006) 14.290 1.884 ( 0.488 0.000 29.353) 29.357 2.310 ( -7.344 0.000 -1.069) 7.421 2.314 ( 5.830 0.000 1.764) 6.091 2.431 ( -0.545 0.000 -23.064) 23.070 2.856 ( 2.947 0.000 3.610) 4.660 2.898 ( -6.786 0.000 0.988) 6.857 3.164 ( 0.304 0.000 9.412) 9.417 3.280 ( 2.145 0.000 -6.010) 6.381 3.466 ( 6.042 0.000 30.386) 30.981 4.020 ( -9.179 0.000 -23.054) 24.814 4.277 ( 2.005 0.000 8.367) 8.604 4.351 ( -6.667 0.000 12.954) 14.568 4.361 ( -1.582 0.000 -2.807) 3.222 4.485 ( -3.154 0.000 17.983) 18.258 4.630 ( 9.720 0.000 -12.480) 15.819 4.674 ( 1.281 0.000 26.307) 26.338 4.696 ( -1.506 0.000 10.451) 10.559 4.848 ( -1.080 0.000 -17.673) 17.706 4.899 ( -1.915 0.000 -17.681) 17.785 5.154 ( 3.316 0.000 -20.065) 20.337 5.665 ( 10.642 0.000 0.699) 10.665 5.675 ( -8.388 0.000 0.391) 8.398 6.330 ( 0.369 0.000 7.752) 7.760 6.461 ( -0.002 0.000 -5.597) 5.597 7.250 ( 4.566 0.000 3.207) 5.580 7.269 ( -0.771 0.000 1.503) 1.689 7.808 ( -0.803 0.000 0.280) 0.851 7.868 ( 0.331 0.000 -6.340) 6.348 8.018 ( 8.259 0.000 0.673) 8.286 8.049 ( -9.529 0.000 -2.578) 9.871 8.320 ( -4.321 0.000 1.144) 4.470 8.344 ( 4.734 0.000 -1.400) 4.936 9.141 ( 5.992 0.000 10.004) 11.662 9.333 ( -5.511 0.000 -9.482) 10.968 9.507 ( -9.489 0.000 2.840) 9.905 9.508 ( 5.398 0.000 -0.088) 5.398 9.754 ( -1.697 0.000 16.806) 16.891 9.895 ( 3.298 0.000 3.904) 5.110 10.038 ( -0.891 0.000 -6.060) 6.125 10.172 ( 7.680 0.000 -20.725) 22.102 11.026 ( 8.186 0.000 11.714) 14.291 11.249 ( -11.747 0.000 -11.543) 16.469 11.469 ( -8.983 0.000 7.036) 11.410 11.561 ( 2.079 0.000 -2.765) 3.460 11.808 ( -5.273 0.000 10.966) 12.168 12.016 ( 6.634 0.000 -9.850) 11.876 12.723 ( 8.839 0.000 6.338) 10.877 12.859 ( -11.449 0.000 -6.889) 13.362 13.167 ( -6.150 0.000 8.902) 10.820 13.242 ( 1.500 0.000 0.927) 1.763 13.529 ( 3.997 0.000 -1.885) 4.419 13.565 ( -5.788 0.000 -5.444) 7.946 15.043 ( 5.578 0.000 3.641) 6.661 15.082 ( 3.026 0.000 0.157) 3.030 15.735 ( 6.516 0.000 2.347) 6.925 15.805 ( -7.589 0.000 -5.341) 9.279 16.305 ( -2.262 0.000 12.819) 13.017 16.523 ( 3.351 0.000 -10.056) 10.599 17.457 ( -10.874 0.000 14.836) 18.394 17.704 ( 10.647 0.000 -9.944) 14.569 18.312 ( -11.381 0.000 -0.917) 11.418 18.330 ( 9.508 0.000 -1.904) 9.697 19.048 ( -2.568 0.000 8.982) 9.342 19.221 ( -2.662 0.000 -9.322) 9.694 19.783 ( 1.961 0.000 26.502) 26.575 20.325 ( 4.198 0.000 -30.681) 30.967 23.659 ( -6.064 0.000 24.182) 24.930 24.081 ( 6.993 0.000 -20.764) 21.909 24.334 ( -1.381 0.000 16.185) 16.244 24.690 ( 2.047 0.000 -20.787) 20.887 ======================= Grid point 190 (92/125) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -2.471 0.000 -2.992) 3.880 1.635 ( 19.522 0.000 9.660) 21.782 2.007 ( 3.088 0.000 22.635) 22.845 2.153 ( -9.235 0.000 5.046) 10.524 2.369 ( 3.096 0.000 -25.066) 25.256 2.435 ( 5.697 0.000 4.325) 7.153 2.798 ( -3.651 0.000 -3.750) 5.234 2.928 ( 2.531 0.000 8.246) 8.626 3.283 ( 7.866 0.000 5.591) 9.651 3.317 ( 1.204 0.000 -6.709) 6.816 3.708 ( 7.176 0.000 35.043) 35.771 3.843 ( 0.550 0.000 -22.427) 22.434 4.183 ( -11.404 0.000 13.369) 17.572 4.195 ( -11.461 0.000 -5.877) 12.880 4.274 ( -5.054 0.000 5.244) 7.283 4.475 ( -4.059 0.000 18.831) 19.263 4.663 ( -6.710 0.000 26.261) 27.104 4.715 ( 0.747 0.000 -21.103) 21.116 4.800 ( 8.162 0.000 -5.568) 9.880 4.910 ( 9.851 0.000 14.560) 17.579 4.948 ( 8.136 0.000 -19.217) 20.869 5.149 ( 4.095 0.000 -22.418) 22.789 5.500 ( -8.638 0.000 -1.595) 8.784 5.815 ( 4.353 0.000 -1.871) 4.738 6.433 ( 7.004 0.000 8.036) 10.660 6.515 ( 7.849 0.000 -6.530) 10.210 7.275 ( 1.186 0.000 -1.207) 1.692 7.345 ( 4.525 0.000 -0.670) 4.575 7.783 ( -1.326 0.000 -1.000) 1.661 7.818 ( -8.383 0.000 -2.146) 8.653 7.818 ( -8.902 0.000 -1.948) 9.113 8.131 ( 2.080 0.000 0.721) 2.201 8.239 ( -2.955 0.000 1.637) 3.379 8.415 ( 2.703 0.000 -1.765) 3.228 9.197 ( -5.057 0.000 -9.591) 10.842 9.281 ( -1.586 0.000 12.198) 12.300 9.313 ( -5.277 0.000 5.789) 7.833 9.572 ( 1.181 0.000 -0.967) 1.526 9.726 ( -7.237 0.000 4.853) 8.713 9.959 ( 2.320 0.000 1.047) 2.545 9.988 ( -1.090 0.000 -3.174) 3.356 10.217 ( 2.866 0.000 -22.132) 22.317 10.875 ( -16.057 0.000 -8.893) 18.355 10.891 ( -15.604 0.000 23.319) 28.058 11.590 ( 4.185 0.000 6.526) 7.752 11.686 ( 6.390 0.000 -0.273) 6.396 11.767 ( 0.961 0.000 13.341) 13.375 12.104 ( 6.355 0.000 -11.148) 12.833 12.657 ( -5.700 0.000 -3.412) 6.643 12.841 ( -0.678 0.000 5.930) 5.968 13.195 ( 3.287 0.000 5.873) 6.730 13.414 ( 12.716 0.000 4.780) 13.584 13.476 ( 0.798 0.000 2.238) 2.376 13.666 ( 10.113 0.000 -0.127) 10.114 15.130 ( 3.728 0.000 -2.159) 4.308 15.166 ( 6.359 0.000 -11.501) 13.142 15.640 ( -6.088 0.000 -0.533) 6.111 15.833 ( 0.307 0.000 1.355) 1.389 16.301 ( -0.627 0.000 11.999) 12.016 16.511 ( -1.544 0.000 -12.401) 12.496 17.308 ( -9.392 0.000 15.591) 18.202 17.869 ( 9.653 0.000 -12.325) 15.655 18.143 ( -5.020 0.000 3.921) 6.370 18.524 ( 10.040 0.000 -0.834) 10.075 18.923 ( -12.905 0.000 10.816) 16.838 19.006 ( -15.521 0.000 -2.483) 15.719 19.947 ( 4.408 0.000 23.072) 23.489 20.365 ( 10.750 0.000 -35.182) 36.788 23.533 ( -14.078 0.000 24.764) 28.486 24.075 ( 0.321 0.000 -23.445) 23.447 24.389 ( 0.506 0.000 15.344) 15.352 24.683 ( 4.601 0.000 -20.068) 20.589 ======================= Grid point 191 (93/125) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 6.317 0.000 5.230) 8.201 1.971 ( -0.789 0.000 10.364) 10.394 2.055 ( 10.771 0.000 -2.534) 11.065 2.151 ( 5.449 0.000 14.845) 15.814 2.388 ( 6.395 0.000 -15.747) 16.996 2.562 ( 5.891 0.000 5.147) 7.822 2.735 ( -0.383 0.000 -9.943) 9.951 2.940 ( -6.399 0.000 9.795) 11.700 3.224 ( -7.640 0.000 -6.326) 9.919 3.401 ( 1.247 0.000 -0.752) 1.456 3.910 ( -1.784 0.000 34.755) 34.801 3.913 ( 11.598 0.000 -19.544) 22.726 4.033 ( 0.315 0.000 -7.372) 7.379 4.051 ( -5.893 0.000 18.240) 19.168 4.205 ( -2.551 0.000 4.869) 5.496 4.479 ( -2.450 0.000 21.738) 21.875 4.615 ( -7.542 0.000 27.209) 28.235 4.654 ( 0.358 0.000 -19.408) 19.411 4.943 ( 8.854 0.000 -10.204) 13.510 5.015 ( 4.532 0.000 -15.880) 16.514 5.072 ( 1.481 0.000 14.893) 14.966 5.163 ( 5.674 0.000 -24.821) 25.462 5.383 ( -2.266 0.000 -0.949) 2.457 5.808 ( -3.240 0.000 -5.185) 6.114 6.612 ( 7.882 0.000 8.945) 11.922 6.686 ( 11.372 0.000 -6.616) 13.156 7.302 ( 2.273 0.000 -2.304) 3.236 7.368 ( -5.293 0.000 3.978) 6.621 7.598 ( -6.756 0.000 -0.663) 6.788 7.699 ( -7.447 0.000 -2.213) 7.769 7.772 ( 1.344 0.000 -3.349) 3.608 8.076 ( -4.679 0.000 -2.806) 5.456 8.265 ( 2.012 0.000 4.842) 5.243 8.431 ( 0.231 0.000 -2.865) 2.874 9.098 ( -1.979 0.000 -7.931) 8.174 9.110 ( -10.108 0.000 11.554) 15.352 9.424 ( 3.772 0.000 7.981) 8.827 9.535 ( -3.787 0.000 -5.364) 6.566 9.542 ( -10.600 0.000 0.655) 10.621 9.958 ( -3.071 0.000 0.619) 3.132 9.974 ( -1.054 0.000 -7.272) 7.348 10.053 ( -7.852 0.000 -20.335) 21.798 10.796 ( 7.870 0.000 -1.038) 7.938 10.820 ( -1.465 0.000 29.489) 29.525 11.503 ( -9.541 0.000 4.315) 10.471 11.731 ( -0.302 0.000 -6.956) 6.962 11.934 ( 6.020 0.000 14.130) 15.359 12.179 ( 4.616 0.000 -7.597) 8.889 12.611 ( 1.328 0.000 -3.580) 3.818 12.785 ( -5.278 0.000 3.881) 6.551 13.301 ( 6.405 0.000 1.492) 6.576 13.420 ( -2.119 0.000 6.099) 6.456 13.809 ( 16.158 0.000 10.440) 19.237 13.878 ( 11.793 0.000 -0.910) 11.828 15.154 ( -1.677 0.000 -18.628) 18.703 15.170 ( 0.100 0.000 -0.370) 0.384 15.698 ( 11.542 0.000 4.002) 12.216 15.734 ( -8.505 0.000 2.075) 8.755 16.364 ( 1.585 0.000 5.142) 5.381 16.367 ( -8.766 0.000 -14.057) 16.566 17.256 ( -1.351 0.000 21.227) 21.270 17.964 ( 6.058 0.000 -12.892) 14.244 18.187 ( 6.154 0.000 7.485) 9.690 18.658 ( 3.825 0.000 -3.650) 5.287 18.673 ( -16.171 0.000 8.448) 18.245 18.709 ( -13.979 0.000 2.610) 14.221 20.058 ( -1.008 0.000 21.571) 21.595 20.452 ( 10.406 0.000 -34.905) 36.423 23.355 ( -13.316 0.000 27.985) 30.992 23.963 ( -1.853 0.000 -28.003) 28.064 24.439 ( -0.556 0.000 14.060) 14.071 24.717 ( 5.522 0.000 -18.671) 19.471 ======================= Grid point 192 (94/125) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 6.510 0.000 12.838) 14.394 1.837 ( -9.325 0.000 0.537) 9.341 2.297 ( 5.456 0.000 7.591) 9.348 2.335 ( 12.471 0.000 -2.551) 12.729 2.505 ( 8.772 0.000 -1.264) 8.863 2.627 ( -4.873 0.000 5.608) 7.430 2.734 ( 5.532 0.000 -14.372) 15.399 2.760 ( -12.503 0.000 2.369) 12.725 3.098 ( -0.620 0.000 0.222) 0.659 3.301 ( -9.522 0.000 -3.707) 10.218 3.845 ( -12.167 0.000 21.440) 24.652 4.028 ( 9.214 0.000 -14.015) 16.772 4.037 ( -7.412 0.000 29.280) 30.203 4.201 ( 13.946 0.000 -7.856) 16.007 4.247 ( 3.377 0.000 6.204) 7.063 4.514 ( -4.029 0.000 28.841) 29.121 4.591 ( -3.489 0.000 24.122) 24.373 4.599 ( 1.246 0.000 -21.588) 21.624 4.991 ( 1.453 0.000 -19.953) 20.006 5.073 ( 6.373 0.000 -9.529) 11.463 5.081 ( -3.860 0.000 9.936) 10.659 5.177 ( 3.914 0.000 -21.225) 21.583 5.420 ( 5.099 0.000 3.289) 6.068 5.686 ( -6.659 0.000 -7.907) 10.338 6.744 ( 1.429 0.000 9.576) 9.682 6.852 ( 7.481 0.000 -6.420) 9.859 7.192 ( -12.640 0.000 16.338) 20.657 7.341 ( 1.924 0.000 0.281) 1.945 7.552 ( -5.529 0.000 -4.308) 7.010 7.575 ( 2.920 0.000 -5.655) 6.364 7.817 ( 4.637 0.000 -3.419) 5.761 7.974 ( -4.792 0.000 -4.865) 6.829 8.310 ( 0.724 0.000 5.465) 5.513 8.419 ( -0.354 0.000 -3.092) 3.112 9.016 ( -2.881 0.000 7.358) 7.902 9.072 ( 1.812 0.000 -6.616) 6.860 9.332 ( -10.116 0.000 4.831) 11.211 9.446 ( -0.915 0.000 -9.441) 9.485 9.529 ( 2.499 0.000 8.038) 8.417 9.816 ( -5.461 0.000 -14.011) 15.038 9.873 ( -6.143 0.000 5.086) 7.975 10.002 ( 2.232 0.000 -9.647) 9.901 10.986 ( 7.509 0.000 24.786) 25.899 11.011 ( 12.506 0.000 1.563) 12.604 11.319 ( -11.053 0.000 3.658) 11.643 11.653 ( -2.963 0.000 -16.039) 16.310 12.053 ( 2.491 0.000 11.314) 11.585 12.207 ( 0.283 0.000 -3.895) 3.905 12.660 ( 4.508 0.000 -2.751) 5.281 12.706 ( -3.942 0.000 1.936) 4.391 13.398 ( -3.120 0.000 7.803) 8.404 13.431 ( 7.017 0.000 -2.281) 7.379 14.030 ( 3.292 0.000 7.972) 8.625 14.081 ( 9.970 0.000 -3.649) 10.617 15.067 ( -12.283 0.000 5.634) 13.513 15.096 ( 3.226 0.000 -12.866) 13.265 15.674 ( 2.654 0.000 5.297) 5.925 15.949 ( 6.985 0.000 -4.213) 8.157 16.151 ( -3.502 0.000 -7.365) 8.155 16.320 ( -6.962 0.000 -2.381) 7.358 17.411 ( 7.796 0.000 26.380) 27.508 17.999 ( -0.324 0.000 -14.782) 14.785 18.363 ( 8.900 0.000 7.903) 11.903 18.438 ( -8.174 0.000 7.090) 10.821 18.508 ( -6.334 0.000 1.037) 6.418 18.657 ( -3.239 0.000 -5.120) 6.058 20.058 ( -6.358 0.000 21.736) 22.647 20.510 ( 7.677 0.000 -31.872) 32.784 23.244 ( -8.764 0.000 31.068) 32.281 23.852 ( 1.024 0.000 -29.879) 29.896 24.462 ( -1.885 0.000 13.175) 13.309 24.752 ( 4.691 0.000 -18.248) 18.842 ======================= Grid point 193 (95/125) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -12.763 0.000 -1.704) 12.877 1.644 ( 2.826 0.000 19.183) 19.390 2.365 ( -2.319 0.000 -6.060) 6.488 2.427 ( -14.130 0.000 10.151) 17.398 2.458 ( 3.317 0.000 -9.679) 10.232 2.562 ( -5.864 0.000 0.980) 5.946 2.655 ( 4.544 0.000 3.378) 5.663 2.896 ( 15.791 0.000 -9.149) 18.250 3.102 ( -8.409 0.000 0.252) 8.413 3.216 ( 8.691 0.000 5.009) 10.031 3.631 ( -18.552 0.000 27.161) 32.892 3.966 ( -7.554 0.000 14.793) 16.610 4.178 ( 11.008 0.000 -13.110) 17.119 4.315 ( 0.945 0.000 9.108) 9.157 4.340 ( 1.023 0.000 -5.134) 5.235 4.540 ( -3.842 0.000 33.773) 33.990 4.583 ( 5.719 0.000 -25.845) 26.471 4.607 ( -4.173 0.000 22.020) 22.412 4.931 ( -0.180 0.000 -20.106) 20.107 5.015 ( -6.039 0.000 5.879) 8.429 5.102 ( 2.926 0.000 -22.661) 22.849 5.212 ( 4.911 0.000 -4.330) 6.547 5.529 ( -6.388 0.000 -9.916) 11.795 5.563 ( 7.464 0.000 5.608) 9.336 6.700 ( -8.517 0.000 9.468) 12.735 6.877 ( -3.470 0.000 -4.833) 5.950 7.093 ( -4.968 0.000 20.985) 21.565 7.358 ( -1.265 0.000 6.443) 6.566 7.523 ( 5.197 0.000 -9.591) 10.908 7.641 ( 6.100 0.000 -6.243) 8.729 7.878 ( -2.644 0.000 -7.000) 7.483 7.911 ( 5.533 0.000 0.038) 5.533 8.332 ( 0.062 0.000 5.579) 5.579 8.396 ( -0.788 0.000 -2.983) 3.085 9.023 ( -0.459 0.000 -1.973) 2.026 9.127 ( 6.345 0.000 -6.886) 9.363 9.231 ( 0.113 0.000 13.573) 13.574 9.467 ( 5.179 0.000 -6.002) 7.928 9.600 ( 1.944 0.000 9.853) 10.043 9.699 ( -2.723 0.000 -11.873) 12.181 9.791 ( -4.829 0.000 9.955) 11.064 10.027 ( 3.531 0.000 -9.244) 9.896 11.056 ( -10.379 0.000 -1.583) 10.499 11.216 ( 7.683 0.000 -1.350) 7.801 11.278 ( 7.535 0.000 21.924) 23.183 11.563 ( 1.898 0.000 -20.466) 20.554 12.109 ( -0.262 0.000 8.046) 8.050 12.175 ( -2.450 0.000 -1.835) 3.061 12.638 ( -3.629 0.000 -0.889) 3.737 12.744 ( 5.111 0.000 -2.252) 5.585 13.348 ( -4.509 0.000 6.138) 7.617 13.531 ( 4.582 0.000 -5.803) 7.394 14.009 ( -6.193 0.000 4.205) 7.486 14.186 ( 1.570 0.000 -8.473) 8.617 14.849 ( -10.867 0.000 13.035) 16.970 15.171 ( 5.223 0.000 -5.620) 7.672 15.816 ( 7.102 0.000 8.713) 11.241 15.817 ( -5.975 0.000 -9.618) 11.323 16.118 ( -11.489 0.000 -3.663) 12.059 16.308 ( 10.787 0.000 -0.703) 10.810 17.629 ( 3.562 0.000 23.998) 24.261 17.816 ( -10.466 0.000 -15.474) 18.681 18.459 ( 6.099 0.000 4.172) 7.389 18.488 ( -1.921 0.000 -2.801) 3.397 18.547 ( 1.916 0.000 -5.259) 5.597 18.553 ( 7.585 0.000 6.530) 10.009 19.979 ( -9.909 0.000 23.899) 25.871 20.527 ( 4.786 0.000 -27.864) 28.272 23.242 ( -2.906 0.000 34.012) 34.136 23.814 ( 5.576 0.000 -28.799) 29.334 24.456 ( -3.423 0.000 12.562) 13.020 24.768 ( 3.492 0.000 -18.516) 18.842 ======================= Grid point 194 (96/125) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -15.963 0.000 2.278) 16.124 1.727 ( -1.960 0.000 25.873) 25.948 2.134 ( -17.184 0.000 -1.953) 17.294 2.246 ( -4.492 0.000 -1.477) 4.729 2.447 ( 1.122 0.000 -15.131) 15.173 2.615 ( 6.302 0.000 3.444) 7.182 2.646 ( -4.499 0.000 -3.570) 5.743 3.047 ( 0.879 0.000 7.953) 8.001 3.184 ( 12.670 0.000 -5.955) 14.000 3.355 ( 2.800 0.000 3.119) 4.191 3.376 ( -17.702 0.000 33.063) 37.504 3.888 ( -2.059 0.000 7.529) 7.806 4.277 ( -1.259 0.000 -4.190) 4.375 4.342 ( 9.135 0.000 -13.944) 16.670 4.361 ( 0.399 0.000 12.381) 12.387 4.539 ( -2.255 0.000 -26.966) 27.060 4.552 ( -7.680 0.000 26.993) 28.064 4.605 ( -3.188 0.000 27.369) 27.554 4.870 ( 1.587 0.000 -20.931) 20.991 4.899 ( -7.826 0.000 4.742) 9.151 5.101 ( 5.328 0.000 -21.366) 22.020 5.310 ( 6.183 0.000 0.380) 6.194 5.371 ( -7.241 0.000 -11.284) 13.407 5.705 ( 4.897 0.000 6.112) 7.832 6.542 ( -10.709 0.000 8.285) 13.540 6.724 ( -9.649 0.000 -3.427) 10.239 7.104 ( -1.102 0.000 17.142) 17.177 7.338 ( -3.030 0.000 5.519) 6.296 7.649 ( 10.085 0.000 -5.828) 11.648 7.742 ( 5.557 0.000 -4.082) 6.895 7.841 ( 1.471 0.000 -8.340) 8.469 8.018 ( 5.344 0.000 3.226) 6.242 8.359 ( 0.794 0.000 4.458) 4.528 8.370 ( -0.833 0.000 -5.976) 6.033 8.977 ( -2.070 0.000 4.856) 5.279 9.248 ( 8.274 0.000 -5.681) 10.036 9.447 ( 14.736 0.000 5.162) 15.614 9.534 ( -0.455 0.000 -0.441) 0.634 9.662 ( 6.124 0.000 -13.144) 14.501 9.672 ( 1.020 0.000 17.387) 17.417 9.775 ( 0.347 0.000 12.749) 12.753 10.061 ( 3.336 0.000 -9.555) 10.121 10.833 ( -10.100 0.000 -3.500) 10.689 11.268 ( 2.565 0.000 -15.408) 15.620 11.494 ( 6.817 0.000 16.821) 18.150 11.620 ( 7.935 0.000 -10.953) 13.525 12.077 ( -6.002 0.000 5.363) 8.049 12.094 ( -5.895 0.000 -1.643) 6.120 12.575 ( -2.105 0.000 -1.168) 2.407 12.837 ( 5.502 0.000 -1.859) 5.807 13.289 ( -2.910 0.000 2.692) 3.964 13.548 ( -0.489 0.000 -7.510) 7.526 13.872 ( -8.437 0.000 0.293) 8.442 14.031 ( -14.359 0.000 -13.181) 19.491 14.803 ( -0.468 0.000 18.219) 18.225 15.159 ( -4.919 0.000 0.385) 4.934 15.775 ( -10.010 0.000 -4.550) 10.996 15.811 ( 6.494 0.000 -5.797) 8.705 16.095 ( 6.510 0.000 13.838) 15.293 16.448 ( 4.825 0.000 -4.061) 6.306 17.609 ( -4.435 0.000 -14.523) 15.185 17.671 ( -5.458 0.000 17.940) 18.752 18.326 ( -7.141 0.000 -7.150) 10.105 18.577 ( 1.380 0.000 3.857) 4.097 18.714 ( 10.153 0.000 2.333) 10.418 18.805 ( 19.521 0.000 -4.168) 19.961 19.859 ( -11.518 0.000 27.147) 29.490 20.497 ( 1.346 0.000 -25.010) 25.047 23.364 ( 3.242 0.000 35.242) 35.391 23.866 ( 9.478 0.000 -25.950) 27.627 24.417 ( -5.152 0.000 12.515) 13.534 24.759 ( 2.369 0.000 -19.107) 19.254 ======================= Grid point 195 (97/125) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -5.471 0.000 10.987) 12.274 1.734 ( -9.468 0.000 6.418) 11.438 1.832 ( -10.350 0.000 20.600) 23.054 2.228 ( 2.619 0.000 -1.429) 2.984 2.409 ( -0.136 0.000 -15.750) 15.750 2.531 ( -4.635 0.000 -8.103) 9.335 2.756 ( 6.883 0.000 1.606) 7.068 3.036 ( -7.121 0.000 6.185) 9.433 3.213 ( -7.193 0.000 11.925) 13.926 3.302 ( 1.091 0.000 19.261) 19.292 3.327 ( -4.262 0.000 -1.937) 4.682 4.046 ( 13.858 0.000 9.687) 16.908 4.282 ( -7.665 0.000 -20.139) 21.548 4.307 ( 3.186 0.000 -3.101) 4.446 4.399 ( -1.972 0.000 12.039) 12.200 4.489 ( -6.236 0.000 23.189) 24.013 4.508 ( 9.025 0.000 -18.990) 21.026 4.634 ( -4.405 0.000 29.224) 29.554 4.766 ( -7.422 0.000 5.163) 9.041 4.849 ( 3.562 0.000 -20.743) 21.046 5.115 ( -2.016 0.000 -19.525) 19.629 5.171 ( -4.924 0.000 -11.915) 12.892 5.461 ( 9.677 0.000 0.738) 9.706 5.764 ( -1.264 0.000 4.305) 4.487 6.381 ( -8.005 0.000 6.978) 10.620 6.545 ( -6.901 0.000 -3.950) 7.951 7.162 ( 2.231 0.000 10.100) 10.343 7.295 ( -2.858 0.000 4.094) 4.993 7.802 ( 1.750 0.000 -1.043) 2.038 7.833 ( 9.567 0.000 -2.642) 9.925 7.863 ( 3.861 0.000 -7.553) 8.483 8.122 ( 3.067 0.000 1.733) 3.523 8.315 ( -1.706 0.000 -6.129) 6.362 8.370 ( -1.454 0.000 2.884) 3.230 9.015 ( 3.365 0.000 9.183) 9.780 9.386 ( 7.689 0.000 -2.766) 8.172 9.457 ( -4.633 0.000 -6.403) 7.903 9.598 ( 0.590 0.000 -3.277) 3.330 9.727 ( -2.503 0.000 22.679) 22.816 9.795 ( 7.641 0.000 -2.385) 8.005 9.969 ( 10.482 0.000 7.528) 12.905 10.099 ( 5.565 0.000 -14.442) 15.477 10.757 ( 6.127 0.000 2.889) 6.774 11.279 ( 5.346 0.000 -17.324) 18.130 11.610 ( -0.887 0.000 8.885) 8.930 11.681 ( -2.558 0.000 -4.453) 5.135 11.925 ( -10.975 0.000 6.926) 12.978 11.974 ( -2.106 0.000 -6.464) 6.798 12.582 ( 3.379 0.000 2.620) 4.276 12.926 ( 3.698 0.000 -2.249) 4.328 13.255 ( -1.469 0.000 -0.208) 1.484 13.462 ( -10.394 0.000 -3.759) 11.053 13.605 ( -18.908 0.000 -9.232) 21.041 13.711 ( -7.655 0.000 -4.348) 8.804 14.907 ( 4.699 0.000 14.658) 15.393 15.075 ( -3.181 0.000 3.743) 4.912 15.658 ( -0.026 0.000 -1.688) 1.689 15.891 ( 1.282 0.000 -4.680) 4.852 16.251 ( 3.399 0.000 14.826) 15.211 16.489 ( 2.932 0.000 -8.044) 8.561 17.578 ( 5.533 0.000 -11.612) 12.863 17.591 ( -8.635 0.000 15.924) 18.115 18.236 ( 0.783 0.000 -5.066) 5.126 18.510 ( -8.153 0.000 0.022) 8.153 18.938 ( 10.378 0.000 4.345) 11.251 19.129 ( 14.984 0.000 -10.532) 18.315 19.755 ( -8.556 0.000 29.101) 30.333 20.407 ( -1.348 0.000 -25.490) 25.526 23.567 ( 4.591 0.000 30.801) 31.141 23.979 ( 10.607 0.000 -22.564) 24.933 24.355 ( -5.621 0.000 13.982) 15.069 24.729 ( 1.531 0.000 -19.957) 20.016 ======================= Grid point 196 (98/125) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 11.056 3.005 13.865) 17.986 1.497 ( -11.086 3.497 -6.746) 13.440 1.926 ( 0.617 4.297 23.161) 23.564 2.274 ( 2.717 -0.954 -5.747) 6.429 2.333 ( -6.045 -0.222 2.720) 6.633 2.439 ( 1.533 -0.709 -14.982) 15.077 2.900 ( 4.384 3.594 3.420) 6.621 2.935 ( -7.879 3.860 1.672) 8.931 3.237 ( 1.027 6.436 7.159) 9.682 3.362 ( 1.465 6.485 -6.747) 9.472 3.535 ( 4.191 7.516 31.026) 32.197 3.997 ( -4.271 -6.537 -10.598) 13.164 4.016 ( -4.077 -18.065 4.858) 19.146 4.072 ( -1.398 -13.107 -4.025) 13.782 4.380 ( -3.171 -4.837 6.078) 8.390 4.433 ( 6.391 -12.192 5.643) 14.877 4.545 ( -7.156 -0.577 4.190) 8.312 4.586 ( 2.124 -3.172 5.911) 7.037 4.787 ( 5.335 8.499 4.181) 10.871 4.989 ( -1.586 5.942 -2.335) 6.578 5.022 ( -1.467 8.978 -13.586) 16.350 5.228 ( 1.455 4.323 -15.824) 16.469 5.661 ( 5.042 1.112 3.055) 6.000 5.707 ( -3.001 2.510 -1.636) 4.240 6.349 ( 0.796 2.230 6.126) 6.567 6.454 ( 0.015 -0.313 -4.704) 4.714 7.199 ( 1.007 -3.043 7.722) 8.361 7.290 ( 1.693 0.050 -1.599) 2.330 7.785 ( -1.626 -0.674 0.870) 1.964 7.864 ( 0.548 1.657 -7.070) 7.283 8.171 ( -4.462 8.203 -0.115) 9.339 8.173 ( 5.769 11.584 -0.369) 12.946 8.375 ( -4.439 5.459 -0.328) 7.043 8.391 ( 3.967 4.028 -1.633) 5.884 9.163 ( 2.867 0.940 11.502) 11.891 9.341 ( -0.730 0.895 -3.890) 4.058 9.424 ( 2.627 -6.168 0.342) 6.713 9.470 ( -7.631 -2.053 -1.946) 8.138 9.736 ( -2.675 -0.996 14.736) 15.010 9.959 ( 1.963 4.325 0.860) 4.826 10.124 ( 0.409 4.903 -8.740) 10.030 10.145 ( 5.047 0.173 -11.872) 12.901 11.057 ( 12.078 3.146 10.301) 16.183 11.257 ( -13.817 1.656 -9.853) 17.051 11.540 ( -10.776 4.833 4.449) 12.620 11.571 ( 7.292 2.482 0.387) 7.713 11.813 ( -6.159 -0.008 8.141) 10.208 11.994 ( 4.701 -2.087 -9.493) 10.797 12.632 ( 12.881 -7.362 6.883) 16.355 12.736 ( -16.920 -7.483 -2.650) 18.690 13.029 ( 2.108 -4.518 6.627) 8.292 13.160 ( -2.937 -6.823 -6.096) 9.609 13.838 ( -2.394 23.292 -1.475) 23.461 13.848 ( -1.416 18.338 -2.127) 18.515 15.037 ( 4.015 -0.754 3.080) 5.116 15.062 ( 4.537 -1.625 0.823) 4.889 15.719 ( 1.556 -1.778 2.361) 3.340 15.781 ( -2.207 -2.270 -4.411) 5.429 16.286 ( -4.681 -2.332 10.276) 11.530 16.461 ( 4.967 -6.123 -7.869) 11.139 17.441 ( -9.715 -1.448 14.337) 17.378 17.669 ( 8.441 -3.190 -7.893) 11.988 18.253 ( -8.175 -5.114 -0.248) 9.646 18.285 ( 6.886 -4.122 -3.201) 8.641 19.024 ( -2.098 -1.973 9.250) 9.688 19.207 ( -2.903 -1.075 -10.111) 10.574 19.737 ( 0.780 -4.468 24.818) 25.229 20.237 ( 5.859 -7.995 -27.838) 29.550 23.625 ( -5.530 -2.412 26.072) 26.761 24.076 ( 5.415 -0.517 -20.641) 21.345 24.316 ( -0.747 -2.009 13.602) 13.770 24.660 ( 2.421 -2.943 -20.807) 21.153 ======================= Grid point 197 (99/125) ======================= q-point: ( 0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.621 7.732 -4.708) 9.074 1.649 ( 19.436 0.669 10.341) 22.026 2.028 ( 2.700 2.965 18.204) 18.641 2.224 ( -6.282 3.718 3.180) 7.962 2.321 ( 5.168 -0.747 -11.737) 12.846 2.436 ( 2.020 -2.027 -4.052) 4.960 2.791 ( -6.906 1.120 -1.193) 7.097 2.966 ( 0.553 1.443 6.961) 7.130 3.320 ( 3.359 2.603 2.693) 5.031 3.389 ( 1.575 5.706 -6.527) 8.811 3.717 ( 3.457 2.779 29.887) 30.214 3.868 ( -1.365 -1.643 -12.179) 12.365 3.943 ( -2.686 -9.896 4.677) 11.270 4.036 ( -3.337 -13.954 1.748) 14.454 4.329 ( -3.481 -7.878 5.476) 10.206 4.421 ( -6.451 2.460 6.820) 9.705 4.549 ( 4.160 -4.645 -2.657) 6.778 4.653 ( -0.540 -7.146 12.939) 14.791 4.907 ( 6.297 9.764 -3.572) 12.155 4.988 ( 2.304 5.036 -3.734) 6.679 5.056 ( 8.057 7.741 -6.229) 12.791 5.204 ( 1.718 1.743 -12.262) 12.504 5.546 ( -6.891 5.323 -3.611) 9.426 5.801 ( 3.182 -1.268 -0.794) 3.516 6.450 ( 7.093 2.017 6.019) 9.519 6.510 ( 7.675 -0.156 -5.683) 9.551 7.246 ( 1.818 -2.819 3.560) 4.891 7.333 ( 3.178 -0.993 -3.266) 4.664 7.722 ( -5.121 -1.221 2.282) 5.738 7.828 ( -2.796 3.013 -3.879) 5.652 7.999 ( -9.682 9.367 -2.004) 13.620 8.248 ( -3.058 7.398 -3.234) 8.634 8.314 ( 1.400 9.443 3.136) 10.048 8.452 ( 2.460 2.870 -2.418) 4.487 9.200 ( -2.591 0.337 2.624) 3.703 9.238 ( -11.075 -5.530 2.116) 12.558 9.356 ( 4.222 6.091 1.948) 7.663 9.542 ( 2.778 -2.859 0.314) 3.999 9.705 ( -4.398 -2.448 11.362) 12.427 9.927 ( -5.062 1.968 -3.740) 6.594 10.109 ( 1.716 5.858 -4.502) 7.585 10.208 ( 3.734 -0.128 -13.833) 14.329 10.826 ( -19.701 1.022 -4.059) 20.140 11.048 ( -12.280 10.185 11.947) 19.931 11.554 ( 4.246 -2.620 3.998) 6.393 11.726 ( 4.507 2.537 3.608) 6.306 11.787 ( 0.634 2.583 8.070) 8.497 12.089 ( 8.641 -2.661 -6.995) 11.432 12.504 ( -7.323 -7.887 -0.526) 10.775 12.881 ( 3.204 0.412 3.310) 4.625 13.142 ( 5.990 -3.659 5.335) 8.816 13.163 ( 12.405 -13.496 2.121) 18.453 13.683 ( -7.489 15.869 1.555) 17.617 13.950 ( 5.779 16.962 2.337) 18.071 15.109 ( 4.582 -1.570 -5.758) 7.524 15.190 ( 7.153 2.208 -7.585) 10.657 15.559 ( -7.455 -6.951 2.358) 10.462 15.841 ( -2.259 -0.427 -1.560) 2.778 16.242 ( 0.484 -5.446 9.581) 11.031 16.510 ( 1.253 -0.578 -8.737) 8.845 17.316 ( -8.456 0.757 15.763) 17.904 17.819 ( 9.868 -4.843 -9.427) 14.481 18.072 ( -6.259 -5.744 3.141) 9.057 18.485 ( 10.331 -3.805 -1.517) 11.114 18.887 ( -13.468 -2.688 7.933) 15.860 19.012 ( -14.243 0.410 -0.873) 14.276 19.874 ( 4.335 -6.628 20.443) 21.924 20.316 ( 11.697 -4.845 -32.727) 35.090 23.527 ( -12.687 -0.331 25.559) 28.537 24.057 ( 0.322 -1.431 -21.942) 21.991 24.364 ( 0.448 -2.519 12.527) 12.786 24.661 ( 5.012 -2.222 -20.140) 20.873 ======================= Grid point 198 (100/125) ======================= q-point: ( 0.29 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 8.039 10.880 1.969) 13.670 2.041 ( 16.098 2.174 8.521) 18.343 2.086 ( -3.700 5.837 3.442) 7.721 2.184 ( 4.914 1.855 7.455) 9.119 2.385 ( 6.045 1.001 -11.439) 12.977 2.501 ( 4.722 -5.432 3.450) 7.982 2.689 ( -2.540 -2.696 -5.139) 6.335 2.913 ( -9.996 -4.270 7.666) 13.301 3.280 ( -6.574 4.217 -5.452) 9.525 3.358 ( -2.911 -2.694 -2.888) 4.906 3.862 ( 1.084 -1.684 18.426) 18.535 3.884 ( 6.596 -1.364 -0.061) 6.736 3.982 ( 0.505 -5.516 13.241) 14.353 4.018 ( 3.721 -3.913 -0.079) 5.401 4.286 ( -3.342 2.737 0.283) 4.329 4.390 ( 0.464 -1.788 14.074) 14.195 4.577 ( 1.175 -2.618 -8.258) 8.742 4.641 ( -4.396 -3.272 15.260) 16.214 5.019 ( 5.556 7.387 -4.677) 10.359 5.033 ( 4.913 5.551 -8.886) 11.572 5.168 ( 3.991 6.528 -3.615) 8.462 5.235 ( 4.558 0.598 -3.365) 5.697 5.428 ( -3.440 6.351 -8.062) 10.825 5.780 ( -4.053 -2.384 -4.362) 6.415 6.626 ( 8.327 1.336 6.877) 10.882 6.679 ( 11.118 -0.355 -5.625) 12.465 7.283 ( 0.202 -2.206 3.302) 3.976 7.351 ( -1.196 -0.494 -1.189) 1.757 7.642 ( -3.350 2.134 2.956) 4.951 7.703 ( -8.753 2.926 -1.381) 9.332 7.867 ( -2.723 6.044 -3.531) 7.511 8.142 ( -5.054 5.361 -3.809) 8.294 8.356 ( 0.685 9.754 3.022) 10.234 8.465 ( 0.577 2.588 -4.428) 5.161 9.060 ( -7.403 -4.333 4.100) 9.507 9.167 ( -1.130 5.701 -3.190) 6.630 9.445 ( 0.058 3.529 10.242) 10.833 9.492 ( -3.445 0.038 -2.910) 4.510 9.685 ( -3.100 6.120 3.084) 7.522 9.818 ( -3.554 -5.312 1.892) 6.665 10.043 ( -8.104 0.105 -16.570) 18.445 10.152 ( -2.615 10.314 -10.190) 14.733 10.642 ( 1.830 -6.131 6.589) 9.184 11.011 ( 2.400 9.940 16.784) 19.654 11.483 ( -8.821 -1.745 1.846) 9.180 11.742 ( -2.108 1.232 -6.709) 7.140 11.926 ( 7.056 -0.410 12.820) 14.639 12.220 ( 5.295 2.629 -3.587) 6.914 12.432 ( -0.438 -11.636 0.251) 11.647 12.804 ( -7.033 -1.757 -1.012) 7.320 13.259 ( 7.258 -1.282 2.604) 7.817 13.546 ( 3.772 4.309 6.084) 8.355 13.595 ( 11.593 -6.993 5.317) 14.545 14.066 ( 5.033 8.978 2.271) 10.540 15.095 ( -4.111 -4.914 -14.320) 15.688 15.191 ( -4.178 0.556 0.550) 4.251 15.602 ( 5.070 -6.572 -3.222) 8.903 15.753 ( 3.017 0.646 5.197) 6.044 16.327 ( 0.989 -1.339 0.144) 1.671 16.427 ( -5.283 2.856 -7.496) 9.605 17.268 ( -1.790 1.167 21.237) 21.345 17.939 ( 6.828 -2.492 -12.302) 14.289 18.093 ( 5.185 -8.116 9.740) 13.698 18.616 ( 2.633 -4.269 -4.396) 6.670 18.643 ( -12.807 -2.120 6.808) 14.658 18.721 ( -15.153 0.887 1.768) 15.282 19.992 ( 0.235 -6.131 19.809) 20.738 20.414 ( 10.151 -3.985 -33.501) 35.231 23.371 ( -12.354 1.662 27.549) 30.238 23.958 ( -1.255 -0.311 -26.795) 26.827 24.408 ( -0.562 -3.083 13.156) 13.524 24.699 ( 5.664 -1.887 -19.146) 20.055 ======================= Grid point 199 (101/125) ======================= q-point: ( 0.43 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 6.291 11.148 9.701) 16.061 1.937 ( -8.917 9.113 -0.831) 12.777 2.330 ( 6.601 2.098 6.154) 9.265 2.369 ( 12.927 1.644 2.167) 13.210 2.474 ( 5.626 -1.919 -2.732) 6.542 2.592 ( 1.289 -7.909 1.047) 8.082 2.633 ( -8.995 -3.155 4.838) 10.690 2.724 ( -0.686 -4.592 -9.493) 10.568 3.139 ( -4.622 4.094 -1.472) 6.348 3.233 ( -8.418 -3.919 -2.946) 9.742 3.912 ( -6.349 7.185 16.470) 19.058 3.975 ( -3.495 -4.293 22.628) 23.295 4.023 ( 7.011 -3.369 2.342) 8.123 4.169 ( 8.791 -3.854 -0.471) 9.610 4.240 ( -0.923 -1.396 -0.167) 1.682 4.444 ( -1.131 -3.481 6.959) 7.863 4.564 ( 0.608 -3.417 -4.304) 5.529 4.646 ( 1.128 4.583 11.122) 12.082 5.020 ( -1.952 7.436 -3.867) 8.606 5.135 ( 6.911 5.751 -10.217) 13.609 5.184 ( -0.321 6.491 -2.597) 6.999 5.316 ( 1.956 8.756 -8.913) 12.646 5.386 ( 4.102 -2.036 -0.124) 4.582 5.645 ( -7.228 -3.386 -8.015) 11.311 6.761 ( 1.817 1.341 7.504) 7.836 6.842 ( 7.014 -0.813 -5.265) 8.808 7.213 ( -8.682 1.994 14.118) 16.693 7.348 ( 0.777 0.621 2.715) 2.892 7.562 ( -4.247 1.301 -4.220) 6.127 7.622 ( 1.251 2.466 -4.532) 5.309 7.856 ( 2.270 3.471 -0.264) 4.156 8.043 ( -3.718 5.917 -6.453) 9.512 8.361 ( -1.159 6.605 4.450) 8.048 8.460 ( 0.705 3.337 -5.460) 6.437 8.999 ( -1.168 -0.520 4.354) 4.538 9.120 ( -1.983 2.814 -5.667) 6.631 9.408 ( 0.272 7.168 4.818) 8.641 9.505 ( -2.857 1.938 4.574) 5.730 9.590 ( -3.070 8.746 -0.742) 9.299 9.801 ( -3.455 -2.121 2.037) 4.537 9.849 ( -2.443 -0.150 -8.395) 8.744 10.071 ( -1.973 6.739 -11.474) 13.452 10.818 ( 11.027 -8.246 10.708) 17.443 11.137 ( 0.796 2.008 5.557) 5.962 11.330 ( -4.366 3.417 7.142) 9.041 11.667 ( -2.045 1.516 -10.861) 11.155 12.063 ( 3.215 0.926 10.823) 11.328 12.234 ( -1.427 2.393 -3.602) 4.554 12.485 ( 4.254 -13.144 2.754) 14.087 12.678 ( -4.812 -5.511 -4.384) 8.529 13.389 ( 2.253 0.899 6.608) 7.039 13.498 ( 0.506 4.468 -1.509) 4.743 13.932 ( 12.164 -6.451 6.977) 15.436 14.131 ( 1.777 2.025 -2.382) 3.596 14.955 ( -10.521 -10.906 2.464) 15.352 15.034 ( -4.171 -5.566 -7.871) 10.504 15.697 ( 8.740 2.233 2.096) 9.261 15.966 ( 6.004 1.912 -1.743) 6.538 16.178 ( -4.587 2.604 -5.523) 7.637 16.347 ( -5.950 2.197 -3.575) 7.281 17.410 ( 7.062 -0.117 26.237) 27.171 17.987 ( 0.471 -1.303 -14.893) 14.957 18.247 ( 5.610 -9.330 11.966) 16.178 18.414 ( -8.538 -1.677 6.768) 11.024 18.543 ( -2.329 1.741 -3.064) 4.224 18.608 ( -3.729 -4.611 -5.200) 7.887 20.010 ( -5.438 -4.655 21.171) 22.349 20.468 ( 7.178 -4.384 -31.393) 32.500 23.272 ( -8.160 2.760 29.922) 31.137 23.860 ( 1.364 0.873 -28.957) 29.002 24.430 ( -1.888 -3.180 13.303) 13.807 24.734 ( 4.664 -1.987 -18.938) 19.605 ======================= Grid point 200 (102/125) ======================= q-point: (-0.43 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -9.528 7.440 7.447) 14.199 1.797 ( -1.599 10.740 7.535) 13.217 2.391 ( -12.293 -4.056 7.949) 15.191 2.431 ( -1.295 5.156 -6.534) 8.423 2.482 ( 1.910 2.816 -7.122) 7.893 2.536 ( -3.090 -3.695 3.616) 6.023 2.584 ( 2.193 -6.134 1.979) 6.808 2.852 ( 13.816 -3.936 -10.841) 17.997 3.098 ( -3.396 1.767 2.253) 4.442 3.169 ( 6.243 -2.972 4.161) 8.070 3.731 ( -17.265 8.877 24.732) 31.441 3.976 ( -4.132 1.718 12.528) 13.303 4.186 ( 6.547 -2.908 4.988) 8.729 4.221 ( -2.499 -6.118 -1.643) 6.810 4.240 ( -0.318 -10.026 2.387) 10.311 4.429 ( 0.682 -4.369 -2.372) 5.018 4.565 ( -1.092 -1.839 3.456) 4.065 4.728 ( 3.416 6.448 2.569) 7.736 4.927 ( -6.733 6.634 -0.922) 9.496 5.170 ( -0.282 7.674 -0.539) 7.698 5.199 ( 3.973 7.595 -16.458) 18.556 5.280 ( -0.487 5.275 -3.419) 6.305 5.471 ( -3.824 -3.125 -7.612) 9.074 5.553 ( 6.998 -1.276 0.711) 7.149 6.718 ( -8.029 1.521 7.613) 11.169 6.863 ( -3.806 -1.282 -3.352) 5.231 7.146 ( -4.490 4.702 18.400) 19.515 7.357 ( -1.427 -0.274 4.326) 4.564 7.539 ( 3.811 1.843 -4.912) 6.484 7.676 ( 6.924 1.649 -7.423) 10.284 7.941 ( 5.474 2.918 3.214) 6.986 7.963 ( -1.598 7.474 -9.038) 11.836 8.361 ( 0.018 3.949 4.297) 5.836 8.444 ( -0.879 4.622 -3.543) 5.890 8.992 ( 0.329 -4.737 2.588) 5.408 9.119 ( 1.512 5.587 -3.861) 6.958 9.423 ( -0.611 6.464 0.669) 6.527 9.516 ( 7.176 10.406 6.183) 14.072 9.603 ( 0.727 0.796 7.434) 7.512 9.718 ( -1.287 1.673 -9.215) 9.454 9.845 ( -1.045 5.544 5.792) 8.086 10.027 ( 1.495 0.580 -10.622) 10.743 10.980 ( -11.216 -6.261 -6.399) 14.351 11.071 ( 11.124 -8.118 9.402) 16.675 11.426 ( 4.620 7.979 10.887) 14.267 11.610 ( 1.557 3.929 -14.980) 15.565 12.107 ( -2.639 -0.279 7.004) 7.490 12.202 ( -0.197 2.625 -0.554) 2.690 12.521 ( -3.090 -10.380 0.486) 10.841 12.653 ( 5.654 -8.482 -3.857) 10.900 13.357 ( -5.513 1.034 7.167) 9.100 13.565 ( 4.639 3.030 -5.428) 7.757 13.986 ( -7.840 -2.516 1.906) 8.452 14.168 ( 3.053 -1.870 -6.720) 7.614 14.772 ( -6.698 -6.748 13.270) 16.325 15.095 ( 9.586 -8.149 -6.174) 14.015 15.742 ( -12.867 -0.544 -1.532) 12.970 15.932 ( 8.188 5.328 0.655) 9.791 16.152 ( -10.224 3.209 -3.267) 11.203 16.321 ( 9.182 1.163 -0.568) 9.273 17.608 ( 1.933 -2.098 22.984) 23.161 17.822 ( -9.072 0.379 -14.195) 16.851 18.361 ( 4.101 -7.708 7.123) 11.268 18.460 ( 1.942 -2.432 4.417) 5.403 18.470 ( 0.254 -5.571 -5.906) 8.122 18.600 ( 7.457 1.656 -3.540) 8.419 19.942 ( -9.477 -3.709 23.629) 25.727 20.472 ( 3.689 -5.456 -27.522) 28.299 23.273 ( -2.769 3.002 32.228) 32.486 23.828 ( 5.722 1.472 -28.374) 28.982 24.424 ( -3.476 -3.110 13.191) 13.992 24.745 ( 3.326 -2.363 -19.215) 19.643 ======================= Grid point 201 (103/125) ======================= q-point: (-0.29 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -16.146 7.421 4.350) 18.294 1.826 ( -2.737 7.690 22.007) 23.472 2.137 ( -16.823 -0.546 -0.772) 16.850 2.306 ( -3.788 5.452 -4.251) 7.883 2.459 ( 0.339 0.862 -12.522) 12.557 2.547 ( -4.155 -8.661 -1.439) 9.714 2.628 ( 7.265 1.937 1.472) 7.662 3.071 ( 7.258 -0.763 -0.582) 7.321 3.155 ( 7.901 1.082 1.888) 8.195 3.305 ( 5.125 -4.699 2.712) 7.464 3.494 ( -16.179 11.015 29.912) 35.746 3.899 ( -4.611 1.324 4.560) 6.618 4.119 ( -5.597 -11.510 -0.703) 12.818 4.245 ( 0.037 -11.879 3.570) 12.404 4.292 ( 0.633 -7.050 10.152) 12.376 4.447 ( 2.651 -0.612 -11.301) 11.623 4.539 ( -2.186 -1.035 3.600) 4.337 4.746 ( -2.147 1.107 -1.791) 3.008 4.788 ( -7.521 8.918 6.136) 13.181 5.139 ( -2.862 10.882 -4.932) 12.285 5.207 ( 4.322 8.853 -16.724) 19.410 5.269 ( -3.224 -6.071 3.699) 7.806 5.404 ( 2.563 5.054 -10.809) 12.204 5.700 ( 5.652 -0.140 4.905) 7.485 6.560 ( -10.581 1.638 6.539) 12.546 6.710 ( -9.768 -1.276 -2.496) 10.162 7.140 ( -2.436 3.167 15.854) 16.349 7.325 ( -2.867 -1.284 2.765) 4.185 7.652 ( 7.814 2.082 -1.318) 8.193 7.801 ( 7.605 2.458 -6.983) 10.613 7.926 ( 1.532 7.679 -7.804) 11.055 8.068 ( 6.132 4.359 3.830) 8.443 8.378 ( -0.296 2.889 2.189) 3.636 8.431 ( 1.231 5.371 -2.461) 6.035 9.052 ( 2.147 -5.523 4.462) 7.417 9.117 ( 2.736 6.043 0.111) 6.634 9.453 ( 0.951 -2.982 -0.804) 3.231 9.649 ( 0.371 -2.112 14.391) 14.550 9.681 ( 3.433 6.556 -11.696) 13.840 9.751 ( 10.268 13.655 4.674) 17.712 9.876 ( 5.189 9.209 7.394) 12.900 10.033 ( 2.097 -2.671 -8.531) 9.182 10.766 ( -7.896 -5.157 -6.559) 11.487 11.251 ( 5.406 -3.486 -1.392) 6.581 11.508 ( 3.965 3.429 2.114) 5.652 11.651 ( 4.856 1.982 -6.204) 8.124 12.032 ( -5.818 -2.649 2.604) 6.903 12.173 ( -5.086 5.306 2.870) 7.891 12.457 ( -1.767 -8.233 -3.018) 8.945 12.787 ( 7.780 -5.798 0.142) 9.704 13.263 ( -6.182 -1.167 2.272) 6.689 13.616 ( 2.191 3.566 -2.401) 4.825 13.736 ( -15.507 -8.512 -7.789) 19.328 14.157 ( -1.483 8.142 -7.456) 11.140 14.800 ( 2.102 -0.267 16.316) 16.453 15.194 ( -2.556 2.685 -0.154) 3.710 15.583 ( 0.176 -13.356 -0.543) 13.368 15.860 ( -7.724 2.958 -6.603) 10.584 16.185 ( 6.717 5.902 9.643) 13.151 16.426 ( 2.475 -2.161 -2.843) 4.345 17.591 ( -3.392 -1.490 -4.979) 6.206 17.674 ( -6.627 -0.197 9.623) 11.686 18.251 ( -7.429 -6.360 -7.193) 12.140 18.522 ( 2.356 -5.157 4.539) 7.263 18.679 ( 10.617 -3.110 2.429) 11.327 18.810 ( 18.349 0.477 -5.659) 19.208 19.827 ( -11.336 -3.343 26.474) 28.993 20.416 ( -0.462 -7.483 -23.812) 24.964 23.381 ( 2.131 1.758 33.194) 33.308 23.883 ( 9.628 1.607 -26.218) 27.976 24.387 ( -5.156 -2.949 13.290) 14.557 24.730 ( 2.165 -2.867 -19.672) 19.997 ======================= Grid point 202 (104/125) ======================= q-point: (-0.14 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -6.943 6.627 11.243) 14.783 1.796 ( -16.837 2.113 -5.431) 17.817 1.857 ( -2.470 4.984 26.096) 26.682 2.262 ( 0.035 3.132 -3.515) 4.709 2.420 ( -1.576 -0.498 -8.524) 8.683 2.471 ( -1.244 -5.043 -8.384) 9.862 2.778 ( 7.637 2.862 0.762) 8.192 3.071 ( -6.445 2.511 1.796) 7.147 3.241 ( -1.174 3.275 4.507) 5.693 3.377 ( 1.423 1.747 -2.568) 3.417 3.397 ( -2.925 10.648 30.061) 32.025 3.934 ( 6.254 -7.893 4.033) 10.847 4.041 ( -2.291 -17.768 2.372) 18.072 4.212 ( -5.811 -5.252 -4.919) 9.249 4.323 ( 2.992 -16.329 2.938) 16.858 4.421 ( -2.778 0.952 1.545) 3.318 4.541 ( 1.005 1.046 1.214) 1.892 4.653 ( -5.942 -3.145 6.015) 9.021 4.736 ( -1.178 9.123 4.328) 10.166 5.053 ( -3.382 7.630 -6.835) 10.788 5.153 ( -6.327 2.290 -8.588) 10.910 5.238 ( 3.004 6.203 -14.138) 15.729 5.495 ( 8.046 3.571 -0.261) 8.807 5.770 ( -0.410 1.088 3.436) 3.627 6.397 ( -7.691 1.733 5.639) 9.692 6.534 ( -6.829 -0.819 -3.141) 7.561 7.160 ( -0.452 -0.031 11.636) 11.645 7.288 ( -1.472 -0.938 1.717) 2.448 7.767 ( 3.742 1.075 -0.507) 3.926 7.863 ( 2.286 1.086 -8.371) 8.745 8.012 ( 8.651 10.451 -2.430) 13.783 8.184 ( 4.092 4.888 3.420) 7.235 8.366 ( -0.757 4.192 -1.091) 4.397 8.434 ( -1.048 6.168 -1.960) 6.556 9.083 ( 0.921 4.616 10.114) 11.156 9.250 ( 8.257 -7.534 0.732) 11.201 9.428 ( -1.824 -1.873 -4.795) 5.462 9.633 ( -5.160 0.838 -2.656) 5.863 9.712 ( -0.399 -0.659 14.757) 14.777 9.886 ( 5.601 7.440 -1.931) 9.511 10.060 ( 4.734 -3.242 -9.421) 11.031 10.111 ( 8.509 11.669 2.413) 14.642 10.736 ( 9.576 -0.880 1.756) 9.775 11.314 ( 5.885 2.472 -11.105) 12.809 11.581 ( -1.314 -3.893 1.389) 4.337 11.665 ( -3.033 1.619 4.035) 5.301 11.953 ( -1.613 0.584 -4.111) 4.455 12.016 ( -10.871 4.076 0.982) 11.652 12.463 ( 3.484 -7.471 2.148) 8.518 12.914 ( 4.675 -2.310 0.210) 5.219 13.114 ( -12.597 -6.598 2.021) 14.363 13.335 ( -15.985 -11.856 -9.676) 22.129 13.732 ( 6.919 14.397 -3.410) 16.333 14.038 ( -8.330 19.631 -7.559) 22.625 14.913 ( 4.386 0.501 13.256) 13.972 15.081 ( -6.102 0.857 4.705) 7.753 15.615 ( 3.372 -5.275 -3.066) 6.971 15.839 ( 2.413 -3.105 -0.814) 4.016 16.281 ( 0.485 1.087 8.293) 8.378 16.434 ( 0.950 -4.689 -4.343) 6.461 17.569 ( -7.868 -2.350 14.230) 16.430 17.575 ( 3.211 -0.261 -8.986) 9.546 18.164 ( 1.602 -6.028 -5.185) 8.111 18.464 ( -8.219 -4.405 0.026) 9.325 18.901 ( 10.680 -3.109 3.754) 11.740 19.131 ( 14.829 0.184 -10.299) 18.055 19.720 ( -8.573 -3.590 27.844) 29.354 20.303 ( -2.362 -9.295 -22.619) 24.568 23.546 ( 2.641 -1.213 30.420) 30.558 23.995 ( 10.429 1.210 -23.707) 25.928 24.329 ( -5.311 -2.551 14.242) 15.413 24.696 ( 1.509 -3.199 -20.270) 20.576 ======================= Grid point 203 (105/125) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 5.457 6.431 11.706) 14.428 1.583 ( -5.890 5.085 -7.772) 10.998 2.042 ( 0.730 6.493 16.397) 17.651 2.293 ( -1.738 0.599 0.422) 1.886 2.314 ( 0.377 0.909 -0.966) 1.379 2.392 ( 0.465 -2.805 -12.144) 12.473 2.940 ( 1.560 -0.751 5.957) 6.204 3.024 ( -6.248 3.008 -1.039) 7.012 3.346 ( 1.108 2.266 7.214) 7.642 3.488 ( 0.988 4.599 -6.004) 7.627 3.602 ( 0.339 -18.307 5.331) 19.071 3.647 ( -1.121 -18.543 -0.269) 18.578 3.773 ( 2.938 11.373 16.244) 20.046 3.988 ( -5.952 -1.400 -4.699) 7.712 4.264 ( 7.139 -3.920 7.030) 10.759 4.347 ( -5.298 -2.741 -0.867) 6.027 4.467 ( -4.989 -1.330 10.317) 11.537 4.605 ( 1.791 4.999 -1.125) 5.427 4.916 ( 4.274 4.051 9.975) 11.583 5.056 ( -2.210 1.415 -0.597) 2.691 5.196 ( -0.885 7.687 -12.637) 14.818 5.289 ( 0.675 2.579 -13.862) 14.115 5.697 ( 5.056 1.762 3.795) 6.563 5.778 ( -3.961 3.880 -3.726) 6.680 6.419 ( 1.810 4.001 3.431) 5.573 6.464 ( 0.053 1.365 -1.823) 2.278 7.146 ( -1.529 -2.072 9.363) 9.711 7.262 ( 2.206 -2.558 -2.239) 4.052 7.799 ( -2.793 1.790 2.905) 4.409 7.913 ( 1.256 2.419 -8.083) 8.530 8.326 ( -3.428 6.369 3.957) 8.244 8.387 ( 6.784 6.771 0.104) 9.585 8.469 ( 0.149 4.502 -2.476) 5.140 8.503 ( -1.214 7.005 -3.213) 7.802 9.123 ( 1.571 -3.880 14.365) 14.962 9.309 ( -3.915 -4.856 -3.233) 7.026 9.410 ( 3.077 4.327 1.792) 5.604 9.462 ( -3.761 1.019 -3.735) 5.398 9.737 ( -2.482 1.560 8.515) 9.006 9.965 ( 2.370 -4.368 -13.445) 14.334 10.153 ( 2.670 4.871 8.014) 9.751 10.291 ( -2.579 7.557 -6.008) 9.993 11.164 ( 14.058 7.471 8.845) 18.212 11.334 ( -13.070 5.786 -8.153) 16.455 11.578 ( 12.680 1.644 8.543) 15.378 11.721 ( -14.860 8.737 -4.111) 17.722 11.790 ( -0.296 -2.109 5.554) 5.948 11.960 ( -1.369 -0.197 -9.705) 9.803 12.526 ( 10.849 -2.357 8.317) 13.872 12.649 ( -13.549 -1.599 -4.017) 14.222 12.950 ( 3.991 -3.887 4.831) 7.373 13.046 ( -3.244 -4.656 -4.312) 7.127 14.209 ( 3.673 16.521 2.505) 17.109 14.282 ( -8.742 19.336 -5.284) 21.868 15.000 ( 0.564 -2.475 4.066) 4.793 15.038 ( 8.535 -0.698 -0.270) 8.567 15.659 ( -6.873 -4.054 2.469) 8.352 15.715 ( 6.133 -4.120 -3.394) 8.131 16.184 ( -11.410 -8.216 5.530) 15.109 16.285 ( 10.312 -10.845 -4.888) 15.743 17.409 ( -6.731 -1.265 15.194) 16.666 17.601 ( 3.745 -2.844 -2.581) 5.365 18.139 ( -6.655 -5.369 -0.359) 8.558 18.187 ( 6.057 -4.913 -5.523) 9.556 18.989 ( -0.994 -1.050 9.714) 9.821 19.194 ( -3.186 0.144 -11.997) 12.413 19.611 ( -0.635 -7.638 21.317) 22.653 20.037 ( 8.055 -11.077 -23.397) 27.111 23.599 ( -5.062 0.329 26.283) 26.768 24.063 ( 2.839 -0.677 -16.976) 17.225 24.249 ( 0.468 -4.452 7.322) 8.582 24.576 ( 3.222 -5.268 -21.141) 22.025 ======================= Grid point 204 (106/125) ======================= q-point: ( 0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 5.513 9.895 -6.468) 13.043 1.642 ( 15.084 -0.779 10.123) 18.182 2.121 ( 2.769 5.177 12.322) 13.650 2.278 ( -0.400 3.772 1.325) 4.018 2.352 ( 2.653 -0.619 0.848) 2.853 2.364 ( 2.107 -1.614 -11.993) 12.283 2.860 ( -9.979 4.052 0.691) 10.792 2.929 ( -5.827 -4.887 8.695) 11.551 3.330 ( -4.828 -2.002 1.299) 5.386 3.490 ( 2.576 -0.047 -3.785) 4.579 3.640 ( 0.779 -16.164 5.981) 17.252 3.673 ( 2.358 -7.140 0.148) 7.521 3.873 ( -0.379 3.901 13.155) 13.726 3.933 ( 4.302 2.216 -2.134) 5.289 4.295 ( 2.549 1.488 0.561) 3.004 4.398 ( 0.263 -3.031 5.469) 6.259 4.434 ( -1.325 -2.885 11.595) 12.022 4.657 ( 3.899 7.065 -0.235) 8.073 5.022 ( -0.030 -1.541 -0.603) 1.655 5.062 ( 7.101 3.761 4.229) 9.080 5.203 ( 5.509 7.215 -10.074) 13.561 5.266 ( 1.331 5.912 -8.951) 10.809 5.674 ( -4.426 5.797 -6.845) 10.002 5.768 ( 0.451 -1.797 3.053) 3.571 6.513 ( 6.677 3.549 1.812) 7.776 6.523 ( 6.859 1.543 -3.188) 7.720 7.176 ( 1.711 -3.518 6.482) 7.571 7.308 ( 3.189 -1.529 -2.381) 4.264 7.735 ( -5.162 1.838 5.850) 8.015 7.884 ( -2.300 2.112 -5.605) 6.416 8.169 ( -11.415 7.421 -0.110) 13.615 8.372 ( -4.304 4.424 -3.629) 7.160 8.483 ( 1.144 -0.276 0.421) 1.250 8.576 ( 5.383 14.140 -2.961) 15.417 9.127 ( -9.384 -4.318 -3.484) 10.901 9.186 ( -0.745 -2.741 14.084) 14.368 9.455 ( 5.286 -0.961 -7.515) 9.238 9.532 ( 4.392 6.474 7.262) 10.674 9.688 ( -5.255 1.294 9.365) 10.816 9.931 ( -2.439 -3.080 -9.932) 10.681 10.213 ( -0.118 4.520 -4.332) 6.261 10.251 ( 1.555 5.126 3.806) 6.571 10.936 ( -19.693 9.402 -10.144) 24.064 11.289 ( -9.911 12.974 7.488) 17.962 11.512 ( 1.364 -1.158 -2.017) 2.696 11.757 ( 4.370 0.951 12.907) 13.660 11.868 ( -2.473 3.452 -5.602) 7.030 11.992 ( 10.197 -4.405 3.835) 11.751 12.447 ( -6.705 1.056 -1.749) 7.010 12.841 ( 7.816 -3.718 2.443) 8.993 12.947 ( 7.290 -7.080 2.875) 10.561 13.093 ( 6.728 -1.839 2.448) 7.392 13.997 ( -15.010 13.922 -1.084) 20.501 14.249 ( -2.840 12.204 5.806) 13.810 15.078 ( 3.694 -1.640 -6.320) 7.502 15.256 ( 13.406 3.861 -6.835) 15.535 15.386 ( -12.879 -9.489 3.467) 16.368 15.793 ( -7.632 -3.806 -0.715) 8.558 16.097 ( 7.276 -8.439 6.704) 13.003 16.462 ( 6.791 -4.719 -5.224) 9.782 17.337 ( -6.588 1.413 17.050) 18.333 17.696 ( 7.154 -6.223 -2.767) 9.878 17.970 ( -5.944 -3.541 0.802) 6.966 18.373 ( 9.875 -7.004 -2.913) 12.452 18.847 ( -13.360 -0.682 5.321) 14.397 19.024 ( -12.745 0.918 -1.400) 12.854 19.709 ( 4.445 -8.878 15.072) 18.048 20.169 ( 12.671 -9.547 -28.144) 32.307 23.537 ( -10.066 1.684 25.539) 27.503 24.032 ( 0.238 -0.860 -17.364) 17.387 24.286 ( 0.612 -5.002 6.717) 8.397 24.591 ( 5.687 -4.710 -20.678) 21.957 ======================= Grid point 205 (107/125) ======================= q-point: ( 0.29 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 9.728 11.317 -1.407) 14.990 1.950 ( 13.507 -8.310 6.543) 17.155 2.205 ( 1.294 1.465 -3.750) 4.229 2.309 ( 3.581 11.856 10.015) 15.928 2.377 ( 3.390 -4.983 -1.728) 6.270 2.437 ( 5.380 1.709 -3.537) 6.662 2.686 ( -7.852 2.938 0.798) 8.422 2.790 ( -10.743 -5.868 7.682) 14.452 3.222 ( -5.583 -4.765 -1.558) 7.504 3.494 ( -4.624 11.315 -4.921) 13.177 3.630 ( 3.195 -17.994 4.569) 18.838 3.809 ( 8.858 -9.161 5.085) 13.720 3.887 ( -1.838 -1.207 14.715) 14.878 4.077 ( 7.973 6.924 1.020) 10.609 4.353 ( 0.226 0.286 -2.787) 2.811 4.401 ( -4.889 -3.646 11.302) 12.843 4.444 ( 3.547 3.368 10.020) 11.150 4.728 ( 3.552 8.635 -2.155) 9.582 5.076 ( 5.120 -1.824 0.384) 5.448 5.201 ( 7.385 4.912 -1.312) 8.966 5.244 ( 1.745 5.869 -6.759) 9.120 5.306 ( 3.472 6.424 -3.728) 8.199 5.576 ( -2.763 6.788 -10.648) 12.926 5.728 ( -5.054 -2.553 -0.405) 5.677 6.659 ( 7.494 1.563 2.767) 8.140 6.680 ( 10.112 0.489 -4.093) 10.919 7.234 ( 1.625 -2.019 5.212) 5.821 7.353 ( 1.519 0.092 0.547) 1.617 7.663 ( -4.386 0.381 6.507) 7.857 7.762 ( -9.208 1.692 -3.070) 9.853 7.988 ( -5.712 6.280 -0.080) 8.489 8.268 ( -4.912 6.196 -3.853) 8.796 8.499 ( 1.357 0.240 -2.454) 2.814 8.623 ( 0.400 14.766 -2.652) 15.007 8.979 ( -3.323 -2.274 -3.875) 5.589 9.221 ( -0.618 -2.447 6.794) 7.248 9.525 ( 2.113 2.270 -4.428) 5.406 9.596 ( -1.578 10.728 6.743) 12.769 9.656 ( 0.840 -2.943 13.560) 13.901 9.818 ( -4.964 -0.498 -6.067) 7.855 10.120 ( -7.053 7.925 -6.964) 12.690 10.336 ( 3.608 5.080 -0.401) 6.244 10.609 ( -8.092 5.194 -6.742) 11.744 11.191 ( -2.970 6.745 5.587) 9.248 11.466 ( -5.297 1.672 3.446) 6.537 11.781 ( -3.289 2.289 -6.795) 7.889 11.924 ( 7.690 0.245 10.808) 13.267 12.147 ( 3.593 -7.972 6.661) 10.993 12.353 ( -3.426 2.519 -0.746) 4.317 12.699 ( -10.361 -7.592 -5.085) 13.815 13.265 ( 10.107 1.430 3.221) 10.703 13.379 ( 23.517 -7.373 7.249) 25.690 13.736 ( -11.182 7.692 -0.716) 13.591 14.205 ( -3.374 4.815 3.644) 6.917 14.959 ( -12.526 -8.323 -3.865) 15.527 15.115 ( -14.997 -10.320 -3.933) 18.625 15.520 ( 12.891 0.706 -6.343) 14.384 15.797 ( 10.968 4.631 6.625) 13.625 16.283 ( 6.297 -3.671 2.405) 7.675 16.464 ( -3.456 0.552 -7.578) 8.347 17.302 ( -2.785 2.111 21.267) 21.552 17.837 ( 8.715 -8.129 -6.131) 13.402 17.953 ( 1.946 -3.552 8.475) 9.393 18.488 ( 2.590 -8.118 -5.354) 10.064 18.614 ( -11.887 -0.278 4.314) 12.649 18.745 ( -14.262 1.560 -1.324) 14.408 19.834 ( 2.206 -8.741 15.694) 18.099 20.280 ( 9.390 -9.344 -30.174) 32.954 23.427 ( -10.056 4.001 26.126) 28.279 23.962 ( -0.025 0.872 -23.124) 23.141 24.317 ( -0.548 -5.748 10.787) 12.235 24.634 ( 5.883 -4.642 -20.332) 21.669 ======================= Grid point 206 (108/125) ======================= q-point: ( 0.43 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 5.707 10.136 5.526) 12.878 2.116 ( -4.513 0.671 -5.701) 7.302 2.196 ( 5.842 -7.848 6.495) 11.744 2.383 ( 0.373 -6.244 0.174) 6.257 2.458 ( 1.919 4.093 7.298) 8.585 2.535 ( 6.504 4.631 -2.184) 8.277 2.590 ( -3.925 0.362 1.904) 4.377 2.653 ( -1.254 -1.378 -4.191) 4.587 3.159 ( 0.708 1.138 -0.231) 1.360 3.322 ( -10.532 9.018 -1.958) 14.003 3.762 ( 5.411 -14.791 10.349) 18.846 3.901 ( -0.741 -9.914 8.861) 13.317 3.991 ( 5.700 -1.612 9.848) 11.493 4.178 ( 1.413 8.390 0.668) 8.534 4.264 ( -7.842 1.760 11.198) 13.784 4.378 ( 1.375 -4.476 -8.998) 10.144 4.553 ( 1.285 5.573 16.232) 17.210 4.790 ( 4.737 8.460 -5.646) 11.219 5.149 ( -0.558 0.230 6.036) 6.066 5.254 ( 0.200 8.291 -3.828) 9.134 5.287 ( 2.594 0.547 -2.053) 3.353 5.382 ( 8.434 5.776 -7.081) 12.436 5.497 ( -1.508 7.258 -11.229) 13.455 5.590 ( -7.743 -1.147 -4.978) 9.276 6.779 ( 2.600 0.084 3.804) 4.608 6.827 ( 5.399 -0.581 -3.166) 6.286 7.261 ( -1.118 2.124 9.343) 9.646 7.357 ( -2.183 -0.084 7.251) 7.573 7.593 ( -4.948 0.995 -4.300) 6.631 7.621 ( -0.603 -1.617 -2.660) 3.171 7.957 ( 0.784 6.434 5.644) 8.594 8.177 ( -2.705 6.634 -6.249) 9.506 8.532 ( 3.194 3.288 -3.441) 5.732 8.578 ( -3.704 13.142 -1.425) 13.728 8.998 ( 5.106 0.736 -2.698) 5.822 9.139 ( -8.149 -2.101 -2.006) 8.651 9.506 ( -2.717 4.556 12.211) 13.313 9.640 ( 5.919 8.937 -5.392) 11.999 9.730 ( 0.753 -0.940 5.298) 5.433 9.766 ( -0.282 1.937 3.747) 4.228 9.941 ( -7.047 10.916 -0.749) 13.014 10.278 ( -4.218 12.984 -16.395) 21.335 10.669 ( 9.752 -6.283 7.690) 13.918 11.082 ( -9.589 -5.155 -7.439) 13.185 11.463 ( 2.637 7.832 13.259) 15.623 11.720 ( -0.768 3.747 -5.794) 6.943 12.086 ( 4.859 1.282 10.472) 11.615 12.191 ( 0.752 -12.979 4.783) 13.853 12.294 ( -3.091 1.444 -0.466) 3.443 12.510 ( -5.853 -9.462 -8.975) 14.295 13.442 ( 3.373 4.049 7.445) 9.121 13.588 ( -0.416 4.264 -2.796) 5.116 13.808 ( 16.734 -5.250 6.322) 18.643 14.135 ( -4.865 -1.947 -3.263) 6.173 14.687 ( -14.612 -14.331 7.386) 21.759 14.853 ( -6.263 -12.083 -11.249) 17.657 15.768 ( 13.642 4.854 2.118) 14.634 16.034 ( 4.608 4.877 -0.001) 6.710 16.245 ( -3.818 3.486 -2.455) 5.723 16.387 ( -3.288 1.436 -4.867) 6.047 17.403 ( 4.312 -0.566 25.783) 26.147 17.929 ( 2.279 -5.648 -13.572) 14.876 18.059 ( 4.061 -7.170 15.199) 17.289 18.375 ( -7.202 -2.772 -0.331) 7.724 18.493 ( -5.321 -5.068 0.569) 7.371 18.577 ( -0.960 1.821 -7.995) 8.255 19.879 ( -3.708 -7.932 18.803) 20.742 20.324 ( 6.050 -9.908 -29.499) 31.702 23.356 ( -6.728 5.610 27.271) 28.644 23.894 ( 2.173 2.716 -26.317) 26.546 24.335 ( -1.911 -6.106 13.143) 14.617 24.665 ( 4.595 -4.889 -20.407) 21.481 ======================= Grid point 207 (109/125) ======================= q-point: (-0.43 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -10.171 10.116 4.834) 15.138 1.978 ( -3.942 4.769 6.038) 8.645 2.268 ( -4.319 -6.544 4.526) 9.053 2.312 ( -2.650 -12.693 0.747) 12.988 2.508 ( -3.919 1.364 -1.027) 4.274 2.525 ( 3.347 0.460 2.739) 4.349 2.646 ( 5.389 10.480 -8.162) 14.334 2.756 ( 11.792 -4.609 -9.180) 15.639 3.143 ( -5.776 3.094 1.586) 6.742 3.237 ( 4.609 9.343 6.647) 12.358 3.790 ( -8.162 -10.801 11.524) 17.779 3.935 ( 2.661 -15.376 3.752) 16.050 4.038 ( -5.123 2.369 9.991) 11.476 4.094 ( -6.815 7.158 3.996) 10.660 4.239 ( -2.163 -0.068 8.340) 8.616 4.396 ( 4.492 -0.613 -8.355) 9.506 4.586 ( -3.020 4.797 14.214) 15.303 4.834 ( 1.332 5.325 -10.527) 11.872 5.092 ( -6.730 2.451 5.530) 9.049 5.204 ( -4.648 2.491 8.995) 10.427 5.344 ( 3.093 2.854 -8.570) 9.547 5.401 ( -2.753 7.167 -8.471) 11.432 5.477 ( 1.120 2.303 -11.247) 11.535 5.566 ( 9.044 4.338 -1.092) 10.090 6.746 ( -6.952 0.857 4.816) 8.500 6.826 ( -4.827 -2.271 -0.956) 5.420 7.254 ( -4.009 5.073 13.632) 15.087 7.347 ( -1.276 -0.822 2.750) 3.141 7.572 ( 3.770 0.485 -1.124) 3.964 7.663 ( 7.221 -2.399 -6.564) 10.049 8.033 ( 3.987 6.409 7.396) 10.568 8.128 ( 0.516 7.660 -9.321) 12.076 8.504 ( -2.539 9.306 -1.041) 9.702 8.581 ( 1.727 8.632 -1.584) 8.945 8.919 ( -7.538 -2.516 3.387) 8.639 9.191 ( 10.058 0.309 -5.472) 11.454 9.488 ( -3.398 2.860 7.088) 8.364 9.638 ( -7.510 2.786 7.061) 10.678 9.754 ( 5.230 4.271 -11.866) 13.653 9.846 ( 10.135 12.043 3.311) 16.084 9.954 ( 2.315 6.219 12.560) 14.205 10.135 ( -4.596 11.603 -15.351) 19.784 10.849 ( -9.690 -6.086 -9.427) 14.826 10.911 ( 11.287 -7.506 8.242) 15.864 11.565 ( 2.534 5.512 9.639) 11.389 11.703 ( 1.031 5.064 -8.984) 10.364 12.096 ( -7.021 -1.013 4.990) 8.673 12.266 ( 2.072 1.936 4.162) 5.037 12.284 ( 5.274 -10.333 3.812) 12.211 12.449 ( 3.334 -9.924 -9.542) 14.165 13.399 ( -7.384 3.399 9.022) 12.144 13.640 ( 2.970 4.050 -4.221) 6.561 13.898 ( -13.693 -6.212 -3.714) 15.488 14.113 ( 9.528 -3.261 -1.099) 10.131 14.601 ( 2.876 -10.217 13.524) 17.192 14.855 ( 9.895 -14.037 -8.688) 19.246 15.803 ( -17.502 5.925 -1.617) 18.548 16.032 ( 8.706 4.716 1.104) 9.963 16.232 ( -7.309 4.170 -1.853) 8.617 16.350 ( 4.749 1.483 -1.003) 5.075 17.546 ( -0.353 -3.815 22.883) 23.202 17.807 ( -7.802 -2.807 -11.250) 13.976 18.204 ( 6.774 -6.795 8.944) 13.117 18.331 ( -4.299 -7.083 -9.406) 12.535 18.418 ( 4.522 -1.475 7.585) 8.953 18.624 ( 7.725 1.129 -8.159) 11.293 19.830 ( -8.356 -7.129 21.570) 24.206 20.308 ( 2.059 -10.564 -25.980) 28.121 23.363 ( -2.563 5.853 28.321) 29.033 23.878 ( 5.781 3.543 -26.996) 27.835 24.330 ( -3.515 -6.131 14.169) 15.833 24.668 ( 3.064 -5.269 -20.652) 21.533 ======================= Grid point 208 (110/125) ======================= q-point: (-0.29 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -15.729 11.227 4.811) 19.914 1.951 ( -4.520 3.417 15.495) 16.499 2.082 ( -10.593 -4.822 -3.915) 12.279 2.336 ( 0.328 -3.799 3.590) 5.237 2.438 ( -3.730 0.137 -1.487) 4.017 2.513 ( -4.291 3.996 -9.717) 11.349 2.713 ( 6.559 5.937 -2.183) 9.112 2.958 ( 12.032 -7.333 -8.958) 16.697 3.187 ( 7.733 -3.309 2.192) 8.692 3.321 ( -0.094 10.895 12.712) 16.742 3.636 ( -8.066 -8.252 5.949) 12.982 3.862 ( -10.148 -5.749 -0.040) 11.664 3.965 ( -7.841 1.067 10.721) 13.325 4.040 ( 1.151 -0.309 5.141) 5.278 4.196 ( -4.874 -3.273 7.910) 9.851 4.455 ( 2.363 0.903 -1.729) 3.064 4.563 ( -2.670 2.581 7.924) 8.751 4.747 ( -6.165 1.775 -8.044) 10.289 4.971 ( -7.188 3.138 4.631) 9.108 5.154 ( -3.489 -0.077 3.339) 4.830 5.331 ( -1.183 6.183 0.636) 6.328 5.355 ( 0.812 5.754 -13.923) 15.087 5.510 ( 4.436 4.705 -8.094) 10.360 5.723 ( 6.971 2.588 1.015) 7.505 6.595 ( -9.771 1.379 4.304) 10.765 6.678 ( -9.152 -1.673 0.033) 9.303 7.213 ( -4.600 3.479 12.464) 13.733 7.299 ( -3.610 -0.925 0.039) 3.726 7.697 ( 7.565 1.212 1.693) 7.846 7.812 ( 8.912 -1.892 -6.176) 11.007 8.083 ( 2.684 7.986 -6.419) 10.591 8.187 ( 5.622 6.717 3.931) 9.601 8.478 ( -0.179 6.253 -1.847) 6.523 8.587 ( -0.225 10.098 1.391) 10.196 8.893 ( 2.819 -5.875 4.582) 7.965 9.315 ( 3.515 4.787 -3.026) 6.665 9.423 ( -3.735 2.066 1.692) 4.591 9.586 ( -1.611 -3.342 11.957) 12.519 9.794 ( 1.620 6.116 -8.057) 10.244 9.960 ( -0.619 -3.700 -6.730) 7.705 10.054 ( 1.041 12.724 -1.689) 12.878 10.145 ( 14.528 16.630 8.597) 23.697 10.677 ( -3.575 -2.789 -8.300) 9.458 11.139 ( 9.166 -6.264 7.241) 13.255 11.620 ( 1.483 5.722 3.788) 7.021 11.684 ( 0.011 2.382 -10.261) 10.534 11.980 ( -4.294 -1.839 4.259) 6.322 12.260 ( -5.030 1.982 0.242) 5.412 12.364 ( 2.720 0.348 -2.843) 3.950 12.604 ( 12.056 -11.447 1.950) 16.739 13.265 ( -8.922 1.370 2.990) 9.509 13.515 ( -21.373 -8.729 -4.946) 23.611 13.719 ( 7.346 2.804 -0.596) 7.885 14.300 ( 10.505 5.693 -5.733) 13.253 14.777 ( 7.656 -3.140 13.274) 15.642 15.119 ( 18.141 -13.816 -2.991) 22.998 15.441 ( -19.395 4.113 1.990) 19.926 15.936 ( -10.122 4.455 -8.053) 13.680 16.276 ( 3.536 2.460 5.563) 7.036 16.365 ( -2.139 -3.645 0.103) 4.228 17.549 ( -3.390 -3.089 10.577) 11.529 17.643 ( -7.034 -2.947 -1.352) 7.745 18.132 ( -6.935 -3.957 -7.414) 10.895 18.392 ( 3.570 -6.938 3.249) 8.452 18.610 ( 11.226 -3.066 2.949) 12.005 18.821 ( 16.929 0.466 -6.722) 18.221 19.724 ( -10.588 -6.534 23.132) 26.266 20.222 ( -2.711 -11.189 -21.130) 24.063 23.442 ( 0.396 4.403 28.655) 28.994 23.929 ( 9.009 3.077 -26.201) 27.877 24.298 ( -5.019 -5.864 14.559) 16.479 24.644 ( 1.913 -5.622 -20.884) 21.712 ======================= Grid point 209 (111/125) ======================= q-point: (-0.14 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -9.321 11.424 9.277) 17.420 1.797 ( -12.725 -0.680 -4.355) 13.467 1.990 ( -1.501 6.164 15.480) 16.730 2.333 ( -1.505 -2.191 1.654) 3.130 2.348 ( -4.059 1.790 -1.882) 4.819 2.424 ( -0.305 -0.161 -12.145) 12.150 2.846 ( 6.450 1.566 1.731) 6.860 3.084 ( 2.186 -2.249 -6.064) 6.827 3.302 ( 0.599 -2.120 7.816) 8.121 3.389 ( 7.539 4.311 2.474) 9.030 3.596 ( 0.687 -3.469 8.574) 9.274 3.692 ( -7.144 -13.516 -1.175) 15.334 3.817 ( -9.689 4.097 10.291) 14.717 4.082 ( -0.063 -4.474 -2.468) 5.110 4.147 ( -1.071 -2.153 11.375) 11.627 4.456 ( -2.904 0.519 -2.555) 3.902 4.519 ( -4.779 -0.496 11.344) 12.319 4.624 ( -3.278 1.271 -4.754) 5.912 4.878 ( -3.590 3.694 7.369) 8.991 5.099 ( -2.191 2.478 -2.098) 3.917 5.282 ( -3.032 7.716 -9.035) 12.262 5.324 ( 0.415 1.406 -11.489) 11.582 5.586 ( 5.345 4.726 -0.199) 7.138 5.812 ( 1.746 2.446 -0.489) 3.045 6.447 ( -6.218 2.720 3.860) 7.808 6.527 ( -6.143 0.344 -0.026) 6.153 7.169 ( -4.241 0.866 11.220) 12.025 7.251 ( -0.788 -2.614 -0.812) 2.848 7.802 ( 2.289 1.634 1.521) 3.198 7.899 ( 3.364 1.438 -8.718) 9.455 8.195 ( 10.310 6.870 -2.311) 12.603 8.298 ( 3.993 6.259 5.182) 9.054 8.474 ( -0.118 6.000 -0.456) 6.019 8.571 ( -2.176 7.060 -2.133) 7.690 9.010 ( 5.695 -6.163 9.558) 12.719 9.321 ( -0.976 7.435 3.724) 8.373 9.390 ( 0.674 -1.370 -7.517) 7.671 9.589 ( -5.003 -4.898 8.738) 11.197 9.745 ( -1.758 2.999 -2.913) 4.536 9.954 ( 2.849 -2.083 -10.691) 11.258 10.088 ( 1.247 8.143 7.484) 11.130 10.341 ( 1.621 8.973 -3.908) 9.921 10.785 ( 17.608 6.947 3.685) 19.284 11.321 ( 9.743 -1.997 4.668) 10.987 11.571 ( -7.131 3.681 -8.433) 11.641 11.699 ( 2.399 1.490 8.435) 8.895 11.964 ( 0.449 0.979 -6.041) 6.136 12.092 ( -11.759 3.688 -3.449) 12.797 12.391 ( 1.951 0.101 2.847) 3.453 12.815 ( 8.403 -7.025 3.336) 11.449 13.015 ( -20.987 -4.096 -2.698) 21.553 13.162 ( -8.540 -4.817 -4.603) 10.831 13.969 ( 16.395 9.022 1.785) 18.798 14.408 ( 1.803 15.563 -11.018) 19.154 14.919 ( 3.488 -0.183 10.807) 11.358 15.119 ( -14.288 2.470 6.564) 15.916 15.440 ( 14.755 -10.251 -2.106) 18.090 15.813 ( -0.958 0.252 -2.450) 2.642 16.205 ( -4.726 -8.641 -4.500) 10.828 16.353 ( -4.369 -3.731 5.784) 8.152 17.494 ( -7.615 -4.502 15.053) 17.460 17.569 ( 0.923 -0.352 -4.661) 4.765 18.055 ( 2.311 -3.513 -5.783) 7.150 18.349 ( -7.473 -6.402 -1.457) 9.947 18.840 ( 11.271 -2.320 3.832) 12.128 19.136 ( 15.132 0.158 -9.874) 18.069 19.609 ( -8.594 -6.975 23.470) 25.949 20.083 ( -3.845 -11.550 -17.882) 21.632 23.549 ( 0.039 1.791 27.772) 27.829 24.021 ( 8.868 1.449 -24.280) 25.889 24.250 ( -4.538 -5.231 14.028) 15.644 24.605 ( 1.651 -5.709 -21.093) 21.914 ======================= Grid point 210 (112/125) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -0.742 10.287 7.534) 12.772 1.711 ( -0.194 7.702 -7.803) 10.966 2.130 ( 0.212 -0.322 11.919) 11.925 2.268 ( 0.491 -3.727 -0.268) 3.768 2.332 ( -0.857 3.612 0.754) 3.788 2.428 ( 0.260 4.129 -8.209) 9.192 2.886 ( 0.333 -2.938 7.251) 7.831 3.013 ( -4.625 -3.303 -4.330) 7.145 3.148 ( 3.228 -16.672 2.884) 17.225 3.232 ( 0.028 -14.854 -4.461) 15.509 3.517 ( -6.459 5.190 10.895) 13.688 3.625 ( 2.951 3.065 -0.415) 4.274 3.907 ( -1.385 -0.312 4.402) 4.626 4.008 ( -0.101 4.064 -2.876) 4.979 4.170 ( 0.900 -5.679 3.005) 6.488 4.208 ( -0.696 -6.751 -0.019) 6.787 4.631 ( -4.095 12.673 17.329) 21.855 4.745 ( 2.312 6.876 3.948) 8.259 4.957 ( 3.173 -0.197 9.925) 10.422 5.073 ( -5.415 0.075 -4.751) 7.204 5.326 ( 1.335 6.138 -9.235) 11.169 5.399 ( 2.835 9.456 -13.866) 17.021 5.720 ( 1.376 0.048 3.347) 3.619 5.829 ( -1.468 0.603 -6.115) 6.318 6.484 ( 2.402 2.215 3.156) 4.543 6.499 ( 0.008 1.682 1.052) 1.984 7.115 ( -3.438 -1.036 7.734) 8.527 7.198 ( 2.363 -3.527 -0.260) 4.253 7.844 ( -2.070 2.449 3.358) 4.643 7.948 ( 1.495 0.755 -6.228) 6.450 8.334 ( 1.619 -2.246 4.728) 5.479 8.461 ( -4.119 -0.969 -7.343) 8.475 8.589 ( -2.853 9.084 6.120) 11.319 8.702 ( 5.262 10.098 -4.571) 12.270 9.050 ( 1.440 -3.155 12.557) 13.027 9.227 ( -6.001 -3.806 -6.294) 9.493 9.412 ( -1.795 -1.675 2.657) 3.618 9.496 ( 6.886 -1.082 -5.155) 8.670 9.796 ( -1.319 3.633 4.071) 5.614 9.890 ( -1.242 -1.195 -5.630) 5.888 10.282 ( -0.554 7.106 10.054) 12.324 10.419 ( -1.079 4.778 -4.155) 6.423 11.336 ( 10.381 8.566 8.646) 15.997 11.465 ( -2.346 6.067 -3.552) 7.412 11.626 ( 8.083 2.984 6.563) 10.831 11.737 ( -3.130 -1.944 -0.058) 3.685 11.888 ( -12.955 6.617 -3.184) 14.891 11.992 ( -2.021 2.754 -9.907) 10.479 12.520 ( 9.417 1.407 7.549) 12.151 12.643 ( -9.433 0.543 -5.069) 10.722 12.868 ( 6.611 -4.070 6.303) 10.000 12.961 ( -5.614 -4.023 -3.120) 7.579 14.497 ( 8.329 11.584 5.188) 15.181 14.590 ( -13.032 10.514 -3.847) 17.181 14.961 ( -0.525 -0.908 4.991) 5.100 15.030 ( 9.370 0.056 -2.744) 9.764 15.562 ( -7.478 -5.159 2.629) 9.457 15.625 ( 5.770 -4.557 -4.017) 8.378 15.980 ( -15.464 -10.268 2.795) 18.771 16.047 ( 14.099 -11.826 -4.241) 18.884 17.412 ( -4.381 1.739 17.183) 17.818 17.560 ( 0.340 -1.480 4.026) 4.303 18.056 ( -4.843 -2.678 -2.128) 5.929 18.102 ( 3.498 -3.430 -7.267) 8.764 18.995 ( 0.296 1.864 10.181) 10.355 19.218 ( -2.788 1.730 -12.020) 12.460 19.450 ( 0.254 -7.233 15.444) 17.056 19.806 ( 7.584 -11.459 -20.739) 24.879 23.643 ( -4.725 3.974 23.599) 24.393 24.030 ( -2.035 -3.867 3.953) 5.892 24.171 ( 4.226 -1.472 -13.316) 14.047 24.454 ( 3.944 -6.582 -22.058) 23.355 ======================= Grid point 211 (113/125) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 6.045 3.873 7.780) 10.586 1.767 ( 8.138 9.899 -6.099) 14.191 2.177 ( 1.400 -1.143 9.139) 9.316 2.259 ( -0.502 -5.477 -4.203) 6.922 2.364 ( 3.793 4.572 2.178) 6.327 2.441 ( 3.109 4.996 -4.694) 7.528 2.815 ( -8.851 -4.239 3.938) 10.574 2.909 ( -4.612 1.149 1.953) 5.139 3.151 ( -0.211 -16.249 -0.515) 16.258 3.300 ( 1.477 -10.584 -2.086) 10.889 3.476 ( 1.760 3.273 10.536) 11.172 3.715 ( 3.307 2.710 4.243) 6.023 3.912 ( 1.814 -3.358 0.771) 3.894 3.964 ( -2.829 0.420 4.502) 5.334 4.186 ( 4.460 -3.989 -3.073) 6.726 4.356 ( 7.767 -0.748 3.915) 8.730 4.605 ( -3.925 12.452 14.576) 19.569 4.825 ( 5.232 5.766 3.646) 8.597 4.982 ( -1.583 -0.529 -5.631) 5.873 5.078 ( 5.396 -1.431 9.524) 11.040 5.361 ( 5.232 8.220 -8.588) 12.988 5.415 ( 3.160 8.780 -12.618) 15.694 5.723 ( -2.387 -1.714 3.441) 4.525 5.765 ( -2.449 1.895 -6.479) 7.181 6.555 ( 5.958 1.394 -2.381) 6.566 6.574 ( 5.583 1.943 1.083) 6.010 7.122 ( 1.664 -1.526 6.724) 7.093 7.265 ( 4.159 -2.867 0.900) 5.131 7.783 ( -5.744 2.774 5.001) 8.105 7.912 ( -3.449 0.488 -5.514) 6.522 8.283 ( -10.415 3.306 -2.037) 11.115 8.369 ( -0.425 -3.718 4.686) 5.997 8.520 ( -3.827 5.198 1.028) 6.536 8.828 ( 6.290 9.038 -3.936) 11.693 9.073 ( -5.776 -2.789 0.786) 6.462 9.101 ( -1.300 -2.676 7.472) 8.042 9.435 ( 3.764 -0.549 -2.376) 4.485 9.625 ( 7.851 -1.054 -4.772) 9.248 9.734 ( -4.669 3.449 2.838) 6.461 9.872 ( -1.502 -0.448 0.357) 1.608 10.304 ( -0.464 5.368 9.430) 10.861 10.383 ( -1.634 6.133 -2.856) 6.960 11.166 ( -17.432 12.117 -9.713) 23.346 11.486 ( -10.787 1.153 -11.356) 15.705 11.556 ( 1.910 9.753 6.969) 12.138 11.775 ( 3.816 0.780 12.554) 13.144 11.862 ( 0.903 -1.484 -4.573) 4.892 11.990 ( 2.820 0.965 8.297) 8.816 12.488 ( -5.839 2.447 -2.907) 6.966 12.746 ( -1.322 -5.564 -3.293) 6.599 12.875 ( 12.242 0.004 4.900) 13.187 13.062 ( 10.339 -1.555 3.842) 11.139 14.231 ( -20.067 9.618 -5.363) 22.890 14.454 ( -10.216 8.653 9.957) 16.685 15.012 ( -3.773 -6.066 -3.352) 7.891 15.117 ( -8.663 -14.099 -2.205) 16.694 15.394 ( 6.183 6.867 -3.405) 9.848 15.754 ( -0.268 1.979 4.068) 4.531 15.919 ( 13.458 -8.866 2.539) 16.314 16.315 ( 12.715 -9.471 -4.194) 16.400 17.379 ( -5.185 2.865 17.882) 18.838 17.599 ( 2.343 -3.472 3.671) 5.569 17.937 ( -3.751 0.258 -0.102) 3.761 18.219 ( 7.173 -7.754 -3.265) 11.056 18.870 ( -12.482 2.932 3.633) 13.326 19.049 ( -12.383 1.262 -2.654) 12.727 19.550 ( 5.883 -5.891 7.712) 11.348 19.942 ( 11.801 -12.525 -23.547) 29.165 23.603 ( -7.519 4.944 23.499) 25.163 24.009 ( -1.016 -2.633 -0.178) 2.828 24.191 ( 2.085 -2.831 -9.363) 10.002 24.474 ( 5.820 -6.644 -21.778) 23.501 ======================= Grid point 212 (114/125) ======================= q-point: ( 0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 4.788 -2.814 6.899) 8.856 1.921 ( 8.172 6.889 -3.495) 11.245 2.210 ( -0.150 -1.678 -3.112) 3.539 2.255 ( -0.276 -7.423 2.092) 7.717 2.452 ( 4.645 0.710 -2.621) 5.380 2.519 ( 5.685 6.685 2.403) 9.098 2.690 ( -3.949 -1.512 2.832) 5.089 2.833 ( -3.911 9.284 3.646) 10.714 3.169 ( 0.782 -5.389 5.093) 7.456 3.264 ( -0.426 -11.258 -1.434) 11.357 3.634 ( 7.299 -1.489 7.952) 10.896 3.743 ( -0.916 6.364 2.260) 6.815 3.879 ( -2.370 -1.190 7.771) 8.211 4.075 ( 7.701 -7.316 4.265) 11.446 4.216 ( -0.416 -4.032 -0.674) 4.109 4.454 ( -0.745 3.991 3.565) 5.403 4.632 ( 3.270 10.471 13.495) 17.391 4.927 ( 3.595 9.460 -4.513) 11.081 5.022 ( 7.987 -2.720 -1.746) 8.616 5.181 ( 1.473 -3.690 7.667) 8.635 5.427 ( 5.541 9.625 -15.547) 19.106 5.439 ( 2.088 6.058 -1.616) 6.608 5.671 ( -3.586 -0.719 0.981) 3.786 5.695 ( -2.492 2.326 -7.741) 8.458 6.682 ( 5.577 0.643 0.224) 5.619 6.689 ( 8.659 0.076 -4.028) 9.550 7.209 ( 4.244 -0.367 5.926) 7.299 7.337 ( 1.621 -1.847 4.338) 4.986 7.672 ( -6.591 0.836 2.466) 7.086 7.773 ( -9.122 -0.446 -4.119) 10.019 8.121 ( -5.312 6.649 3.512) 9.206 8.354 ( -2.588 1.134 0.170) 2.831 8.484 ( 0.292 0.371 3.929) 3.957 8.863 ( -1.027 5.344 -3.535) 6.490 9.012 ( 1.878 5.672 -6.921) 9.143 9.111 ( -2.063 -4.971 8.483) 10.047 9.524 ( 6.176 -1.959 -1.529) 6.657 9.687 ( -0.988 4.551 4.233) 6.293 9.732 ( 3.900 -3.791 -5.526) 7.754 9.811 ( -4.813 5.843 5.677) 9.462 10.304 ( -3.910 8.554 -0.000) 9.406 10.374 ( 2.997 1.440 7.775) 8.456 10.817 ( -13.473 12.373 -12.980) 22.430 11.242 ( -11.072 -0.832 -11.976) 16.331 11.587 ( -1.400 8.406 10.207) 13.297 11.822 ( -0.446 2.081 -4.463) 4.945 11.932 ( 7.086 0.198 6.307) 9.488 12.026 ( -3.334 -4.625 12.308) 13.565 12.392 ( -4.484 0.850 0.185) 4.567 12.556 ( -10.779 -5.318 -6.402) 13.618 13.271 ( 18.874 -0.950 6.271) 19.912 13.321 ( 17.545 1.368 2.362) 17.756 13.877 ( -13.833 6.731 -5.193) 16.237 14.276 ( -11.402 2.747 5.729) 13.052 14.754 ( -21.862 -13.849 3.007) 26.053 14.820 ( -13.343 -14.250 -8.081) 21.128 15.617 ( 14.291 7.521 -0.574) 16.159 15.944 ( 14.387 9.309 3.158) 17.425 16.169 ( 10.331 -7.435 3.549) 13.214 16.440 ( 2.166 -3.230 -6.724) 7.768 17.354 ( -3.563 3.146 19.935) 20.494 17.673 ( 4.415 -7.215 1.932) 8.676 17.930 ( 1.460 0.807 4.888) 5.165 18.303 ( 2.139 -9.710 -4.300) 10.833 18.644 ( -11.390 3.302 1.621) 11.969 18.784 ( -12.629 1.989 -3.874) 13.359 19.673 ( 3.327 -6.203 8.753) 11.232 20.046 ( 7.969 -13.187 -25.249) 29.579 23.538 ( -7.340 7.075 23.762) 25.857 23.986 ( 0.372 0.317 -9.844) 9.856 24.196 ( 0.161 -4.808 -0.006) 4.811 24.512 ( 5.729 -7.261 -21.718) 23.605 ======================= Grid point 213 (115/125) ======================= q-point: ( 0.43 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 3.713 -8.027 7.878) 11.844 2.013 ( 2.373 2.527 -0.025) 3.467 2.185 ( -0.554 -2.629 -4.875) 5.567 2.190 ( -5.944 -10.669 -1.073) 12.260 2.538 ( 4.652 0.593 -0.382) 4.705 2.614 ( 0.437 6.659 0.299) 6.680 2.675 ( 4.017 3.662 -0.178) 5.438 2.782 ( -4.003 12.490 3.141) 13.487 3.241 ( 7.795 5.592 2.020) 9.803 3.312 ( 0.205 -11.659 7.532) 13.882 3.664 ( -1.374 5.138 -1.862) 5.635 3.702 ( -6.181 -3.248 6.025) 9.223 3.983 ( 7.535 -0.680 11.707) 13.939 4.180 ( -0.887 -4.201 10.679) 11.510 4.233 ( 3.935 -9.183 -1.790) 10.150 4.385 ( -5.273 4.660 -1.388) 7.172 4.739 ( 1.005 10.474 14.203) 17.676 4.970 ( 2.625 8.431 -5.463) 10.383 5.122 ( -2.727 -0.987 7.596) 8.131 5.226 ( 6.488 -4.157 -5.122) 9.253 5.418 ( -2.969 6.039 1.211) 6.837 5.523 ( 7.635 6.605 -12.532) 16.093 5.587 ( -5.108 0.792 -0.238) 5.174 5.630 ( -0.520 5.262 -10.284) 11.564 6.771 ( 2.464 -0.499 2.004) 3.215 6.815 ( 4.116 -0.884 -2.745) 5.026 7.275 ( 0.658 -0.649 5.423) 5.501 7.331 ( -2.952 -2.615 6.850) 7.904 7.585 ( -5.030 0.168 -0.178) 5.036 7.623 ( -1.324 0.555 -4.742) 4.954 8.108 ( 0.920 8.177 8.819) 12.061 8.292 ( -2.463 4.603 -3.325) 6.189 8.563 ( 5.540 -0.318 5.454) 7.781 8.810 ( -2.620 6.610 -6.359) 9.539 9.035 ( -3.501 -0.682 1.911) 4.046 9.082 ( 3.010 3.457 -6.326) 7.812 9.626 ( -2.502 3.728 5.510) 7.108 9.659 ( -1.329 -3.262 10.940) 11.493 9.747 ( 5.639 1.295 -6.608) 8.783 9.827 ( 2.744 4.688 -2.653) 6.045 10.211 ( -4.674 12.933 6.774) 15.330 10.501 ( 4.439 3.808 -2.698) 6.441 10.609 ( -2.459 4.303 -4.595) 6.758 10.977 ( -11.993 -4.766 -12.283) 17.816 11.605 ( 0.199 5.499 10.607) 11.949 11.794 ( -1.221 1.785 -4.644) 5.123 11.989 ( -0.664 -4.600 9.655) 10.715 12.113 ( 7.317 1.165 7.451) 10.508 12.281 ( -6.424 -2.972 -3.508) 7.899 12.380 ( -5.094 -2.505 -5.246) 7.730 13.531 ( 5.306 3.861 7.867) 10.245 13.671 ( 10.009 3.735 -2.503) 10.973 13.746 ( 7.272 -0.080 1.618) 7.450 14.051 ( -13.236 -6.048 -2.997) 14.858 14.414 ( -12.708 -11.820 7.427) 18.878 14.580 ( -7.327 -13.655 -8.374) 17.614 15.889 ( 13.109 6.945 4.534) 15.513 16.159 ( 2.802 6.959 -2.149) 7.804 16.284 ( 2.000 -0.600 2.416) 3.194 16.403 ( -1.147 0.344 -6.272) 6.385 17.396 ( 0.023 0.233 23.301) 23.302 17.750 ( 1.608 -10.285 0.729) 10.435 17.993 ( 3.435 -0.558 3.795) 5.149 18.256 ( -3.238 -7.894 -8.747) 12.220 18.481 ( -7.308 3.278 7.917) 11.262 18.624 ( -1.344 2.517 -8.821) 9.271 19.719 ( -2.141 -6.717 12.181) 14.074 20.079 ( 4.786 -13.664 -25.270) 29.124 23.500 ( -5.117 8.641 24.128) 26.134 23.964 ( 2.440 3.204 -17.405) 17.864 24.196 ( -1.480 -6.478 7.328) 9.892 24.536 ( 4.477 -7.797 -21.865) 23.642 ======================= Grid point 214 (116/125) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -3.994 -5.070 6.818) 9.389 2.037 ( -0.888 -0.959 -2.785) 3.077 2.079 ( -4.346 -5.790 2.943) 7.815 2.189 ( 3.063 -3.943 -0.290) 5.002 2.528 ( -4.457 3.337 -0.235) 5.573 2.598 ( -3.293 4.243 2.794) 6.054 2.714 ( 3.808 1.275 -4.631) 6.130 2.851 ( 8.037 7.141 -3.832) 11.414 3.224 ( -8.758 3.194 3.872) 10.094 3.406 ( 4.923 -1.525 -0.559) 5.184 3.554 ( -7.753 0.562 8.972) 11.871 3.730 ( 5.163 -2.221 2.399) 6.111 4.086 ( -1.584 -0.007 9.245) 9.380 4.148 ( -8.050 -4.273 11.539) 14.704 4.229 ( -1.546 -0.540 -9.477) 9.617 4.373 ( 5.070 -2.884 1.732) 6.085 4.745 ( -5.817 10.014 17.241) 20.770 4.943 ( -4.417 4.215 -1.441) 6.273 5.056 ( -4.863 0.697 1.450) 5.122 5.319 ( 2.034 -1.412 -0.279) 2.492 5.341 ( -4.222 4.604 1.441) 6.411 5.527 ( 1.001 1.865 -3.347) 3.960 5.550 ( 0.662 7.383 -11.897) 14.017 5.678 ( 7.048 4.955 -7.143) 11.191 6.743 ( -6.535 -1.075 4.141) 7.811 6.780 ( -6.412 -2.070 1.263) 6.855 7.311 ( -2.018 -0.323 4.281) 4.744 7.330 ( 2.286 -0.280 4.675) 5.211 7.553 ( 3.182 -1.184 0.443) 3.424 7.622 ( 2.453 -1.487 -3.011) 4.159 8.193 ( 4.413 8.873 7.973) 12.719 8.259 ( 0.748 5.548 -6.279) 8.412 8.659 ( -0.620 4.229 0.953) 4.379 8.746 ( 1.446 3.871 -6.158) 7.416 8.922 ( -6.553 5.865 5.405) 10.322 9.179 ( 7.634 0.295 -8.083) 11.122 9.533 ( -5.727 1.266 8.556) 10.373 9.644 ( -6.844 -2.635 6.723) 9.949 9.842 ( 4.579 0.861 -4.586) 6.537 9.897 ( 6.529 2.503 -8.303) 10.855 10.246 ( 4.674 15.297 14.342) 21.483 10.386 ( -6.033 10.941 -11.402) 16.914 10.741 ( -3.497 -4.744 -5.661) 8.172 10.785 ( 8.030 -4.635 2.917) 9.719 11.644 ( -0.143 2.406 7.634) 8.005 11.796 ( 3.958 2.490 -5.059) 6.889 12.042 ( -3.320 -3.346 6.284) 7.855 12.138 ( 2.909 -0.458 5.099) 5.888 12.308 ( 0.210 -4.073 -9.360) 10.210 12.314 ( 6.624 0.788 1.693) 6.882 13.499 ( -8.808 6.305 9.496) 14.405 13.702 ( -3.240 0.939 1.482) 3.685 13.765 ( -13.828 -5.443 -6.883) 16.377 14.046 ( 17.433 -3.605 -1.589) 17.872 14.362 ( 4.100 -11.648 10.930) 16.491 14.593 ( 11.404 -11.225 -7.791) 17.798 15.957 ( -14.898 8.887 -2.032) 17.466 16.125 ( 5.588 4.476 1.553) 7.326 16.298 ( -3.774 1.833 1.199) 4.364 16.369 ( -1.284 -0.002 -3.754) 3.967 17.467 ( -1.989 -3.449 22.750) 23.096 17.689 ( -6.660 -8.181 -1.556) 10.663 18.112 ( 8.587 -2.317 0.917) 8.941 18.205 ( -0.079 -5.166 -10.979) 12.134 18.429 ( 0.332 2.993 9.654) 10.113 18.650 ( 6.247 1.058 -7.480) 9.803 19.683 ( -6.162 -6.192 14.497) 16.925 20.059 ( 1.478 -13.518 -22.289) 26.110 23.510 ( -2.549 8.731 24.245) 25.895 23.967 ( 4.914 4.524 -21.143) 22.174 24.186 ( -2.984 -7.249 11.119) 13.605 24.533 ( 3.101 -7.986 -22.046) 23.652 ======================= Grid point 215 (117/125) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -8.958 4.949 4.721) 11.270 1.932 ( -6.089 -0.814 -6.050) 8.623 2.059 ( -1.330 1.333 9.482) 9.667 2.264 ( 2.042 -4.158 3.431) 5.765 2.443 ( -3.982 0.793 -1.788) 4.437 2.562 ( -0.524 0.979 -1.902) 2.202 2.757 ( -0.883 -3.793 -3.270) 5.085 2.895 ( 2.632 3.098 -4.012) 5.712 3.198 ( 4.733 2.646 1.723) 5.689 3.295 ( -9.060 -15.650 -2.231) 18.220 3.587 ( 1.228 12.705 12.229) 17.677 3.758 ( -4.059 -1.210 -2.625) 4.983 3.997 ( -7.848 -4.251 3.471) 9.576 4.075 ( -1.380 0.226 11.715) 11.798 4.162 ( -3.403 0.325 -7.840) 8.553 4.449 ( -0.212 -4.579 4.156) 6.188 4.674 ( -6.558 9.820 17.779) 21.343 4.827 ( -6.915 5.557 -1.496) 8.996 4.945 ( -6.224 -0.628 5.099) 8.070 5.274 ( -2.673 6.706 -1.761) 7.431 5.334 ( 0.045 -1.789 -1.608) 2.406 5.506 ( -1.064 6.902 -8.829) 11.257 5.590 ( 4.775 3.267 -4.448) 7.298 5.775 ( 5.258 1.626 -4.930) 7.389 6.601 ( -8.694 -0.712 4.498) 9.814 6.648 ( -7.356 -1.452 3.164) 8.138 7.251 ( -5.239 0.395 4.899) 7.183 7.303 ( -5.953 0.947 3.774) 7.112 7.690 ( 8.812 -1.567 1.212) 9.032 7.743 ( 9.871 -4.014 -2.028) 10.847 8.243 ( 1.679 6.817 -7.684) 10.408 8.328 ( 5.649 7.808 5.405) 11.050 8.586 ( -2.068 3.640 -8.272) 9.271 8.794 ( 1.014 5.169 2.243) 5.726 8.869 ( -0.817 7.587 7.430) 10.651 9.285 ( 6.197 -3.856 -8.511) 11.212 9.464 ( -4.474 -0.943 3.178) 5.568 9.537 ( -5.796 -2.429 8.930) 10.920 9.836 ( -2.718 -1.665 -5.049) 5.970 9.958 ( 2.115 2.379 -4.774) 5.738 10.284 ( -2.697 9.862 0.613) 10.243 10.433 ( 7.060 9.308 2.341) 11.915 10.685 ( 6.546 4.636 -2.085) 8.289 11.032 ( 11.936 -4.088 8.637) 15.290 11.671 ( 0.471 2.034 5.389) 5.779 11.824 ( -0.836 9.195 -8.960) 12.866 11.957 ( -1.130 -1.365 3.483) 3.908 12.282 ( -0.588 0.112 -9.441) 9.460 12.362 ( 10.907 -7.145 4.786) 13.889 12.417 ( 5.586 -0.170 3.176) 6.427 13.312 ( -12.146 2.891 2.802) 12.796 13.378 ( -21.860 -4.126 -3.396) 22.504 13.775 ( 9.985 3.032 4.578) 11.395 14.379 ( 18.037 0.404 -4.901) 18.695 14.603 ( 14.701 -12.800 12.105) 22.945 14.851 ( 16.248 -9.148 -4.871) 19.272 15.618 ( -18.659 11.140 -0.853) 21.748 16.035 ( -10.747 5.167 -5.914) 13.310 16.241 ( -9.690 -5.719 -4.281) 12.039 16.313 ( -0.762 -1.982 6.657) 6.987 17.466 ( -5.136 -3.878 18.690) 19.767 17.579 ( -3.248 -3.223 -0.159) 4.578 18.107 ( -4.374 0.862 -8.742) 9.813 18.265 ( 4.049 -5.247 -2.424) 7.057 18.577 ( 10.900 0.226 5.218) 12.086 18.818 ( 14.222 -1.313 -3.202) 14.637 19.597 ( -7.969 -4.700 14.067) 16.837 19.980 ( -2.692 -12.383 -17.622) 21.706 23.561 ( -1.042 7.311 24.064) 25.171 24.005 ( 6.467 3.632 -21.170) 22.432 24.159 ( -3.759 -6.828 11.457) 13.857 24.507 ( 2.204 -7.768 -22.169) 23.593 ======================= Grid point 216 (118/125) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -9.387 12.128 5.845) 16.413 1.803 ( -5.418 2.587 -7.137) 9.326 2.084 ( 0.073 1.940 11.660) 11.820 2.271 ( -1.114 -2.718 1.726) 3.407 2.371 ( -2.892 0.537 -1.635) 3.366 2.489 ( -3.936 3.924 -6.645) 8.663 2.799 ( 5.211 -4.670 4.216) 8.169 2.987 ( 6.959 -6.305 -6.120) 11.209 3.151 ( -5.014 -11.958 0.957) 13.001 3.276 ( 0.251 -9.803 0.608) 9.825 3.583 ( -5.388 5.530 10.463) 13.003 3.654 ( -3.430 6.168 -2.988) 7.664 3.908 ( -2.025 -0.061 2.866) 3.510 4.054 ( -4.010 -1.483 -0.554) 4.311 4.110 ( 0.494 -0.237 2.233) 2.299 4.365 ( -9.185 -7.988 3.119) 12.566 4.641 ( -3.573 9.719 17.263) 20.130 4.727 ( -2.483 8.865 2.140) 9.452 4.903 ( -0.758 -0.279 7.912) 7.954 5.192 ( -5.146 2.795 -3.651) 6.901 5.334 ( 1.818 2.850 -9.396) 9.986 5.436 ( -2.444 8.048 -9.348) 12.575 5.663 ( 3.737 2.330 -0.330) 4.416 5.838 ( 2.654 -0.393 -4.791) 5.491 6.487 ( -4.270 1.210 4.414) 6.259 6.541 ( -4.898 0.527 3.474) 6.028 7.181 ( -4.535 -0.564 6.374) 7.843 7.199 ( -4.086 -1.547 1.594) 4.651 7.823 ( 3.792 0.468 2.148) 4.383 7.895 ( 6.310 -1.746 -4.377) 7.875 8.274 ( 3.467 2.622 -1.609) 4.635 8.453 ( 6.046 6.683 0.100) 9.013 8.552 ( 0.794 3.164 -5.025) 5.991 8.754 ( -5.078 9.864 2.193) 11.309 8.950 ( 4.617 0.343 9.133) 10.240 9.322 ( -0.743 -4.411 -9.294) 10.314 9.417 ( 1.649 -0.124 -1.588) 2.293 9.473 ( -5.244 -5.610 8.894) 11.751 9.785 ( 0.033 1.912 -2.802) 3.392 9.946 ( -1.721 0.560 -3.506) 3.946 10.265 ( -1.183 8.437 7.924) 11.635 10.454 ( -0.756 3.039 -5.398) 6.241 10.993 ( 19.744 11.529 7.051) 23.927 11.284 ( 12.162 -1.046 8.509) 14.880 11.657 ( -4.068 3.818 -0.237) 5.584 11.758 ( -1.906 4.046 0.514) 4.502 12.005 ( 3.370 3.294 -7.406) 8.778 12.169 ( -8.654 3.261 -8.525) 12.578 12.413 ( 0.609 1.221 3.765) 4.005 12.655 ( 11.104 -8.198 5.382) 14.814 12.954 ( -19.499 -0.983 -3.406) 19.819 13.111 ( -9.296 -1.541 -0.970) 9.473 14.121 ( 22.554 6.910 6.062) 24.355 14.640 ( 10.277 6.786 -9.088) 15.306 14.876 ( 8.010 -5.348 9.526) 13.547 15.069 ( -0.893 -7.226 3.043) 7.891 15.373 ( 1.626 5.592 -0.904) 5.893 15.839 ( -6.905 2.342 -4.446) 8.540 15.995 ( -10.968 -11.168 -5.638) 16.637 16.233 ( -10.313 -7.927 4.481) 13.757 17.432 ( -4.324 -0.864 17.094) 17.654 17.555 ( -0.725 -1.184 2.588) 2.937 18.033 ( 0.539 0.967 -7.253) 7.337 18.228 ( -5.544 -5.256 -5.395) 9.352 18.822 ( 12.071 0.753 5.405) 13.248 19.118 ( 15.678 -2.896 -3.182) 16.258 19.482 ( -8.209 -3.834 11.381) 14.547 19.853 ( -4.002 -11.007 -14.733) 18.821 23.620 ( -1.649 5.190 23.802) 24.417 24.046 ( 2.253 -0.976 -8.976) 9.306 24.139 ( 0.535 -3.352 -0.421) 3.421 24.472 ( 2.291 -7.189 -22.216) 23.462 ======================= Grid point 217 (119/125) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -2.178 11.445 4.634) 12.538 1.888 ( 1.178 8.189 -5.379) 9.868 2.037 ( -0.809 -6.228 6.148) 8.789 2.135 ( -0.563 -9.011 -3.657) 9.741 2.437 ( 0.716 3.724 1.582) 4.109 2.467 ( 0.042 0.036 -1.532) 1.533 2.850 ( 2.543 -1.207 6.786) 7.347 2.886 ( -0.478 -6.479 6.425) 9.137 2.990 ( -0.191 1.091 -5.995) 6.096 3.046 ( -0.526 -4.160 -7.850) 8.900 3.592 ( -3.451 0.228 4.845) 5.953 3.605 ( -0.333 -2.774 2.251) 3.588 3.892 ( -7.436 2.679 12.764) 15.013 4.003 ( -10.594 -6.694 12.604) 17.773 4.124 ( 7.823 4.088 -9.287) 12.813 4.171 ( 7.857 -0.627 -5.315) 9.506 4.784 ( -0.189 4.645 9.575) 10.644 4.875 ( -2.494 -1.478 2.231) 3.659 4.943 ( 1.927 4.474 6.829) 8.389 5.039 ( -3.652 -3.262 -2.124) 5.338 5.501 ( 1.063 10.080 -2.679) 10.484 5.614 ( 3.096 9.261 -12.344) 15.740 5.675 ( -0.831 -4.074 3.036) 5.148 5.786 ( 0.580 -5.119 -7.384) 9.004 6.514 ( 1.936 0.898 3.798) 4.357 6.520 ( 0.531 0.347 2.942) 3.010 7.104 ( -2.617 0.132 5.171) 5.797 7.132 ( 0.567 -2.634 2.620) 3.759 7.893 ( -0.168 2.348 2.281) 3.277 7.937 ( 1.474 -1.709 -1.231) 2.571 8.331 ( -1.009 2.236 -0.498) 2.503 8.401 ( -2.544 -3.933 -7.198) 8.588 8.763 ( -3.749 7.140 7.444) 10.975 8.841 ( 0.821 1.388 1.774) 2.398 9.022 ( 0.037 2.429 3.079) 3.921 9.131 ( -2.283 -5.922 -5.818) 8.610 9.394 ( 1.996 0.304 0.459) 2.070 9.431 ( 4.729 -3.377 -2.982) 6.532 9.864 ( -0.588 2.704 2.140) 3.499 9.892 ( -1.876 -0.053 -0.803) 2.041 10.414 ( -0.629 5.305 6.761) 8.617 10.471 ( -0.305 0.013 0.853) 0.906 11.480 ( 8.936 5.243 7.098) 12.559 11.534 ( 7.553 0.251 2.627) 8.001 11.682 ( -0.110 2.148 1.928) 2.888 11.711 ( -3.330 -0.946 -0.125) 3.464 11.993 ( -12.261 3.810 -5.508) 13.971 12.032 ( -5.263 0.237 -8.639) 10.118 12.576 ( 9.035 3.860 4.742) 10.909 12.644 ( 0.471 -1.636 -2.045) 2.661 12.814 ( 0.925 0.154 4.472) 4.569 12.875 ( -6.248 -4.442 -1.570) 7.825 14.661 ( 8.738 4.553 4.521) 10.841 14.698 ( -5.602 0.883 1.293) 5.817 14.983 ( -5.455 2.960 3.434) 7.093 15.033 ( 2.589 -0.808 -1.699) 3.201 15.489 ( -1.577 -0.848 -0.259) 1.809 15.534 ( 3.365 -4.235 -4.721) 7.179 15.832 ( -7.828 -3.453 0.688) 8.583 15.856 ( 6.413 -5.866 -1.962) 8.910 17.468 ( -2.983 3.272 15.736) 16.347 17.526 ( -1.497 -2.236 10.730) 11.062 18.030 ( -2.676 -0.039 -4.726) 5.431 18.049 ( 0.043 -1.821 -6.912) 7.148 19.066 ( 0.818 5.039 10.708) 11.862 19.185 ( -0.668 -5.725 7.025) 9.087 19.418 ( 2.138 5.150 -9.465) 10.985 19.584 ( 4.882 -10.181 -18.052) 21.293 23.753 ( -4.284 6.732 20.480) 21.979 23.903 ( -3.881 -7.586 17.288) 19.274 24.208 ( 5.076 4.238 -24.093) 24.984 24.320 ( 4.498 -6.394 -23.391) 24.663 ======================= Grid point 218 (120/125) ======================= q-point: ( 0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 1.123 10.959 4.796) 12.015 1.955 ( 6.491 7.854 -3.480) 10.767 2.056 ( 0.072 -9.761 5.971) 11.443 2.127 ( 1.127 -7.220 -1.888) 7.547 2.450 ( 1.523 3.549 -1.298) 4.074 2.496 ( 2.820 -0.126 -0.845) 2.947 2.774 ( -6.616 0.699 0.796) 6.700 2.870 ( -2.087 -9.448 0.136) 9.677 2.999 ( 3.242 7.343 -0.780) 8.065 3.139 ( 7.203 -6.140 -1.366) 9.562 3.589 ( 1.174 4.621 8.781) 9.992 3.675 ( 5.339 -5.242 5.643) 9.372 3.821 ( -4.002 -0.726 9.780) 10.592 3.891 ( -5.810 -5.268 13.263) 15.408 4.264 ( 8.651 6.654 -10.370) 15.055 4.345 ( 10.555 -1.360 -3.199) 11.113 4.779 ( -3.318 4.417 10.284) 11.674 4.841 ( 0.964 -1.998 0.967) 2.420 5.018 ( 1.927 1.902 -2.127) 3.443 5.040 ( 3.956 -1.206 8.547) 9.495 5.523 ( 1.778 7.800 -0.777) 8.037 5.618 ( 1.541 9.749 -11.671) 15.284 5.658 ( -1.838 -4.957 2.412) 5.811 5.757 ( -0.394 -3.434 -9.317) 9.938 6.575 ( 4.807 0.812 -0.956) 4.968 6.589 ( 4.727 -0.297 0.496) 4.762 7.126 ( 2.943 2.048 5.836) 6.849 7.193 ( 4.227 -3.968 3.962) 7.022 7.842 ( -5.746 3.008 1.003) 6.563 7.896 ( -4.868 -1.994 -3.413) 6.271 8.307 ( -3.889 -0.176 -0.061) 3.893 8.313 ( -2.773 -1.068 3.327) 4.461 8.664 ( -6.659 8.360 4.689) 11.672 8.832 ( -3.946 -7.192 5.549) 9.904 9.073 ( 4.133 2.992 0.593) 5.136 9.100 ( -0.008 0.286 -1.133) 1.169 9.442 ( 3.705 1.768 -4.267) 5.921 9.522 ( 6.209 -5.920 -7.259) 11.238 9.824 ( -2.898 4.168 2.331) 5.585 9.876 ( -1.011 -0.747 2.942) 3.199 10.417 ( -1.426 4.792 6.093) 7.882 10.460 ( -1.245 0.974 0.758) 1.753 11.377 ( -13.998 7.826 -10.039) 18.920 11.472 ( -10.489 -2.118 -11.546) 15.743 11.736 ( 3.511 6.594 1.350) 7.592 11.789 ( 3.930 0.389 4.369) 5.890 11.855 ( -1.021 1.332 9.757) 9.900 11.946 ( -3.500 -5.182 9.184) 11.111 12.549 ( -5.947 3.737 -4.350) 8.262 12.637 ( -5.535 -4.893 -5.211) 9.041 12.927 ( 15.036 4.327 4.832) 16.375 13.013 ( 13.693 -3.534 4.429) 14.819 14.422 ( -19.332 10.171 -6.017) 22.658 14.584 ( -13.731 0.552 4.771) 14.546 14.813 ( -14.593 -7.054 -1.407) 16.270 14.889 ( -15.458 -8.528 5.361) 18.450 15.554 ( 10.913 8.777 -2.374) 14.204 15.738 ( 13.156 -9.118 -0.647) 16.020 15.883 ( 12.180 9.520 1.597) 15.541 16.100 ( 15.505 -11.265 -2.084) 19.278 17.453 ( -3.923 4.171 15.470) 16.496 17.533 ( -1.487 -3.524 10.345) 11.029 17.976 ( -0.890 3.495 -0.924) 3.723 18.075 ( 2.996 -6.200 -2.273) 7.251 18.955 ( -11.801 4.971 3.009) 13.154 19.042 ( -12.459 -2.689 0.524) 12.757 19.521 ( 8.259 3.921 -5.658) 10.752 19.690 ( 9.803 -11.508 -17.312) 22.983 23.733 ( -5.122 7.593 20.671) 22.609 23.894 ( -3.146 -7.797 16.888) 18.866 24.214 ( 4.103 4.366 -23.428) 24.182 24.334 ( 5.202 -6.868 -23.168) 24.718 ======================= Grid point 219 (121/125) ======================= q-point: ( 0.29 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -0.615 7.399 4.133) 8.497 2.040 ( -2.943 -11.648 1.799) 12.148 2.045 ( 2.812 5.056 -2.727) 6.396 2.148 ( -0.478 -4.685 0.021) 4.709 2.500 ( 4.595 4.038 -1.637) 6.332 2.572 ( 5.830 -1.397 -0.530) 6.018 2.716 ( 0.606 4.098 -0.898) 4.239 2.864 ( 1.919 -10.510 -1.940) 10.859 3.092 ( 5.780 9.927 6.159) 13.034 3.240 ( 3.464 -2.257 1.674) 4.461 3.682 ( 3.170 5.550 11.246) 12.936 3.779 ( -0.412 -2.732 13.704) 13.980 3.810 ( 2.087 -2.311 4.953) 5.851 3.900 ( 3.700 -8.045 8.301) 12.138 4.293 ( -2.458 8.911 -6.808) 11.481 4.451 ( -0.151 -4.813 -4.354) 6.493 4.817 ( 4.883 7.617 9.628) 13.212 4.950 ( 9.192 -5.219 -1.239) 10.642 5.067 ( 3.735 4.122 -1.828) 5.855 5.116 ( 0.583 -1.827 8.237) 8.458 5.542 ( -0.825 4.264 2.979) 5.266 5.601 ( -1.444 3.028 0.542) 3.398 5.635 ( 1.496 1.889 -9.894) 10.183 5.720 ( 0.646 -1.582 -12.797) 12.911 6.684 ( 6.667 -0.238 -3.007) 7.318 6.685 ( 6.126 -0.217 -2.183) 6.507 7.225 ( 3.817 2.035 6.543) 7.844 7.282 ( 1.966 -3.201 6.230) 7.275 7.703 ( -7.341 2.106 -2.710) 8.103 7.747 ( -8.265 -2.004 -4.939) 9.835 8.239 ( -2.354 4.603 6.041) 7.951 8.315 ( 0.004 -3.304 6.608) 7.388 8.577 ( -3.834 8.088 5.276) 10.389 8.774 ( -3.284 -10.079 4.553) 11.536 9.103 ( 0.693 4.478 -0.353) 4.545 9.148 ( 3.049 1.884 -0.463) 3.614 9.503 ( 4.279 1.502 -4.107) 6.119 9.598 ( 4.017 -6.681 -6.934) 10.433 9.807 ( 0.331 5.302 2.390) 5.825 9.873 ( 0.085 -0.527 2.009) 2.079 10.414 ( -0.573 2.972 6.629) 7.287 10.430 ( -2.346 2.132 2.683) 4.153 11.047 ( -14.842 9.597 -13.189) 22.053 11.189 ( -13.740 -4.495 -14.589) 20.539 11.736 ( -3.999 6.599 7.091) 10.480 11.872 ( -6.182 -3.708 6.894) 9.974 11.894 ( 5.882 0.859 1.434) 6.115 11.948 ( 4.632 -2.159 9.088) 10.426 12.419 ( -6.954 2.456 -1.274) 7.484 12.479 ( -8.151 -3.127 -3.200) 9.298 13.293 ( 19.615 2.647 4.418) 20.280 13.336 ( 18.668 -0.718 3.326) 18.975 14.035 ( -16.782 9.765 -8.528) 21.207 14.264 ( -19.308 -8.878 -4.119) 21.647 14.499 ( -16.256 -2.104 3.554) 16.773 14.608 ( -16.005 -8.674 5.688) 19.072 15.794 ( 13.403 9.619 2.480) 16.683 15.992 ( 12.493 -9.537 3.734) 16.155 16.148 ( 13.249 10.009 -1.375) 16.661 16.330 ( 8.958 -7.526 -4.896) 12.683 17.434 ( -3.399 4.807 15.431) 16.516 17.544 ( -0.748 -5.856 8.955) 10.726 17.985 ( 0.980 4.663 2.404) 5.337 18.117 ( 1.277 -8.236 -1.183) 8.418 18.732 ( -10.982 4.718 -0.046) 11.952 18.799 ( -11.324 -1.193 -2.718) 11.707 19.628 ( 4.411 2.755 -3.796) 6.438 19.784 ( 6.112 -11.604 -17.118) 21.565 23.708 ( -4.753 9.370 20.824) 23.324 23.897 ( -2.477 -8.451 15.876) 18.155 24.207 ( 3.390 5.413 -22.243) 23.142 24.353 ( 4.952 -8.109 -23.043) 24.925 ======================= Grid point 220 (122/125) ======================= q-point: ( 0.43 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -0.230 2.636 5.478) 6.083 1.968 ( -4.243 -9.545 -0.471) 10.456 2.056 ( 0.094 1.679 -0.977) 1.945 2.114 ( -1.268 -3.748 -3.283) 5.142 2.601 ( 5.162 5.352 0.871) 7.486 2.697 ( 4.157 -1.234 -0.141) 4.338 2.733 ( 3.146 4.259 -3.023) 6.096 2.860 ( -3.553 -6.395 -1.757) 7.523 3.234 ( 4.809 6.342 10.189) 12.929 3.320 ( 4.152 0.433 3.006) 5.144 3.698 ( -2.470 5.793 10.642) 12.366 3.800 ( -1.679 -0.431 5.896) 6.145 3.951 ( 7.904 -0.719 9.081) 12.060 4.024 ( 5.752 -8.108 5.360) 11.294 4.190 ( -5.450 5.767 -1.150) 8.018 4.354 ( -6.255 -7.069 -6.091) 11.234 4.933 ( 1.104 8.261 11.495) 14.198 5.055 ( -1.946 -2.486 7.819) 8.433 5.134 ( 2.426 2.503 -3.403) 4.872 5.168 ( 7.598 -0.975 -5.328) 9.331 5.504 ( -4.405 3.266 6.017) 8.141 5.561 ( -3.908 -1.948 6.157) 7.548 5.658 ( 4.994 4.656 -15.413) 16.857 5.700 ( 2.218 0.875 -13.367) 13.578 6.770 ( 2.351 0.519 0.224) 2.418 6.790 ( 3.249 -1.342 -2.006) 4.047 7.259 ( -1.637 -0.386 4.297) 4.615 7.275 ( -2.482 -2.116 4.610) 5.647 7.605 ( -3.382 1.266 -1.013) 3.751 7.624 ( -2.021 -0.478 -3.206) 3.819 8.263 ( 2.254 6.385 6.825) 9.614 8.342 ( 1.149 -0.741 0.061) 1.368 8.582 ( 2.076 4.564 9.791) 11.000 8.741 ( -1.840 -9.061 2.410) 9.555 9.120 ( 0.966 6.996 0.054) 7.062 9.187 ( 2.395 2.270 -4.848) 5.865 9.566 ( 1.729 -1.751 3.458) 4.244 9.613 ( -2.154 -4.542 1.815) 5.344 9.835 ( 2.449 5.288 -3.187) 6.642 9.889 ( 1.878 0.442 -5.482) 5.812 10.407 ( -0.145 6.189 7.496) 9.722 10.482 ( 5.400 -2.196 7.419) 9.435 10.765 ( -10.493 7.283 -12.505) 17.875 10.885 ( -12.654 -4.831 -13.158) 18.884 11.680 ( -2.724 2.766 5.783) 6.965 11.749 ( -6.028 -4.060 2.882) 7.818 12.028 ( 7.118 5.246 3.921) 9.673 12.112 ( 9.113 -2.172 4.977) 10.609 12.270 ( -7.968 2.374 -1.948) 8.540 12.333 ( -6.723 -2.975 -1.032) 7.424 13.598 ( 7.743 3.936 4.320) 9.701 13.690 ( 14.047 -3.212 1.642) 14.503 13.813 ( -2.439 5.704 -4.031) 7.398 13.928 ( -12.004 -5.405 -3.145) 13.536 14.257 ( -9.576 -2.026 4.141) 10.628 14.343 ( -10.821 -9.062 -0.529) 14.124 16.042 ( 10.507 7.973 6.073) 14.521 16.192 ( 5.785 -5.986 4.955) 9.688 16.311 ( 3.861 5.598 -4.319) 8.056 16.392 ( 0.563 -2.009 -6.335) 6.670 17.432 ( -2.718 3.763 16.856) 17.484 17.556 ( -1.809 -8.309 8.780) 12.223 18.017 ( 2.438 2.830 -0.830) 3.826 18.108 ( -0.096 -6.144 -5.250) 8.082 18.577 ( -6.055 5.195 4.538) 9.178 18.648 ( -3.362 -1.060 -2.967) 4.608 19.661 ( 0.269 2.103 -1.892) 2.841 19.810 ( 3.070 -11.670 -16.810) 20.693 23.698 ( -3.657 10.633 20.789) 23.635 23.907 ( -1.904 -8.947 14.756) 17.361 24.194 ( 3.002 6.428 -21.202) 22.358 24.361 ( 4.182 -9.055 -23.050) 25.115 ======================= Grid point 221 (123/125) ======================= q-point: (-0.43 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.121 -0.209 6.407) 6.411 1.913 ( -0.407 -5.367 0.526) 5.409 2.069 ( 1.403 0.274 -0.887) 1.682 2.107 ( 2.088 -3.441 -3.011) 5.027 2.616 ( -4.850 5.189 -0.365) 7.112 2.700 ( -3.800 5.770 -0.171) 6.911 2.719 ( -3.232 -2.531 -1.904) 4.525 2.851 ( 3.812 -6.453 -1.041) 7.567 3.277 ( -4.304 4.045 5.750) 8.243 3.339 ( -3.294 -0.474 1.562) 3.676 3.727 ( 0.897 7.702 9.290) 12.101 3.784 ( -0.421 2.225 3.809) 4.431 4.049 ( -0.259 0.235 3.536) 3.554 4.101 ( -4.516 2.427 6.130) 7.991 4.151 ( 3.923 -6.485 -2.108) 7.867 4.247 ( -0.644 -8.627 -2.255) 8.941 4.927 ( -5.187 6.296 12.073) 14.570 4.982 ( -7.340 0.201 10.142) 12.521 5.142 ( -1.989 5.495 -5.155) 7.792 5.246 ( 1.324 -4.464 -2.641) 5.353 5.446 ( -2.515 4.912 4.433) 7.078 5.526 ( -0.244 -2.285 2.647) 3.505 5.682 ( 2.618 5.004 -12.727) 13.924 5.733 ( 4.645 0.141 -10.787) 11.745 6.725 ( -7.357 -0.168 4.361) 8.554 6.742 ( -7.284 -1.642 3.055) 8.068 7.295 ( 3.069 -0.310 0.804) 3.188 7.308 ( 4.245 -1.457 1.426) 4.710 7.556 ( -0.842 1.283 2.438) 2.881 7.590 ( -0.972 -1.775 0.913) 2.220 8.348 ( 4.047 4.993 -0.632) 6.458 8.361 ( 2.704 3.900 -3.930) 6.162 8.677 ( 1.886 -0.425 5.781) 6.095 8.716 ( 0.472 -3.624 1.408) 3.917 9.127 ( -0.202 10.186 -1.192) 10.258 9.217 ( 3.001 1.520 -7.561) 8.276 9.520 ( -7.830 -1.906 6.095) 10.104 9.548 ( -6.076 -5.312 7.374) 10.932 9.862 ( 1.239 2.919 -3.571) 4.776 9.923 ( 3.666 -1.582 -7.635) 8.616 10.495 ( 4.402 8.733 8.741) 13.117 10.546 ( -6.298 4.549 -6.725) 10.275 10.662 ( 3.295 -2.457 0.787) 4.185 10.702 ( 4.382 -4.296 -1.202) 6.254 11.685 ( 1.446 2.420 4.429) 5.250 11.755 ( 6.071 -4.226 2.601) 7.841 12.093 ( -5.255 6.232 -0.575) 8.172 12.178 ( -1.733 0.916 2.175) 2.929 12.249 ( 3.920 -0.955 -5.061) 6.472 12.295 ( 7.930 -2.579 2.494) 8.704 13.611 ( -8.574 3.109 5.789) 10.802 13.674 ( -8.100 -3.030 2.396) 8.974 13.739 ( -5.661 4.983 0.191) 7.544 13.913 ( 3.841 -9.612 0.001) 10.350 14.264 ( 12.098 2.768 1.791) 12.539 14.393 ( 14.872 -8.646 -4.194) 17.707 16.140 ( -9.261 8.233 -1.666) 12.503 16.204 ( 0.716 2.550 2.183) 3.432 16.300 ( -2.245 -1.033 2.057) 3.215 16.331 ( -6.026 -3.655 -6.000) 9.256 17.438 ( -3.076 1.236 18.035) 18.338 17.525 ( -3.993 -6.987 9.498) 12.448 18.095 ( 7.085 0.380 -5.790) 9.158 18.126 ( 4.315 -2.661 -9.518) 10.784 18.530 ( -0.967 6.136 7.856) 10.015 18.635 ( 2.032 -3.223 0.447) 3.836 19.637 ( -2.075 2.798 -0.429) 3.510 19.794 ( 0.873 -11.624 -14.653) 18.724 23.710 ( -2.640 10.687 20.549) 23.312 23.922 ( -1.868 -9.335 14.601) 17.431 24.180 ( 3.228 7.092 -21.290) 22.671 24.355 ( 3.479 -9.239 -23.160) 25.177 ======================= Grid point 222 (124/125) ======================= q-point: (-0.29 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -0.392 3.396 2.413) 4.184 1.951 ( 1.703 -2.814 4.406) 5.498 2.069 ( -1.397 2.568 -1.863) 3.467 2.165 ( 3.184 -5.351 -0.376) 6.238 2.497 ( -6.041 4.207 -1.206) 7.460 2.567 ( -4.797 -1.438 0.193) 5.012 2.712 ( -1.160 1.735 -0.799) 2.235 2.844 ( -3.314 -9.341 -0.318) 9.917 3.158 ( -7.033 5.237 -0.429) 8.779 3.257 ( -4.887 -1.110 0.817) 5.078 3.745 ( -2.637 0.217 5.858) 6.428 3.763 ( -4.734 0.151 5.010) 6.894 3.998 ( -0.834 7.009 -6.656) 9.702 4.084 ( -3.219 4.403 13.492) 14.553 4.137 ( 0.508 -3.546 -13.414) 13.884 4.279 ( -2.364 -10.604 11.408) 15.753 4.837 ( -7.127 4.332 7.236) 11.042 4.880 ( -5.539 -0.523 6.121) 8.272 5.051 ( -5.600 9.484 4.421) 11.868 5.218 ( -3.487 -6.550 2.406) 7.801 5.454 ( 2.238 7.559 -2.260) 8.201 5.562 ( 3.179 -2.206 -3.261) 5.060 5.678 ( 0.713 5.583 -7.837) 9.649 5.767 ( 2.492 -2.599 -8.427) 9.164 6.590 ( -7.435 0.161 5.778) 9.418 6.613 ( -6.814 -1.823 5.228) 8.780 7.267 ( -6.121 1.438 3.076) 7.000 7.300 ( -6.194 -1.352 3.726) 7.353 7.661 ( 9.690 -0.601 0.967) 9.757 7.677 ( 9.136 -2.183 1.398) 9.496 8.362 ( 1.025 5.406 -7.276) 9.122 8.435 ( 3.723 0.036 -4.839) 6.106 8.665 ( 0.246 6.152 -2.267) 6.561 8.790 ( 3.176 -4.101 4.248) 6.704 9.100 ( -2.358 11.056 -0.787) 11.333 9.237 ( 1.690 -1.656 -8.943) 9.250 9.403 ( -5.560 -3.058 4.822) 7.970 9.447 ( -6.160 -5.627 7.936) 11.515 9.854 ( -0.605 3.602 -1.517) 3.955 9.941 ( 0.382 -3.703 -3.343) 5.003 10.441 ( -3.510 5.543 0.677) 6.596 10.505 ( -1.664 -0.583 -2.749) 3.266 10.836 ( 15.247 7.728 7.664) 18.733 10.956 ( 14.385 -4.276 8.785) 17.390 11.752 ( 2.183 5.926 3.161) 7.062 11.882 ( 0.707 -5.735 2.912) 6.470 12.011 ( 2.375 8.320 -7.197) 11.255 12.164 ( 4.204 -7.227 -8.575) 11.976 12.361 ( 4.844 2.982 3.530) 6.695 12.412 ( 3.562 -1.523 2.554) 4.640 13.346 ( -18.506 1.042 -0.121) 18.536 13.361 ( -18.506 0.485 0.354) 18.516 13.879 ( 15.013 8.602 7.325) 18.789 14.146 ( 18.601 -16.845 6.790) 25.997 14.566 ( 17.287 5.374 -2.337) 18.254 14.698 ( 16.942 -7.067 -3.731) 18.732 15.857 ( -16.939 12.010 -3.910) 21.130 16.081 ( -14.067 -9.279 -5.000) 17.578 16.143 ( -10.380 4.725 -1.585) 11.515 16.243 ( -6.564 -4.631 4.245) 9.086 17.440 ( -2.562 1.508 16.537) 16.802 17.504 ( -1.605 -4.022 10.137) 11.023 18.139 ( -0.242 1.930 -10.723) 10.898 18.185 ( 2.976 -2.846 -8.723) 9.646 18.630 ( 9.118 4.930 8.017) 13.104 18.748 ( 9.767 -5.531 5.130) 12.341 19.584 ( -3.443 3.974 -0.953) 5.343 19.740 ( -1.875 -10.619 -11.979) 16.117 23.733 ( -2.347 9.510 20.320) 22.558 23.930 ( -2.873 -9.350 15.857) 18.631 24.176 ( 4.339 6.953 -22.753) 24.184 24.339 ( 3.235 -8.562 -23.344) 25.075 ======================= Grid point 223 (125/125) ======================= q-point: (-0.14 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -2.985 8.171 2.879) 9.164 1.938 ( -3.591 7.185 -2.635) 8.453 2.038 ( -0.985 -3.250 3.519) 4.890 2.172 ( -1.732 -7.809 -2.281) 8.318 2.427 ( -1.095 4.134 0.596) 4.318 2.502 ( -2.732 -2.579 -1.420) 4.016 2.737 ( 4.698 -0.084 3.904) 6.109 2.820 ( 1.772 -8.233 2.526) 8.792 3.050 ( -3.745 3.388 -3.513) 6.152 3.154 ( -6.053 -4.827 -1.928) 7.979 3.658 ( -5.755 0.141 1.109) 5.863 3.677 ( -5.690 -1.913 4.371) 7.426 3.989 ( -4.133 8.010 7.574) 11.773 4.046 ( 0.442 2.340 -0.595) 2.455 4.112 ( 1.358 -0.888 -9.170) 9.312 4.185 ( -10.835 -9.138 11.099) 18.003 4.764 ( -1.897 4.451 5.612) 7.410 4.849 ( 0.407 -3.147 5.192) 6.085 4.977 ( -4.754 10.204 6.475) 12.987 5.138 ( -5.509 -5.824 0.760) 8.053 5.488 ( 2.118 9.246 -4.665) 10.570 5.596 ( 2.559 3.942 -8.844) 10.015 5.671 ( 0.480 1.047 -1.115) 1.603 5.783 ( 1.997 -5.126 -6.730) 8.692 6.508 ( -3.110 1.153 5.676) 6.574 6.534 ( -3.450 -1.165 5.470) 6.571 7.162 ( -4.715 0.007 2.658) 5.412 7.180 ( -6.739 -1.233 4.593) 8.248 7.829 ( 6.283 0.416 2.124) 6.645 7.851 ( 7.518 -1.928 0.383) 7.770 8.349 ( 0.023 4.829 -5.098) 7.022 8.449 ( 0.414 -4.200 -8.866) 9.819 8.709 ( 4.126 9.262 1.681) 10.278 8.844 ( 0.520 -2.552 3.861) 4.657 9.044 ( -2.983 8.335 1.228) 8.938 9.205 ( -1.885 -6.907 -9.219) 11.673 9.365 ( -0.158 -1.711 4.620) 4.929 9.392 ( -1.378 -3.170 3.815) 5.148 9.852 ( 0.677 4.199 -0.021) 4.253 9.927 ( -0.949 -2.651 -1.574) 3.226 10.408 ( -1.384 5.480 5.722) 8.043 10.476 ( -0.690 -1.061 -0.261) 1.292 11.184 ( 17.168 6.623 9.017) 20.492 11.264 ( 14.845 -1.764 8.679) 17.286 11.742 ( -3.482 4.474 1.538) 5.874 11.802 ( -5.564 -0.546 -0.752) 5.641 12.096 ( 4.448 5.213 -11.692) 13.552 12.185 ( -1.954 -2.413 -13.589) 13.939 12.441 ( 2.679 2.033 6.482) 7.302 12.512 ( 7.190 -5.305 7.842) 11.888 12.987 ( -16.245 3.677 -1.492) 16.723 13.065 ( -13.047 -3.297 -0.834) 13.483 14.288 ( 23.236 10.398 7.654) 26.582 14.545 ( 17.750 -13.714 6.795) 23.438 14.858 ( 14.202 4.799 -4.112) 15.545 14.959 ( 10.023 -4.685 -1.494) 11.164 15.546 ( -12.350 10.125 -1.676) 16.058 15.762 ( -16.209 -10.983 -3.362) 19.866 15.924 ( -10.594 5.434 -2.856) 12.244 16.064 ( -12.919 -8.106 1.721) 15.349 17.456 ( -1.724 2.724 15.735) 16.062 17.516 ( -1.187 -2.679 10.337) 10.744 18.075 ( -1.787 2.766 -8.898) 9.488 18.139 ( -3.541 -3.630 -8.744) 10.108 18.878 ( 12.467 4.798 7.971) 15.556 19.006 ( 13.211 -7.125 7.634) 16.840 19.496 ( -4.666 4.829 -5.267) 8.534 19.645 ( -3.508 -9.254 -11.938) 15.506 23.753 ( -2.992 7.720 20.315) 21.938 23.920 ( -3.971 -8.432 17.018) 19.403 24.189 ( 5.345 5.567 -23.955) 25.167 24.323 ( 3.595 -7.295 -23.485) 24.853 =================== 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 3/31752 10.0 191.159 247.503 400.506 0.000 110.532 0.000 3/31752 20.0 37.376 62.040 71.763 0.000 6.409 0.000 3/31752 30.0 17.836 28.052 35.287 0.000 1.194 0.000 3/31752 40.0 11.313 17.274 22.734 0.000 0.209 0.000 3/31752 50.0 8.243 12.424 16.787 0.000 -0.095 0.000 3/31752 60.0 6.490 9.707 13.361 0.000 -0.206 0.000 3/31752 70.0 5.362 7.967 11.118 0.000 -0.245 0.000 3/31752 80.0 4.577 6.755 9.524 0.000 -0.254 0.000 3/31752 90.0 4.002 5.862 8.330 0.000 -0.249 0.000 3/31752 100.0 3.564 5.178 7.401 0.000 -0.239 0.000 3/31752 110.0 3.220 4.639 6.659 0.000 -0.226 0.000 3/31752 120.0 2.944 4.203 6.053 0.000 -0.212 0.000 3/31752 130.0 2.716 3.844 5.550 0.000 -0.199 0.000 3/31752 140.0 2.526 3.543 5.126 0.000 -0.187 0.000 3/31752 150.0 2.364 3.288 4.764 0.000 -0.176 0.000 3/31752 160.0 2.225 3.069 4.453 0.000 -0.166 0.000 3/31752 170.0 2.103 2.878 4.181 0.000 -0.157 0.000 3/31752 180.0 1.995 2.710 3.943 0.000 -0.149 0.000 3/31752 190.0 1.899 2.562 3.732 0.000 -0.142 0.000 3/31752 200.0 1.812 2.430 3.544 0.000 -0.136 0.000 3/31752 210.0 1.734 2.312 3.376 0.000 -0.130 0.000 3/31752 220.0 1.663 2.205 3.224 0.000 -0.125 0.000 3/31752 230.0 1.598 2.108 3.086 0.000 -0.120 0.000 3/31752 240.0 1.538 2.020 2.960 0.000 -0.116 0.000 3/31752 250.0 1.482 1.939 2.845 0.000 -0.112 0.000 3/31752 260.0 1.431 1.864 2.739 0.000 -0.108 0.000 3/31752 270.0 1.383 1.796 2.641 0.000 -0.105 0.000 3/31752 280.0 1.338 1.732 2.550 0.000 -0.102 0.000 3/31752 290.0 1.296 1.673 2.466 0.000 -0.099 0.000 3/31752 300.0 1.257 1.617 2.387 0.000 -0.096 0.000 3/31752 310.0 1.220 1.566 2.314 0.000 -0.093 0.000 3/31752 320.0 1.185 1.518 2.245 0.000 -0.091 0.000 3/31752 330.0 1.152 1.472 2.180 0.000 -0.089 0.000 3/31752 340.0 1.120 1.430 2.119 0.000 -0.087 0.000 3/31752 350.0 1.091 1.389 2.062 0.000 -0.085 0.000 3/31752 360.0 1.063 1.351 2.007 0.000 -0.083 0.000 3/31752 370.0 1.036 1.315 1.956 0.000 -0.081 0.000 3/31752 380.0 1.011 1.281 1.907 0.000 -0.079 0.000 3/31752 390.0 0.987 1.249 1.861 0.000 -0.078 0.000 3/31752 400.0 0.964 1.218 1.817 0.000 -0.076 0.000 3/31752 410.0 0.942 1.189 1.774 0.000 -0.075 0.000 3/31752 420.0 0.921 1.161 1.734 0.000 -0.073 0.000 3/31752 430.0 0.900 1.135 1.696 0.000 -0.072 0.000 3/31752 440.0 0.881 1.109 1.659 0.000 -0.070 0.000 3/31752 450.0 0.863 1.085 1.624 0.000 -0.069 0.000 3/31752 460.0 0.845 1.062 1.591 0.000 -0.068 0.000 3/31752 470.0 0.828 1.040 1.558 0.000 -0.067 0.000 3/31752 480.0 0.812 1.018 1.527 0.000 -0.066 0.000 3/31752 490.0 0.796 0.998 1.498 0.000 -0.064 0.000 3/31752 500.0 0.781 0.978 1.469 0.000 -0.063 0.000 3/31752 510.0 0.766 0.960 1.441 0.000 -0.062 0.000 3/31752 520.0 0.752 0.941 1.415 0.000 -0.061 0.000 3/31752 530.0 0.738 0.924 1.389 0.000 -0.060 0.000 3/31752 540.0 0.725 0.907 1.365 0.000 -0.059 0.000 3/31752 550.0 0.713 0.891 1.341 0.000 -0.058 0.000 3/31752 560.0 0.700 0.875 1.318 0.000 -0.058 0.000 3/31752 570.0 0.689 0.860 1.296 0.000 -0.057 0.000 3/31752 580.0 0.677 0.845 1.274 0.000 -0.056 0.000 3/31752 590.0 0.666 0.831 1.253 0.000 -0.055 0.000 3/31752 600.0 0.655 0.818 1.233 0.000 -0.054 0.000 3/31752 610.0 0.645 0.804 1.214 0.000 -0.053 0.000 3/31752 620.0 0.635 0.792 1.195 0.000 -0.053 0.000 3/31752 630.0 0.625 0.779 1.177 0.000 -0.052 0.000 3/31752 640.0 0.616 0.767 1.159 0.000 -0.051 0.000 3/31752 650.0 0.607 0.755 1.142 0.000 -0.051 0.000 3/31752 660.0 0.598 0.744 1.125 0.000 -0.050 0.000 3/31752 670.0 0.589 0.733 1.109 0.000 -0.049 0.000 3/31752 680.0 0.581 0.722 1.093 0.000 -0.049 0.000 3/31752 690.0 0.572 0.712 1.077 0.000 -0.048 0.000 3/31752 700.0 0.564 0.702 1.062 0.000 -0.047 0.000 3/31752 710.0 0.557 0.692 1.048 0.000 -0.047 0.000 3/31752 720.0 0.549 0.683 1.034 0.000 -0.046 0.000 3/31752 730.0 0.542 0.674 1.020 0.000 -0.046 0.000 3/31752 740.0 0.535 0.665 1.007 0.000 -0.045 0.000 3/31752 750.0 0.528 0.656 0.994 0.000 -0.044 0.000 3/31752 760.0 0.521 0.647 0.981 0.000 -0.044 0.000 3/31752 770.0 0.514 0.639 0.968 0.000 -0.043 0.000 3/31752 780.0 0.508 0.631 0.956 0.000 -0.043 0.000 3/31752 790.0 0.502 0.623 0.945 0.000 -0.042 0.000 3/31752 800.0 0.496 0.615 0.933 0.000 -0.042 0.000 3/31752 810.0 0.490 0.608 0.922 0.000 -0.041 0.000 3/31752 820.0 0.484 0.600 0.911 0.000 -0.041 0.000 3/31752 830.0 0.478 0.593 0.900 0.000 -0.041 0.000 3/31752 840.0 0.472 0.586 0.890 0.000 -0.040 0.000 3/31752 850.0 0.467 0.579 0.879 0.000 -0.040 0.000 3/31752 860.0 0.462 0.573 0.869 0.000 -0.039 0.000 3/31752 870.0 0.456 0.566 0.860 0.000 -0.039 0.000 3/31752 880.0 0.451 0.560 0.850 0.000 -0.038 0.000 3/31752 890.0 0.446 0.553 0.841 0.000 -0.038 0.000 3/31752 900.0 0.441 0.547 0.832 0.000 -0.038 0.000 3/31752 910.0 0.437 0.541 0.823 0.000 -0.037 0.000 3/31752 920.0 0.432 0.536 0.814 0.000 -0.037 0.000 3/31752 930.0 0.427 0.530 0.805 0.000 -0.036 0.000 3/31752 940.0 0.423 0.524 0.797 0.000 -0.036 0.000 3/31752 950.0 0.419 0.519 0.789 0.000 -0.036 0.000 3/31752 960.0 0.414 0.513 0.781 0.000 -0.035 0.000 3/31752 970.0 0.410 0.508 0.773 0.000 -0.035 0.000 3/31752 980.0 0.406 0.503 0.765 0.000 -0.035 0.000 3/31752 990.0 0.402 0.498 0.757 0.000 -0.034 0.000 3/31752 1000.0 0.398 0.493 0.750 0.000 -0.034 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m797.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:45:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|