----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:52:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.644104550000000 5.083329470000000 3.748687470000000 b 3.644104550000000 -5.083329470000000 3.748687470000000 c 3.644104550000000 5.083329470000000 -3.748687470000000 Atomic positions (fractional): *1 O 0.05375483855549 0.22488435362171 0.41256606972200 15.999 2 O 0.94624516144451 0.35881123116650 0.17112951506622 15.999 3 O 0.31231828389972 0.64118876883350 0.08743393027800 15.999 4 O 0.68768171610028 0.77511564637829 0.32887048493378 15.999 5 O 0.94624516144451 0.77511564637829 0.58743393027800 15.999 6 O 0.05375483855549 0.64118876883350 0.82887048493378 15.999 7 O 0.68768171610028 0.35881123116650 0.91256606972200 15.999 8 O 0.31231828389972 0.22488435362171 0.67112951506622 15.999 *9 O 0.09322958848795 0.84322958848795 0.25000000000000 15.999 10 O 0.90677041151205 0.15677041151205 0.75000000000000 15.999 *11 O 0.69903752363327 0.28087649240411 0.41816103122916 15.999 12 O 0.30096247636673 0.71912350759589 0.58183896877084 15.999 13 O 0.36271546117495 0.28087649240411 0.08183896877084 15.999 14 O 0.63728453882505 0.71912350759589 0.91816103122916 15.999 *15 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 16 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *17 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 *19 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 20 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 *21 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 22 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.288209100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.166658940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.497374939999999 Atomic positions (fractional): *1 O 0.29184779239411 0.12071827732789 0.93303656122760 15.999 > 1 2 O 0.29184779239411 0.87928172267211 0.06696343877240 15.999 > 2 3 O 0.70815220760589 0.37928172267211 0.93303656122760 15.999 > 3 4 O 0.70815220760589 0.62071827732789 0.06696343877240 15.999 > 4 5 O 0.70815220760589 0.87928172267211 0.06696343877240 15.999 > 5 6 O 0.70815220760589 0.12071827732789 0.93303656122760 15.999 > 6 7 O 0.29184779239411 0.62071827732789 0.06696343877240 15.999 > 7 8 O 0.29184779239411 0.37928172267211 0.93303656122760 15.999 > 8 *9 O 0.00000000000000 0.25000000000000 0.84322958848795 15.999 > 9 10 O 0.00000000000000 0.75000000000000 0.15677041151205 15.999 > 10 *11 O 0.00000000000000 0.41816103122916 0.28087649240411 15.999 > 11 12 O 0.00000000000000 0.58183896877084 0.71912350759589 15.999 > 12 13 O 0.50000000000000 0.58183896877084 0.78087649240411 15.999 > 13 14 O 0.50000000000000 0.41816103122916 0.21912350759589 15.999 > 14 15 O 0.79184779239411 0.62071827732789 0.43303656122760 15.999 > 1 16 O 0.79184779239411 0.37928172267211 0.56696343877240 15.999 > 2 17 O 0.20815220760589 0.87928172267211 0.43303656122760 15.999 > 3 18 O 0.20815220760589 0.12071827732789 0.56696343877240 15.999 > 4 19 O 0.20815220760589 0.37928172267211 0.56696343877240 15.999 > 5 20 O 0.20815220760589 0.62071827732789 0.43303656122760 15.999 > 6 21 O 0.79184779239411 0.12071827732789 0.56696343877240 15.999 > 7 22 O 0.79184779239411 0.87928172267211 0.43303656122760 15.999 > 8 23 O 0.50000000000000 0.75000000000000 0.34322958848795 15.999 > 9 24 O 0.50000000000000 0.25000000000000 0.65677041151205 15.999 > 10 25 O 0.50000000000000 0.91816103122916 0.78087649240411 15.999 > 11 26 O 0.50000000000000 0.08183896877084 0.21912350759589 15.999 > 12 27 O 0.00000000000000 0.08183896877084 0.28087649240411 15.999 > 13 28 O 0.00000000000000 0.91816103122916 0.71912350759589 15.999 > 14 *29 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 15 30 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 16 *31 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 > 17 32 Na 0.25000000000000 0.75000000000000 0.75000000000000 22.990 > 18 33 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 15 34 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 16 35 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 > 17 36 Na 0.75000000000000 0.25000000000000 0.25000000000000 22.990 > 18 *37 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 19 38 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 20 *39 Te 0.75000000000000 0.75000000000000 0.25000000000000 127.600 > 21 40 Te 0.25000000000000 0.75000000000000 0.25000000000000 127.600 > 22 41 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 19 42 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 20 43 Te 0.25000000000000 0.25000000000000 0.75000000000000 127.600 > 21 44 Te 0.75000000000000 0.25000000000000 0.75000000000000 127.600 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.576418200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.166658940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.497374939999999 Atomic positions (fractional): *1 O 0.14592389619705 0.12071827732789 0.93303656122760 15.999 > 1 2 O 0.64592389619705 0.12071827732789 0.93303656122760 15.999 > 1 3 O 0.14592389619705 0.87928172267211 0.06696343877240 15.999 > 2 4 O 0.64592389619705 0.87928172267211 0.06696343877240 15.999 > 2 5 O 0.35407610380295 0.37928172267211 0.93303656122760 15.999 > 3 6 O 0.85407610380295 0.37928172267211 0.93303656122760 15.999 > 3 7 O 0.35407610380295 0.62071827732789 0.06696343877240 15.999 > 4 8 O 0.85407610380295 0.62071827732789 0.06696343877240 15.999 > 4 9 O 0.35407610380295 0.87928172267211 0.06696343877240 15.999 > 5 10 O 0.85407610380295 0.87928172267211 0.06696343877240 15.999 > 5 11 O 0.35407610380295 0.12071827732789 0.93303656122760 15.999 > 6 12 O 0.85407610380295 0.12071827732789 0.93303656122760 15.999 > 6 13 O 0.14592389619705 0.62071827732789 0.06696343877240 15.999 > 7 14 O 0.64592389619705 0.62071827732789 0.06696343877240 15.999 > 7 15 O 0.14592389619705 0.37928172267211 0.93303656122760 15.999 > 8 16 O 0.64592389619705 0.37928172267211 0.93303656122760 15.999 > 8 *17 O 0.00000000000000 0.25000000000000 0.84322958848795 15.999 > 9 18 O 0.50000000000000 0.25000000000000 0.84322958848795 15.999 > 9 19 O 0.00000000000000 0.75000000000000 0.15677041151205 15.999 > 10 20 O 0.50000000000000 0.75000000000000 0.15677041151205 15.999 > 10 *21 O 0.00000000000000 0.41816103122916 0.28087649240411 15.999 > 11 22 O 0.50000000000000 0.41816103122916 0.28087649240411 15.999 > 11 23 O 0.00000000000000 0.58183896877084 0.71912350759589 15.999 > 12 24 O 0.50000000000000 0.58183896877084 0.71912350759589 15.999 > 12 25 O 0.25000000000000 0.58183896877084 0.78087649240411 15.999 > 13 26 O 0.75000000000000 0.58183896877084 0.78087649240411 15.999 > 13 27 O 0.25000000000000 0.41816103122916 0.21912350759589 15.999 > 14 28 O 0.75000000000000 0.41816103122916 0.21912350759589 15.999 > 14 29 O 0.39592389619705 0.62071827732789 0.43303656122760 15.999 > 1 30 O 0.89592389619705 0.62071827732789 0.43303656122760 15.999 > 1 31 O 0.39592389619705 0.37928172267211 0.56696343877240 15.999 > 2 32 O 0.89592389619705 0.37928172267211 0.56696343877240 15.999 > 2 33 O 0.10407610380295 0.87928172267211 0.43303656122760 15.999 > 3 34 O 0.60407610380295 0.87928172267211 0.43303656122760 15.999 > 3 35 O 0.10407610380295 0.12071827732789 0.56696343877240 15.999 > 4 36 O 0.60407610380295 0.12071827732789 0.56696343877240 15.999 > 4 37 O 0.10407610380295 0.37928172267211 0.56696343877240 15.999 > 5 38 O 0.60407610380295 0.37928172267211 0.56696343877240 15.999 > 5 39 O 0.10407610380295 0.62071827732789 0.43303656122760 15.999 > 6 40 O 0.60407610380295 0.62071827732789 0.43303656122760 15.999 > 6 41 O 0.39592389619705 0.12071827732789 0.56696343877240 15.999 > 7 42 O 0.89592389619705 0.12071827732789 0.56696343877240 15.999 > 7 43 O 0.39592389619705 0.87928172267211 0.43303656122760 15.999 > 8 44 O 0.89592389619705 0.87928172267211 0.43303656122760 15.999 > 8 45 O 0.25000000000000 0.75000000000000 0.34322958848795 15.999 > 9 46 O 0.75000000000000 0.75000000000000 0.34322958848795 15.999 > 9 47 O 0.25000000000000 0.25000000000000 0.65677041151205 15.999 > 10 48 O 0.75000000000000 0.25000000000000 0.65677041151205 15.999 > 10 49 O 0.25000000000000 0.91816103122916 0.78087649240411 15.999 > 11 50 O 0.75000000000000 0.91816103122916 0.78087649240411 15.999 > 11 51 O 0.25000000000000 0.08183896877084 0.21912350759589 15.999 > 12 52 O 0.75000000000000 0.08183896877084 0.21912350759589 15.999 > 12 53 O 0.00000000000000 0.08183896877084 0.28087649240411 15.999 > 13 54 O 0.50000000000000 0.08183896877084 0.28087649240411 15.999 > 13 55 O 0.00000000000000 0.91816103122916 0.71912350759589 15.999 > 14 56 O 0.50000000000000 0.91816103122916 0.71912350759589 15.999 > 14 *57 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 15 58 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 15 59 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 16 60 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 16 *61 Na 0.37500000000000 0.75000000000000 0.75000000000000 22.990 > 17 62 Na 0.87500000000000 0.75000000000000 0.75000000000000 22.990 > 17 63 Na 0.12500000000000 0.75000000000000 0.75000000000000 22.990 > 18 64 Na 0.62500000000000 0.75000000000000 0.75000000000000 22.990 > 18 65 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 15 66 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 15 67 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 16 68 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 16 69 Na 0.12500000000000 0.25000000000000 0.25000000000000 22.990 > 17 70 Na 0.62500000000000 0.25000000000000 0.25000000000000 22.990 > 17 71 Na 0.37500000000000 0.25000000000000 0.25000000000000 22.990 > 18 72 Na 0.87500000000000 0.25000000000000 0.25000000000000 22.990 > 18 *73 Te 0.25000000000000 0.00000000000000 0.00000000000000 127.600 > 19 74 Te 0.75000000000000 0.00000000000000 0.00000000000000 127.600 > 19 75 Te 0.25000000000000 0.50000000000000 0.00000000000000 127.600 > 20 76 Te 0.75000000000000 0.50000000000000 0.00000000000000 127.600 > 20 *77 Te 0.37500000000000 0.75000000000000 0.25000000000000 127.600 > 21 78 Te 0.87500000000000 0.75000000000000 0.25000000000000 127.600 > 21 79 Te 0.12500000000000 0.75000000000000 0.25000000000000 127.600 > 22 80 Te 0.62500000000000 0.75000000000000 0.25000000000000 127.600 > 22 81 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 19 82 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 19 83 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 20 84 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 20 85 Te 0.12500000000000 0.25000000000000 0.75000000000000 127.600 > 21 86 Te 0.62500000000000 0.25000000000000 0.75000000000000 127.600 > 21 87 Te 0.37500000000000 0.25000000000000 0.75000000000000 127.600 > 22 88 Te 0.87500000000000 0.25000000000000 0.75000000000000 127.600 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2674720 0.0000000 0.0000000 0.0000000 4.1202081 0.0000000 0.0000000 0.0000000 3.7442554 -------------------------- Born effective charges -------------------------- 1 O -1.9338715 0.8584230 -0.5288057 0.8575228 -2.3803247 0.8767101 -0.4863052 0.8794492 -1.6023769 2 O -1.9338715 -0.8584230 0.5288057 -0.8575228 -2.3803247 0.8767101 0.4863052 0.8794492 -1.6023769 3 O -1.9338715 0.8584230 0.5288057 0.8575228 -2.3803247 -0.8767101 0.4863052 -0.8794492 -1.6023769 4 O -1.9338715 -0.8584230 -0.5288057 -0.8575228 -2.3803247 -0.8767101 -0.4863052 -0.8794492 -1.6023769 5 O -1.9338715 0.8584230 -0.5288057 0.8575228 -2.3803247 0.8767101 -0.4863052 0.8794492 -1.6023769 6 O -1.9338715 -0.8584230 0.5288057 -0.8575228 -2.3803247 0.8767101 0.4863052 0.8794492 -1.6023769 7 O -1.9338715 0.8584230 0.5288057 0.8575228 -2.3803247 -0.8767101 0.4863052 -0.8794492 -1.6023769 8 O -1.9338715 -0.8584230 -0.5288057 -0.8575228 -2.3803247 -0.8767101 -0.4863052 -0.8794492 -1.6023769 9 O -3.8180586 0.0000000 0.0000000 0.0000000 -1.2553588 0.0000000 0.0000000 0.0000000 -1.3147614 10 O -3.8180586 0.0000000 0.0000000 0.0000000 -1.2553588 0.0000000 0.0000000 0.0000000 -1.3147614 11 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 -0.1161347 0.0000000 0.1065069 -1.6636498 12 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 -0.1161347 0.0000000 0.1065069 -1.6636498 13 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 0.1161347 0.0000000 -0.1065069 -1.6636498 14 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 0.1161347 0.0000000 -0.1065069 -1.6636498 15 Na 1.2016363 0.0000000 0.0000000 0.0000000 0.9832576 0.1759580 0.0000000 0.0684623 1.3620871 16 Na 1.2016363 0.0000000 0.0000000 0.0000000 0.9832576 -0.1759580 0.0000000 -0.0684623 1.3620871 17 Na 1.0596127 0.0000000 -0.1451646 0.0000000 1.2366859 0.0000000 -0.4247591 0.0000000 1.2855537 18 Na 1.0596127 0.0000000 0.1451646 0.0000000 1.2366859 0.0000000 0.4247591 0.0000000 1.2855537 19 Te 5.5754036 0.0000000 0.0000000 0.0000000 6.0005194 -1.1393930 0.0000000 -2.5151732 3.6907221 20 Te 5.5754036 0.0000000 0.0000000 0.0000000 6.0005194 1.1393930 0.0000000 2.5151732 3.6907221 21 Te 6.3954250 0.0000000 0.9271347 0.0000000 5.6217950 0.0000000 0.4939759 0.0000000 4.7132058 22 Te 6.3954250 0.0000000 -0.9271347 0.0000000 5.6217950 0.0000000 -0.4939759 0.0000000 4.7132058 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1215), data: False |-- (186, 179), data: True |-- (186, 179), data: True |-- (186, 179), data: True |-- (196, 194), data: True |-- (238, 232), data: True |-- (260, 252), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.138 Solver_block: 200 / 400 - Time: 1.142 Solver_block: 300 / 400 - Time: 1.138 Solver_block: 400 / 400 - Time: 1.138 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.584 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1215), data: False |-- (186, 179), data: True |-- (186, 179), data: True |-- (186, 179), data: True |-- (196, 194), data: True |-- (238, 232), data: True |-- (260, 252), 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 04:52:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:52:22]------------------------- 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 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.644104550000000 5.083329470000000 3.748687470000000 b 3.644104550000000 -5.083329470000000 3.748687470000000 c 3.644104550000000 5.083329470000000 -3.748687470000000 Atomic positions (fractional): 1 O 0.05375483855549 0.22488435362171 0.41256606972200 15.999 2 O 0.94624516144451 0.35881123116650 0.17112951506622 15.999 3 O 0.31231828389972 0.64118876883350 0.08743393027800 15.999 4 O 0.68768171610028 0.77511564637829 0.32887048493378 15.999 5 O 0.94624516144451 0.77511564637829 0.58743393027800 15.999 6 O 0.05375483855549 0.64118876883350 0.82887048493378 15.999 7 O 0.68768171610028 0.35881123116650 0.91256606972200 15.999 8 O 0.31231828389972 0.22488435362171 0.67112951506622 15.999 9 O 0.09322958848795 0.84322958848795 0.25000000000000 15.999 10 O 0.90677041151205 0.15677041151205 0.75000000000000 15.999 11 O 0.69903752363327 0.28087649240411 0.41816103122916 15.999 12 O 0.30096247636673 0.71912350759589 0.58183896877084 15.999 13 O 0.36271546117495 0.28087649240411 0.08183896877084 15.999 14 O 0.63728453882505 0.71912350759589 0.91816103122916 15.999 15 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 16 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 17 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 20 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 21 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 22 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.576418200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.166658940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.497374939999999 Atomic positions (fractional): 1 O 0.14592389619705 0.12071827732789 0.93303656122760 15.999 > 1 2 O 0.64592389619705 0.12071827732789 0.93303656122760 15.999 > 1 3 O 0.14592389619705 0.87928172267211 0.06696343877240 15.999 > 3 4 O 0.64592389619705 0.87928172267211 0.06696343877240 15.999 > 3 5 O 0.35407610380295 0.37928172267211 0.93303656122760 15.999 > 5 6 O 0.85407610380295 0.37928172267211 0.93303656122760 15.999 > 5 7 O 0.35407610380295 0.62071827732789 0.06696343877240 15.999 > 7 8 O 0.85407610380295 0.62071827732789 0.06696343877240 15.999 > 7 9 O 0.35407610380295 0.87928172267211 0.06696343877240 15.999 > 9 10 O 0.85407610380295 0.87928172267211 0.06696343877240 15.999 > 9 11 O 0.35407610380295 0.12071827732789 0.93303656122760 15.999 > 11 12 O 0.85407610380295 0.12071827732789 0.93303656122760 15.999 > 11 13 O 0.14592389619705 0.62071827732789 0.06696343877240 15.999 > 13 14 O 0.64592389619705 0.62071827732789 0.06696343877240 15.999 > 13 15 O 0.14592389619705 0.37928172267211 0.93303656122760 15.999 > 15 16 O 0.64592389619705 0.37928172267211 0.93303656122760 15.999 > 15 17 O 0.00000000000000 0.25000000000000 0.84322958848795 15.999 > 17 18 O 0.50000000000000 0.25000000000000 0.84322958848795 15.999 > 17 19 O 0.00000000000000 0.75000000000000 0.15677041151205 15.999 > 19 20 O 0.50000000000000 0.75000000000000 0.15677041151205 15.999 > 19 21 O 0.00000000000000 0.41816103122916 0.28087649240411 15.999 > 21 22 O 0.50000000000000 0.41816103122916 0.28087649240411 15.999 > 21 23 O 0.00000000000000 0.58183896877084 0.71912350759589 15.999 > 23 24 O 0.50000000000000 0.58183896877084 0.71912350759589 15.999 > 23 25 O 0.25000000000000 0.58183896877084 0.78087649240411 15.999 > 25 26 O 0.75000000000000 0.58183896877084 0.78087649240411 15.999 > 25 27 O 0.25000000000000 0.41816103122916 0.21912350759589 15.999 > 27 28 O 0.75000000000000 0.41816103122916 0.21912350759589 15.999 > 27 29 O 0.39592389619705 0.62071827732789 0.43303656122760 15.999 > 1 30 O 0.89592389619705 0.62071827732789 0.43303656122760 15.999 > 1 31 O 0.39592389619705 0.37928172267211 0.56696343877240 15.999 > 3 32 O 0.89592389619705 0.37928172267211 0.56696343877240 15.999 > 3 33 O 0.10407610380295 0.87928172267211 0.43303656122760 15.999 > 5 34 O 0.60407610380295 0.87928172267211 0.43303656122760 15.999 > 5 35 O 0.10407610380295 0.12071827732789 0.56696343877240 15.999 > 7 36 O 0.60407610380295 0.12071827732789 0.56696343877240 15.999 > 7 37 O 0.10407610380295 0.37928172267211 0.56696343877240 15.999 > 9 38 O 0.60407610380295 0.37928172267211 0.56696343877240 15.999 > 9 39 O 0.10407610380295 0.62071827732789 0.43303656122760 15.999 > 11 40 O 0.60407610380295 0.62071827732789 0.43303656122760 15.999 > 11 41 O 0.39592389619705 0.12071827732789 0.56696343877240 15.999 > 13 42 O 0.89592389619705 0.12071827732789 0.56696343877240 15.999 > 13 43 O 0.39592389619705 0.87928172267211 0.43303656122760 15.999 > 15 44 O 0.89592389619705 0.87928172267211 0.43303656122760 15.999 > 15 45 O 0.25000000000000 0.75000000000000 0.34322958848795 15.999 > 17 46 O 0.75000000000000 0.75000000000000 0.34322958848795 15.999 > 17 47 O 0.25000000000000 0.25000000000000 0.65677041151205 15.999 > 19 48 O 0.75000000000000 0.25000000000000 0.65677041151205 15.999 > 19 49 O 0.25000000000000 0.91816103122916 0.78087649240411 15.999 > 21 50 O 0.75000000000000 0.91816103122916 0.78087649240411 15.999 > 21 51 O 0.25000000000000 0.08183896877084 0.21912350759589 15.999 > 23 52 O 0.75000000000000 0.08183896877084 0.21912350759589 15.999 > 23 53 O 0.00000000000000 0.08183896877084 0.28087649240411 15.999 > 25 54 O 0.50000000000000 0.08183896877084 0.28087649240411 15.999 > 25 55 O 0.00000000000000 0.91816103122916 0.71912350759589 15.999 > 27 56 O 0.50000000000000 0.91816103122916 0.71912350759589 15.999 > 27 57 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 57 58 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 57 59 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 59 60 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 59 61 Na 0.37500000000000 0.75000000000000 0.75000000000000 22.990 > 61 62 Na 0.87500000000000 0.75000000000000 0.75000000000000 22.990 > 61 63 Na 0.12500000000000 0.75000000000000 0.75000000000000 22.990 > 63 64 Na 0.62500000000000 0.75000000000000 0.75000000000000 22.990 > 63 65 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 57 66 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 57 67 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 59 68 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 59 69 Na 0.12500000000000 0.25000000000000 0.25000000000000 22.990 > 61 70 Na 0.62500000000000 0.25000000000000 0.25000000000000 22.990 > 61 71 Na 0.37500000000000 0.25000000000000 0.25000000000000 22.990 > 63 72 Na 0.87500000000000 0.25000000000000 0.25000000000000 22.990 > 63 73 Te 0.25000000000000 0.00000000000000 0.00000000000000 127.600 > 73 74 Te 0.75000000000000 0.00000000000000 0.00000000000000 127.600 > 73 75 Te 0.25000000000000 0.50000000000000 0.00000000000000 127.600 > 75 76 Te 0.75000000000000 0.50000000000000 0.00000000000000 127.600 > 75 77 Te 0.37500000000000 0.75000000000000 0.25000000000000 127.600 > 77 78 Te 0.87500000000000 0.75000000000000 0.25000000000000 127.600 > 77 79 Te 0.12500000000000 0.75000000000000 0.25000000000000 127.600 > 79 80 Te 0.62500000000000 0.75000000000000 0.25000000000000 127.600 > 79 81 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 73 82 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 73 83 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 75 84 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 75 85 Te 0.12500000000000 0.25000000000000 0.75000000000000 127.600 > 77 86 Te 0.62500000000000 0.25000000000000 0.75000000000000 127.600 > 77 87 Te 0.37500000000000 0.25000000000000 0.75000000000000 127.600 > 79 88 Te 0.87500000000000 0.25000000000000 0.75000000000000 127.600 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2674720 0.0000000 0.0000000 0.0000000 4.1202081 0.0000000 0.0000000 0.0000000 3.7442554 -------------------------- Born effective charges -------------------------- 1 O -1.9338715 0.8584230 -0.5288057 0.8575228 -2.3803247 0.8767101 -0.4863052 0.8794492 -1.6023769 2 O -1.9338715 -0.8584230 0.5288057 -0.8575228 -2.3803247 0.8767101 0.4863052 0.8794492 -1.6023769 3 O -1.9338715 0.8584230 0.5288057 0.8575228 -2.3803247 -0.8767101 0.4863052 -0.8794492 -1.6023769 4 O -1.9338715 -0.8584230 -0.5288057 -0.8575228 -2.3803247 -0.8767101 -0.4863052 -0.8794492 -1.6023769 5 O -1.9338715 0.8584230 -0.5288057 0.8575228 -2.3803247 0.8767101 -0.4863052 0.8794492 -1.6023769 6 O -1.9338715 -0.8584230 0.5288057 -0.8575228 -2.3803247 0.8767101 0.4863052 0.8794492 -1.6023769 7 O -1.9338715 0.8584230 0.5288057 0.8575228 -2.3803247 -0.8767101 0.4863052 -0.8794492 -1.6023769 8 O -1.9338715 -0.8584230 -0.5288057 -0.8575228 -2.3803247 -0.8767101 -0.4863052 -0.8794492 -1.6023769 9 O -3.8180586 0.0000000 0.0000000 0.0000000 -1.2553588 0.0000000 0.0000000 0.0000000 -1.3147614 10 O -3.8180586 0.0000000 0.0000000 0.0000000 -1.2553588 0.0000000 0.0000000 0.0000000 -1.3147614 11 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 -0.1161347 0.0000000 0.1065069 -1.6636498 12 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 -0.1161347 0.0000000 0.1065069 -1.6636498 13 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 0.1161347 0.0000000 -0.1065069 -1.6636498 14 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 0.1161347 0.0000000 -0.1065069 -1.6636498 15 Na 1.2016363 0.0000000 0.0000000 0.0000000 0.9832576 0.1759580 0.0000000 0.0684623 1.3620871 16 Na 1.2016363 0.0000000 0.0000000 0.0000000 0.9832576 -0.1759580 0.0000000 -0.0684623 1.3620871 17 Na 1.0596127 0.0000000 -0.1451646 0.0000000 1.2366859 0.0000000 -0.4247591 0.0000000 1.2855537 18 Na 1.0596127 0.0000000 0.1451646 0.0000000 1.2366859 0.0000000 0.4247591 0.0000000 1.2855537 19 Te 5.5754036 0.0000000 0.0000000 0.0000000 6.0005194 -1.1393930 0.0000000 -2.5151732 3.6907221 20 Te 5.5754036 0.0000000 0.0000000 0.0000000 6.0005194 1.1393930 0.0000000 2.5151732 3.6907221 21 Te 6.3954250 0.0000000 0.9271347 0.0000000 5.6217950 0.0000000 0.4939759 0.0000000 4.7132058 22 Te 6.3954250 0.0000000 -0.9271347 0.0000000 5.6217950 0.0000000 -0.4939759 0.0000000 4.7132058 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 04:52:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:52:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.644104550000000 5.083329470000000 3.748687470000000 b 3.644104550000000 -5.083329470000000 3.748687470000000 c 3.644104550000000 5.083329470000000 -3.748687470000000 Atomic positions (fractional): 1 O 0.05375483855549 0.22488435362171 0.41256606972200 15.999 2 O 0.94624516144451 0.35881123116650 0.17112951506622 15.999 3 O 0.31231828389972 0.64118876883350 0.08743393027800 15.999 4 O 0.68768171610028 0.77511564637829 0.32887048493378 15.999 5 O 0.94624516144451 0.77511564637829 0.58743393027800 15.999 6 O 0.05375483855549 0.64118876883350 0.82887048493378 15.999 7 O 0.68768171610028 0.35881123116650 0.91256606972200 15.999 8 O 0.31231828389972 0.22488435362171 0.67112951506622 15.999 9 O 0.09322958848795 0.84322958848795 0.25000000000000 15.999 10 O 0.90677041151205 0.15677041151205 0.75000000000000 15.999 11 O 0.69903752363327 0.28087649240411 0.41816103122916 15.999 12 O 0.30096247636673 0.71912350759589 0.58183896877084 15.999 13 O 0.36271546117495 0.28087649240411 0.08183896877084 15.999 14 O 0.63728453882505 0.71912350759589 0.91816103122916 15.999 15 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 16 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 17 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 20 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 21 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 22 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.576418200000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.166658940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.497374939999999 Atomic positions (fractional): 1 O 0.14592389619705 0.12071827732789 0.93303656122760 15.999 > 1 2 O 0.64592389619705 0.12071827732789 0.93303656122760 15.999 > 1 3 O 0.14592389619705 0.87928172267211 0.06696343877240 15.999 > 3 4 O 0.64592389619705 0.87928172267211 0.06696343877240 15.999 > 3 5 O 0.35407610380295 0.37928172267211 0.93303656122760 15.999 > 5 6 O 0.85407610380295 0.37928172267211 0.93303656122760 15.999 > 5 7 O 0.35407610380295 0.62071827732789 0.06696343877240 15.999 > 7 8 O 0.85407610380295 0.62071827732789 0.06696343877240 15.999 > 7 9 O 0.35407610380295 0.87928172267211 0.06696343877240 15.999 > 9 10 O 0.85407610380295 0.87928172267211 0.06696343877240 15.999 > 9 11 O 0.35407610380295 0.12071827732789 0.93303656122760 15.999 > 11 12 O 0.85407610380295 0.12071827732789 0.93303656122760 15.999 > 11 13 O 0.14592389619705 0.62071827732789 0.06696343877240 15.999 > 13 14 O 0.64592389619705 0.62071827732789 0.06696343877240 15.999 > 13 15 O 0.14592389619705 0.37928172267211 0.93303656122760 15.999 > 15 16 O 0.64592389619705 0.37928172267211 0.93303656122760 15.999 > 15 17 O 0.00000000000000 0.25000000000000 0.84322958848795 15.999 > 17 18 O 0.50000000000000 0.25000000000000 0.84322958848795 15.999 > 17 19 O 0.00000000000000 0.75000000000000 0.15677041151205 15.999 > 19 20 O 0.50000000000000 0.75000000000000 0.15677041151205 15.999 > 19 21 O 0.00000000000000 0.41816103122916 0.28087649240411 15.999 > 21 22 O 0.50000000000000 0.41816103122916 0.28087649240411 15.999 > 21 23 O 0.00000000000000 0.58183896877084 0.71912350759589 15.999 > 23 24 O 0.50000000000000 0.58183896877084 0.71912350759589 15.999 > 23 25 O 0.25000000000000 0.58183896877084 0.78087649240411 15.999 > 25 26 O 0.75000000000000 0.58183896877084 0.78087649240411 15.999 > 25 27 O 0.25000000000000 0.41816103122916 0.21912350759589 15.999 > 27 28 O 0.75000000000000 0.41816103122916 0.21912350759589 15.999 > 27 29 O 0.39592389619705 0.62071827732789 0.43303656122760 15.999 > 1 30 O 0.89592389619705 0.62071827732789 0.43303656122760 15.999 > 1 31 O 0.39592389619705 0.37928172267211 0.56696343877240 15.999 > 3 32 O 0.89592389619705 0.37928172267211 0.56696343877240 15.999 > 3 33 O 0.10407610380295 0.87928172267211 0.43303656122760 15.999 > 5 34 O 0.60407610380295 0.87928172267211 0.43303656122760 15.999 > 5 35 O 0.10407610380295 0.12071827732789 0.56696343877240 15.999 > 7 36 O 0.60407610380295 0.12071827732789 0.56696343877240 15.999 > 7 37 O 0.10407610380295 0.37928172267211 0.56696343877240 15.999 > 9 38 O 0.60407610380295 0.37928172267211 0.56696343877240 15.999 > 9 39 O 0.10407610380295 0.62071827732789 0.43303656122760 15.999 > 11 40 O 0.60407610380295 0.62071827732789 0.43303656122760 15.999 > 11 41 O 0.39592389619705 0.12071827732789 0.56696343877240 15.999 > 13 42 O 0.89592389619705 0.12071827732789 0.56696343877240 15.999 > 13 43 O 0.39592389619705 0.87928172267211 0.43303656122760 15.999 > 15 44 O 0.89592389619705 0.87928172267211 0.43303656122760 15.999 > 15 45 O 0.25000000000000 0.75000000000000 0.34322958848795 15.999 > 17 46 O 0.75000000000000 0.75000000000000 0.34322958848795 15.999 > 17 47 O 0.25000000000000 0.25000000000000 0.65677041151205 15.999 > 19 48 O 0.75000000000000 0.25000000000000 0.65677041151205 15.999 > 19 49 O 0.25000000000000 0.91816103122916 0.78087649240411 15.999 > 21 50 O 0.75000000000000 0.91816103122916 0.78087649240411 15.999 > 21 51 O 0.25000000000000 0.08183896877084 0.21912350759589 15.999 > 23 52 O 0.75000000000000 0.08183896877084 0.21912350759589 15.999 > 23 53 O 0.00000000000000 0.08183896877084 0.28087649240411 15.999 > 25 54 O 0.50000000000000 0.08183896877084 0.28087649240411 15.999 > 25 55 O 0.00000000000000 0.91816103122916 0.71912350759589 15.999 > 27 56 O 0.50000000000000 0.91816103122916 0.71912350759589 15.999 > 27 57 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 57 58 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 57 59 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 59 60 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 59 61 Na 0.37500000000000 0.75000000000000 0.75000000000000 22.990 > 61 62 Na 0.87500000000000 0.75000000000000 0.75000000000000 22.990 > 61 63 Na 0.12500000000000 0.75000000000000 0.75000000000000 22.990 > 63 64 Na 0.62500000000000 0.75000000000000 0.75000000000000 22.990 > 63 65 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 57 66 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 57 67 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 59 68 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 59 69 Na 0.12500000000000 0.25000000000000 0.25000000000000 22.990 > 61 70 Na 0.62500000000000 0.25000000000000 0.25000000000000 22.990 > 61 71 Na 0.37500000000000 0.25000000000000 0.25000000000000 22.990 > 63 72 Na 0.87500000000000 0.25000000000000 0.25000000000000 22.990 > 63 73 Te 0.25000000000000 0.00000000000000 0.00000000000000 127.600 > 73 74 Te 0.75000000000000 0.00000000000000 0.00000000000000 127.600 > 73 75 Te 0.25000000000000 0.50000000000000 0.00000000000000 127.600 > 75 76 Te 0.75000000000000 0.50000000000000 0.00000000000000 127.600 > 75 77 Te 0.37500000000000 0.75000000000000 0.25000000000000 127.600 > 77 78 Te 0.87500000000000 0.75000000000000 0.25000000000000 127.600 > 77 79 Te 0.12500000000000 0.75000000000000 0.25000000000000 127.600 > 79 80 Te 0.62500000000000 0.75000000000000 0.25000000000000 127.600 > 79 81 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 73 82 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 73 83 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 75 84 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 75 85 Te 0.12500000000000 0.25000000000000 0.75000000000000 127.600 > 77 86 Te 0.62500000000000 0.25000000000000 0.75000000000000 127.600 > 77 87 Te 0.37500000000000 0.25000000000000 0.75000000000000 127.600 > 79 88 Te 0.87500000000000 0.25000000000000 0.75000000000000 127.600 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2674720 0.0000000 0.0000000 0.0000000 4.1202081 0.0000000 0.0000000 0.0000000 3.7442554 -------------------------- Born effective charges -------------------------- 1 O -1.9338715 0.8584230 -0.5288057 0.8575228 -2.3803247 0.8767101 -0.4863052 0.8794492 -1.6023769 2 O -1.9338715 -0.8584230 0.5288057 -0.8575228 -2.3803247 0.8767101 0.4863052 0.8794492 -1.6023769 3 O -1.9338715 0.8584230 0.5288057 0.8575228 -2.3803247 -0.8767101 0.4863052 -0.8794492 -1.6023769 4 O -1.9338715 -0.8584230 -0.5288057 -0.8575228 -2.3803247 -0.8767101 -0.4863052 -0.8794492 -1.6023769 5 O -1.9338715 0.8584230 -0.5288057 0.8575228 -2.3803247 0.8767101 -0.4863052 0.8794492 -1.6023769 6 O -1.9338715 -0.8584230 0.5288057 -0.8575228 -2.3803247 0.8767101 0.4863052 0.8794492 -1.6023769 7 O -1.9338715 0.8584230 0.5288057 0.8575228 -2.3803247 -0.8767101 0.4863052 -0.8794492 -1.6023769 8 O -1.9338715 -0.8584230 -0.5288057 -0.8575228 -2.3803247 -0.8767101 -0.4863052 -0.8794492 -1.6023769 9 O -3.8180586 0.0000000 0.0000000 0.0000000 -1.2553588 0.0000000 0.0000000 0.0000000 -1.3147614 10 O -3.8180586 0.0000000 0.0000000 0.0000000 -1.2553588 0.0000000 0.0000000 0.0000000 -1.3147614 11 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 -0.1161347 0.0000000 0.1065069 -1.6636498 12 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 -0.1161347 0.0000000 0.1065069 -1.6636498 13 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 0.1161347 0.0000000 -0.1065069 -1.6636498 14 O -1.3392665 0.0000000 0.0000000 0.0000000 -1.5328001 0.1161347 0.0000000 -0.1065069 -1.6636498 15 Na 1.2016363 0.0000000 0.0000000 0.0000000 0.9832576 0.1759580 0.0000000 0.0684623 1.3620871 16 Na 1.2016363 0.0000000 0.0000000 0.0000000 0.9832576 -0.1759580 0.0000000 -0.0684623 1.3620871 17 Na 1.0596127 0.0000000 -0.1451646 0.0000000 1.2366859 0.0000000 -0.4247591 0.0000000 1.2855537 18 Na 1.0596127 0.0000000 0.1451646 0.0000000 1.2366859 0.0000000 0.4247591 0.0000000 1.2855537 19 Te 5.5754036 0.0000000 0.0000000 0.0000000 6.0005194 -1.1393930 0.0000000 -2.5151732 3.6907221 20 Te 5.5754036 0.0000000 0.0000000 0.0000000 6.0005194 1.1393930 0.0000000 2.5151732 3.6907221 21 Te 6.3954250 0.0000000 0.9271347 0.0000000 5.6217950 0.0000000 0.4939759 0.0000000 4.7132058 22 Te 6.3954250 0.0000000 -0.9271347 0.0000000 5.6217950 0.0000000 -0.4939759 0.0000000 4.7132058 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 ... Generalized regular grid: [ 1 7 70 ] Grid generation matrix: [ 0 7 7 ] [ 5 0 5 ] [ 7 7 0 ] 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: 0.64, Number of G-points: 303, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.439 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 8.159 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 8.945 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.741 ( 0.000 0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 9.887 ( 0.000 0.000 0.000) 0.000 11.367 ( 0.000 0.000 0.000) 0.000 11.438 ( 0.000 0.000 0.000) 0.000 11.478 ( 0.000 0.000 0.000) 0.000 11.941 ( 0.000 0.000 0.000) 0.000 12.015 ( 0.000 0.000 0.000) 0.000 12.180 ( 0.000 0.000 0.000) 0.000 12.244 ( 0.000 0.000 0.000) 0.000 12.736 ( 0.000 0.000 0.000) 0.000 12.934 ( 0.000 0.000 0.000) 0.000 13.151 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 14.835 ( 0.000 0.000 0.000) 0.000 18.089 ( 0.000 0.000 0.000) 0.000 18.582 ( 0.000 0.000 0.000) 0.000 19.031 ( 0.000 0.000 0.000) 0.000 19.981 ( 0.000 0.000 0.000) 0.000 19.985 ( 0.000 0.000 0.000) 0.000 20.405 ( 0.000 0.000 0.000) 0.000 20.490 ( 0.000 0.000 0.000) 0.000 21.651 ( 0.000 0.000 0.000) 0.000 22.380 ( 0.000 0.000 0.000) 0.000 23.339 ( 0.000 0.000 0.000) 0.000 23.449 ( 0.000 0.000 0.000) 0.000 23.482 ( 0.000 0.000 0.000) 0.000 23.531 ( 0.000 0.000 0.000) 0.000 23.868 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 25.664 -0.000 -25.390) 36.101 1.167 ( 25.037 -0.000 -31.413) 40.170 1.601 ( 50.564 -0.000 -27.950) 57.775 2.135 ( -6.930 0.000 -12.116) 13.958 3.022 ( -2.026 -0.000 15.066) 15.202 3.123 ( -7.169 0.000 6.716) 9.824 3.124 ( -1.021 0.000 -1.595) 1.894 3.265 ( 2.958 -0.000 -2.657) 3.977 3.563 ( 6.044 -0.000 -6.851) 9.136 3.695 ( 3.180 -0.000 -3.210) 4.519 3.872 ( 10.936 -0.000 0.256) 10.939 3.873 ( 4.219 -0.000 -0.819) 4.298 3.885 ( 5.751 -0.000 2.432) 6.245 4.276 ( -7.046 0.000 -0.110) 7.047 4.427 ( -1.555 0.000 -11.583) 11.687 4.522 ( 1.650 -0.000 -3.688) 4.040 4.585 ( -7.913 0.000 -7.357) 10.805 4.968 ( 6.904 -0.000 0.974) 6.972 5.202 ( -7.657 0.000 -1.046) 7.728 5.446 ( -9.960 0.000 0.259) 9.963 5.492 ( 1.527 -0.000 6.432) 6.611 5.739 ( -4.951 0.000 -3.910) 6.308 5.933 ( 5.318 -0.000 -5.128) 7.388 6.149 ( -1.428 0.000 -6.916) 7.062 6.368 ( -11.428 0.000 14.172) 18.206 6.551 ( 6.608 -0.000 14.964) 16.358 7.019 ( -6.204 0.000 -8.057) 10.168 7.027 ( -4.717 0.000 8.273) 9.524 7.242 ( 0.150 -0.000 2.431) 2.435 7.770 ( 6.838 -0.000 -18.671) 19.884 8.152 ( 12.511 -0.000 1.940) 12.660 8.214 ( -1.038 0.000 -0.318) 1.085 8.909 ( 1.333 -0.000 0.603) 1.463 9.137 ( 14.489 -0.000 14.968) 20.831 9.371 ( -4.927 0.000 0.338) 4.938 9.412 ( 9.242 -0.000 4.843) 10.434 9.667 ( -0.223 -0.000 7.147) 7.150 9.764 ( -1.604 0.000 -5.824) 6.040 9.948 ( 5.638 -0.000 0.815) 5.696 10.002 ( -15.250 0.000 -10.004) 18.239 11.248 ( -8.967 0.000 -2.610) 9.339 11.450 ( -10.299 0.000 -2.580) 10.617 11.580 ( 8.152 -0.000 0.417) 8.162 11.924 ( -2.628 0.000 -0.828) 2.756 11.965 ( -3.638 0.000 1.550) 3.954 12.105 ( -5.105 0.000 0.502) 5.129 12.359 ( 7.707 -0.000 -0.582) 7.729 12.553 ( -10.674 0.000 1.874) 10.838 13.020 ( 6.784 -0.000 2.344) 7.177 13.359 ( -4.096 0.000 0.564) 4.135 14.038 ( 28.967 -0.000 39.954) 49.350 15.239 ( -9.805 0.000 -0.612) 9.824 18.135 ( 0.044 0.000 -4.751) 4.751 18.676 ( 6.295 -0.000 -2.481) 6.766 18.993 ( 0.580 -0.000 4.511) 4.548 20.010 ( -0.081 0.000 -2.961) 2.962 20.246 ( 14.205 -0.000 13.233) 19.414 20.476 ( 0.776 -0.000 2.360) 2.484 21.465 ( -6.754 0.000 7.881) 10.379 22.173 ( -3.864 0.000 7.344) 8.298 22.527 ( 23.912 -0.000 10.156) 25.979 23.311 ( 1.134 -0.000 2.650) 2.883 23.487 ( -1.305 0.000 -3.929) 4.140 23.568 ( 7.340 -0.000 -0.482) 7.356 23.885 ( 0.095 0.000 -0.961) 0.966 24.073 ( -14.222 0.000 -14.206) 20.102 ======================= Grid point 2 (3/96) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 7.134 -0.000 -10.106) 12.370 2.108 ( 16.469 -0.000 -22.893) 28.202 2.327 ( -5.397 0.000 -20.800) 21.489 2.716 ( -10.659 0.000 0.761) 10.686 2.920 ( 6.731 -0.000 9.481) 11.627 2.936 ( 34.594 -0.000 -18.324) 39.148 3.131 ( 1.136 -0.000 -0.744) 1.358 3.371 ( 3.548 -0.000 -2.488) 4.333 3.753 ( 3.305 -0.000 -1.986) 3.856 3.880 ( 4.121 -0.000 -5.857) 7.162 3.967 ( 6.107 -0.000 0.856) 6.167 3.995 ( -2.682 0.000 0.572) 2.742 4.133 ( 12.576 -0.000 -7.388) 14.585 4.204 ( 4.748 -0.000 0.738) 4.805 4.422 ( -1.835 0.000 2.396) 3.018 4.650 ( 4.754 -0.000 -5.027) 6.919 4.744 ( 4.149 -0.000 -5.041) 6.528 5.007 ( -7.388 0.000 2.134) 7.690 5.091 ( 4.862 -0.000 5.651) 7.454 5.224 ( -7.922 0.000 -1.780) 8.119 5.341 ( -3.546 0.000 6.828) 7.693 5.688 ( -4.899 0.000 -2.177) 5.361 5.956 ( -9.543 0.000 8.052) 12.486 6.069 ( 0.045 0.000 -0.578) 0.580 6.368 ( -0.846 0.000 -13.990) 14.016 6.388 ( 4.910 -0.000 13.351) 14.225 6.772 ( -1.532 0.000 4.422) 4.680 7.105 ( -4.742 0.000 -13.969) 14.752 7.239 ( 2.760 -0.000 0.857) 2.890 8.064 ( 4.859 -0.000 -1.615) 5.121 8.154 ( -3.579 0.000 2.979) 4.657 8.476 ( 8.881 -0.000 -9.828) 13.246 8.841 ( -6.352 0.000 11.641) 13.262 9.012 ( -0.443 -0.000 5.118) 5.137 9.242 ( -3.658 0.000 3.978) 5.404 9.401 ( 3.012 -0.000 4.784) 5.653 9.515 ( -1.457 0.000 5.421) 5.613 10.008 ( 1.563 -0.000 -8.206) 8.354 10.033 ( 6.209 -0.000 2.492) 6.690 10.080 ( 13.332 -0.000 -9.737) 16.509 11.086 ( -13.138 0.000 -0.792) 13.162 11.249 ( -12.863 0.000 -0.700) 12.882 11.645 ( 2.226 -0.000 4.278) 4.823 11.865 ( -2.696 0.000 1.738) 3.208 11.893 ( 0.896 -0.000 -0.357) 0.964 11.964 ( -5.412 0.000 3.075) 6.225 12.369 ( -6.863 0.000 -1.222) 6.971 12.545 ( 8.631 -0.000 -1.479) 8.757 13.077 ( 4.701 -0.000 3.190) 5.681 13.221 ( -6.560 0.000 2.955) 7.195 13.788 ( 1.721 -0.000 16.107) 16.198 15.034 ( -7.415 0.000 2.890) 7.958 18.269 ( 0.228 0.000 -8.833) 8.836 18.866 ( 6.148 -0.000 -3.081) 6.876 18.882 ( 0.813 -0.000 8.478) 8.517 20.076 ( -1.588 0.000 -5.242) 5.477 20.297 ( 12.141 -0.000 8.668) 14.917 20.431 ( 1.889 -0.000 4.943) 5.292 21.210 ( -5.964 0.000 3.631) 6.982 21.865 ( -13.074 0.000 5.349) 14.126 22.849 ( 14.393 -0.000 -2.270) 14.570 23.315 ( 3.611 -0.000 1.590) 3.946 23.514 ( -3.600 0.000 -3.553) 5.058 23.742 ( 8.188 -0.000 -0.604) 8.210 23.872 ( -1.607 0.000 1.154) 1.978 24.076 ( -4.373 0.000 -5.181) 6.779 ======================= Grid point 3 (4/96) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -3.907 0.000 -1.180) 4.081 2.466 ( -3.529 0.000 -5.135) 6.231 2.624 ( 5.052 -0.000 -8.221) 9.650 2.651 ( -1.262 0.000 -0.613) 1.403 3.101 ( -1.185 0.000 -0.236) 1.208 3.109 ( 6.963 -0.000 -8.081) 10.667 3.424 ( 6.512 -0.000 -0.205) 6.515 3.718 ( 0.365 0.000 -10.185) 10.192 3.787 ( 5.339 -0.000 6.810) 8.654 3.844 ( 3.708 -0.000 -2.276) 4.351 4.036 ( 2.470 -0.000 3.461) 4.253 4.159 ( 7.179 -0.000 -0.894) 7.234 4.233 ( -1.923 0.000 8.083) 8.309 4.265 ( -3.319 0.000 -3.524) 4.841 4.480 ( 3.098 -0.000 -5.658) 6.450 4.758 ( 1.006 -0.000 1.945) 2.190 4.851 ( 2.119 -0.000 -0.165) 2.126 4.960 ( -5.599 0.000 -3.139) 6.419 5.041 ( 7.253 -0.000 -3.015) 7.855 5.272 ( 3.826 -0.000 -0.483) 3.857 5.274 ( 2.529 -0.000 -4.902) 5.516 5.582 ( -3.695 0.000 6.371) 7.365 5.639 ( -8.882 0.000 5.560) 10.479 5.925 ( -6.386 0.000 2.342) 6.802 6.266 ( 2.383 -0.000 6.140) 6.586 6.534 ( 2.206 -0.000 -2.928) 3.667 6.878 ( 0.623 0.000 -6.704) 6.733 7.346 ( 4.582 -0.000 -4.273) 6.266 7.424 ( 4.561 -0.000 -19.839) 20.357 7.948 ( -4.992 0.000 7.306) 8.849 7.988 ( -3.272 0.000 17.575) 17.877 8.394 ( -6.372 0.000 5.797) 8.614 8.760 ( 2.726 -0.000 -6.122) 6.702 8.998 ( 0.537 -0.000 0.532) 0.755 9.127 ( -0.003 -0.000 3.095) 3.095 9.357 ( -0.382 0.000 1.916) 1.954 9.430 ( -1.673 0.000 0.426) 1.727 10.103 ( 4.196 -0.000 1.234) 4.374 10.222 ( 3.190 -0.000 -5.543) 6.395 10.576 ( 18.596 -0.000 -5.793) 19.477 10.799 ( -9.561 0.000 2.406) 9.859 10.980 ( -15.704 0.000 0.092) 15.704 11.618 ( 0.668 -0.000 0.755) 1.008 11.740 ( -1.333 0.000 4.995) 5.169 11.848 ( -2.650 0.000 -0.020) 2.650 11.951 ( 2.200 -0.000 -0.184) 2.208 12.306 ( -2.739 0.000 -1.373) 3.064 12.722 ( 5.379 -0.000 -1.384) 5.554 13.019 ( -5.270 0.000 3.592) 6.377 13.093 ( 1.763 -0.000 1.520) 2.328 13.574 ( -2.671 0.000 3.669) 4.539 14.885 ( -2.538 0.000 1.676) 3.041 18.465 ( 0.200 0.000 -10.394) 10.396 18.710 ( 0.376 -0.000 10.215) 10.222 18.993 ( 2.067 -0.000 -1.326) 2.456 20.133 ( -1.744 0.000 -3.693) 4.084 20.361 ( 5.685 -0.000 3.921) 6.906 20.377 ( 1.652 -0.000 3.723) 4.074 21.150 ( 1.833 -0.000 -1.060) 2.118 21.525 ( -10.396 0.000 3.529) 10.978 23.114 ( 5.752 -0.000 -2.931) 6.456 23.385 ( 5.611 -0.000 1.037) 5.706 23.476 ( -5.515 0.000 -2.051) 5.884 23.785 ( -2.354 0.000 1.105) 2.601 23.892 ( 5.030 -0.000 0.706) 5.079 24.083 ( -1.878 0.000 -1.789) 2.593 ======================= Grid point 7 (5/96) ======================= q-point: (-0.41 -0.01 0.01) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -0.000 -5.710 -7.764) 9.638 1.835 ( -0.000 -1.055 -12.082) 12.128 2.417 ( 0.000 2.648 -2.005) 3.321 3.121 ( -0.000 1.157 -2.880) 3.104 3.232 ( -0.000 -4.080 0.959) 4.191 3.350 ( -0.000 -1.540 -1.791) 2.362 3.355 ( -0.000 -2.861 -0.164) 2.866 3.383 ( -0.000 -13.901 -5.424) 14.922 3.410 ( -0.000 -3.266 -9.796) 10.326 3.798 ( -0.000 -2.432 0.577) 2.499 3.904 ( -0.000 -1.896 0.432) 1.944 4.012 ( -0.000 -2.609 -1.041) 2.808 4.106 ( 0.000 6.420 1.574) 6.610 4.216 ( 0.000 5.389 0.050) 5.389 4.345 ( 0.000 3.916 -1.170) 4.087 4.597 ( -0.000 -4.189 1.605) 4.486 4.992 ( -0.000 -11.789 -8.464) 14.513 5.045 ( -0.000 -0.310 0.398) 0.504 5.082 ( -0.000 -4.753 -4.653) 6.652 5.229 ( 0.000 7.661 7.269) 10.561 5.327 ( 0.000 10.749 -0.508) 10.761 5.521 ( -0.000 -8.325 9.629) 12.729 5.622 ( 0.000 7.036 7.064) 9.970 5.715 ( 0.000 6.306 -0.114) 6.307 6.445 ( -0.000 0.521 -3.607) 3.645 6.839 ( 0.000 2.059 0.008) 2.059 6.912 ( -0.000 -2.843 -5.987) 6.628 7.018 ( -0.000 -4.580 3.552) 5.796 7.629 ( -0.000 -6.343 2.104) 6.683 7.966 ( 0.000 4.324 4.940) 6.565 8.230 ( -0.000 -1.365 -6.277) 6.424 8.293 ( -0.000 -3.454 0.419) 3.479 8.821 ( 0.000 5.278 1.274) 5.430 8.830 ( -0.000 12.121 -19.083) 22.607 8.969 ( 0.000 -6.726 15.815) 17.186 9.502 ( -0.000 -2.751 1.649) 3.207 9.746 ( -0.000 -3.514 -3.087) 4.677 9.848 ( -0.000 -0.044 -0.989) 0.990 10.298 ( -0.000 -5.997 -4.350) 7.409 10.567 ( -0.000 -15.836 5.932) 16.910 11.010 ( 0.000 16.166 4.135) 16.687 11.606 ( -0.000 -4.716 -2.250) 5.225 11.674 ( -0.000 -0.807 -4.066) 4.145 11.844 ( 0.000 1.987 1.111) 2.277 11.863 ( 0.000 0.190 3.410) 3.415 11.908 ( 0.000 1.821 2.462) 3.062 12.061 ( 0.000 10.900 7.446) 13.201 12.490 ( -0.000 -2.286 -3.079) 3.835 12.758 ( 0.000 1.162 2.892) 3.117 13.112 ( -0.000 -0.639 0.116) 0.649 13.413 ( 0.000 0.270 -0.213) 0.344 15.139 ( 0.000 2.556 -1.075) 2.773 18.413 ( -0.000 -0.804 -1.291) 1.520 19.076 ( -0.000 -12.996 -9.070) 15.848 19.351 ( -0.000 -10.497 9.174) 13.941 19.658 ( 0.000 11.071 7.572) 13.413 19.831 ( 0.000 7.264 -2.743) 7.765 20.302 ( 0.000 0.887 0.442) 0.991 21.127 ( 0.000 1.930 2.096) 2.849 22.276 ( 0.000 0.281 0.907) 0.949 22.343 ( -0.000 -0.267 -3.944) 3.953 23.275 ( -0.000 -1.658 0.176) 1.667 23.506 ( 0.000 0.231 1.367) 1.386 23.722 ( -0.000 -0.452 -1.297) 1.373 23.998 ( -0.000 -0.886 -0.952) 1.300 24.227 ( -0.000 -0.371 -0.162) 0.405 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.44 -0.01 0.16) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 7.638 7.862 4.138) 11.716 2.269 ( 12.575 1.131 -8.110) 15.006 2.504 ( 12.254 14.095 -4.472) 19.205 3.089 ( -8.276 1.858 -0.399) 8.491 3.182 ( -2.497 -7.968 2.265) 8.652 3.314 ( -0.688 0.804 0.006) 1.059 3.382 ( -2.641 -0.467 -6.197) 6.753 3.486 ( 2.949 10.538 -0.125) 10.944 3.585 ( 2.519 -9.697 -3.636) 10.658 3.844 ( 2.729 -3.890 -2.170) 5.224 3.924 ( 2.814 4.396 2.925) 5.983 3.968 ( -4.236 2.387 0.920) 4.948 4.137 ( 5.426 -0.123 -0.728) 5.476 4.199 ( 2.985 3.526 1.181) 4.768 4.248 ( -4.063 2.956 0.298) 5.033 4.707 ( 5.966 -5.089 2.132) 8.126 4.992 ( -1.581 0.446 3.722) 4.068 4.997 ( -9.252 -1.228 0.204) 9.336 5.124 ( 5.743 -6.948 3.016) 9.505 5.147 ( -1.519 -1.139 -4.113) 4.530 5.293 ( 3.888 0.753 2.464) 4.664 5.480 ( -5.306 2.692 2.507) 6.456 5.612 ( -0.513 1.429 0.487) 1.595 5.745 ( 1.163 6.520 -14.295) 15.754 6.495 ( 6.687 -2.374 5.869) 9.208 6.682 ( -5.348 -5.204 6.145) 9.667 7.046 ( 5.693 0.416 -0.106) 5.709 7.129 ( 0.198 6.894 -6.987) 9.817 7.580 ( -1.799 -4.964 -1.124) 5.398 7.864 ( -3.014 -3.690 1.133) 4.897 8.233 ( 0.431 -6.314 4.269) 7.634 8.367 ( -2.147 6.302 -6.539) 9.332 8.628 ( 1.252 -5.876 13.955) 15.194 8.829 ( -0.543 5.507 -0.756) 5.585 9.122 ( -1.306 9.096 -10.520) 13.968 9.508 ( 4.402 -8.374 3.498) 10.086 9.732 ( -3.777 -0.257 0.417) 3.808 9.900 ( 2.170 1.898 -1.619) 3.307 10.353 ( -0.687 -1.739 0.132) 1.874 10.474 ( -4.556 -9.204 -6.700) 12.262 10.887 ( -12.878 14.123 -3.031) 19.352 11.585 ( -11.671 0.431 1.969) 11.844 11.661 ( -0.444 -3.196 -3.063) 4.449 11.725 ( 3.781 -2.500 0.373) 4.548 11.843 ( -1.495 1.203 0.325) 1.946 11.916 ( 1.149 0.742 1.399) 1.956 12.214 ( 16.054 0.954 0.550) 16.092 12.534 ( 3.026 0.131 3.027) 4.282 12.631 ( -5.989 -2.066 -0.200) 6.338 13.132 ( 2.094 -3.893 2.772) 5.218 13.491 ( 9.554 -3.014 2.269) 10.272 15.017 ( -10.140 1.998 1.758) 10.484 18.517 ( 5.373 3.000 -2.976) 6.835 19.051 ( -3.236 -17.917 13.054) 22.403 19.187 ( -2.155 -8.013 -3.698) 9.084 19.639 ( 7.996 5.512 4.957) 10.904 19.983 ( -5.009 14.386 -13.817) 20.566 20.348 ( 4.800 0.232 -2.403) 5.373 21.102 ( 0.468 -0.530 0.599) 0.926 22.037 ( -14.236 -1.446 0.709) 14.327 22.642 ( 15.052 5.275 -2.250) 16.107 23.353 ( 7.727 -3.400 0.427) 8.453 23.517 ( 0.785 1.624 -1.313) 2.231 23.724 ( -0.638 0.050 0.305) 0.709 23.960 ( -5.886 0.954 -1.096) 6.063 24.191 ( -2.328 -0.611 0.942) 2.584 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.30 -0.01 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 7.501 7.126 2.575) 10.662 2.266 ( 6.297 -8.220 14.639) 17.931 2.689 ( -7.523 10.537 5.878) 14.219 3.033 ( -4.483 -4.572 3.337) 7.220 3.192 ( 3.116 4.011 8.516) 9.915 3.254 ( -6.443 -3.228 -1.020) 7.278 3.367 ( 3.050 4.913 -1.367) 5.942 3.469 ( 0.598 11.117 -10.564) 15.348 3.677 ( -2.709 9.058 0.166) 9.456 3.899 ( -2.176 6.383 -4.686) 8.212 3.959 ( 2.021 -0.214 -7.287) 7.565 4.123 ( 11.813 0.458 -4.173) 12.536 4.231 ( 4.527 -2.022 -0.453) 4.979 4.247 ( 9.803 9.158 4.913) 14.287 4.361 ( 9.237 0.242 -1.072) 9.302 4.652 ( -3.755 -7.947 0.206) 8.792 4.783 ( -9.613 -4.774 -0.176) 10.735 4.922 ( -0.668 2.336 2.533) 3.510 5.094 ( -6.797 -0.593 2.632) 7.313 5.255 ( -1.298 -2.521 -1.121) 3.049 5.306 ( 5.326 10.008 8.443) 14.135 5.410 ( 6.392 -5.125 -3.126) 8.769 5.688 ( -0.568 -4.355 -11.097) 11.934 5.960 ( -6.083 1.378 -7.151) 9.488 6.389 ( 8.709 -2.429 15.373) 17.835 6.551 ( -0.180 -4.710 4.055) 6.218 6.969 ( -7.375 3.675 8.086) 11.545 7.103 ( -7.227 9.594 1.774) 12.142 7.695 ( 4.214 -8.412 -4.664) 10.501 7.950 ( 5.742 -8.487 -10.011) 14.326 8.133 ( -1.452 -2.588 0.873) 3.093 8.435 ( 1.718 4.300 -3.285) 5.677 8.586 ( 7.560 -3.338 2.897) 8.757 8.801 ( -5.466 7.923 -1.600) 9.758 9.209 ( -4.962 3.400 -4.381) 7.441 9.521 ( 3.494 -12.227 2.044) 12.880 9.596 ( -3.630 2.346 4.050) 5.924 9.997 ( 4.104 5.694 -2.457) 7.437 10.285 ( -2.576 2.487 3.907) 5.300 10.591 ( -9.176 10.312 -6.249) 15.152 10.675 ( -4.045 -5.463 -5.870) 8.981 11.341 ( -11.875 0.728 0.483) 11.907 11.702 ( -1.007 -1.930 -3.431) 4.063 11.791 ( -3.019 -0.543 -0.519) 3.111 11.848 ( 5.492 -3.981 -0.904) 6.843 11.949 ( 2.862 0.134 -0.955) 3.020 12.382 ( 3.568 5.076 6.294) 8.837 12.484 ( -0.084 -6.189 -0.117) 6.190 12.655 ( 5.706 -1.520 0.304) 5.912 13.088 ( -3.404 -3.811 0.433) 5.128 13.683 ( 15.521 -13.396 2.985) 20.719 14.767 ( -11.033 7.444 0.329) 13.314 18.641 ( 1.723 -4.721 1.836) 5.350 18.821 ( 0.586 -3.032 5.421) 6.239 19.178 ( 0.600 -5.885 0.867) 5.978 19.665 ( -1.833 10.829 0.683) 11.004 20.161 ( 8.187 -2.740 -4.535) 9.752 20.586 ( 1.108 1.468 -12.696) 12.829 21.135 ( 3.504 0.788 -0.518) 3.629 21.727 ( -15.635 -4.529 0.670) 16.291 22.967 ( 13.105 5.933 -2.433) 14.590 23.473 ( 5.016 -4.322 3.051) 7.291 23.551 ( -0.499 3.975 -0.728) 4.072 23.693 ( -1.746 -2.673 1.882) 3.706 23.865 ( -4.213 2.523 -3.448) 6.000 24.120 ( -2.559 1.951 1.127) 3.410 ======================= Grid point 10 (8/96) ======================= q-point: ( 0.16 -0.01 0.44) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 2.114 -12.591 4.398) 13.503 2.205 ( 6.881 2.465 8.242) 11.016 2.503 ( -2.106 9.613 3.471) 10.436 2.667 ( -12.455 3.451 9.603) 16.102 2.902 ( -3.765 -12.379 8.531) 15.498 3.134 ( -4.956 8.482 3.470) 10.419 3.407 ( -0.161 2.462 -0.215) 2.477 3.460 ( -2.252 7.180 2.002) 7.787 3.957 ( 1.767 3.001 -12.787) 13.253 3.993 ( -5.018 -1.140 -10.010) 11.255 4.178 ( 5.633 3.188 -5.326) 8.382 4.248 ( -0.367 2.741 -2.322) 3.611 4.352 ( 7.959 3.576 2.480) 9.071 4.388 ( 1.627 -6.426 -0.532) 6.650 4.529 ( 5.954 0.217 0.310) 5.966 4.619 ( -8.197 -0.469 -0.635) 8.235 4.714 ( 6.717 1.696 -1.625) 7.116 4.844 ( -5.351 -0.105 1.778) 5.639 4.935 ( 0.195 0.872 0.917) 1.281 5.036 ( -5.958 2.995 4.739) 8.181 5.470 ( 6.724 -2.373 2.684) 7.619 5.569 ( 2.274 1.109 3.708) 4.488 5.657 ( 0.333 -11.649 -2.470) 11.913 5.972 ( -6.536 11.453 -5.282) 14.206 6.302 ( 5.391 -6.991 9.014) 12.617 6.535 ( 1.702 1.542 7.116) 7.477 6.653 ( -5.152 -2.464 -0.225) 5.715 6.903 ( -5.937 9.160 1.669) 11.043 7.839 ( 1.299 -15.257 -4.610) 15.991 8.049 ( 2.508 -4.522 2.865) 5.911 8.398 ( 3.208 7.946 -10.636) 13.659 8.548 ( 0.493 -0.505 -2.916) 3.000 8.670 ( 1.281 3.125 -0.305) 3.391 8.756 ( 0.302 0.800 -4.349) 4.432 9.106 ( 2.886 -4.251 6.706) 8.448 9.410 ( -8.259 7.200 0.022) 10.957 9.674 ( 6.803 -11.266 -0.617) 13.175 10.035 ( -4.355 10.773 3.545) 12.148 10.211 ( 4.320 -1.239 -1.612) 4.775 10.403 ( -10.605 3.945 -3.065) 11.723 10.917 ( 7.291 -0.501 -5.395) 9.084 11.094 ( -11.068 -0.966 0.820) 11.140 11.723 ( -2.309 -4.027 -1.149) 4.782 11.766 ( -0.034 2.385 -1.521) 2.829 11.920 ( 3.280 -4.351 1.333) 5.609 12.012 ( -0.763 0.453 -1.381) 1.641 12.374 ( -6.960 -8.044 1.281) 10.714 12.405 ( 8.678 10.214 3.185) 13.776 12.806 ( 10.214 0.532 0.914) 10.269 12.966 ( -7.730 -1.481 0.606) 7.894 13.974 ( 15.704 -20.870 -0.098) 26.118 14.603 ( -8.238 16.778 -1.895) 18.787 18.541 ( -1.312 -16.107 4.243) 16.709 18.804 ( 0.468 12.222 1.495) 12.322 19.234 ( 4.911 -7.856 -0.680) 9.289 19.565 ( -5.491 12.273 1.081) 13.489 20.490 ( 15.295 -3.115 -4.523) 16.251 20.727 ( -7.833 -1.833 -7.339) 10.889 21.291 ( 10.246 5.248 -1.648) 11.629 21.416 ( -14.417 -6.839 0.512) 15.965 23.233 ( 8.761 1.911 -2.557) 9.324 23.406 ( -7.176 -0.183 -0.583) 7.202 23.522 ( 0.874 -0.316 4.242) 4.343 23.585 ( -1.644 0.109 2.834) 3.279 23.942 ( 2.426 -0.284 -2.333) 3.377 24.051 ( -3.543 2.948 -0.099) 4.610 ======================= Grid point 11 (9/96) ======================= q-point: ( 0.01 -0.01 -0.41) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -12.442 -9.093 -0.000) 15.411 2.224 ( -2.254 -2.017 -0.000) 3.024 2.269 ( -2.977 -15.619 -0.000) 15.901 2.480 ( -2.110 7.805 0.000) 8.085 2.898 ( 11.758 -6.218 0.000) 13.300 3.083 ( 4.376 9.328 0.000) 10.303 3.347 ( -2.931 -0.654 -0.000) 3.003 3.473 ( 1.417 6.062 0.000) 6.226 3.942 ( -11.335 -11.036 -0.000) 15.820 4.040 ( -12.199 -11.013 -0.000) 16.435 4.191 ( -3.467 -3.055 -0.000) 4.621 4.205 ( -2.810 -0.780 -0.000) 2.916 4.287 ( -12.728 3.055 -0.000) 13.090 4.440 ( -5.660 -7.296 -0.000) 9.234 4.491 ( -0.401 4.085 0.000) 4.104 4.621 ( 3.270 -3.580 -0.000) 4.849 4.737 ( 4.968 1.563 0.000) 5.208 4.836 ( 1.724 3.568 0.000) 3.963 4.938 ( -5.439 -4.097 -0.000) 6.810 5.062 ( 8.816 7.912 0.000) 11.846 5.255 ( -2.108 -3.400 -0.000) 4.001 5.672 ( 1.213 -0.942 0.000) 1.536 5.887 ( -3.556 8.796 0.000) 9.487 5.897 ( 13.213 7.406 0.000) 15.147 6.279 ( 5.530 -10.209 -0.000) 11.610 6.409 ( -2.037 8.769 0.000) 9.002 6.689 ( 1.945 -9.709 -0.000) 9.902 6.849 ( -1.762 9.383 0.000) 9.547 7.917 ( 2.787 -19.347 -0.000) 19.546 8.034 ( -2.216 -0.294 -0.000) 2.235 8.388 ( -12.178 4.258 -0.000) 12.901 8.442 ( -4.158 -6.764 -0.000) 7.940 8.744 ( -1.907 8.398 0.000) 8.612 8.939 ( 15.560 4.096 0.000) 16.090 9.180 ( -14.052 12.268 -0.000) 18.654 9.256 ( 12.031 -6.546 0.000) 13.697 9.780 ( 5.061 -10.884 -0.000) 12.003 9.922 ( -5.662 10.840 0.000) 12.230 10.266 ( -6.868 1.712 -0.000) 7.078 10.330 ( 4.923 -6.358 -0.000) 8.041 10.944 ( -2.488 -3.384 -0.000) 4.201 11.083 ( 5.604 0.199 0.000) 5.607 11.688 ( -0.322 -3.380 -0.000) 3.395 11.866 ( 4.855 6.009 0.000) 7.725 11.970 ( 3.797 -4.085 -0.000) 5.577 12.021 ( 2.224 4.664 0.000) 5.167 12.160 ( -9.968 -8.960 -0.000) 13.403 12.583 ( 7.032 10.265 0.000) 12.443 12.801 ( -6.241 2.886 -0.000) 6.876 13.002 ( 9.854 2.093 0.000) 10.074 14.273 ( 14.331 -17.496 -0.000) 22.616 14.439 ( -12.015 24.695 0.000) 27.463 18.480 ( -0.766 -16.378 -0.000) 16.396 18.783 ( -0.459 10.242 0.000) 10.252 19.357 ( 6.557 -9.584 -0.000) 11.612 19.433 ( -6.455 14.205 0.000) 15.603 20.594 ( -11.015 2.106 -0.000) 11.214 20.859 ( 14.890 2.561 0.000) 15.109 21.146 ( -11.634 -9.335 -0.000) 14.916 21.563 ( 14.540 6.740 0.000) 16.026 23.256 ( -10.016 0.735 -0.000) 10.043 23.395 ( 5.071 -1.305 0.000) 5.236 23.490 ( -2.751 1.479 -0.000) 3.124 23.534 ( 4.195 -2.265 0.000) 4.767 23.974 ( -4.705 0.764 -0.000) 4.767 23.995 ( 1.028 -2.677 -0.000) 2.868 ======================= Grid point 12 (10/96) ======================= q-point: (-0.13 -0.01 -0.27) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -18.513 -10.250 -8.188) 22.690 2.041 ( -9.458 -10.675 -17.004) 22.193 2.387 ( 5.887 -3.563 2.212) 7.228 2.682 ( 5.218 -13.816 -12.370) 19.265 3.106 ( -3.652 -8.148 0.869) 8.971 3.215 ( 0.470 -0.964 -2.547) 2.764 3.322 ( -2.531 0.480 -3.001) 3.955 3.369 ( -0.631 -11.471 9.278) 14.767 3.610 ( -3.433 -2.614 3.621) 5.633 3.797 ( -6.821 -6.624 -0.947) 9.555 4.011 ( -11.199 0.429 -1.536) 11.312 4.119 ( -3.103 -2.816 0.002) 4.190 4.143 ( -3.889 -3.598 4.966) 7.261 4.323 ( -9.817 2.294 2.458) 10.377 4.368 ( -2.547 0.536 -0.523) 2.655 4.658 ( -7.652 -7.618 -7.708) 13.267 4.807 ( -5.193 -5.664 -7.895) 11.017 4.899 ( 7.951 1.519 0.308) 8.101 4.996 ( 1.886 3.482 -5.985) 7.177 5.162 ( 9.310 9.988 6.625) 15.177 5.373 ( 8.791 5.375 1.875) 10.473 5.562 ( -1.294 -0.090 7.270) 7.385 5.918 ( 3.568 -2.645 1.798) 4.791 6.095 ( 3.046 8.672 -3.532) 9.846 6.268 ( -5.779 6.339 6.322) 10.656 6.521 ( 5.220 -3.716 -3.257) 7.187 6.755 ( 6.657 -2.571 -5.453) 8.981 6.913 ( 5.011 -0.565 -4.865) 7.007 7.918 ( -2.066 -9.711 6.281) 11.749 7.986 ( 1.444 -9.330 0.066) 9.442 8.141 ( -10.900 5.558 -1.432) 12.318 8.372 ( -3.722 -3.769 -0.799) 5.357 8.709 ( -5.350 8.242 1.133) 9.891 8.858 ( -4.791 9.498 3.972) 11.356 9.273 ( 9.293 3.607 0.047) 9.968 9.411 ( 6.026 -6.581 -0.681) 8.949 9.713 ( -9.731 6.331 0.388) 11.616 9.886 ( -0.418 -5.920 -1.386) 6.094 10.165 ( -2.261 -2.738 -0.775) 3.635 10.457 ( 11.259 -13.992 4.212) 18.447 10.937 ( 7.244 5.527 5.086) 10.435 11.254 ( 7.823 -0.824 -4.113) 8.877 11.704 ( -1.097 -1.916 -1.298) 2.561 11.890 ( 3.598 3.704 4.213) 6.664 11.919 ( -6.563 -2.628 0.739) 7.108 12.012 ( 3.874 2.118 4.446) 6.266 12.237 ( 5.355 1.194 -5.395) 7.695 12.556 ( -6.776 0.452 -0.798) 6.837 12.791 ( 1.986 11.375 1.728) 11.675 13.168 ( 6.552 3.491 0.242) 7.428 14.022 ( -20.516 18.437 7.419) 28.563 14.612 ( 13.284 -2.638 -5.144) 14.487 18.489 ( -1.553 -14.425 -2.127) 14.663 18.796 ( -0.970 3.079 -3.222) 4.561 19.340 ( -6.137 19.367 -4.286) 20.763 19.495 ( 10.228 -11.763 2.688) 15.818 20.362 ( -7.652 6.718 4.024) 10.949 20.794 ( -4.217 -6.204 13.710) 15.628 21.135 ( 3.485 3.301 -1.413) 5.004 21.841 ( 14.711 5.510 1.591) 15.789 22.940 ( -15.792 -3.006 5.453) 16.975 23.422 ( -3.173 -2.402 -0.444) 4.004 23.517 ( 4.341 -0.962 -1.438) 4.674 23.674 ( -0.186 1.701 -4.992) 5.277 23.889 ( 0.814 -1.602 2.088) 2.755 24.025 ( 1.246 -3.768 -2.494) 4.687 ======================= Grid point 13 (11/96) ======================= q-point: (-0.27 -0.01 -0.13) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -11.683 -10.084 -12.684) 19.977 2.105 ( -25.132 -22.815 -5.232) 34.344 2.385 ( -2.552 7.123 -1.068) 7.641 2.908 ( 5.077 -19.525 -13.921) 24.512 2.980 ( 1.720 -12.680 -8.265) 15.233 3.228 ( -0.377 0.806 -3.193) 3.314 3.328 ( -3.028 -1.861 -3.257) 4.821 3.393 ( -0.546 -11.291 0.091) 11.305 3.570 ( -1.318 -1.708 6.491) 6.840 3.807 ( 1.619 -1.311 0.832) 2.243 3.943 ( -2.744 -4.381 -2.190) 5.614 3.993 ( -1.672 -4.231 -3.734) 5.886 4.086 ( -1.590 -0.603 -1.036) 1.991 4.141 ( 0.947 8.141 2.991) 8.724 4.327 ( -0.096 7.392 1.604) 7.565 4.687 ( -11.718 -8.937 -11.431) 18.651 4.855 ( 2.853 1.537 -0.224) 3.248 5.013 ( 0.691 -2.765 -2.671) 3.906 5.069 ( -2.526 -2.904 -2.404) 4.538 5.218 ( 8.268 10.633 5.401) 14.512 5.435 ( -0.425 4.628 5.094) 6.896 5.531 ( 10.487 4.606 1.760) 11.589 5.775 ( -1.081 0.997 11.161) 11.257 5.900 ( -6.033 4.069 10.956) 13.153 6.313 ( -3.196 -0.271 -13.036) 13.425 6.674 ( 6.684 1.703 -1.933) 7.164 6.997 ( -0.440 -2.432 -2.000) 3.179 7.058 ( 4.277 -6.565 1.910) 8.065 7.682 ( -1.564 -3.073 6.705) 7.540 8.008 ( 1.463 -0.988 1.139) 2.101 8.125 ( -1.793 -2.469 -6.189) 6.900 8.319 ( -1.783 -1.140 0.443) 2.162 8.567 ( -9.194 11.850 -11.611) 18.967 8.836 ( 2.808 1.968 2.350) 4.157 9.204 ( 1.287 -3.314 11.225) 11.775 9.573 ( -3.772 0.021 -1.061) 3.918 9.631 ( 2.674 -0.834 -4.864) 5.612 9.859 ( -1.801 -2.798 -0.103) 3.329 10.209 ( -0.485 -7.396 -5.139) 9.019 10.565 ( 13.845 -14.007 9.973) 22.076 11.033 ( 11.081 11.022 7.379) 17.284 11.483 ( 5.707 -1.496 -4.822) 7.620 11.661 ( -4.333 -3.806 -1.415) 5.938 11.833 ( 0.989 3.020 3.070) 4.418 11.873 ( 2.771 1.549 3.849) 4.989 11.991 ( 0.963 5.262 2.854) 6.063 12.353 ( -5.456 7.031 4.507) 9.976 12.427 ( -3.447 -1.439 -3.749) 5.292 12.742 ( 1.788 5.398 2.843) 6.357 13.204 ( -2.811 4.959 1.401) 5.870 13.523 ( -15.744 3.636 0.032) 16.158 14.965 ( 10.854 3.098 -4.818) 12.272 18.454 ( -4.120 -6.892 -0.384) 8.038 18.896 ( 0.640 -8.768 -7.675) 11.670 19.361 ( -3.010 18.273 -6.131) 19.507 19.644 ( 11.479 -4.460 5.009) 13.294 20.112 ( -3.756 -0.334 14.684) 15.160 20.408 ( -7.974 -3.443 7.134) 11.240 21.164 ( 1.170 4.501 2.366) 5.218 22.068 ( 11.737 1.341 1.065) 11.861 22.555 ( -16.130 -4.242 -0.601) 16.689 23.341 ( -5.077 -1.654 -0.003) 5.340 23.564 ( -1.513 0.239 1.561) 2.187 23.680 ( -0.040 -1.865 -2.017) 2.747 23.946 ( 4.021 -1.653 0.261) 4.356 24.157 ( 4.086 0.129 -3.114) 5.139 ======================= Grid point 14 (12/96) ======================= q-point: ( 0.17 -0.03 0.03) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 23.851 20.099) 31.191 0.961 ( 0.000 28.556 16.264) 32.863 1.699 ( 0.000 39.941 40.276) 56.722 2.398 ( 0.000 17.532 10.806) 20.594 2.722 ( -0.000 -15.990 -11.733) 19.833 3.228 ( 0.000 0.439 2.106) 2.151 3.259 ( 0.000 1.631 0.097) 1.634 3.327 ( 0.000 5.494 -1.009) 5.585 3.554 ( 0.000 7.291 2.338) 7.657 3.718 ( 0.000 5.497 1.029) 5.593 3.760 ( 0.000 1.897 1.156) 2.221 3.860 ( 0.000 2.746 0.896) 2.888 3.936 ( 0.000 6.137 -4.428) 7.567 4.303 ( -0.000 -4.816 -0.111) 4.818 4.466 ( -0.000 -5.184 -0.709) 5.232 4.544 ( -0.000 -8.753 10.299) 13.516 4.655 ( 0.000 9.178 8.597) 12.576 4.875 ( 0.000 0.991 0.896) 1.336 5.122 ( -0.000 -7.623 -0.560) 7.644 5.535 ( 0.000 0.911 -0.841) 1.240 5.573 ( 0.000 5.673 -4.492) 7.236 5.703 ( -0.000 -10.233 -3.074) 10.685 5.846 ( 0.000 -0.660 9.784) 9.806 6.224 ( -0.000 -8.771 -11.487) 14.453 6.374 ( -0.000 -7.488 -17.337) 18.885 6.848 ( -0.000 -11.655 5.620) 12.939 7.015 ( -0.000 -0.527 -2.928) 2.975 7.080 ( 0.000 23.059 -25.731) 34.551 7.556 ( 0.000 19.627 -5.341) 20.341 7.835 ( 0.000 -0.081 7.075) 7.076 7.836 ( 0.000 7.603 13.604) 15.585 8.271 ( 0.000 3.628 0.031) 3.628 8.504 ( -0.000 -18.289 12.933) 22.400 8.926 ( -0.000 -2.294 0.438) 2.335 9.297 ( -0.000 0.910 -3.908) 4.012 9.475 ( 0.000 4.071 0.320) 4.084 9.648 ( -0.000 -2.432 -0.246) 2.444 9.784 ( 0.000 0.661 1.643) 1.771 9.970 ( 0.000 6.890 1.796) 7.120 10.764 ( 0.000 18.391 -21.151) 28.028 11.407 ( -0.000 0.651 -2.069) 2.169 11.469 ( 0.000 2.316 0.938) 2.498 11.595 ( -0.000 -5.459 -0.953) 5.541 11.879 ( -0.000 -3.246 0.048) 3.246 12.105 ( -0.000 -4.260 -2.639) 5.011 12.117 ( -0.000 3.175 -7.783) 8.406 12.269 ( 0.000 0.049 4.031) 4.032 12.625 ( -0.000 -7.066 -6.274) 9.450 12.900 ( -0.000 -2.274 -1.183) 2.563 13.099 ( -0.000 -4.001 1.067) 4.141 13.402 ( -0.000 -0.815 0.640) 1.036 15.070 ( -0.000 -12.636 12.864) 18.032 18.221 ( 0.000 8.410 3.199) 8.998 18.632 ( 0.000 3.856 2.458) 4.573 19.618 ( -0.000 -4.045 -10.586) 11.333 19.968 ( -0.000 -1.433 -1.321) 1.949 20.065 ( 0.000 28.493 -25.901) 38.506 20.413 ( -0.000 -5.564 -1.428) 5.745 21.417 ( -0.000 -8.797 -6.808) 11.124 22.071 ( 0.000 9.045 1.951) 9.253 22.350 ( -0.000 -1.457 -1.280) 1.940 23.312 ( -0.000 0.636 -2.981) 3.049 23.504 ( 0.000 2.635 1.213) 2.900 23.580 ( 0.000 4.065 2.316) 4.678 23.908 ( 0.000 2.418 1.177) 2.690 24.215 ( -0.000 -5.634 4.485) 7.201 ======================= Grid point 15 (13/96) ======================= q-point: ( 0.03 -0.03 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 19.832 25.373 0.000) 32.204 1.031 ( 26.214 22.958 0.000) 34.846 1.813 ( 45.902 38.142 0.000) 59.681 2.233 ( -4.540 20.306 0.000) 20.807 2.841 ( -3.606 -15.882 -0.000) 16.286 3.236 ( 2.745 0.190 0.000) 2.752 3.289 ( -3.284 6.414 0.000) 7.206 3.327 ( 2.447 -0.357 0.000) 2.473 3.482 ( 3.143 6.150 0.000) 6.906 3.719 ( -1.007 2.429 0.000) 2.630 3.854 ( 8.844 -2.111 0.000) 9.092 3.915 ( 5.649 4.059 0.000) 6.956 4.012 ( 1.584 5.561 0.000) 5.782 4.266 ( -2.767 -0.987 -0.000) 2.938 4.319 ( -2.915 6.051 0.000) 6.716 4.445 ( -1.513 -3.677 -0.000) 3.977 4.561 ( 1.294 7.160 0.000) 7.276 4.938 ( 5.913 -2.506 0.000) 6.422 5.096 ( -3.405 -5.240 -0.000) 6.249 5.495 ( -6.048 3.538 -0.000) 7.007 5.599 ( -5.094 -1.667 -0.000) 5.360 5.634 ( -0.901 -3.235 -0.000) 3.358 5.894 ( 9.621 2.459 0.000) 9.930 6.202 ( -10.109 -4.497 -0.000) 11.064 6.703 ( -3.807 -7.794 -0.000) 8.674 6.708 ( -29.517 10.767 -0.000) 31.420 6.740 ( -3.698 -4.404 -0.000) 5.750 6.925 ( 2.989 -9.107 -0.000) 9.585 7.585 ( -3.517 23.775 0.000) 24.034 7.700 ( 5.877 12.234 0.000) 13.573 8.139 ( 6.072 -7.785 -0.000) 9.874 8.266 ( -0.268 4.364 0.000) 4.372 8.754 ( 20.062 -21.079 -0.000) 29.100 8.955 ( 7.981 -10.786 -0.000) 13.418 9.402 ( -6.263 3.383 -0.000) 7.118 9.474 ( 13.403 0.685 0.000) 13.420 9.572 ( -5.905 -2.435 -0.000) 6.387 9.774 ( -0.082 2.334 0.000) 2.336 10.007 ( 4.879 4.664 0.000) 6.749 10.512 ( -29.739 28.500 0.000) 41.190 11.234 ( -12.330 0.368 -0.000) 12.335 11.388 ( -6.567 -2.031 -0.000) 6.874 11.575 ( 8.189 -0.283 0.000) 8.194 11.855 ( -1.450 -2.036 -0.000) 2.499 12.068 ( -3.781 -3.525 -0.000) 5.170 12.102 ( -5.067 7.621 0.000) 9.151 12.309 ( 5.321 -4.235 0.000) 6.801 12.560 ( -8.933 -1.536 -0.000) 9.064 12.981 ( 4.886 -5.904 -0.000) 7.664 13.339 ( -4.125 -2.286 -0.000) 4.716 14.262 ( 45.820 -52.132 -0.000) 69.406 14.707 ( -13.141 2.426 -0.000) 13.363 18.193 ( 0.246 9.996 0.000) 9.999 18.666 ( 5.338 2.185 0.000) 5.768 19.514 ( -22.805 23.033 0.000) 32.413 19.688 ( 1.454 -23.515 -0.000) 23.560 20.443 ( 1.798 -5.574 -0.000) 5.857 20.628 ( 3.855 12.236 0.000) 12.829 21.447 ( -7.069 -9.668 -0.000) 11.977 22.204 ( -8.663 -4.305 -0.000) 9.674 22.697 ( 25.907 -10.114 0.000) 27.811 23.369 ( 0.607 1.949 0.000) 2.041 23.533 ( -0.764 0.544 -0.000) 0.938 23.541 ( 3.602 1.072 0.000) 3.758 23.879 ( -11.553 11.709 0.000) 16.449 23.907 ( 1.003 2.860 0.000) 3.031 ======================= Grid point 16 (14/96) ======================= q-point: (-0.11 -0.03 0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 25.749 4.257 -17.095) 31.199 1.775 ( 17.120 12.818 -16.716) 27.144 2.147 ( -6.702 15.611 -10.764) 20.112 2.609 ( 1.651 -0.717 3.273) 3.735 2.857 ( 23.854 8.477 -9.457) 27.024 3.138 ( -0.920 7.225 8.405) 11.121 3.255 ( 3.880 0.647 6.464) 7.566 3.345 ( 2.918 0.146 -1.302) 3.199 3.636 ( 1.878 -3.272 -1.342) 4.004 3.748 ( 3.997 -0.700 -3.339) 5.255 4.025 ( 7.937 0.485 -1.350) 8.066 4.057 ( 6.198 3.310 -1.412) 7.167 4.077 ( 3.981 3.361 3.076) 6.050 4.266 ( 4.097 3.654 -0.754) 5.541 4.429 ( 2.801 -0.489 -0.482) 2.884 4.493 ( 8.214 3.279 -8.145) 12.023 4.697 ( 1.415 6.563 -9.331) 11.496 4.964 ( -9.133 -3.717 -0.032) 9.861 5.084 ( 4.672 -4.534 -2.772) 7.076 5.273 ( -7.610 -1.148 6.624) 10.154 5.452 ( -10.301 -1.080 0.561) 10.373 5.588 ( -1.305 -4.721 4.670) 6.768 5.966 ( -2.357 -6.223 6.526) 9.321 6.151 ( 3.256 1.581 -4.432) 5.722 6.274 ( -6.838 9.099 -0.115) 11.383 6.518 ( -0.763 -8.198 8.010) 11.487 6.761 ( -6.608 -3.180 -11.748) 13.849 6.953 ( -2.537 -1.627 3.907) 4.934 7.487 ( -2.703 21.451 1.889) 21.703 7.947 ( 6.799 1.037 -6.473) 9.445 8.259 ( -0.374 6.345 -0.275) 6.362 8.290 ( 10.110 -6.493 -0.546) 12.027 8.864 ( 1.651 -6.659 1.133) 6.953 9.107 ( 4.815 -12.691 8.657) 16.100 9.299 ( -6.712 4.092 -1.493) 8.002 9.355 ( -3.884 -5.522 3.751) 7.723 9.722 ( -1.306 3.226 1.035) 3.631 9.879 ( 13.580 -3.175 -5.015) 14.821 10.087 ( 1.359 9.367 1.784) 9.632 10.145 ( -0.834 12.123 1.869) 12.294 11.025 ( -10.835 -2.871 0.147) 11.210 11.242 ( -9.709 0.234 -1.367) 9.807 11.701 ( 2.501 -1.438 0.440) 2.918 11.865 ( 2.950 1.729 0.043) 3.420 11.938 ( -5.110 1.254 3.806) 6.493 12.008 ( -3.433 0.066 0.873) 3.543 12.297 ( -8.201 -3.670 -2.802) 9.412 12.542 ( 7.196 1.344 -0.675) 7.351 13.014 ( 0.676 -9.813 2.103) 10.058 13.221 ( -7.532 -1.879 -0.003) 7.763 14.167 ( -3.503 2.441 16.353) 16.901 14.829 ( -1.125 -21.519 -3.972) 21.911 18.240 ( 0.420 9.856 -4.352) 10.783 18.809 ( 6.090 0.200 -2.015) 6.418 19.209 ( -6.199 15.784 4.401) 17.520 19.759 ( 1.577 -19.923 -3.697) 20.325 20.467 ( 4.585 -3.774 4.209) 7.278 20.625 ( 8.493 9.833 10.683) 16.821 21.224 ( -9.958 -4.354 1.393) 10.957 21.927 ( -14.389 -3.148 3.271) 15.088 22.918 ( 17.317 -0.618 8.990) 19.521 23.367 ( 1.931 2.307 1.076) 3.195 23.486 ( -3.408 2.472 -1.861) 4.603 23.698 ( 2.329 -0.739 -5.120) 5.673 23.878 ( 0.898 -0.293 -1.475) 1.751 23.957 ( -0.923 2.801 -4.621) 5.482 ======================= Grid point 17 (15/96) ======================= q-point: (-0.26 -0.03 0.46) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -4.029 12.872 -4.351) 14.172 2.347 ( 11.228 0.559 -12.639) 16.915 2.434 ( -3.541 16.445 -13.507) 21.573 2.654 ( 8.409 -2.066 -10.026) 13.247 3.017 ( 2.472 1.240 3.798) 4.698 3.198 ( 5.427 2.308 7.527) 9.562 3.385 ( 3.078 -6.801 -8.694) 11.459 3.423 ( 3.980 -1.169 -1.834) 4.536 3.737 ( 5.267 -6.847 -0.216) 8.641 3.911 ( 7.786 -3.406 0.420) 8.508 4.016 ( 3.405 3.428 4.385) 6.525 4.139 ( 0.477 0.442 -2.885) 2.958 4.293 ( 7.171 3.562 -1.672) 8.180 4.388 ( 1.312 2.337 0.562) 2.739 4.445 ( 9.156 1.862 3.601) 10.013 4.700 ( -7.599 -0.868 -0.771) 7.688 4.774 ( -1.773 -5.055 0.087) 5.357 4.982 ( 3.374 -3.357 0.753) 4.819 5.029 ( -2.377 8.601 -6.314) 10.931 5.238 ( -4.127 -0.474 0.285) 4.164 5.256 ( 2.401 -4.207 -2.436) 5.422 5.479 ( -1.760 -3.831 -0.645) 4.265 5.727 ( -4.962 -2.195 7.092) 8.929 6.040 ( -5.379 -2.594 12.126) 13.517 6.431 ( 0.359 6.455 -13.023) 14.539 6.499 ( 3.769 4.348 0.352) 5.765 6.843 ( 2.905 -0.607 2.887) 4.140 6.974 ( 0.042 -5.354 -18.578) 19.334 7.428 ( 0.612 13.722 1.921) 13.870 8.065 ( -0.036 -0.349 0.760) 0.837 8.230 ( 2.509 3.525 7.802) 8.921 8.448 ( -8.638 -1.203 -0.854) 8.763 8.702 ( 2.864 -7.666 11.246) 13.908 8.932 ( -0.726 -7.875 2.546) 8.308 9.196 ( -5.832 5.755 -4.240) 9.225 9.373 ( 2.575 -2.343 0.869) 3.589 9.592 ( -3.747 7.322 5.256) 9.761 10.107 ( 4.527 2.563 -7.840) 9.409 10.187 ( 5.290 2.155 3.289) 6.591 10.336 ( 12.599 -10.594 -3.141) 16.759 10.833 ( -1.754 -0.281 2.430) 3.010 11.021 ( -13.447 2.293 1.809) 13.761 11.667 ( -0.483 1.333 2.485) 2.861 11.800 ( -2.240 -1.427 -0.559) 2.714 11.902 ( -2.753 2.967 3.448) 5.317 11.968 ( 3.286 1.575 0.658) 3.703 12.255 ( -2.497 0.383 -4.342) 5.023 12.707 ( 5.451 0.544 -1.637) 5.718 12.937 ( -4.143 -11.336 2.239) 12.275 13.069 ( -6.810 -2.460 -0.416) 7.252 13.833 ( -8.420 14.553 4.797) 17.484 14.795 ( -0.150 -14.681 3.158) 15.018 18.375 ( 0.779 9.686 -8.369) 12.825 18.943 ( 3.456 -1.854 -1.585) 4.230 19.019 ( -2.511 10.767 7.655) 13.447 19.871 ( 0.512 -15.188 -5.417) 16.133 20.458 ( 5.621 -1.839 7.527) 9.572 20.519 ( -0.642 2.414 8.544) 8.901 21.146 ( 2.013 2.283 -2.310) 3.821 21.571 ( -13.703 -2.439 3.552) 14.365 23.119 ( 11.402 2.192 1.247) 11.677 23.413 ( 1.300 0.054 -0.526) 1.404 23.445 ( -2.676 2.592 -1.749) 4.115 23.769 ( -2.405 -2.389 -1.935) 3.903 23.914 ( 2.250 1.120 1.222) 2.795 24.018 ( 1.093 -2.001 -1.840) 2.930 ======================= Grid point 18 (16/96) ======================= q-point: (-0.40 -0.03 0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 3.724 13.272 -1.514) 13.868 2.541 ( -3.385 7.764 -6.371) 10.598 2.595 ( 4.621 -0.184 -1.072) 4.748 2.888 ( 0.050 13.230 -0.378) 13.236 3.073 ( 3.033 -2.516 -0.225) 3.948 3.209 ( 5.615 -3.118 5.497) 8.454 3.408 ( -5.990 -1.484 -1.064) 6.262 3.608 ( 1.596 -4.140 -6.872) 8.180 3.734 ( 2.177 -11.480 9.059) 14.785 3.896 ( -3.706 -3.842 2.999) 6.123 4.014 ( 5.635 -1.184 2.018) 6.102 4.140 ( -6.802 0.828 -2.502) 7.295 4.240 ( -6.022 4.150 4.555) 8.616 4.383 ( -0.989 4.249 2.261) 4.913 4.543 ( 1.673 -1.140 0.829) 2.187 4.646 ( -1.610 -5.237 -2.440) 5.998 4.758 ( 6.663 -2.213 1.398) 7.159 4.948 ( -7.357 -0.964 -6.716) 10.008 5.148 ( -5.308 -6.107 -2.299) 8.412 5.177 ( 4.368 1.357 0.289) 4.583 5.370 ( 4.086 -1.974 -0.600) 4.577 5.527 ( 0.908 -0.189 -1.140) 1.469 5.605 ( -4.699 3.629 5.096) 7.824 5.732 ( 3.203 -4.962 3.558) 6.895 6.494 ( -2.656 12.220 -2.347) 12.724 6.590 ( -2.450 9.025 -2.414) 9.658 6.953 ( 7.005 -1.662 1.074) 7.279 7.354 ( -0.937 -6.568 -5.957) 8.916 7.530 ( 8.190 1.971 -13.854) 16.214 7.786 ( -10.670 -4.544 18.955) 22.221 8.009 ( -0.907 11.972 -0.257) 12.010 8.316 ( -0.584 0.515 -1.298) 1.514 8.749 ( 4.972 -8.673 4.565) 10.989 8.897 ( 0.942 -9.840 0.396) 9.893 9.179 ( -4.195 5.252 -2.972) 7.349 9.401 ( -2.759 9.828 -3.096) 10.667 9.495 ( 5.349 1.813 4.438) 7.183 10.128 ( -4.982 -0.290 2.120) 5.422 10.273 ( 2.362 0.382 0.182) 2.399 10.573 ( 3.851 -12.335 2.016) 13.078 10.692 ( -8.617 -0.848 -1.927) 8.871 10.981 ( 16.435 0.552 2.041) 16.570 11.631 ( -0.352 2.035 0.939) 2.269 11.790 ( -2.608 2.347 -0.445) 3.537 11.822 ( 0.967 3.071 -0.220) 3.227 11.966 ( -1.784 0.837 0.179) 1.978 12.326 ( 3.157 2.338 -0.859) 4.021 12.766 ( -4.116 1.617 -0.147) 4.425 12.806 ( -4.986 -10.825 -2.890) 12.264 13.036 ( 1.159 -2.213 -1.618) 2.977 13.683 ( -5.655 14.666 -3.104) 16.022 14.775 ( 4.361 -10.936 2.174) 11.972 18.562 ( 0.682 8.264 -7.771) 11.364 18.819 ( -2.445 10.594 6.361) 12.597 18.996 ( 1.101 -1.279 1.019) 1.972 19.977 ( 1.493 -13.594 -3.482) 14.112 20.309 ( -9.701 -1.477 1.779) 9.973 20.410 ( 1.702 0.257 4.792) 5.092 21.204 ( -3.669 2.045 2.012) 4.657 21.449 ( 8.547 -0.632 -3.062) 9.101 23.185 ( -4.056 0.173 2.600) 4.821 23.389 ( -1.646 2.240 -1.132) 3.002 23.524 ( 6.525 2.128 1.181) 6.964 23.748 ( -0.243 -2.344 -1.079) 2.592 23.870 ( -5.895 -0.338 -0.618) 5.937 24.083 ( 4.186 -2.178 1.032) 4.830 ======================= Grid point 20 (17/96) ======================= q-point: ( 0.46 -0.03 -0.26) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -1.635 11.717 4.468) 12.646 2.454 ( -12.341 1.734 5.996) 13.830 2.646 ( 4.589 -5.538 8.247) 10.943 2.812 ( -0.265 12.339 12.440) 17.523 2.836 ( -4.038 -5.682 8.001) 10.612 3.183 ( 3.430 2.259 1.061) 4.242 3.293 ( -5.214 6.722 2.308) 8.814 3.443 ( -8.023 -1.271 6.088) 10.151 3.799 ( -1.605 1.933 1.689) 3.028 3.828 ( -5.205 -6.200 5.364) 9.711 3.915 ( 3.555 -4.940 -0.518) 6.108 4.057 ( -7.904 0.007 -3.028) 8.464 4.155 ( -8.257 5.398 -0.800) 9.897 4.277 ( -0.077 -1.961 -0.534) 2.034 4.437 ( -2.936 -6.218 4.432) 8.181 4.739 ( -1.906 6.316 0.888) 6.656 4.803 ( 2.133 1.568 -0.884) 2.791 4.945 ( 1.064 0.629 -0.093) 1.239 5.058 ( -5.166 4.055 -3.061) 7.246 5.269 ( 2.755 -0.438 -2.312) 3.624 5.308 ( 0.666 3.133 6.391) 7.148 5.541 ( 2.399 -10.732 -3.850) 11.652 5.701 ( 6.658 -7.839 -4.720) 11.317 5.857 ( 0.234 -7.703 -8.970) 11.826 6.477 ( -3.221 13.034 3.049) 13.768 6.568 ( 1.805 7.180 -1.970) 7.661 6.905 ( 2.604 -0.637 12.582) 12.864 7.238 ( -7.867 0.077 4.810) 9.222 7.397 ( 1.423 4.083 5.383) 6.905 7.988 ( 2.550 -4.217 -8.835) 10.117 8.110 ( 3.587 6.148 -6.076) 9.359 8.363 ( -5.563 -2.797 -6.093) 8.712 8.771 ( 9.518 -5.052 2.211) 11.000 8.917 ( 1.397 -7.408 1.018) 7.607 9.126 ( -4.736 -0.980 -0.689) 4.885 9.430 ( -1.771 13.222 -4.667) 14.133 9.559 ( 5.079 3.688 0.880) 6.338 9.986 ( -7.071 -2.052 0.159) 7.364 10.198 ( -1.543 2.599 5.779) 6.522 10.271 ( -7.040 1.551 9.029) 11.553 10.943 ( 13.198 -10.315 -4.053) 17.233 11.295 ( 14.866 1.177 0.178) 14.913 11.615 ( -1.321 2.334 -1.281) 2.972 11.781 ( -0.853 0.966 -3.755) 3.970 11.878 ( -0.407 -1.199 -0.708) 1.451 11.945 ( 2.075 0.951 -1.287) 2.621 12.387 ( 3.588 0.576 1.107) 3.799 12.590 ( -8.720 1.068 1.746) 8.956 12.843 ( -4.619 -10.840 -6.803) 13.605 13.144 ( 3.484 0.407 -4.218) 5.486 13.668 ( -8.456 8.536 -7.520) 14.175 14.900 ( 10.505 -8.446 0.612) 13.493 18.510 ( -2.291 4.332 8.010) 9.390 18.860 ( -0.031 14.030 -6.739) 15.564 18.954 ( -1.199 4.056 -0.209) 4.235 20.006 ( 1.412 -14.459 7.651) 16.419 20.130 ( -10.364 -5.128 -8.468) 14.332 20.377 ( -2.134 2.299 -1.996) 3.718 21.146 ( 0.246 -0.464 -1.649) 1.731 21.771 ( 14.012 0.303 -3.953) 14.562 22.926 ( -12.626 -2.570 5.752) 14.110 23.338 ( -3.757 4.882 -0.131) 6.161 23.607 ( 5.086 2.285 2.968) 6.316 23.719 ( -9.492 -1.428 -2.176) 9.843 23.844 ( 5.167 -1.475 -0.324) 5.383 24.127 ( 3.324 -0.582 1.862) 3.854 ======================= Grid point 21 (18/96) ======================= q-point: ( 0.31 -0.03 -0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -17.187 -1.485 26.414) 31.548 1.759 ( -30.894 11.178 15.490) 36.323 2.400 ( 1.338 8.494 12.789) 15.411 2.655 ( -3.658 12.770 24.443) 27.819 2.692 ( -2.753 1.279 5.929) 6.661 3.132 ( 9.137 8.134 -2.581) 12.502 3.227 ( 2.236 3.811 0.129) 4.421 3.329 ( -1.923 1.338 1.199) 2.632 3.625 ( -5.768 -6.513 1.271) 8.792 3.750 ( -1.858 4.067 -0.275) 4.480 3.855 ( -7.021 2.594 1.027) 7.555 3.933 ( -6.921 2.795 2.139) 7.764 4.037 ( -1.744 6.483 4.323) 7.985 4.260 ( 1.648 -2.535 -0.046) 3.024 4.444 ( 1.560 -2.994 -0.216) 3.383 4.576 ( 0.766 -1.282 3.504) 3.809 4.796 ( -1.254 7.028 2.665) 7.620 4.972 ( -5.324 2.370 0.714) 5.872 5.065 ( 2.119 -4.038 -2.892) 5.400 5.382 ( 9.635 -5.191 -2.315) 11.186 5.444 ( 3.462 4.112 -6.065) 8.104 5.639 ( 0.978 -9.294 -2.497) 9.674 5.891 ( 3.275 -10.472 -3.589) 11.544 6.066 ( -3.387 -8.593 -16.126) 18.583 6.284 ( -2.553 2.701 11.878) 12.446 6.575 ( 7.314 11.629 1.543) 13.824 6.916 ( 3.574 4.550 -4.438) 7.292 7.038 ( -2.761 -3.565 3.857) 5.933 7.442 ( 1.146 16.445 -4.370) 17.054 7.989 ( 0.041 -1.147 6.173) 6.279 8.206 ( -8.420 -5.694 6.655) 12.150 8.254 ( 0.516 4.258 -1.927) 4.702 8.795 ( -4.786 -9.669 7.032) 12.878 8.932 ( -0.142 -6.056 0.117) 6.059 9.177 ( -0.543 -1.324 -11.866) 11.952 9.467 ( -0.301 7.811 -0.805) 7.858 9.625 ( -0.767 2.872 -1.799) 3.475 9.845 ( -2.544 -1.510 2.885) 4.132 10.052 ( -2.254 7.911 4.476) 9.364 10.256 ( 12.398 14.239 -5.270) 19.602 11.240 ( 10.662 -7.755 -1.270) 13.245 11.458 ( 6.258 0.171 2.418) 6.711 11.602 ( -3.368 2.572 0.433) 4.260 11.870 ( 0.809 -2.077 0.175) 2.236 11.928 ( 4.374 -2.236 -7.046) 8.590 12.053 ( 2.218 -1.211 -2.458) 3.525 12.394 ( -5.052 1.286 3.318) 6.180 12.470 ( 2.524 -3.741 -4.314) 6.243 12.867 ( -4.460 -6.871 -5.279) 9.745 13.273 ( -1.770 -2.146 -5.432) 6.103 13.556 ( -19.012 0.171 -7.509) 20.442 15.095 ( 10.429 -9.341 3.116) 14.343 18.326 ( -1.625 5.547 6.254) 8.516 18.755 ( -4.575 4.427 4.389) 7.733 19.188 ( 5.703 23.993 -13.675) 28.199 19.856 ( 1.040 -16.628 6.744) 17.973 20.134 ( -10.049 -0.716 -9.330) 13.731 20.390 ( -1.894 -1.037 -3.092) 3.771 21.259 ( 2.737 -4.523 -5.856) 7.889 22.080 ( 9.192 -0.061 -2.351) 9.488 22.523 ( -16.056 -0.647 4.668) 16.734 23.291 ( -2.614 2.675 -1.893) 4.192 23.571 ( -4.645 -0.296 0.819) 4.725 23.622 ( 0.774 3.737 2.508) 4.566 23.920 ( 2.041 0.994 0.956) 2.463 24.171 ( 5.765 -1.217 2.236) 6.302 ======================= Grid point 22 (19/96) ======================= q-point: (-0.24 -0.04 0.04) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -0.000 -12.005 -21.647) 24.753 1.419 ( -0.000 0.432 -29.425) 29.428 2.407 ( -0.000 -17.774 -19.576) 26.441 2.619 ( -0.000 4.431 -14.038) 14.721 2.669 ( -0.000 -15.328 -16.617) 22.606 3.263 ( -0.000 0.360 -0.692) 0.780 3.280 ( -0.000 -4.017 -1.177) 4.186 3.319 ( -0.000 -1.643 -0.901) 1.873 3.497 ( 0.000 3.380 4.646) 5.745 3.733 ( -0.000 -5.330 1.149) 5.453 3.785 ( -0.000 -5.117 -1.222) 5.261 3.887 ( -0.000 -3.044 -2.036) 3.662 3.984 ( -0.000 -14.088 -8.798) 16.609 4.290 ( 0.000 5.739 1.457) 5.921 4.452 ( 0.000 5.011 0.564) 5.043 4.619 ( 0.000 8.161 1.207) 8.250 4.784 ( -0.000 -9.259 -2.384) 9.562 4.904 ( -0.000 -3.577 -2.172) 4.185 5.085 ( 0.000 5.260 3.176) 6.145 5.473 ( -0.000 -9.599 6.246) 11.452 5.534 ( 0.000 10.020 -1.044) 10.074 5.614 ( 0.000 11.630 6.355) 13.253 5.961 ( 0.000 12.280 2.786) 12.592 5.977 ( 0.000 7.391 13.411) 15.313 6.267 ( -0.000 -2.140 -9.054) 9.304 6.694 ( -0.000 -20.096 5.968) 20.963 6.922 ( 0.000 7.732 -1.005) 7.797 6.997 ( -0.000 -3.567 4.477) 5.724 7.456 ( -0.000 -17.171 4.317) 17.705 8.010 ( -0.000 0.394 -11.231) 11.238 8.097 ( -0.000 3.119 -7.359) 7.993 8.259 ( -0.000 -3.590 1.602) 3.931 8.720 ( 0.000 12.257 -14.172) 18.737 8.940 ( 0.000 4.683 -1.065) 4.802 9.167 ( 0.000 0.167 10.451) 10.452 9.445 ( -0.000 -8.046 4.246) 9.098 9.632 ( -0.000 -2.237 0.070) 2.239 9.823 ( -0.000 1.194 -2.377) 2.660 10.031 ( -0.000 -8.572 -4.727) 9.789 10.436 ( -0.000 -16.604 12.590) 20.837 11.367 ( 0.000 7.879 2.553) 8.282 11.494 ( -0.000 -2.519 -1.546) 2.955 11.596 ( -0.000 0.681 -1.439) 1.592 11.881 ( 0.000 2.933 0.101) 2.935 11.995 ( 0.000 0.552 5.615) 5.642 12.035 ( 0.000 2.821 4.636) 5.427 12.351 ( -0.000 -2.586 -4.302) 5.019 12.475 ( 0.000 10.268 8.970) 13.634 12.852 ( 0.000 0.858 3.717) 3.815 13.104 ( 0.000 -0.496 0.945) 1.068 13.415 ( 0.000 0.556 -0.552) 0.783 15.209 ( 0.000 8.956 -2.829) 9.393 18.306 ( -0.000 -4.067 -5.473) 6.819 18.705 ( -0.000 -6.792 -5.294) 8.612 19.259 ( -0.000 -28.490 19.692) 34.633 19.928 ( 0.000 4.108 2.995) 5.084 19.957 ( 0.000 11.287 -5.146) 12.405 20.374 ( 0.000 3.375 2.655) 4.294 21.286 ( 0.000 5.344 6.716) 8.583 22.197 ( -0.000 -1.115 -9.300) 9.367 22.317 ( 0.000 0.683 2.103) 2.211 23.261 ( 0.000 -1.567 2.369) 2.840 23.516 ( -0.000 -1.052 -0.054) 1.053 23.637 ( -0.000 -3.457 -3.550) 4.955 23.939 ( -0.000 -1.598 -2.088) 2.629 24.240 ( 0.000 1.882 0.700) 2.008 ======================= Grid point 23 (20/96) ======================= q-point: (-0.39 -0.04 0.19) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 9.701 -0.105 -13.263) 16.432 2.061 ( 21.192 1.222 -16.552) 26.918 2.586 ( 5.065 13.122 -13.069) 19.200 2.893 ( -5.532 -11.795 -10.216) 16.555 3.015 ( -16.442 -1.244 -5.341) 17.333 3.171 ( 6.883 -14.839 -10.736) 19.567 3.267 ( -4.587 -1.549 -4.498) 6.608 3.345 ( 2.085 0.528 -0.575) 2.226 3.636 ( 10.500 7.850 0.434) 13.118 3.754 ( 3.211 -0.688 -1.766) 3.729 3.887 ( 5.452 -5.344 -1.833) 7.851 3.986 ( 6.226 -3.546 -3.387) 7.926 4.097 ( -6.490 -0.599 -0.706) 6.555 4.269 ( 1.416 2.494 -1.154) 3.091 4.425 ( -1.839 6.209 2.292) 6.869 4.632 ( 7.536 -6.698 -2.943) 10.504 4.783 ( 2.169 -8.492 1.936) 8.976 4.976 ( 1.328 -4.421 0.321) 4.627 5.022 ( -1.698 -0.586 0.823) 1.976 5.263 ( -2.693 -1.115 7.656) 8.192 5.439 ( -6.755 5.965 -1.373) 9.116 5.558 ( -0.042 8.303 3.650) 9.069 5.805 ( 0.529 7.197 9.668) 12.064 5.834 ( -1.155 11.692 2.168) 11.948 6.420 ( 2.289 -8.685 -2.164) 9.239 6.664 ( -7.541 -5.609 1.125) 9.465 6.945 ( -1.150 -0.284 -13.762) 13.813 7.062 ( 9.833 -0.109 0.770) 9.864 7.413 ( -0.156 -9.894 -1.198) 9.967 8.036 ( -2.067 4.286 7.418) 8.813 8.177 ( -2.843 -4.605 3.481) 6.434 8.277 ( 2.652 2.788 -5.959) 7.094 8.875 ( -1.329 1.147 14.020) 14.129 8.949 ( -1.645 6.812 -1.877) 7.255 9.077 ( 1.017 7.399 -13.315) 15.267 9.375 ( 3.052 -13.807 6.931) 15.748 9.635 ( -2.425 -4.218 -2.391) 5.421 9.893 ( 2.311 2.751 -2.575) 4.420 10.173 ( 2.877 -7.984 -7.199) 11.129 10.222 ( -3.811 -6.092 -1.506) 7.342 11.204 ( -11.523 13.131 1.950) 17.578 11.514 ( -4.885 -2.245 -3.173) 6.243 11.599 ( -1.745 -3.663 0.692) 4.116 11.791 ( -2.736 2.062 6.857) 7.665 11.871 ( -0.235 1.713 0.047) 1.730 11.992 ( -0.708 0.397 3.724) 3.812 12.373 ( 6.311 5.017 4.585) 9.275 12.465 ( 2.696 -2.451 -3.039) 4.745 12.755 ( 2.118 5.422 6.453) 8.690 13.151 ( 4.211 -3.276 6.875) 8.703 13.480 ( 7.679 -2.425 2.402) 8.403 15.112 ( -9.468 5.288 0.813) 10.875 18.457 ( 2.806 -0.293 -7.192) 7.726 18.849 ( 1.055 -10.647 -2.700) 11.035 18.933 ( 0.720 -16.851 9.888) 19.551 19.913 ( 6.297 7.162 3.571) 10.183 20.090 ( -2.326 13.440 -6.056) 14.924 20.335 ( 1.939 -0.855 2.185) 3.044 21.161 ( -0.844 1.747 4.314) 4.730 22.041 ( -13.570 -0.791 1.973) 13.735 22.647 ( 15.493 4.223 -7.487) 17.718 23.263 ( 3.546 -4.194 0.935) 5.571 23.565 ( 5.278 1.338 0.863) 5.513 23.679 ( -2.231 -2.242 -2.782) 4.212 23.943 ( -4.094 0.046 -1.529) 4.370 24.185 ( -2.511 -0.275 0.215) 2.535 ======================= Grid point 24 (21/96) ======================= q-point: (-0.53 -0.04 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -2.686 -5.813 1.456) 6.567 2.433 ( 7.610 5.820 4.802) 10.716 2.761 ( -12.613 -3.683 -2.323) 13.343 2.908 ( -3.270 -11.085 -3.535) 12.086 3.157 ( 0.866 7.092 -11.368) 13.427 3.224 ( 3.065 -1.887 -2.306) 4.275 3.328 ( -1.030 -0.791 -6.750) 6.874 3.501 ( 6.374 3.434 0.281) 7.246 3.839 ( 5.249 -1.765 -3.308) 6.451 3.855 ( -4.771 4.867 0.242) 6.820 3.983 ( 4.243 2.767 1.798) 5.375 4.028 ( 9.664 4.096 -7.679) 13.005 4.138 ( -1.304 -3.169 -1.436) 3.715 4.283 ( 4.807 -0.167 -0.906) 4.895 4.498 ( 7.642 9.213 -1.236) 12.034 4.730 ( -1.115 -2.004 0.658) 2.386 4.743 ( -2.966 -1.372 7.328) 8.023 4.959 ( -1.569 -4.915 -1.860) 5.484 5.033 ( 3.049 -0.347 0.136) 3.071 5.247 ( 0.466 2.183 0.527) 2.293 5.398 ( 4.621 -5.684 -3.704) 8.208 5.429 ( 0.720 3.519 6.817) 7.706 5.635 ( -5.776 7.358 2.931) 9.803 5.855 ( -6.366 6.606 -7.090) 11.595 6.442 ( 2.588 -12.568 5.513) 13.966 6.531 ( 1.949 -5.782 1.308) 6.240 7.076 ( -3.872 1.272 -2.826) 4.960 7.311 ( 3.463 6.359 -4.279) 8.411 7.576 ( 8.986 -0.498 -6.998) 11.400 7.691 ( -7.566 -2.200 12.288) 14.597 8.015 ( -1.620 -11.528 5.905) 13.054 8.377 ( -5.490 2.663 -7.495) 9.665 8.705 ( 7.437 3.628 7.820) 11.385 8.951 ( -2.850 8.249 -2.323) 9.031 9.209 ( -6.598 1.485 -6.337) 9.268 9.319 ( 4.226 -10.891 4.736) 12.606 9.609 ( -5.088 -2.578 -2.427) 6.199 10.018 ( 5.008 3.008 -3.270) 6.695 10.288 ( 0.747 -1.556 -3.277) 3.703 10.435 ( 8.261 -1.837 -7.716) 11.452 10.857 ( -15.557 11.104 4.486) 19.632 11.309 ( -15.694 0.106 -1.797) 15.796 11.614 ( 1.376 -2.844 -0.904) 3.287 11.729 ( 3.313 -4.065 1.472) 5.447 11.851 ( -1.640 1.329 1.585) 2.639 11.931 ( 1.052 -1.116 0.368) 1.577 12.394 ( -2.012 -2.044 0.246) 2.878 12.621 ( 8.381 -0.816 -1.192) 8.504 12.700 ( 6.248 10.512 7.912) 14.566 13.060 ( -0.156 -3.920 4.331) 5.844 13.550 ( 7.313 -9.035 5.550) 12.881 14.909 ( -8.647 6.799 -0.420) 11.008 18.572 ( -0.308 -7.343 5.875) 9.409 18.756 ( 3.820 -7.689 -2.408) 8.917 19.015 ( -0.663 -3.202 -4.536) 5.592 19.979 ( 6.003 10.179 6.659) 13.564 20.117 ( 3.291 3.796 -2.026) 5.417 20.418 ( 0.615 0.603 -7.125) 7.176 21.132 ( 2.571 0.020 -0.286) 2.587 21.701 ( -14.867 -2.048 3.442) 15.397 23.032 ( 10.433 6.141 -4.762) 13.009 23.350 ( 3.530 -6.533 -1.292) 7.537 23.645 ( -4.660 -1.970 -0.855) 5.131 23.661 ( 7.091 1.839 3.207) 7.997 23.862 ( -5.141 1.969 -2.023) 5.865 24.148 ( -2.234 0.711 -0.536) 2.405 ======================= Grid point 25 (22/96) ======================= q-point: ( 0.33 -0.04 -0.53) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -1.349 -9.106 7.170) 11.669 2.376 ( 1.206 -4.015 9.045) 9.969 2.545 ( -8.867 -3.458 3.275) 10.065 2.797 ( -6.147 -6.561 7.228) 11.536 3.032 ( -1.452 4.020 4.335) 6.088 3.338 ( 1.361 4.199 3.570) 5.678 3.400 ( -9.783 -0.244 -11.732) 15.277 3.501 ( -3.216 1.375 3.022) 4.623 3.870 ( -6.130 2.343 -3.175) 7.290 3.921 ( 6.005 7.638 0.599) 9.735 4.087 ( -3.278 -3.603 -6.290) 7.956 4.153 ( 0.837 2.534 -4.360) 5.112 4.349 ( 2.343 0.512 -2.289) 3.315 4.431 ( 0.894 -3.167 -3.443) 4.763 4.513 ( 0.867 3.928 4.768) 6.238 4.616 ( 1.511 3.198 -2.432) 4.292 4.793 ( -5.730 0.131 0.414) 5.746 4.825 ( 7.037 0.784 2.078) 7.379 5.092 ( 3.109 8.086 3.387) 9.301 5.193 ( -2.559 -2.174 -0.678) 3.426 5.332 ( -2.119 -3.911 2.689) 5.198 5.467 ( -1.657 -0.195 5.286) 5.543 5.683 ( 1.897 -0.449 -2.766) 3.384 5.898 ( 6.223 0.026 -11.767) 13.311 6.435 ( -0.280 -5.734 9.617) 11.201 6.499 ( 3.806 -2.761 0.432) 4.722 6.936 ( -6.471 6.931 8.263) 12.577 7.087 ( -9.585 4.250 8.325) 13.388 7.458 ( -2.640 -12.308 -0.129) 12.589 7.986 ( 7.970 -5.964 1.596) 10.081 8.155 ( 13.050 -1.109 -17.618) 21.953 8.375 ( -8.320 -0.361 -6.486) 10.556 8.776 ( 5.473 5.423 1.712) 7.893 8.894 ( -2.690 7.882 0.546) 8.346 9.145 ( -2.908 -2.079 1.160) 3.759 9.370 ( 3.979 -7.448 0.001) 8.444 9.571 ( -2.347 0.790 -3.588) 4.360 10.179 ( 0.033 0.169 0.512) 0.540 10.241 ( -1.548 0.622 0.558) 1.759 10.515 ( -9.591 12.550 2.676) 16.020 10.772 ( 10.953 -1.163 -6.366) 12.722 11.025 ( -16.917 -4.027 -1.834) 17.486 11.657 ( 0.566 -2.315 -1.339) 2.734 11.758 ( 2.185 -0.299 2.291) 3.180 11.863 ( 1.354 -2.972 -3.452) 4.752 11.971 ( 2.174 -1.004 -0.434) 2.433 12.290 ( -4.969 -3.168 2.681) 6.474 12.705 ( 6.029 8.844 4.000) 11.427 12.806 ( 8.579 1.216 -0.701) 8.693 13.001 ( -0.185 1.858 1.992) 2.730 13.630 ( 10.877 -15.769 2.403) 19.307 14.833 ( -3.312 11.149 -3.585) 12.170 18.388 ( -0.574 -10.974 8.889) 14.134 18.941 ( 3.151 0.311 -4.091) 5.174 19.033 ( -3.340 -3.798 -3.724) 6.281 19.886 ( -0.989 12.067 5.016) 13.105 20.363 ( 13.538 -0.708 -3.625) 14.032 20.552 ( -3.722 0.050 -8.546) 9.321 21.247 ( -0.828 -2.922 -2.081) 3.681 21.398 ( -2.688 0.566 1.829) 3.300 23.230 ( 2.555 1.761 -2.369) 3.905 23.373 ( -1.371 -2.441 0.348) 2.821 23.527 ( -6.112 -2.245 0.891) 6.572 23.705 ( 4.368 2.637 3.799) 6.362 23.887 ( 1.530 0.091 -2.507) 2.939 24.097 ( -4.196 2.088 -0.467) 4.710 ======================= Grid point 26 (23/96) ======================= q-point: ( 0.19 -0.04 -0.39) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 3.640 -9.866 6.626) 12.430 2.067 ( -10.500 -5.049 15.597) 19.468 2.218 ( -16.812 -11.919 6.416) 21.584 2.552 ( -0.598 0.545 1.957) 2.117 3.016 ( 3.858 6.504 2.647) 8.013 3.226 ( -2.316 3.799 5.357) 6.964 3.384 ( -4.724 0.289 0.973) 4.832 3.448 ( -10.341 0.134 -13.533) 17.032 3.745 ( -7.900 2.095 -1.489) 8.307 3.893 ( -9.323 -2.714 1.527) 9.829 4.114 ( -5.803 -4.808 -1.076) 7.612 4.140 ( -3.967 -3.632 -5.973) 8.038 4.225 ( -6.822 -1.811 4.350) 8.291 4.365 ( -5.822 -3.161 1.090) 6.714 4.527 ( -7.121 1.023 -1.574) 7.364 4.656 ( 10.284 0.323 4.694) 11.309 4.733 ( -6.724 -1.633 1.968) 7.194 4.857 ( -9.834 -8.336 9.850) 16.224 5.033 ( 8.813 7.591 -0.895) 11.666 5.195 ( 4.821 6.526 0.589) 8.135 5.248 ( 7.285 0.463 -0.453) 7.314 5.548 ( 2.875 -0.585 -6.048) 6.723 5.876 ( 4.450 5.190 -9.321) 11.559 6.166 ( 2.484 -2.596 4.424) 5.700 6.234 ( 0.327 0.111 2.848) 2.869 6.536 ( -1.953 4.442 -1.449) 5.064 6.639 ( 3.766 2.420 11.363) 12.213 6.945 ( -2.379 1.937 -4.002) 5.042 7.451 ( 0.375 -20.659 -0.665) 20.673 8.037 ( 0.016 0.676 2.474) 2.565 8.290 ( -5.634 -7.794 -0.299) 9.622 8.480 ( -8.011 5.251 -2.888) 10.005 8.878 ( 1.454 7.275 -5.393) 9.172 8.981 ( 11.456 3.750 -1.227) 12.116 9.149 ( 7.942 -3.448 -0.936) 8.708 9.408 ( -4.659 7.112 -2.535) 8.872 9.640 ( 4.488 -3.009 1.131) 5.520 9.995 ( -1.407 -6.460 2.527) 7.078 10.250 ( -7.263 0.681 -2.905) 7.852 10.303 ( -15.767 5.551 0.915) 16.741 10.862 ( 2.996 -3.229 -0.234) 4.411 11.054 ( 8.927 -1.378 -2.033) 9.259 11.687 ( 2.147 0.859 1.026) 2.530 11.820 ( 4.913 -2.706 -3.197) 6.456 11.948 ( 1.507 0.374 -1.246) 1.991 11.998 ( -4.258 -2.336 -2.243) 5.350 12.159 ( 3.209 0.346 5.418) 6.306 12.682 ( -5.242 0.199 0.949) 5.331 12.967 ( 5.125 11.880 -1.011) 12.978 13.050 ( 9.308 1.839 1.284) 9.574 13.917 ( 16.916 -14.446 -3.506) 22.519 14.864 ( -2.384 18.294 -3.410) 18.762 18.246 ( -0.243 -10.728 4.852) 11.777 18.913 ( -4.322 2.494 1.303) 5.157 19.135 ( 2.061 -8.979 -4.278) 10.157 19.786 ( -1.115 15.649 3.244) 16.020 20.576 ( -6.170 1.001 -4.451) 7.673 20.717 ( 4.509 -3.409 -11.321) 12.654 21.073 ( -0.340 -3.666 5.570) 6.677 21.637 ( 14.221 3.409 -3.064) 14.942 23.196 ( -11.200 -0.240 -6.668) 13.037 23.395 ( 1.888 0.699 0.887) 2.200 23.427 ( -0.637 -3.176 0.103) 3.241 23.667 ( 3.122 1.572 8.541) 9.229 23.940 ( -0.563 -1.609 -1.263) 2.121 23.996 ( -6.134 1.356 0.492) 6.301 ======================= Grid point 27 (24/96) ======================= q-point: ( 0.04 -0.04 -0.24) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -23.292 -9.424 -0.000) 25.127 1.620 ( -30.371 -9.511 -0.000) 31.826 2.040 ( 9.270 -19.176 -0.000) 21.299 2.700 ( 9.982 9.105 0.000) 13.511 2.705 ( -33.075 -18.898 -0.000) 38.093 3.210 ( 3.292 -6.093 -0.000) 6.925 3.299 ( -3.430 0.576 -0.000) 3.478 3.445 ( -8.726 2.869 -0.000) 9.186 3.568 ( -7.475 0.203 -0.000) 7.477 3.720 ( -1.363 0.706 -0.000) 1.535 4.002 ( -6.445 0.272 -0.000) 6.451 4.046 ( -6.983 -4.553 -0.000) 8.336 4.126 ( -6.141 -3.390 -0.000) 7.015 4.248 ( -1.494 -4.130 -0.000) 4.392 4.361 ( -11.138 -9.592 -0.000) 14.699 4.450 ( -2.127 1.279 -0.000) 2.482 4.586 ( -1.368 -4.400 -0.000) 4.608 4.965 ( 10.176 2.576 0.000) 10.497 5.054 ( -4.350 6.840 0.000) 8.106 5.349 ( 7.463 1.066 0.000) 7.539 5.449 ( 9.794 -0.594 0.000) 9.812 5.644 ( -0.459 4.035 0.000) 4.061 6.056 ( 4.351 5.217 0.000) 6.793 6.086 ( -8.961 -0.274 -0.000) 8.965 6.278 ( 15.243 -7.865 0.000) 17.152 6.597 ( 7.026 10.167 0.000) 12.358 6.650 ( 4.328 -0.509 0.000) 4.358 6.987 ( -1.275 8.046 0.000) 8.146 7.503 ( 4.085 -24.295 -0.000) 24.636 7.867 ( -10.021 -4.263 -0.000) 10.890 8.253 ( 0.777 -6.645 -0.000) 6.690 8.301 ( -10.024 6.874 -0.000) 12.154 8.873 ( -2.189 6.513 0.000) 6.871 9.224 ( -13.000 20.263 0.000) 24.075 9.232 ( 10.921 -2.142 0.000) 11.129 9.419 ( 9.722 1.269 0.000) 9.805 9.731 ( 4.741 -4.473 -0.000) 6.518 9.816 ( -19.788 2.678 -0.000) 19.968 10.129 ( -7.273 -1.798 -0.000) 7.492 10.155 ( 8.944 -20.985 -0.000) 22.812 11.023 ( 10.166 0.483 0.000) 10.178 11.230 ( 8.587 1.098 0.000) 8.657 11.699 ( -1.888 3.035 0.000) 3.574 11.865 ( -4.850 -2.328 -0.000) 5.380 11.992 ( 6.251 -6.718 -0.000) 9.176 12.007 ( 2.464 2.806 0.000) 3.735 12.264 ( 9.669 5.237 0.000) 10.996 12.535 ( -6.638 -1.350 -0.000) 6.774 13.034 ( 0.021 9.506 0.000) 9.506 13.219 ( 7.928 1.685 0.000) 8.105 14.365 ( 20.521 -7.405 0.000) 21.816 14.765 ( -12.509 33.266 0.000) 35.540 18.197 ( -0.126 -10.412 -0.000) 10.413 18.788 ( -6.382 -0.254 -0.000) 6.387 19.251 ( 6.744 -15.282 -0.000) 16.704 19.723 ( -1.879 20.685 0.000) 20.770 20.505 ( -4.618 3.505 -0.000) 5.798 20.745 ( -8.232 -11.319 -0.000) 13.996 21.236 ( 14.220 5.510 0.000) 15.250 21.960 ( 14.731 3.707 0.000) 15.190 23.073 ( -14.048 6.665 -0.000) 15.549 23.383 ( -0.689 -1.925 -0.000) 2.045 23.516 ( 0.868 0.976 0.000) 1.306 23.538 ( 3.776 -5.810 -0.000) 6.929 23.845 ( -6.309 -2.901 -0.000) 6.944 23.930 ( -1.271 -2.668 -0.000) 2.956 ======================= Grid point 28 (25/96) ======================= q-point: (-0.10 -0.04 -0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -24.734 -10.100 -18.913) 32.733 1.404 ( -23.385 -20.051 -22.784) 38.315 1.994 ( -29.854 -32.414 -19.714) 48.276 2.337 ( 3.794 -18.115 -10.611) 21.335 2.751 ( -1.257 14.919 7.796) 16.881 3.200 ( 4.254 -5.081 5.400) 8.548 3.237 ( 1.036 -3.190 0.532) 3.396 3.303 ( -0.705 -3.229 -1.305) 3.554 3.605 ( -2.783 -3.285 -3.369) 5.467 3.704 ( -0.408 -2.715 -2.262) 3.557 3.857 ( -7.770 1.136 0.063) 7.853 3.918 ( -6.115 -3.584 0.179) 7.090 3.989 ( -4.746 -6.699 0.320) 8.216 4.261 ( 3.022 1.186 0.134) 3.249 4.445 ( 2.934 2.456 -2.291) 4.460 4.454 ( 3.112 4.290 -7.343) 9.056 4.670 ( -1.236 -8.885 -8.869) 12.615 4.950 ( -6.023 1.021 -1.171) 6.220 5.096 ( 3.105 6.143 0.304) 6.890 5.444 ( 8.408 0.075 4.129) 9.367 5.557 ( 0.756 -4.498 4.335) 6.292 5.651 ( 4.882 8.498 -0.739) 9.829 5.917 ( -5.236 1.593 -1.490) 5.672 6.160 ( 3.624 3.921 1.149) 5.462 6.405 ( 0.935 6.395 18.590) 19.682 6.631 ( 15.265 -10.320 5.373) 19.193 6.881 ( 6.088 2.648 -7.390) 9.934 7.007 ( 2.298 2.499 -1.308) 3.638 7.539 ( 2.193 -21.712 4.452) 22.272 7.833 ( -4.110 -5.398 -11.320) 13.198 8.086 ( -11.115 6.064 0.524) 12.672 8.269 ( 0.237 -4.249 -0.086) 4.256 8.751 ( -14.624 16.798 0.064) 22.272 8.941 ( -4.061 7.192 0.934) 8.312 9.367 ( -3.356 -0.583 7.694) 8.414 9.438 ( 3.478 -3.526 -2.098) 5.379 9.634 ( -1.593 2.876 -2.493) 4.126 9.791 ( -0.351 -1.988 -1.929) 2.792 10.010 ( -3.760 -5.555 -0.589) 6.733 10.405 ( 22.270 -24.526 8.958) 34.318 11.243 ( 11.204 1.592 -0.672) 11.336 11.419 ( 8.322 2.376 -2.097) 8.905 11.586 ( -7.103 -0.772 -1.022) 7.218 11.862 ( 1.235 2.266 -0.577) 2.644 12.041 ( 5.117 0.111 4.175) 6.605 12.082 ( 3.264 -0.586 0.828) 3.418 12.335 ( -5.111 1.869 -2.504) 5.991 12.537 ( 7.392 1.914 2.427) 8.012 12.950 ( -5.158 6.567 3.187) 8.938 13.333 ( 3.334 2.788 1.078) 4.478 13.851 ( -36.461 16.761 24.001) 46.759 14.961 ( 9.393 13.623 -12.132) 20.518 18.229 ( -0.602 -8.911 -3.662) 9.653 18.690 ( -5.337 -2.517 -2.402) 6.371 19.416 ( 15.564 -23.702 9.380) 29.866 19.741 ( 1.133 20.195 -4.834) 20.797 20.380 ( -7.475 -1.794 12.255) 14.466 20.457 ( -6.827 -5.004 6.816) 10.867 21.376 ( 5.034 7.846 6.036) 11.106 22.147 ( 5.509 2.154 4.764) 7.595 22.517 ( -21.299 -1.109 6.147) 22.196 23.332 ( -1.661 -1.612 2.372) 3.314 23.527 ( -0.072 -2.336 -2.502) 3.424 23.598 ( -3.927 -2.482 -1.003) 4.752 23.906 ( 0.542 -1.966 -0.559) 2.115 24.065 ( 10.487 0.247 -9.880) 14.410 ======================= Grid point 29 (26/96) ======================= q-point: ( 0.34 -0.06 0.06) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 23.132 7.040) 24.180 1.678 ( 0.000 21.882 5.514) 22.566 2.361 ( -0.000 -9.273 2.809) 9.689 2.974 ( 0.000 25.520 22.426) 33.973 2.981 ( 0.000 11.853 10.559) 15.874 3.266 ( -0.000 -4.496 3.395) 5.634 3.294 ( 0.000 4.032 2.535) 4.762 3.367 ( 0.000 4.963 -2.294) 5.467 3.534 ( -0.000 6.030 -11.728) 13.188 3.830 ( 0.000 3.760 -2.847) 4.716 3.886 ( 0.000 4.358 2.289) 4.923 3.974 ( 0.000 4.495 2.455) 5.122 4.145 ( -0.000 -8.538 -2.259) 8.832 4.169 ( 0.000 1.819 5.198) 5.507 4.323 ( -0.000 -6.793 1.051) 6.874 4.529 ( 0.000 2.544 8.906) 9.262 4.895 ( 0.000 0.890 0.765) 1.173 4.986 ( 0.000 4.210 4.919) 6.474 5.052 ( 0.000 1.203 -0.024) 1.203 5.372 ( -0.000 -7.727 -6.330) 9.989 5.385 ( -0.000 -9.065 -7.879) 12.011 5.678 ( -0.000 -3.768 1.019) 3.904 5.755 ( 0.000 6.755 -8.903) 11.175 5.792 ( -0.000 -10.968 -10.507) 15.189 6.285 ( 0.000 0.604 9.557) 9.576 6.778 ( -0.000 -7.540 5.992) 9.631 6.950 ( -0.000 6.131 -9.313) 11.150 7.109 ( 0.000 8.008 -4.854) 9.364 7.671 ( 0.000 1.207 -1.579) 1.988 8.021 ( -0.000 -4.620 0.566) 4.654 8.122 ( 0.000 13.873 3.654) 14.346 8.301 ( -0.000 -0.403 0.165) 0.435 8.450 ( -0.000 -13.976 18.506) 23.191 8.869 ( -0.000 -0.846 -3.180) 3.291 9.210 ( -0.000 3.908 -9.378) 10.159 9.523 ( -0.000 -0.917 -0.832) 1.238 9.674 ( 0.000 2.951 4.168) 5.107 9.837 ( 0.000 2.445 0.322) 2.466 10.203 ( 0.000 8.253 5.057) 9.679 10.739 ( 0.000 9.747 -10.860) 14.593 11.175 ( -0.000 -7.762 -12.089) 14.366 11.566 ( 0.000 4.724 1.885) 5.086 11.578 ( 0.000 -1.193 5.560) 5.686 11.845 ( -0.000 -0.877 0.201) 0.899 11.955 ( -0.000 -5.111 -2.186) 5.559 11.960 ( -0.000 -2.348 -5.915) 6.364 12.235 ( -0.000 -12.866 -10.484) 16.597 12.408 ( 0.000 2.377 5.021) 5.555 12.808 ( -0.000 -3.657 -1.906) 4.124 13.075 ( -0.000 -3.868 3.831) 5.444 13.400 ( -0.000 -0.887 1.027) 1.357 15.078 ( -0.000 -3.925 5.333) 6.622 18.408 ( 0.000 6.098 -0.715) 6.140 18.903 ( 0.000 12.794 8.666) 15.453 19.326 ( -0.000 -21.388 7.346) 22.615 19.801 ( -0.000 -8.669 -7.099) 11.205 20.078 ( 0.000 21.968 -23.978) 32.520 20.295 ( -0.000 -4.290 1.062) 4.419 21.176 ( -0.000 -5.201 -3.000) 6.004 22.273 ( 0.000 6.652 2.598) 7.141 22.294 ( -0.000 -1.754 -0.879) 1.962 23.283 ( -0.000 0.278 -0.805) 0.852 23.547 ( 0.000 1.867 -2.427) 3.062 23.684 ( 0.000 1.230 2.553) 2.834 23.982 ( 0.000 2.632 0.714) 2.727 24.207 ( 0.000 -1.408 2.166) 2.583 ======================= Grid point 30 (27/96) ======================= q-point: ( 0.20 -0.06 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 8.195 25.227 3.329) 26.733 1.849 ( 11.880 20.484 18.400) 29.988 2.462 ( 3.826 -5.027 -7.929) 10.138 2.671 ( 8.304 31.628 8.714) 33.841 2.830 ( 6.253 24.325 6.925) 26.053 3.190 ( 0.025 -4.376 0.552) 4.411 3.273 ( 2.123 1.127 2.347) 3.359 3.453 ( -2.348 10.193 -5.170) 11.667 3.652 ( -3.891 0.782 -1.441) 4.222 3.783 ( -3.934 3.434 4.259) 6.738 3.854 ( 3.724 2.864 4.462) 6.479 3.993 ( 6.936 3.825 -0.612) 7.945 4.096 ( 2.209 4.568 -2.852) 5.820 4.213 ( 2.065 -5.717 -3.856) 7.198 4.343 ( 1.139 -5.289 0.144) 5.412 4.455 ( 8.197 5.001 8.985) 13.150 4.797 ( -1.094 2.299 7.026) 7.473 4.947 ( 2.105 0.821 3.983) 4.579 5.031 ( -2.157 -0.311 0.614) 2.264 5.369 ( -10.383 -8.096 -7.926) 15.367 5.511 ( -2.661 -4.474 -1.855) 5.526 5.590 ( -5.376 -4.238 -6.282) 9.291 5.926 ( 2.488 6.438 -3.703) 7.833 6.081 ( 4.829 -4.830 3.724) 7.779 6.197 ( -0.300 -11.670 -12.964) 17.445 6.609 ( -2.865 -7.123 4.960) 9.141 6.940 ( -5.668 2.283 7.073) 9.347 7.063 ( -15.922 8.446 -0.332) 18.027 7.817 ( 7.352 -3.711 -6.731) 10.636 7.984 ( 4.415 -0.659 4.992) 6.697 8.048 ( -3.175 20.203 -1.894) 20.539 8.307 ( 2.848 -1.998 1.090) 3.646 8.435 ( 17.500 -12.666 3.688) 21.915 8.876 ( -3.510 0.730 -1.631) 3.939 9.385 ( 1.684 0.767 -7.464) 7.690 9.521 ( -6.013 3.653 4.505) 8.355 9.556 ( 3.208 -4.333 2.132) 5.798 9.858 ( 1.995 4.724 0.212) 5.132 10.136 ( 1.086 6.750 2.313) 7.217 10.756 ( -16.630 11.007 -8.868) 21.825 11.154 ( -14.921 -6.210 -4.682) 16.826 11.387 ( -5.616 -1.210 4.820) 7.499 11.629 ( 5.692 4.132 1.614) 7.216 11.845 ( 0.977 0.190 0.052) 0.997 11.952 ( -2.812 -6.217 -2.025) 7.118 12.086 ( -2.092 -2.708 -7.072) 7.857 12.314 ( -1.218 -0.417 4.761) 4.932 12.469 ( 1.131 -4.880 -3.463) 6.090 12.794 ( 1.022 -8.397 -2.715) 8.884 13.230 ( 3.804 -8.523 -1.228) 9.414 13.533 ( 23.962 -12.646 -1.291) 27.125 14.849 ( -9.585 -0.101 6.531) 11.599 18.456 ( 1.728 12.973 -0.418) 13.094 18.772 ( 1.247 5.272 4.952) 7.339 19.235 ( 4.040 -24.698 5.282) 25.577 19.741 ( -13.924 6.380 -3.840) 15.790 20.264 ( 2.076 -8.535 -2.627) 9.169 20.674 ( 7.137 11.140 -16.350) 21.032 21.209 ( -2.846 -8.074 -2.236) 8.848 22.094 ( -10.839 -3.329 -1.526) 11.441 22.595 ( 18.384 6.295 -4.958) 20.054 23.353 ( 3.402 0.019 -1.552) 3.740 23.578 ( -1.439 3.148 0.002) 3.461 23.631 ( 1.799 0.745 3.725) 4.203 23.956 ( -2.495 2.934 -0.902) 3.956 24.075 ( -4.710 1.184 5.069) 7.020 ======================= Grid point 31 (28/96) ======================= q-point: ( 0.06 -0.06 0.34) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 11.609 14.418 0.000) 18.511 1.868 ( 18.519 15.441 0.000) 24.112 2.478 ( -10.254 21.818 0.000) 24.107 2.492 ( -3.511 -9.373 -0.000) 10.009 3.102 ( -1.310 16.848 0.000) 16.899 3.180 ( -3.015 -8.302 -0.000) 8.833 3.297 ( 2.260 0.928 0.000) 2.443 3.500 ( -2.059 2.937 0.000) 3.587 3.658 ( 18.530 12.608 0.000) 22.412 3.768 ( 5.370 9.093 0.000) 10.561 3.988 ( 12.751 -1.149 0.000) 12.803 4.126 ( 5.818 3.219 0.000) 6.649 4.192 ( 2.242 4.261 0.000) 4.815 4.349 ( 2.935 4.350 0.000) 5.247 4.363 ( 6.560 -6.680 -0.000) 9.363 4.602 ( 15.946 14.441 0.000) 21.513 4.670 ( -1.425 2.492 0.000) 2.871 4.917 ( -8.573 -1.557 -0.000) 8.713 4.924 ( -0.696 -5.623 -0.000) 5.666 5.252 ( -10.382 -7.619 -0.000) 12.878 5.389 ( -9.749 -7.237 -0.000) 12.142 5.676 ( -0.028 5.320 0.000) 5.320 5.862 ( -1.443 -10.861 -0.000) 10.956 6.051 ( -1.378 -2.598 -0.000) 2.941 6.401 ( -2.167 -8.633 -0.000) 8.901 6.464 ( -11.132 4.636 -0.000) 12.059 6.744 ( -3.158 7.803 0.000) 8.418 6.811 ( -0.039 -5.951 -0.000) 5.951 7.967 ( 3.821 3.639 0.000) 5.276 7.985 ( -3.179 15.936 0.000) 16.250 8.148 ( 10.950 -0.584 0.000) 10.965 8.358 ( 3.830 2.638 0.000) 4.651 8.720 ( 5.354 -8.346 -0.000) 9.916 8.908 ( 10.148 -10.397 -0.000) 14.529 9.231 ( -13.770 -3.586 -0.000) 14.229 9.435 ( -6.431 4.049 -0.000) 7.599 9.731 ( 12.955 -6.116 0.000) 14.326 9.857 ( -2.001 8.092 0.000) 8.336 10.165 ( 3.514 1.470 0.000) 3.809 10.498 ( -13.742 13.588 0.000) 19.325 10.997 ( -6.851 -2.099 -0.000) 7.166 11.202 ( -6.643 -1.573 -0.000) 6.826 11.687 ( 1.040 1.940 0.000) 2.201 11.925 ( 7.209 3.824 0.000) 8.160 11.927 ( -1.869 -5.199 -0.000) 5.525 12.115 ( -4.973 5.450 0.000) 7.378 12.135 ( -7.560 -7.701 -0.000) 10.792 12.547 ( 6.297 -0.535 0.000) 6.319 12.808 ( -3.180 -12.190 -0.000) 12.598 13.169 ( -6.951 -3.388 -0.000) 7.733 14.113 ( 22.315 -30.104 -0.000) 37.473 14.546 ( -13.322 10.333 -0.000) 16.860 18.468 ( 0.456 16.272 0.000) 16.278 18.765 ( 1.569 -4.547 -0.000) 4.810 19.298 ( 6.953 -19.118 -0.000) 20.343 19.520 ( -10.641 11.048 0.000) 15.339 20.399 ( 8.189 -7.183 0.000) 10.893 20.959 ( 7.506 9.858 0.000) 12.391 21.100 ( -9.609 -7.658 -0.000) 12.287 21.857 ( -14.682 -6.510 -0.000) 16.061 23.019 ( 14.695 0.734 0.000) 14.714 23.422 ( 1.908 0.584 0.000) 1.996 23.505 ( -3.983 1.245 -0.000) 4.173 23.596 ( -0.821 0.719 -0.000) 1.092 23.911 ( -0.220 3.360 0.000) 3.367 24.000 ( 0.499 4.107 0.000) 4.137 ======================= Grid point 32 (29/96) ======================= q-point: (-0.09 -0.06 0.49) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 5.278 9.586 -9.299) 14.361 2.284 ( 5.102 -7.505 -6.072) 10.919 2.334 ( 9.429 12.529 -6.304) 16.900 2.573 ( -4.130 5.961 -9.580) 12.015 2.961 ( -9.186 2.902 -5.704) 11.196 3.132 ( -4.216 -7.340 -4.978) 9.820 3.373 ( 2.655 -0.467 -2.783) 3.874 3.435 ( 1.538 -1.272 4.388) 4.821 3.795 ( 12.591 8.204 11.006) 18.627 3.950 ( 3.864 3.688 8.686) 10.197 4.166 ( 4.196 1.891 4.193) 6.226 4.210 ( 4.597 1.451 3.071) 5.716 4.276 ( 10.509 2.496 -3.736) 11.430 4.443 ( 4.470 2.143 0.262) 4.964 4.503 ( 2.888 0.608 -1.011) 3.120 4.647 ( -4.637 -0.397 -1.574) 4.913 4.728 ( -2.798 -2.697 0.803) 3.968 4.892 ( -7.736 -4.509 -3.824) 9.737 4.998 ( 2.933 1.513 -2.790) 4.322 5.020 ( -5.132 -7.813 0.589) 9.366 5.306 ( 6.950 8.453 -5.363) 12.187 5.605 ( 2.113 2.369 5.469) 6.323 5.813 ( -7.080 0.824 4.871) 8.633 5.974 ( -7.266 -15.616 -1.691) 17.307 6.358 ( 1.183 6.164 -7.690) 9.926 6.469 ( 1.867 -2.580 -7.058) 7.743 6.689 ( -2.695 6.326 -1.480) 7.034 6.836 ( -0.860 -7.164 1.231) 7.319 7.881 ( -2.974 19.878 3.887) 20.472 8.031 ( 3.227 -3.153 0.684) 4.563 8.369 ( 10.666 -3.718 1.457) 11.389 8.438 ( 2.828 6.486 1.120) 7.164 8.713 ( -0.733 -7.161 3.448) 7.981 8.863 ( -8.569 -7.525 6.641) 13.197 9.237 ( 7.475 -8.508 -3.755) 11.932 9.258 ( -9.286 7.210 -1.531) 11.855 9.791 ( -3.641 9.827 -1.142) 10.542 9.929 ( 5.517 -10.278 -0.941) 11.703 10.239 ( 5.138 -0.351 2.047) 5.542 10.315 ( -4.500 4.540 1.634) 6.598 10.908 ( 5.163 1.422 3.661) 6.487 11.086 ( -9.103 1.399 0.085) 9.210 11.703 ( -0.153 2.371 -1.153) 2.641 11.808 ( -3.863 -3.299 4.356) 6.692 11.968 ( -0.969 1.277 0.474) 1.672 12.014 ( -0.202 -1.484 0.792) 1.695 12.210 ( 5.672 6.806 -4.558) 9.963 12.594 ( -6.502 -10.370 -1.071) 12.286 12.804 ( 6.511 -2.023 -0.293) 6.825 13.008 ( -9.376 -2.394 -0.534) 9.691 14.223 ( -5.816 13.306 4.539) 15.215 14.451 ( 3.681 -19.133 -0.878) 19.504 18.516 ( 1.246 15.484 -3.661) 15.960 18.807 ( 0.147 -9.245 -2.372) 9.546 19.338 ( -6.163 10.913 1.930) 12.681 19.458 ( 5.610 -15.252 -2.498) 16.442 20.544 ( 10.168 -2.218 4.988) 11.541 20.751 ( -9.480 -0.098 9.708) 13.569 21.173 ( 8.449 6.082 -1.897) 10.582 21.545 ( -14.617 -5.820 1.735) 15.829 23.207 ( 11.595 0.866 3.437) 12.124 23.393 ( -6.601 0.684 -0.179) 6.639 23.493 ( 2.610 2.966 -1.405) 4.194 23.621 ( -3.679 -2.826 -5.631) 7.296 23.957 ( 5.164 -0.907 1.663) 5.501 23.995 ( -1.903 2.390 -0.100) 3.056 ======================= Grid point 33 (30/96) ======================= q-point: (-0.23 -0.06 -0.37) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -3.500 10.509 -7.811) 13.554 2.430 ( -5.295 -2.216 -11.701) 13.033 2.595 ( -3.383 -0.882 -6.293) 7.198 2.847 ( 13.272 2.009 -8.894) 16.102 3.093 ( 6.238 8.638 -7.625) 13.102 3.231 ( 0.025 -9.129 -7.197) 11.625 3.384 ( 1.309 0.833 3.410) 3.747 3.483 ( 1.629 -1.849 0.975) 2.650 3.694 ( -4.708 -11.511 10.974) 16.586 3.807 ( 7.390 -4.733 8.535) 12.242 4.067 ( -7.768 -3.912 5.567) 10.326 4.165 ( 7.231 2.872 4.187) 8.836 4.366 ( -9.189 1.511 0.477) 9.325 4.434 ( -7.104 -1.489 -3.762) 8.176 4.523 ( -4.379 0.633 1.325) 4.618 4.586 ( 5.561 3.886 1.645) 6.981 4.745 ( -8.172 -5.078 -4.412) 10.584 4.866 ( 8.645 5.398 -0.103) 10.192 4.968 ( -0.006 -3.514 -2.164) 4.127 5.089 ( 6.753 -6.124 -0.947) 9.165 5.500 ( -4.187 6.617 4.810) 9.190 5.532 ( -3.375 4.068 -1.855) 5.602 5.695 ( -2.632 -0.729 0.153) 2.736 5.813 ( 5.715 -4.511 8.569) 11.244 6.564 ( -4.418 5.792 -14.814) 16.508 6.601 ( -8.072 6.442 -3.787) 11.000 6.804 ( 8.235 -5.423 -11.485) 15.137 6.937 ( 8.965 -9.417 -4.331) 13.704 7.736 ( -0.923 14.030 6.310) 15.412 8.050 ( 2.625 -10.464 13.707) 17.444 8.169 ( -10.994 10.978 0.843) 15.559 8.458 ( -0.141 4.684 6.122) 7.710 8.653 ( 6.503 -5.907 1.227) 8.871 8.711 ( -1.851 -8.002 2.390) 8.554 9.190 ( -4.176 3.128 -2.524) 5.796 9.434 ( 7.943 -3.464 -1.885) 8.868 9.683 ( -7.575 13.638 -2.080) 15.739 10.078 ( -2.365 -11.854 -0.067) 12.088 10.227 ( 2.513 0.146 -3.991) 4.718 10.340 ( 10.400 -4.494 2.883) 11.691 10.797 ( -10.813 1.309 6.861) 12.872 11.064 ( 15.016 0.313 3.872) 15.511 11.703 ( -0.365 1.987 0.972) 2.243 11.746 ( 1.033 -0.969 0.215) 1.432 11.938 ( -3.266 3.369 -0.295) 4.701 11.987 ( -0.865 0.474 0.954) 1.372 12.405 ( 5.691 8.345 -1.591) 10.225 12.484 ( -6.539 -10.717 -4.733) 13.417 12.819 ( -8.917 0.332 -0.271) 8.927 12.979 ( 6.737 0.195 -0.684) 6.774 13.977 ( -13.565 18.298 -0.542) 22.785 14.557 ( 9.780 -15.300 2.663) 18.353 18.644 ( 1.044 12.870 -5.935) 14.211 18.842 ( -1.228 -8.256 -2.480) 8.707 19.208 ( -2.704 12.785 1.971) 13.215 19.597 ( 4.101 -16.055 -2.181) 16.713 20.384 ( -11.957 1.417 6.049) 13.475 20.555 ( 4.408 0.225 9.555) 10.525 21.256 ( -8.910 -2.130 1.808) 9.338 21.428 ( 13.804 3.629 -0.801) 14.296 23.199 ( -10.520 -1.406 0.964) 10.657 23.406 ( 8.563 0.556 -0.552) 8.599 23.590 ( 2.293 3.145 -2.224) 4.482 23.636 ( -1.404 -3.169 -2.355) 4.191 23.893 ( -5.135 0.800 2.370) 5.711 24.048 ( 4.927 -2.674 0.284) 5.613 ======================= Grid point 34 (31/96) ======================= q-point: (-0.37 -0.06 -0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -11.668 4.235 -11.842) 17.156 2.456 ( -9.050 4.647 -5.308) 11.475 2.734 ( -0.274 -8.224 6.679) 10.598 2.897 ( -0.403 -9.840 12.542) 15.947 3.167 ( 2.214 6.677 -1.218) 7.139 3.293 ( 1.786 2.946 5.403) 6.408 3.361 ( -1.208 3.456 -0.809) 3.749 3.447 ( 4.399 -1.868 -6.052) 7.712 3.715 ( -2.917 -10.046 -0.954) 10.504 3.809 ( 6.823 -4.101 3.591) 8.733 3.867 ( -0.561 0.820 1.313) 1.646 4.073 ( -12.753 1.113 0.793) 12.826 4.212 ( -0.501 3.952 1.324) 4.198 4.309 ( -8.477 -8.574 -0.126) 12.058 4.328 ( -9.396 2.246 1.001) 9.712 4.746 ( 7.524 0.401 -6.941) 10.244 4.793 ( 1.537 4.321 -2.222) 5.097 4.970 ( 2.177 -2.360 -2.033) 3.801 5.055 ( 6.247 0.921 5.887) 8.633 5.223 ( 4.145 0.020 0.731) 4.209 5.379 ( -5.591 0.365 1.254) 5.741 5.447 ( -6.497 -2.142 -5.719) 8.917 5.565 ( 3.639 -0.255 0.614) 3.699 5.767 ( -0.060 -2.239 10.698) 10.930 6.613 ( 0.308 4.210 -3.080) 5.226 6.671 ( -9.344 7.207 -10.605) 15.866 7.014 ( 5.153 -5.785 4.230) 8.827 7.207 ( -2.782 -2.212 -8.418) 9.138 7.564 ( -1.334 -1.865 10.646) 10.890 7.774 ( 6.091 5.383 1.238) 8.223 8.248 ( -1.023 8.054 -7.160) 10.825 8.331 ( 1.015 0.528 6.081) 6.188 8.636 ( 0.442 -4.719 -0.668) 4.787 8.795 ( 4.598 -4.317 -1.379) 6.456 9.109 ( -1.884 -4.609 4.732) 6.869 9.599 ( 0.782 7.419 -4.550) 8.738 9.651 ( -0.442 6.420 -1.836) 6.692 9.959 ( -4.277 -3.365 1.587) 5.669 10.311 ( 1.947 0.791 1.469) 2.564 10.435 ( 2.097 -4.824 8.221) 9.760 10.653 ( 7.413 -4.791 -2.491) 9.171 11.307 ( 16.122 -0.016 2.073) 16.255 11.671 ( -0.864 1.949 0.558) 2.203 11.790 ( 1.456 1.069 -0.203) 1.817 11.840 ( -5.079 1.019 -0.367) 5.193 11.944 ( -1.734 0.138 -0.086) 1.742 12.452 ( -5.088 2.662 0.513) 5.765 12.522 ( 1.479 -4.660 -5.026) 7.012 12.650 ( -7.378 0.743 0.478) 7.431 13.103 ( 4.264 1.301 -1.103) 4.592 13.742 ( -14.155 8.401 -3.120) 16.753 14.766 ( 14.148 -5.909 0.472) 15.340 18.637 ( -6.072 -0.069 1.491) 6.252 18.971 ( 4.521 6.608 -8.003) 11.320 19.158 ( 0.377 14.768 1.676) 14.868 19.711 ( 2.860 -15.947 -2.914) 16.461 20.033 ( -11.500 -3.024 7.346) 13.977 20.419 ( -2.087 0.205 4.105) 4.610 21.128 ( -2.629 -0.147 0.079) 2.634 21.744 ( 15.534 1.990 -1.121) 15.701 22.930 ( -14.005 -3.737 1.791) 14.605 23.481 ( -1.559 6.189 1.609) 6.582 23.581 ( -6.902 -4.779 -3.007) 8.917 23.709 ( 1.134 2.860 -0.118) 3.079 23.812 ( 6.827 -2.703 1.860) 7.574 24.134 ( 3.617 -0.697 -0.207) 3.689 ======================= Grid point 35 (32/96) ======================= q-point: ( 0.49 -0.06 -0.09) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -15.111 -3.938 18.760) 24.409 2.091 ( -21.850 8.940 -4.183) 23.976 2.446 ( -2.296 -2.480 3.399) 4.793 3.047 ( 10.491 2.124 3.539) 11.273 3.167 ( 4.906 13.749 6.386) 15.934 3.284 ( 1.856 -0.547 2.363) 3.054 3.354 ( -0.005 1.809 -0.858) 2.002 3.429 ( -10.282 -1.622 1.290) 10.489 3.522 ( -2.465 10.055 4.457) 11.272 3.808 ( -1.491 2.074 1.290) 2.861 3.961 ( 1.918 0.737 0.153) 2.060 4.018 ( -3.387 -6.421 -4.079) 8.328 4.096 ( -0.766 3.134 3.015) 4.416 4.169 ( 1.019 -1.498 3.645) 4.070 4.283 ( 1.248 -6.474 -2.756) 7.146 4.742 ( -7.660 2.371 -1.586) 8.173 4.977 ( 0.698 5.418 9.065) 10.584 5.027 ( 2.672 2.402 -0.508) 3.629 5.063 ( 5.525 0.294 -3.659) 6.633 5.198 ( -5.173 -1.633 0.272) 5.432 5.388 ( -2.455 -8.655 -2.252) 9.274 5.424 ( 7.678 3.289 -2.131) 8.620 5.653 ( 1.677 -6.351 -2.644) 7.081 5.702 ( -2.106 -1.931 -8.480) 8.948 6.511 ( -6.027 1.143 4.431) 7.567 6.735 ( 4.877 0.444 3.695) 6.135 6.981 ( 1.950 3.841 -0.215) 4.313 7.071 ( -8.422 0.681 2.016) 8.687 7.587 ( 4.048 5.292 -2.629) 7.163 7.945 ( 2.082 -4.482 -5.485) 7.383 8.234 ( -0.509 1.334 6.139) 6.303 8.295 ( -0.603 4.304 -1.827) 4.714 8.761 ( 4.117 -8.273 -0.103) 9.241 8.869 ( -0.456 -6.941 10.952) 12.974 8.977 ( -1.755 4.062 -10.644) 11.527 9.568 ( -6.385 3.163 -1.946) 7.386 9.705 ( 3.794 2.708 2.832) 5.455 9.871 ( -1.907 0.673 1.261) 2.383 10.313 ( -1.239 5.313 4.921) 7.347 10.426 ( 10.999 13.088 -3.261) 17.404 10.907 ( 9.242 -14.790 -4.794) 18.087 11.562 ( 8.105 2.064 3.293) 8.988 11.665 ( 1.016 2.867 -1.435) 3.363 11.748 ( -0.545 -1.661 -2.678) 3.198 11.850 ( 0.335 -0.804 -0.478) 0.993 11.948 ( 0.217 -3.564 -1.977) 4.081 12.259 ( -13.964 -5.043 -4.048) 15.389 12.513 ( -1.846 1.986 3.973) 4.810 12.678 ( 4.302 -2.726 -3.801) 6.355 13.175 ( -1.313 -0.619 -1.788) 2.303 13.519 ( -11.743 0.633 -0.653) 11.778 15.022 ( 11.179 -2.825 1.268) 11.601 18.473 ( -5.503 1.459 1.630) 5.922 19.051 ( 2.397 9.562 8.110) 12.765 19.310 ( 3.716 12.511 -11.229) 17.216 19.699 ( -1.260 -13.913 9.722) 17.020 19.833 ( -3.935 -5.531 -10.870) 12.815 20.347 ( -3.666 0.256 -1.265) 3.886 21.124 ( 0.124 -1.666 -1.693) 2.379 22.051 ( 13.310 0.038 -0.783) 13.333 22.593 ( -15.227 -0.408 2.763) 15.481 23.347 ( -6.396 3.502 0.593) 7.316 23.527 ( -2.492 -2.173 -1.806) 3.768 23.713 ( 0.772 1.047 1.304) 1.842 23.946 ( 5.428 0.404 0.349) 5.454 24.193 ( 3.034 0.350 0.772) 3.151 ======================= Grid point 36 (33/96) ======================= q-point: (-0.07 -0.07 0.07) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.000 0.000 -32.165) 32.165 0.787 ( -0.000 0.000 -40.145) 40.145 1.132 ( -0.000 0.000 -57.385) 57.385 2.209 ( -0.000 0.000 -11.845) 11.845 2.999 ( 0.000 -0.000 19.135) 19.135 3.160 ( -0.000 0.000 -1.650) 1.650 3.224 ( -0.000 0.000 -2.382) 2.382 3.265 ( -0.000 0.000 -0.835) 0.835 3.475 ( -0.000 0.000 -4.275) 4.275 3.665 ( -0.000 0.000 -3.396) 3.396 3.742 ( 0.000 -0.000 0.478) 0.478 3.824 ( 0.000 -0.000 4.192) 4.192 3.833 ( -0.000 0.000 -0.815) 0.815 4.354 ( -0.000 0.000 -0.412) 0.412 4.442 ( -0.000 0.000 -15.847) 15.847 4.514 ( 0.000 -0.000 0.733) 0.733 4.793 ( 0.000 -0.000 2.787) 2.787 4.866 ( 0.000 -0.000 0.285) 0.285 5.308 ( 0.000 -0.000 4.751) 4.751 5.464 ( 0.000 -0.000 5.944) 5.944 5.752 ( 0.000 -0.000 0.853) 0.853 5.817 ( 0.000 -0.000 2.639) 2.639 5.853 ( -0.000 0.000 -14.259) 14.259 6.169 ( -0.000 0.000 -5.348) 5.348 6.319 ( 0.000 -0.000 11.303) 11.303 6.525 ( 0.000 -0.000 22.426) 22.426 7.064 ( -0.000 0.000 -5.713) 5.713 7.082 ( 0.000 -0.000 5.745) 5.745 7.235 ( 0.000 -0.000 5.824) 5.824 7.726 ( -0.000 0.000 -26.561) 26.561 7.852 ( -0.000 0.000 -6.272) 6.272 8.223 ( -0.000 0.000 -0.378) 0.378 8.803 ( -0.000 0.000 -0.139) 0.139 8.957 ( -0.000 0.000 -1.251) 1.251 9.303 ( 0.000 -0.000 2.003) 2.003 9.420 ( 0.000 -0.000 2.223) 2.223 9.673 ( 0.000 -0.000 6.179) 6.179 9.790 ( -0.000 0.000 -3.273) 3.273 9.886 ( -0.000 0.000 -0.075) 0.075 10.339 ( 0.000 -0.000 4.506) 4.506 11.388 ( -0.000 0.000 -2.122) 2.122 11.446 ( -0.000 0.000 -0.869) 0.869 11.658 ( 0.000 -0.000 2.612) 2.612 11.951 ( -0.000 0.000 -0.525) 0.525 12.004 ( 0.000 -0.000 1.104) 1.104 12.148 ( 0.000 -0.000 3.253) 3.253 12.302 ( -0.000 0.000 -0.587) 0.587 12.697 ( 0.000 -0.000 4.041) 4.041 12.915 ( 0.000 -0.000 2.054) 2.054 13.137 ( 0.000 -0.000 1.498) 1.498 13.410 ( -0.000 0.000 -0.552) 0.552 15.378 ( 0.000 -0.000 1.581) 1.581 18.135 ( -0.000 0.000 -4.689) 4.689 18.595 ( -0.000 0.000 -1.476) 1.476 18.987 ( 0.000 -0.000 4.471) 4.471 19.981 ( 0.000 -0.000 0.398) 0.398 20.010 ( -0.000 0.000 -3.078) 3.078 20.470 ( 0.000 -0.000 2.127) 2.127 21.523 ( 0.000 -0.000 9.203) 9.203 21.972 ( -0.000 0.000 -10.921) 10.921 22.364 ( 0.000 -0.000 1.594) 1.594 23.300 ( 0.000 -0.000 3.066) 3.066 23.489 ( -0.000 0.000 -0.749) 0.749 23.500 ( -0.000 0.000 -4.277) 4.277 23.883 ( -0.000 0.000 -1.499) 1.499 24.311 ( 0.000 -0.000 1.842) 1.842 ======================= Grid point 37 (34/96) ======================= q-point: (-0.21 -0.07 0.21) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 10.140 -0.000 -25.860) 27.776 1.653 ( 31.263 -0.000 -22.453) 38.490 2.314 ( 20.545 -0.000 -39.088) 44.158 2.441 ( -5.368 0.000 -19.025) 19.768 2.776 ( 3.219 -0.000 6.189) 6.976 3.045 ( -16.230 0.000 3.440) 16.591 3.160 ( -2.770 0.000 -2.607) 3.804 3.317 ( 2.394 -0.000 -2.510) 3.469 3.684 ( 4.243 -0.000 -4.020) 5.845 3.780 ( 4.454 -0.000 -5.025) 6.715 3.838 ( 10.786 -0.000 0.107) 10.787 3.870 ( 10.174 -0.000 -0.480) 10.186 3.900 ( 6.213 -0.000 -2.092) 6.555 4.279 ( -7.050 0.000 0.199) 7.053 4.471 ( -2.686 0.000 0.388) 2.714 4.640 ( -3.418 0.000 0.495) 3.453 4.680 ( 2.331 -0.000 -4.990) 5.507 4.948 ( 6.262 -0.000 1.027) 6.345 5.137 ( -4.177 0.000 6.817) 7.995 5.366 ( -0.019 -0.000 6.976) 6.976 5.470 ( -15.653 0.000 -2.356) 15.829 5.744 ( -0.708 0.000 2.794) 2.882 6.095 ( -2.570 0.000 -9.064) 9.422 6.109 ( -5.619 0.000 12.230) 13.459 6.256 ( 9.423 -0.000 14.528) 17.316 6.379 ( -0.126 0.000 -17.547) 17.548 6.861 ( -6.422 0.000 7.345) 9.757 7.164 ( 4.822 -0.000 5.318) 7.179 7.175 ( -1.529 0.000 -7.612) 7.764 8.008 ( 0.726 0.000 -7.409) 7.445 8.202 ( -1.418 0.000 2.005) 2.456 8.275 ( 10.499 -0.000 -8.895) 13.761 8.893 ( 0.597 -0.000 -1.700) 1.802 9.007 ( 1.674 -0.000 0.662) 1.800 9.267 ( 0.052 -0.000 12.824) 12.824 9.310 ( 5.122 -0.000 5.177) 7.283 9.563 ( -2.499 0.000 1.454) 2.891 9.898 ( 2.792 -0.000 -7.991) 8.465 9.933 ( 3.732 -0.000 0.299) 3.744 10.108 ( -8.477 0.000 -3.237) 9.074 11.309 ( -9.229 0.000 -3.405) 9.837 11.476 ( -10.026 0.000 -0.455) 10.036 11.565 ( 5.149 -0.000 1.172) 5.281 11.914 ( -2.085 0.000 2.651) 3.373 11.930 ( -3.557 0.000 1.852) 4.010 12.063 ( -3.556 0.000 3.774) 5.186 12.381 ( 7.005 -0.000 -1.799) 7.233 12.503 ( -6.502 0.000 3.244) 7.266 12.952 ( 7.261 -0.000 4.713) 8.657 13.292 ( 2.263 -0.000 8.401) 8.700 13.545 ( 18.486 -0.000 11.520) 21.782 15.222 ( -9.863 0.000 1.883) 10.041 18.265 ( 0.192 0.000 -8.618) 8.620 18.728 ( 7.278 -0.000 -3.058) 7.895 18.869 ( 0.485 -0.000 8.307) 8.321 20.072 ( 9.661 -0.000 5.785) 11.261 20.096 ( -0.469 0.000 -6.032) 6.050 20.411 ( 0.289 -0.000 4.318) 4.328 21.310 ( -3.750 0.000 7.775) 8.632 22.079 ( -8.625 0.000 2.916) 9.105 22.541 ( 15.993 -0.000 -6.431) 17.237 23.260 ( 1.937 -0.000 2.632) 3.268 23.570 ( -1.986 0.000 -4.501) 4.919 23.577 ( 6.893 -0.000 -0.375) 6.904 23.909 ( -1.444 0.000 -1.582) 2.142 24.188 ( -6.279 0.000 -1.223) 6.397 ======================= Grid point 38 (35/96) ======================= q-point: (-0.36 -0.07 0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -4.089 0.000 -7.501) 8.543 2.462 ( 13.258 -0.000 -14.263) 19.474 2.609 ( -11.523 0.000 -4.958) 12.544 2.712 ( -5.476 0.000 0.257) 5.482 2.978 ( 5.868 -0.000 -17.422) 18.383 3.142 ( -0.228 0.000 -3.577) 3.585 3.205 ( 14.049 -0.000 -4.524) 14.759 3.457 ( 10.029 -0.000 -6.785) 12.109 3.759 ( 4.978 -0.000 0.298) 4.987 3.929 ( -6.821 0.000 -0.007) 6.821 3.975 ( 3.133 -0.000 -1.648) 3.540 4.000 ( 8.634 -0.000 1.177) 8.714 4.218 ( 5.578 -0.000 1.345) 5.738 4.244 ( 3.731 -0.000 -5.286) 6.470 4.439 ( 0.250 0.000 -6.907) 6.912 4.714 ( 6.600 -0.000 -1.225) 6.712 4.766 ( 5.114 -0.000 1.567) 5.348 4.930 ( -2.449 0.000 3.269) 4.085 5.016 ( 2.649 -0.000 1.826) 3.218 5.240 ( 1.400 -0.000 2.474) 2.842 5.306 ( -7.968 0.000 -4.605) 9.203 5.641 ( -1.875 0.000 6.991) 7.238 5.807 ( -6.889 0.000 7.363) 10.084 6.081 ( -8.837 0.000 0.644) 8.860 6.194 ( 5.029 -0.000 5.115) 7.174 6.492 ( -0.427 0.000 0.625) 0.757 6.912 ( -2.486 0.000 -15.666) 15.862 7.231 ( 7.154 -0.000 -1.917) 7.406 7.356 ( 2.901 -0.000 -11.995) 12.341 8.032 ( -2.314 0.000 7.752) 8.090 8.048 ( -4.835 0.000 8.143) 9.470 8.396 ( 4.479 -0.000 11.178) 12.042 8.881 ( -11.381 0.000 -13.804) 17.890 8.999 ( -0.907 0.000 -1.428) 1.692 9.042 ( 6.358 -0.000 14.327) 15.675 9.328 ( 3.101 -0.000 2.677) 4.096 9.512 ( -4.647 0.000 -2.805) 5.428 10.011 ( 4.411 -0.000 -0.514) 4.441 10.155 ( 3.533 -0.000 -7.043) 7.880 10.265 ( 11.908 -0.000 -9.102) 14.988 11.063 ( -15.826 0.000 3.171) 16.141 11.273 ( -13.582 0.000 -1.889) 13.713 11.589 ( 2.237 -0.000 1.352) 2.613 11.770 ( -1.752 0.000 6.739) 6.963 11.903 ( 1.751 -0.000 -0.668) 1.874 11.921 ( -4.313 0.000 2.124) 4.808 12.382 ( -4.063 0.000 -0.111) 4.065 12.577 ( 8.512 -0.000 -1.793) 8.699 13.001 ( 7.231 -0.000 4.715) 8.633 13.109 ( -2.949 0.000 8.427) 8.928 13.564 ( 4.318 -0.000 7.638) 8.774 14.996 ( -8.463 0.000 1.224) 8.551 18.460 ( 0.310 0.000 -10.669) 10.674 18.698 ( 0.707 -0.000 10.343) 10.367 18.924 ( 5.187 -0.000 -3.027) 6.006 20.169 ( 11.418 -0.000 5.002) 12.465 20.180 ( -2.806 0.000 -3.878) 4.786 20.346 ( 1.426 -0.000 2.099) 2.538 21.149 ( -1.319 0.000 2.387) 2.727 21.767 ( -13.170 0.000 4.904) 14.054 22.960 ( 10.229 -0.000 -8.208) 13.115 23.284 ( 4.518 -0.000 1.571) 4.783 23.578 ( -4.585 0.000 -2.905) 5.428 23.734 ( 9.264 -0.000 1.654) 9.410 23.858 ( -4.655 0.000 -0.144) 4.657 24.136 ( -2.706 0.000 -1.716) 3.204 ======================= Grid point 39 (36/96) ======================= q-point: ( 0.50 -0.07 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -7.530 0.000 -2.051) 7.804 2.445 ( -1.733 0.000 6.169) 6.408 2.663 ( -2.525 0.000 -0.019) 2.525 2.693 ( -1.869 0.000 0.540) 1.946 3.108 ( -2.158 0.000 -0.105) 2.160 3.235 ( -5.646 0.000 -3.755) 6.780 3.423 ( 7.463 -0.000 0.447) 7.476 3.649 ( 0.737 -0.000 7.458) 7.494 3.895 ( -0.418 0.000 -0.016) 0.419 3.906 ( -0.522 0.000 -9.826) 9.839 4.052 ( 0.653 0.000 -9.095) 9.118 4.083 ( 8.340 -0.000 6.058) 10.308 4.186 ( 2.244 -0.000 -3.164) 3.879 4.359 ( -7.001 0.000 -3.785) 7.959 4.542 ( -3.079 0.000 -0.995) 3.236 4.733 ( 5.541 -0.000 0.012) 5.541 4.835 ( 3.404 -0.000 1.552) 3.741 4.906 ( -2.963 0.000 8.415) 8.922 5.112 ( 2.489 -0.000 -2.059) 3.230 5.276 ( 3.484 -0.000 0.130) 3.486 5.343 ( -3.182 0.000 4.178) 5.251 5.499 ( 4.950 -0.000 -4.620) 6.771 5.601 ( -6.166 0.000 -2.325) 6.590 5.861 ( -1.078 0.000 5.267) 5.376 6.284 ( 0.685 0.000 -7.748) 7.778 6.513 ( 3.323 -0.000 4.477) 5.576 6.972 ( -7.448 0.000 -2.751) 7.939 7.407 ( -1.276 0.000 0.550) 1.389 7.541 ( -7.115 0.000 21.219) 22.380 7.831 ( 12.883 -0.000 -15.787) 20.376 7.869 ( 2.447 -0.000 -1.095) 2.681 8.313 ( -1.134 0.000 1.191) 1.645 8.912 ( -9.781 0.000 -6.520) 11.755 9.004 ( 10.702 -0.000 8.323) 13.558 9.020 ( -1.897 0.000 -3.523) 4.001 9.321 ( 2.463 -0.000 1.702) 2.994 9.481 ( -5.002 0.000 -4.436) 6.686 10.129 ( 2.067 -0.000 -3.925) 4.436 10.267 ( -1.133 0.000 1.009) 1.517 10.672 ( 14.542 -0.000 -4.162) 15.126 10.751 ( -5.513 0.000 2.394) 6.010 10.963 ( -19.237 0.000 1.709) 19.312 11.616 ( 0.930 -0.000 -0.317) 0.983 11.712 ( 1.694 -0.000 -2.421) 2.955 11.829 ( -0.832 0.000 1.874) 2.051 11.956 ( 1.738 -0.000 -0.232) 1.753 12.307 ( -2.718 0.000 1.264) 2.997 12.744 ( 3.917 -0.000 -0.829) 4.004 12.945 ( 1.395 -0.000 3.735) 3.987 13.062 ( 5.006 -0.000 1.680) 5.281 13.508 ( 3.211 -0.000 3.511) 4.758 14.890 ( -2.731 0.000 -1.983) 3.375 18.468 ( -0.051 -0.000 10.400) 10.400 18.710 ( 0.353 0.000 -10.538) 10.544 19.012 ( 0.071 0.000 -0.735) 0.739 20.118 ( -0.299 -0.000 4.641) 4.651 20.327 ( 8.825 -0.000 -0.129) 8.826 20.408 ( -1.499 0.000 -6.398) 6.571 21.176 ( 1.453 -0.000 -1.799) 2.313 21.458 ( -5.851 0.000 3.457) 6.796 23.183 ( -0.883 0.000 -3.877) 3.977 23.361 ( 5.616 -0.000 1.370) 5.781 23.505 ( -5.986 0.000 -0.820) 6.042 23.770 ( -0.123 0.000 0.608) 0.620 23.874 ( 4.722 -0.000 0.774) 4.786 24.108 ( -3.201 0.000 -0.905) 3.327 ======================= Grid point 41 (37/96) ======================= q-point: ( 0.36 -0.07 -0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 0.100 -0.000 1.135) 1.139 2.253 ( 1.598 -0.000 14.893) 14.978 2.390 ( -13.099 0.000 15.582) 20.357 2.594 ( 1.544 -0.000 4.786) 5.029 3.100 ( 0.104 -0.000 -0.081) 0.132 3.120 ( -12.552 0.000 -10.411) 16.308 3.409 ( -5.761 0.000 1.957) 6.084 3.512 ( -5.743 0.000 10.601) 12.057 3.821 ( -3.667 0.000 0.893) 3.774 3.913 ( -8.837 0.000 -6.283) 10.843 4.002 ( -1.911 0.000 10.623) 10.794 4.087 ( -5.372 0.000 -2.152) 5.787 4.297 ( -3.021 0.000 -3.596) 4.697 4.337 ( -5.522 0.000 7.666) 9.448 4.433 ( -5.716 0.000 -8.939) 10.610 4.744 ( 2.144 -0.000 3.043) 3.722 4.814 ( -1.569 0.000 4.176) 4.461 4.878 ( 1.761 -0.000 5.745) 6.009 5.052 ( 0.914 -0.000 -4.959) 5.042 5.240 ( 4.631 -0.000 -0.177) 4.634 5.268 ( -4.633 0.000 -0.170) 4.637 5.579 ( 5.457 -0.000 5.386) 7.667 5.767 ( 8.295 -0.000 -7.713) 11.327 6.033 ( 5.462 -0.000 -8.864) 10.411 6.363 ( -0.429 -0.000 13.049) 13.056 6.463 ( -2.639 0.000 -12.328) 12.607 6.832 ( -7.746 0.000 -2.638) 8.183 7.038 ( 0.770 -0.000 20.296) 20.311 7.280 ( -1.798 0.000 3.165) 3.640 8.061 ( 5.829 -0.000 -3.508) 6.803 8.194 ( -8.296 0.000 -2.823) 8.763 8.465 ( 13.447 -0.000 -2.858) 13.748 8.797 ( -6.577 0.000 -8.883) 11.053 9.035 ( -2.660 0.000 -3.465) 4.368 9.098 ( 10.736 -0.000 4.608) 11.683 9.395 ( 3.589 -0.000 -2.250) 4.236 9.527 ( -2.335 0.000 -8.407) 8.726 10.066 ( -4.977 0.000 10.383) 11.514 10.163 ( -6.481 0.000 -4.467) 7.871 10.469 ( -23.468 0.000 4.942) 23.983 10.829 ( 11.719 -0.000 -0.441) 11.727 10.991 ( 12.906 -0.000 -1.579) 13.002 11.652 ( 0.796 -0.000 -2.912) 3.019 11.814 ( 2.578 -0.000 1.666) 3.070 11.869 ( 3.803 -0.000 -5.630) 6.794 11.951 ( -3.242 0.000 -0.199) 3.248 12.255 ( 3.732 -0.000 3.837) 5.353 12.696 ( -6.142 0.000 1.194) 6.256 13.065 ( 9.074 -0.000 -0.918) 9.120 13.118 ( 0.901 -0.000 -0.992) 1.340 13.656 ( 11.964 -0.000 -4.854) 12.912 14.953 ( 1.472 -0.000 -5.248) 5.450 18.272 ( -0.079 -0.000 9.102) 9.102 18.899 ( -0.773 0.000 -8.915) 8.949 18.963 ( -3.888 0.000 1.688) 4.239 20.040 ( 1.805 -0.000 4.865) 5.189 20.478 ( -3.364 0.000 -8.277) 8.935 20.484 ( -3.371 0.000 -6.190) 7.049 21.120 ( 0.986 -0.000 2.551) 2.735 21.596 ( 13.260 -0.000 -4.003) 13.851 23.095 ( -10.726 0.000 -1.625) 10.849 23.397 ( -4.253 0.000 -0.128) 4.255 23.435 ( 3.908 -0.000 2.085) 4.430 23.792 ( 1.798 -0.000 1.684) 2.463 23.900 ( -1.226 0.000 -0.562) 1.349 24.042 ( -2.198 0.000 2.154) 3.077 ======================= Grid point 42 (38/96) ======================= q-point: ( 0.21 -0.07 -0.21) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -23.856 0.000 8.871) 25.452 1.629 ( -23.662 0.000 24.508) 34.067 1.974 ( 7.900 -0.000 14.119) 16.179 2.620 ( -46.094 0.000 12.324) 47.713 2.761 ( 16.404 -0.000 -2.866) 16.652 3.129 ( -1.573 0.000 -0.204) 1.586 3.204 ( -8.952 0.000 -18.685) 20.719 3.330 ( -3.610 0.000 2.004) 4.129 3.681 ( -6.110 0.000 4.946) 7.861 3.774 ( -4.121 0.000 4.119) 5.827 3.990 ( -7.280 0.000 -0.624) 7.306 4.024 ( 2.978 -0.000 -2.033) 3.606 4.031 ( -8.601 0.000 2.573) 8.978 4.229 ( -9.597 0.000 -1.357) 9.693 4.407 ( -0.400 -0.000 7.919) 7.929 4.525 ( -1.511 0.000 7.419) 7.571 4.591 ( -5.136 0.000 6.558) 8.330 5.006 ( 12.379 -0.000 1.095) 12.428 5.136 ( -8.676 0.000 -0.423) 8.686 5.295 ( 6.084 -0.000 -5.762) 8.379 5.428 ( 9.239 -0.000 -0.887) 9.281 5.658 ( 3.381 -0.000 -2.054) 3.956 6.067 ( -8.457 0.000 0.221) 8.460 6.129 ( 11.908 -0.000 -10.173) 15.662 6.131 ( 0.505 -0.000 9.215) 9.229 6.628 ( -2.634 0.000 -9.300) 9.665 6.847 ( 10.571 -0.000 11.497) 15.618 6.934 ( 3.788 -0.000 -9.847) 10.550 7.231 ( 1.175 -0.000 2.043) 2.357 7.949 ( -10.702 0.000 9.459) 14.283 8.174 ( 3.211 -0.000 0.243) 3.220 8.361 ( -9.944 0.000 0.600) 9.962 8.934 ( -1.686 0.000 -0.986) 1.953 9.231 ( 9.278 -0.000 2.278) 9.554 9.259 ( 3.094 -0.000 -14.953) 15.270 9.507 ( -0.251 0.000 -6.244) 6.249 9.671 ( -0.596 0.000 -7.880) 7.902 9.840 ( 3.509 -0.000 9.447) 10.078 9.919 ( -19.333 0.000 6.739) 20.474 10.085 ( -7.965 0.000 -2.343) 8.303 11.050 ( 11.257 -0.000 2.245) 11.479 11.242 ( 10.997 -0.000 0.125) 10.997 11.728 ( -5.313 0.000 -3.641) 6.440 11.853 ( 4.477 -0.000 1.809) 4.829 11.893 ( 1.695 -0.000 -0.480) 1.762 12.018 ( 3.642 -0.000 -1.912) 4.113 12.340 ( 10.500 -0.000 1.584) 10.619 12.523 ( -8.565 0.000 0.801) 8.603 13.122 ( -3.167 0.000 -1.515) 3.511 13.240 ( 7.801 -0.000 0.173) 7.803 14.120 ( 13.048 -0.000 -15.856) 20.534 15.108 ( 3.409 -0.000 -4.656) 5.770 18.136 ( 0.021 -0.000 4.923) 4.923 18.810 ( -6.922 0.000 2.499) 7.359 19.010 ( -1.102 0.000 -4.676) 4.804 19.999 ( 1.200 -0.000 2.742) 2.993 20.485 ( -11.485 0.000 -9.733) 15.055 20.509 ( -2.823 0.000 -3.014) 4.129 21.271 ( 12.509 -0.000 -2.392) 12.735 21.959 ( 14.332 -0.000 -3.924) 14.860 22.935 ( -16.321 0.000 -12.680) 20.668 23.344 ( -2.211 0.000 -1.482) 2.662 23.451 ( 2.345 -0.000 2.921) 3.746 23.705 ( -3.270 0.000 4.800) 5.808 23.883 ( -1.363 0.000 1.758) 2.225 23.929 ( 0.555 -0.000 7.702) 7.722 ======================= Grid point 43 (39/96) ======================= q-point: ( 0.07 -0.07 -0.07) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -34.821 0.000 -0.000) 34.821 0.805 ( -39.566 0.000 -0.000) 39.566 1.355 ( -65.743 0.000 -0.000) 65.743 2.014 ( 7.279 -0.000 0.000) 7.279 3.100 ( -1.156 0.000 -0.000) 1.156 3.117 ( 12.814 -0.000 0.000) 12.814 3.235 ( -3.019 0.000 -0.000) 3.019 3.378 ( -4.315 0.000 -0.000) 4.315 3.416 ( -6.083 0.000 -0.000) 6.083 3.664 ( -3.081 0.000 -0.000) 3.081 3.865 ( -4.131 0.000 -0.000) 4.131 3.875 ( -10.082 0.000 -0.000) 10.082 3.906 ( -4.642 0.000 -0.000) 4.642 4.229 ( 0.241 -0.000 0.000) 0.241 4.283 ( 6.686 -0.000 0.000) 6.686 4.441 ( 0.212 -0.000 0.000) 0.212 4.513 ( 0.034 -0.000 0.000) 0.034 4.979 ( -6.643 0.000 -0.000) 6.643 5.168 ( 5.245 -0.000 0.000) 5.245 5.456 ( 4.959 -0.000 0.000) 4.959 5.605 ( 5.924 -0.000 0.000) 5.924 5.637 ( -5.023 0.000 -0.000) 5.023 5.901 ( -5.838 0.000 -0.000) 5.838 6.084 ( 3.183 -0.000 0.000) 3.183 6.547 ( 14.037 -0.000 0.000) 14.037 6.717 ( 2.601 -0.000 0.000) 2.601 6.934 ( 6.063 -0.000 0.000) 6.063 7.119 ( 2.146 -0.000 0.000) 2.146 7.259 ( 3.275 -0.000 0.000) 3.275 7.520 ( -14.818 0.000 -0.000) 14.818 8.208 ( 1.010 -0.000 0.000) 1.010 8.218 ( -5.783 0.000 -0.000) 5.783 8.912 ( -0.556 0.000 -0.000) 0.556 9.366 ( 6.153 -0.000 0.000) 6.153 9.464 ( -13.887 0.000 -0.000) 13.887 9.573 ( -1.300 0.000 -0.000) 1.300 9.594 ( 5.980 -0.000 0.000) 5.980 9.745 ( -0.319 0.000 -0.000) 0.319 9.756 ( 1.199 -0.000 0.000) 1.199 9.956 ( -6.353 0.000 -0.000) 6.353 11.221 ( 9.210 -0.000 0.000) 9.210 11.408 ( 6.774 -0.000 0.000) 6.774 11.584 ( -9.150 0.000 -0.000) 9.150 11.911 ( 2.936 -0.000 0.000) 2.936 11.981 ( 3.289 -0.000 0.000) 3.289 12.103 ( 4.273 -0.000 0.000) 4.273 12.355 ( -7.613 0.000 -0.000) 7.613 12.572 ( 12.223 -0.000 0.000) 12.223 13.042 ( -6.572 0.000 -0.000) 6.572 13.360 ( 4.416 -0.000 0.000) 4.416 14.683 ( 14.962 -0.000 0.000) 14.962 15.190 ( 0.622 -0.000 0.000) 0.622 18.089 ( 0.019 -0.000 0.000) 0.019 18.645 ( -5.916 0.000 -0.000) 5.916 19.037 ( -0.626 0.000 -0.000) 0.626 19.982 ( -0.015 0.000 -0.000) 0.015 20.450 ( -4.711 0.000 -0.000) 4.711 20.499 ( -1.018 0.000 -0.000) 1.018 21.554 ( 9.511 -0.000 0.000) 9.511 22.250 ( 9.954 -0.000 0.000) 9.954 23.098 ( -3.075 0.000 -0.000) 3.075 23.345 ( -0.628 0.000 -0.000) 0.628 23.440 ( 0.870 -0.000 0.000) 0.870 23.531 ( 0.019 -0.000 0.000) 0.019 23.600 ( -10.129 0.000 -0.000) 10.129 23.877 ( -0.917 0.000 -0.000) 0.917 ======================= Grid point 44 (40/96) ======================= q-point: ( 0.51 -0.09 0.09) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 10.262 -9.303) 13.851 2.040 ( 0.000 15.758 -8.869) 18.082 2.390 ( 0.000 2.109 5.910) 6.275 3.127 ( 0.000 2.821 1.162) 3.051 3.220 ( -0.000 -1.583 -0.245) 1.601 3.358 ( 0.000 0.362 0.361) 0.511 3.414 ( -0.000 1.927 -8.740) 8.950 3.501 ( -0.000 -8.079 -4.516) 9.256 3.523 ( 0.000 4.405 0.572) 4.442 3.806 ( -0.000 -1.148 -1.607) 1.975 3.873 ( 0.000 -0.842 2.201) 2.356 4.009 ( -0.000 -1.632 1.119) 1.979 4.090 ( 0.000 3.129 0.278) 3.142 4.182 ( 0.000 3.478 2.805) 4.468 4.350 ( 0.000 4.470 1.318) 4.660 4.586 ( -0.000 -5.382 -2.097) 5.776 4.992 ( -0.000 -7.537 8.317) 11.224 5.062 ( -0.000 -4.555 -0.984) 4.661 5.128 ( 0.000 3.132 1.148) 3.336 5.169 ( -0.000 -2.991 -2.494) 3.895 5.240 ( 0.000 1.224 4.601) 4.761 5.538 ( 0.000 0.148 1.175) 1.184 5.607 ( -0.000 2.163 -4.554) 5.042 5.735 ( 0.000 7.713 -9.818) 12.486 6.426 ( 0.000 -0.638 4.219) 4.267 6.776 ( 0.000 -4.165 6.215) 7.482 6.929 ( -0.000 -1.141 0.583) 1.281 7.142 ( -0.000 7.676 -10.528) 13.029 7.602 ( -0.000 -7.647 0.961) 7.707 7.893 ( -0.000 -3.011 1.613) 3.415 8.230 ( -0.000 -5.086 3.240) 6.031 8.392 ( 0.000 8.793 -7.477) 11.542 8.609 ( 0.000 -9.713 21.136) 23.261 8.836 ( 0.000 6.800 -3.043) 7.449 9.134 ( 0.000 9.411 -12.135) 15.356 9.463 ( -0.000 -6.221 2.018) 6.540 9.773 ( -0.000 -1.056 0.703) 1.268 9.875 ( 0.000 2.475 -1.702) 3.003 10.350 ( -0.000 -1.004 -0.832) 1.304 10.545 ( -0.000 -15.250 -3.587) 15.666 11.039 ( 0.000 16.764 -7.106) 18.208 11.645 ( -0.000 -2.707 -1.500) 3.095 11.680 ( 0.000 -0.169 4.625) 4.628 11.817 ( -0.000 -1.029 -1.441) 1.771 11.859 ( -0.000 -0.025 -0.966) 0.966 11.879 ( -0.000 -1.098 0.462) 1.191 11.962 ( 0.000 3.206 2.397) 4.003 12.503 ( 0.000 -0.976 2.002) 2.228 12.719 ( -0.000 -2.622 0.822) 2.748 13.069 ( -0.000 -4.915 4.363) 6.572 13.406 ( 0.000 -0.397 0.917) 1.000 15.122 ( 0.000 0.727 2.689) 2.786 18.458 ( 0.000 3.834 -3.482) 5.179 19.086 ( -0.000 -24.215 14.828) 28.395 19.214 ( -0.000 -4.606 -3.508) 5.790 19.546 ( 0.000 5.242 2.286) 5.719 20.068 ( 0.000 18.664 -18.008) 25.935 20.275 ( -0.000 -1.858 2.377) 3.018 21.099 ( -0.000 -0.839 0.787) 1.150 22.260 ( -0.000 -1.269 0.716) 1.457 22.405 ( 0.000 5.845 -2.451) 6.339 23.270 ( -0.000 -2.160 0.380) 2.193 23.511 ( -0.000 0.759 -2.097) 2.231 23.730 ( 0.000 0.539 0.421) 0.684 24.018 ( 0.000 1.003 -1.034) 1.441 24.217 ( -0.000 -1.473 1.253) 1.934 ======================= Grid point 45 (41/96) ======================= q-point: ( 0.37 -0.09 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -1.579 22.284 -3.015) 22.542 2.189 ( 2.443 -10.917 13.003) 17.153 2.616 ( 19.020 25.219 -4.170) 31.862 3.097 ( -5.877 0.020 1.210) 6.000 3.113 ( 2.008 -1.713 3.582) 4.449 3.285 ( -1.475 3.973 1.171) 4.397 3.406 ( -0.676 11.901 3.394) 12.394 3.515 ( -5.721 -0.553 -4.691) 7.419 3.724 ( 0.824 8.864 -4.892) 10.158 3.867 ( 2.765 6.023 -1.000) 6.702 3.926 ( 6.332 -6.476 -4.170) 9.971 3.976 ( -0.260 -1.607 -3.192) 3.583 4.117 ( 2.856 3.945 2.107) 5.307 4.160 ( 1.219 5.908 3.293) 6.873 4.236 ( 1.478 0.612 0.409) 1.651 4.726 ( -2.198 -9.743 -4.515) 10.961 4.848 ( 9.537 6.659 10.196) 15.468 5.024 ( -12.732 -7.570 -2.028) 14.951 5.075 ( 2.577 0.521 3.505) 4.382 5.145 ( 2.159 4.238 2.739) 5.488 5.319 ( 2.131 -6.903 -4.711) 8.625 5.462 ( -7.039 0.428 1.626) 7.237 5.647 ( 4.817 -8.388 -7.821) 12.439 6.027 ( -0.743 10.067 -11.572) 15.356 6.295 ( 0.329 -1.727 13.186) 13.302 6.583 ( -2.676 -5.759 5.144) 8.172 7.041 ( 0.648 2.110 -1.285) 2.554 7.222 ( -4.896 8.985 -0.878) 10.270 7.601 ( 3.196 -7.958 -0.894) 8.622 7.909 ( 0.191 -7.676 -4.454) 8.877 8.141 ( -0.198 -9.126 4.404) 10.135 8.336 ( 8.212 -3.320 10.173) 13.489 8.508 ( -0.121 12.585 -4.126) 13.245 8.888 ( -3.547 6.624 -4.069) 8.545 9.288 ( -1.545 4.448 -7.068) 8.493 9.456 ( 1.544 -8.698 1.904) 9.037 9.682 ( -3.571 1.791 4.441) 5.973 9.934 ( 2.365 4.401 -1.925) 5.354 10.321 ( -1.050 3.511 3.069) 4.780 10.634 ( -2.653 -7.293 -9.561) 12.314 10.996 ( -19.121 8.625 -7.036) 22.125 11.501 ( -4.662 0.352 6.459) 7.974 11.732 ( 5.598 -0.251 -1.044) 5.700 11.759 ( -4.667 -2.636 -5.052) 7.366 11.852 ( -2.729 -2.239 -2.735) 4.466 11.895 ( 2.450 -0.918 0.520) 2.668 12.235 ( 12.427 -3.799 -2.372) 13.209 12.447 ( 1.550 0.676 4.710) 5.005 12.645 ( -3.384 -4.865 -0.254) 5.932 13.069 ( 6.299 -8.991 3.789) 11.613 13.436 ( 7.404 -4.320 3.329) 9.196 14.962 ( -7.898 1.996 3.755) 8.970 18.584 ( 3.316 5.355 -3.767) 7.340 18.824 ( -0.688 -19.009 9.814) 21.404 19.170 ( 0.476 4.941 5.240) 7.218 19.646 ( 2.612 -2.111 -4.951) 5.983 20.131 ( -4.212 -0.202 -0.925) 4.317 20.523 ( 4.855 6.842 -15.742) 17.838 21.100 ( 0.635 -1.786 -0.185) 1.905 22.025 ( -14.625 -2.896 0.548) 14.919 22.683 ( 15.542 8.317 -2.339) 17.782 23.332 ( 6.470 -2.613 1.208) 7.082 23.575 ( -0.814 1.469 -4.071) 4.404 23.701 ( -0.184 0.568 2.028) 2.114 23.984 ( -5.341 2.008 -1.306) 5.854 24.158 ( -1.597 0.057 2.407) 2.889 ======================= Grid point 46 (42/96) ======================= q-point: ( 0.23 -0.09 0.37) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 8.066 -9.245 15.641) 19.879 2.112 ( 1.705 14.128 -6.443) 15.621 2.581 ( -5.977 15.022 4.825) 16.872 2.897 ( -9.868 3.887 11.287) 15.488 3.001 ( -3.783 -11.038 4.495) 12.504 3.293 ( -9.582 2.290 -1.000) 9.902 3.394 ( 0.912 6.961 -1.116) 7.109 3.522 ( -3.807 6.400 2.587) 7.883 3.855 ( 11.028 15.443 -13.368) 23.212 3.974 ( 4.108 7.712 -2.597) 9.115 4.039 ( 6.714 3.854 -0.692) 7.772 4.164 ( 8.385 3.038 1.740) 9.086 4.227 ( 5.905 0.299 -1.549) 6.112 4.257 ( 7.681 4.894 -5.415) 10.595 4.367 ( 7.761 -1.312 0.118) 7.872 4.682 ( -1.706 -3.499 -0.315) 3.905 4.803 ( -10.595 -6.126 -2.398) 12.471 4.905 ( -1.481 0.527 -0.514) 1.653 5.032 ( -4.090 -0.755 1.632) 4.467 5.104 ( 9.797 13.060 9.639) 18.960 5.265 ( -7.544 -3.859 1.187) 8.556 5.509 ( 4.777 -6.257 -6.331) 10.102 5.804 ( -9.998 -13.839 4.551) 17.669 6.077 ( 1.399 -0.277 -9.634) 9.739 6.176 ( 4.134 3.524 5.613) 7.812 6.471 ( 1.922 -6.543 4.918) 8.408 6.853 ( -12.612 6.334 2.827) 14.393 7.023 ( -5.961 8.189 6.715) 12.152 7.786 ( 6.389 -11.263 -4.748) 13.792 7.965 ( 2.727 -9.148 2.670) 9.912 8.302 ( 6.889 1.157 -9.906) 12.122 8.446 ( 8.798 4.622 -1.046) 9.993 8.581 ( 4.997 2.077 -0.740) 5.462 8.830 ( -6.363 5.519 -1.648) 8.583 9.206 ( -10.114 -2.716 5.040) 11.623 9.531 ( 0.306 -5.859 -1.786) 6.133 9.551 ( 1.504 1.877 -0.687) 2.501 10.037 ( 3.625 8.266 -0.924) 9.073 10.203 ( -3.083 1.080 3.392) 4.710 10.669 ( -15.628 7.728 -2.628) 17.632 10.835 ( -0.338 -4.238 -9.088) 10.034 11.268 ( -6.330 0.603 6.224) 8.898 11.756 ( -1.103 0.820 -0.912) 1.650 11.811 ( -0.993 -1.712 -0.436) 2.026 11.895 ( -2.628 -8.100 -4.961) 9.855 11.984 ( 4.316 2.315 -2.331) 5.424 12.270 ( 1.695 4.590 5.019) 7.009 12.486 ( 0.230 -6.660 -0.049) 6.664 12.637 ( 4.308 -3.547 1.324) 5.735 13.084 ( -3.109 -5.223 0.068) 6.079 13.634 ( 18.218 -18.183 1.925) 25.812 14.757 ( -7.545 9.164 0.564) 11.884 18.569 ( -1.654 -16.030 4.086) 16.625 18.787 ( 1.426 11.600 -0.499) 11.698 19.134 ( 5.337 -1.605 2.871) 6.269 19.677 ( -5.851 7.469 -1.248) 9.570 20.215 ( 11.227 -7.740 -1.677) 13.740 20.833 ( -2.558 -1.681 -11.362) 11.767 21.139 ( 4.853 3.306 0.319) 5.881 21.718 ( -15.643 -6.664 0.299) 17.006 23.028 ( 12.536 5.551 -3.672) 14.194 23.414 ( 4.386 -2.910 2.485) 5.821 23.569 ( -4.464 3.949 -0.688) 5.999 23.635 ( -1.965 -2.100 3.767) 4.739 23.932 ( -2.224 2.413 -3.203) 4.585 24.096 ( -1.123 3.282 1.218) 3.676 ======================= Grid point 47 (43/96) ======================= q-point: ( 0.09 -0.09 0.51) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 12.109 -12.498 -0.000) 17.401 2.159 ( -7.915 -1.042 -0.000) 7.983 2.465 ( -3.039 15.383 0.000) 15.680 2.552 ( -6.212 8.021 0.000) 10.145 2.822 ( -5.730 -15.914 -0.000) 16.914 3.099 ( -6.815 9.538 0.000) 11.723 3.409 ( -3.355 -0.499 -0.000) 3.392 3.438 ( 1.986 9.730 0.000) 9.930 4.086 ( 2.143 -0.332 0.000) 2.169 4.123 ( -2.757 -6.426 -0.000) 6.992 4.238 ( 0.374 1.271 0.000) 1.325 4.250 ( 1.157 6.038 0.000) 6.148 4.309 ( 10.164 7.262 0.000) 12.492 4.412 ( 3.689 -5.275 -0.000) 6.437 4.527 ( 7.167 1.842 0.000) 7.400 4.614 ( -11.131 -0.639 -0.000) 11.150 4.782 ( -2.236 1.039 -0.000) 2.465 4.798 ( 0.405 5.804 0.000) 5.818 4.935 ( -3.498 -4.351 -0.000) 5.583 4.958 ( -1.432 -0.680 -0.000) 1.586 5.464 ( -11.555 -15.636 -0.000) 19.443 5.471 ( 20.536 15.401 0.000) 25.669 5.717 ( 2.871 -7.927 -0.000) 8.431 5.993 ( -6.784 9.759 0.000) 11.886 6.242 ( -0.562 -7.738 -0.000) 7.759 6.448 ( -0.715 5.239 0.000) 5.287 6.681 ( -2.245 -5.382 -0.000) 5.832 6.877 ( -1.588 8.472 0.000) 8.620 7.894 ( -0.531 -14.923 -0.000) 14.932 8.015 ( 4.962 -5.902 -0.000) 7.711 8.499 ( -2.037 9.838 0.000) 10.046 8.561 ( 0.856 5.548 0.000) 5.614 8.670 ( 6.143 0.380 0.000) 6.154 8.868 ( -10.701 -0.266 -0.000) 10.704 8.981 ( 14.695 -7.560 0.000) 16.526 9.418 ( -9.686 9.466 0.000) 13.543 9.682 ( 4.885 -12.352 -0.000) 13.283 9.996 ( -3.329 8.868 0.000) 9.472 10.233 ( 5.241 0.093 0.000) 5.242 10.435 ( -10.560 3.965 -0.000) 11.280 10.985 ( 3.917 0.857 0.000) 4.010 11.065 ( -7.323 -1.923 -0.000) 7.571 11.738 ( -5.118 -6.504 -0.000) 8.276 11.783 ( 2.588 5.698 0.000) 6.258 11.904 ( 1.861 -7.010 -0.000) 7.253 12.027 ( -1.612 1.698 0.000) 2.342 12.363 ( -9.672 -10.014 -0.000) 13.923 12.372 ( 11.964 12.333 0.000) 17.183 12.795 ( 10.885 0.654 0.000) 10.905 12.960 ( -8.163 -1.859 -0.000) 8.372 13.976 ( 16.497 -21.931 -0.000) 27.443 14.622 ( -7.452 17.411 0.000) 18.939 18.498 ( -1.153 -16.920 -0.000) 16.959 18.789 ( -0.278 13.634 0.000) 13.637 19.239 ( 6.091 -6.165 -0.000) 8.667 19.555 ( -6.307 10.836 0.000) 12.538 20.536 ( 17.108 -3.567 0.000) 17.476 20.801 ( -9.571 -3.013 -0.000) 10.034 21.309 ( 11.144 7.149 0.000) 13.240 21.410 ( -15.017 -8.574 -0.000) 17.292 23.271 ( 7.757 2.149 0.000) 8.049 23.415 ( -4.109 -1.028 -0.000) 4.235 23.471 ( -0.207 1.210 0.000) 1.228 23.550 ( -2.879 -0.675 -0.000) 2.957 23.967 ( 1.356 0.085 0.000) 1.359 24.052 ( -2.856 2.935 0.000) 4.095 ======================= Grid point 49 (44/96) ======================= q-point: (-0.20 -0.09 -0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -21.993 1.055 -14.665) 26.455 2.376 ( -3.554 1.507 -8.709) 9.527 2.422 ( 2.865 -14.897 -11.361) 18.953 2.923 ( 3.020 -18.846 -6.403) 20.132 2.977 ( -13.571 -9.591 6.693) 17.915 3.209 ( 4.965 -0.252 0.135) 4.973 3.329 ( 1.704 -0.206 -2.394) 2.946 3.435 ( -1.437 -9.961 -6.395) 11.924 3.553 ( 0.898 5.585 0.014) 5.657 3.799 ( -1.025 -1.907 0.298) 2.185 3.978 ( -2.437 0.073 5.626) 6.131 4.098 ( -7.811 -4.087 -1.705) 8.979 4.139 ( -5.496 2.366 -1.833) 6.258 4.270 ( -10.852 0.654 2.662) 11.193 4.368 ( -4.751 0.549 0.732) 4.838 4.777 ( 5.057 3.488 -0.583) 6.171 4.876 ( 2.978 -4.118 0.739) 5.135 4.886 ( 1.490 1.486 -2.652) 3.386 5.110 ( 0.902 1.806 -3.972) 4.455 5.169 ( -1.764 0.233 -7.598) 7.804 5.327 ( 7.016 4.311 2.299) 8.550 5.443 ( -1.340 -0.738 5.095) 5.319 5.758 ( 2.869 2.566 12.194) 12.787 5.975 ( -0.784 4.749 10.702) 11.735 6.419 ( -7.488 -0.686 -15.606) 17.322 6.584 ( 1.775 -2.651 -3.429) 4.683 6.911 ( 6.503 -2.734 -3.911) 8.066 6.979 ( 5.384 -1.176 -8.288) 9.953 7.726 ( -2.241 -10.097 12.601) 16.302 7.976 ( 1.163 -0.317 1.471) 1.902 8.216 ( -7.196 8.425 -4.319) 11.892 8.360 ( -1.987 -5.603 2.237) 6.352 8.694 ( -0.582 5.702 -0.286) 5.739 8.783 ( 1.935 6.720 3.432) 7.790 9.173 ( -0.205 -0.061 7.083) 7.086 9.500 ( 6.991 -4.880 -5.813) 10.319 9.739 ( -8.547 4.418 -2.135) 9.855 9.891 ( -1.419 -2.177 -0.198) 2.606 10.213 ( 0.290 -4.475 -3.817) 5.888 10.353 ( 6.211 -13.098 5.695) 15.575 10.831 ( 7.594 9.256 5.715) 13.267 11.317 ( 11.475 -1.723 -1.598) 11.713 11.701 ( 0.175 -1.810 2.353) 2.974 11.806 ( 1.955 2.235 2.271) 3.738 11.898 ( -5.171 -0.771 1.511) 5.442 11.962 ( 1.023 2.153 1.361) 2.745 12.334 ( 3.425 -0.272 -4.782) 5.889 12.573 ( -7.958 1.047 -0.889) 8.076 12.743 ( -0.369 8.911 3.302) 9.510 13.156 ( 5.671 3.124 1.102) 6.567 13.890 ( -17.750 5.190 5.782) 19.376 14.698 ( 14.859 2.783 -3.562) 15.532 18.541 ( -4.199 -9.498 -3.047) 10.823 18.880 ( 0.893 -0.479 -5.362) 5.456 19.388 ( 3.539 -5.753 5.015) 8.413 19.484 ( 1.355 11.264 -6.970) 13.315 20.234 ( -8.563 4.670 9.685) 13.745 20.537 ( -4.542 -3.612 10.840) 12.295 21.143 ( 0.235 1.653 0.337) 1.704 21.805 ( 14.928 3.197 1.966) 15.393 22.878 ( -16.017 -2.982 0.791) 16.311 23.435 ( -3.666 -5.014 -0.760) 6.258 23.559 ( 3.149 1.300 -2.750) 4.379 23.728 ( -4.074 0.646 -0.665) 4.178 23.842 ( 4.078 0.743 2.586) 4.885 24.081 ( 3.591 -1.675 -2.913) 4.919 ======================= Grid point 51 (45/96) ======================= q-point: ( 0.10 -0.10 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 37.947 0.000) 37.947 0.788 ( 0.000 39.907 0.000) 39.907 1.183 ( 0.000 58.716 0.000) 58.716 2.290 ( 0.000 18.577 0.000) 18.577 2.867 ( -0.000 -16.288 -0.000) 16.288 3.205 ( 0.000 0.569 0.000) 0.569 3.295 ( -0.000 -2.775 -0.000) 2.775 3.338 ( 0.000 7.524 0.000) 7.524 3.448 ( 0.000 9.118 0.000) 9.118 3.739 ( 0.000 5.241 0.000) 5.241 3.748 ( 0.000 0.178 0.000) 0.178 3.852 ( 0.000 2.649 0.000) 2.649 4.021 ( 0.000 2.019 0.000) 2.019 4.303 ( -0.000 -4.311 -0.000) 4.311 4.381 ( 0.000 2.130 0.000) 2.130 4.474 ( -0.000 -5.319 -0.000) 5.319 4.542 ( 0.000 8.594 0.000) 8.594 4.867 ( -0.000 -0.065 -0.000) 0.065 5.124 ( -0.000 -6.121 -0.000) 6.121 5.545 ( 0.000 4.802 0.000) 4.802 5.649 ( -0.000 -3.046 -0.000) 3.046 5.717 ( 0.000 10.440 0.000) 10.440 5.732 ( -0.000 -9.839 -0.000) 9.839 6.354 ( -0.000 -8.255 -0.000) 8.255 6.745 ( 0.000 0.600 0.000) 0.600 6.774 ( -0.000 -13.513 -0.000) 13.513 6.796 ( -0.000 -21.286 -0.000) 21.286 7.523 ( 0.000 10.676 0.000) 10.676 7.622 ( 0.000 23.505 0.000) 23.505 7.756 ( -0.000 -3.455 -0.000) 3.455 7.992 ( 0.000 1.443 0.000) 1.443 8.077 ( -0.000 -8.068 -0.000) 8.068 8.269 ( 0.000 3.831 0.000) 3.831 8.922 ( -0.000 -1.479 -0.000) 1.479 9.334 ( 0.000 1.096 0.000) 1.096 9.467 ( 0.000 3.311 0.000) 3.311 9.636 ( -0.000 -2.430 -0.000) 2.430 9.767 ( 0.000 1.508 0.000) 1.508 9.954 ( 0.000 5.983 0.000) 5.983 11.049 ( 0.000 0.681 0.000) 0.681 11.456 ( -0.000 -2.208 -0.000) 2.208 11.460 ( 0.000 2.249 0.000) 2.249 11.602 ( -0.000 -3.231 -0.000) 3.231 11.885 ( -0.000 -3.739 -0.000) 3.739 12.131 ( -0.000 -4.856 -0.000) 4.856 12.222 ( -0.000 -2.146 -0.000) 2.146 12.255 ( 0.000 3.504 0.000) 3.504 12.690 ( -0.000 -4.703 -0.000) 4.703 12.899 ( -0.000 -3.482 -0.000) 3.482 13.084 ( -0.000 -6.679 -0.000) 6.679 13.395 ( -0.000 -0.923 -0.000) 0.923 14.842 ( 0.000 0.718 0.000) 0.718 18.190 ( 0.000 9.944 0.000) 9.944 18.609 ( 0.000 2.810 0.000) 2.810 19.673 ( -0.000 -24.292 -0.000) 24.292 19.981 ( -0.000 -0.465 -0.000) 0.465 20.427 ( -0.000 -6.328 -0.000) 6.328 20.591 ( 0.000 12.430 0.000) 12.430 21.504 ( -0.000 -11.435 -0.000) 11.435 22.152 ( 0.000 10.041 0.000) 10.041 22.363 ( -0.000 -1.751 -0.000) 1.751 23.363 ( 0.000 1.777 0.000) 1.777 23.494 ( 0.000 1.210 0.000) 1.210 23.541 ( 0.000 1.480 0.000) 1.480 23.896 ( 0.000 2.724 0.000) 2.724 24.097 ( -0.000 -0.261 -0.000) 0.261 ======================= Grid point 53 (46/96) ======================= q-point: (-0.19 -0.10 0.39) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 16.078 9.938 -12.551) 22.689 2.173 ( 5.820 7.703 -20.619) 22.767 2.416 ( 6.488 -0.095 -15.916) 17.188 2.603 ( -5.609 5.424 -3.829) 8.692 2.888 ( 10.863 -0.452 7.163) 13.020 3.140 ( 10.767 13.131 -11.428) 20.468 3.193 ( 0.597 3.912 1.466) 4.220 3.367 ( 2.254 -0.407 -1.287) 2.627 3.694 ( 2.260 -7.296 -5.415) 9.363 3.793 ( 2.673 -1.112 -1.142) 3.112 3.973 ( -0.644 -0.151 4.168) 4.220 4.080 ( 10.739 -1.521 -0.467) 10.856 4.115 ( 7.048 6.827 -4.078) 10.626 4.282 ( 4.532 -0.262 -0.795) 4.609 4.403 ( -1.672 -1.805 1.291) 2.778 4.656 ( 7.835 7.521 -7.131) 12.992 4.819 ( 0.548 2.258 -1.738) 2.902 4.960 ( -6.310 -3.952 0.992) 7.512 5.115 ( 6.830 2.429 1.834) 7.478 5.191 ( -8.644 -1.696 -1.826) 8.996 5.380 ( -4.681 1.486 6.564) 8.198 5.552 ( -5.852 -11.848 -1.013) 13.254 5.830 ( -4.063 -5.881 7.631) 10.456 6.087 ( -0.360 -3.673 11.834) 12.396 6.374 ( 5.723 2.329 -9.072) 10.976 6.471 ( -2.967 6.852 -5.269) 9.139 6.842 ( -2.681 4.596 4.435) 6.927 7.029 ( -3.197 -4.520 -13.657) 14.737 7.426 ( -0.345 15.268 4.186) 15.836 8.019 ( 2.823 -2.858 -0.961) 4.131 8.233 ( -1.332 6.004 3.672) 7.163 8.387 ( 9.056 -7.723 -6.984) 13.800 8.796 ( -5.206 -4.305 6.883) 9.645 8.940 ( -0.539 -6.844 5.057) 8.527 9.209 ( 3.253 -3.288 6.101) 7.656 9.406 ( -5.121 3.886 -4.434) 7.810 9.648 ( -0.833 8.463 6.654) 10.798 9.972 ( 10.511 -5.353 -3.346) 12.261 10.111 ( -1.001 9.859 -1.808) 10.073 10.127 ( 5.583 3.982 -4.460) 8.180 11.004 ( -12.279 -7.388 2.201) 14.498 11.277 ( -11.792 2.140 -1.820) 12.122 11.664 ( 1.548 1.689 3.171) 3.912 11.849 ( -2.785 -1.498 2.575) 4.078 11.885 ( 2.564 -0.257 0.859) 2.716 11.978 ( -4.252 0.641 1.934) 4.715 12.351 ( -5.940 -1.440 -2.566) 6.628 12.560 ( 8.330 1.251 -1.300) 8.523 12.952 ( 2.512 -10.493 4.499) 11.690 13.206 ( -6.152 -1.767 1.968) 6.696 13.865 ( 7.490 5.505 13.593) 16.467 14.881 ( -9.041 -12.546 -1.594) 15.546 18.356 ( 1.253 8.008 -7.524) 11.059 18.856 ( 5.119 0.984 -2.638) 5.842 19.085 ( -4.309 16.006 8.346) 18.558 19.861 ( 0.660 -17.777 -6.838) 19.059 20.318 ( 8.590 -2.425 10.687) 13.924 20.454 ( 4.504 3.873 5.895) 8.369 21.186 ( -4.153 -2.185 2.309) 5.230 21.851 ( -13.778 -1.484 4.325) 14.517 22.848 ( 15.799 0.350 -1.271) 15.854 23.349 ( 3.211 3.340 0.837) 4.708 23.542 ( -4.558 2.153 -3.508) 6.141 23.736 ( 7.749 -0.465 -0.213) 7.766 23.867 ( -2.210 -0.858 1.555) 2.835 24.067 ( -4.282 -0.301 -4.786) 6.429 ======================= Grid point 54 (47/96) ======================= q-point: (-0.33 -0.10 0.53) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -3.855 16.883 -1.133) 17.354 2.543 ( 1.445 -1.763 -6.853) 7.222 2.586 ( -1.742 10.953 -2.540) 11.378 2.863 ( 3.004 15.185 -3.202) 15.807 2.987 ( 7.366 -8.270 -8.161) 13.757 3.143 ( -0.331 -0.045 -0.138) 0.361 3.412 ( 6.362 -1.151 0.055) 6.466 3.571 ( 1.484 -11.262 -8.009) 13.899 3.715 ( -2.319 -6.375 3.424) 7.599 3.882 ( 4.739 3.014 1.248) 5.753 3.988 ( 0.027 -5.765 -0.668) 5.803 4.184 ( 4.072 -3.544 0.744) 5.449 4.257 ( 2.739 4.547 5.829) 7.884 4.328 ( 3.612 9.118 -2.743) 10.184 4.496 ( 3.257 0.230 -3.837) 5.038 4.689 ( -2.281 -3.389 2.264) 4.671 4.747 ( -5.548 -6.686 0.392) 8.697 5.000 ( 6.138 -2.229 -0.906) 6.593 5.132 ( -3.515 8.024 -4.127) 9.684 5.207 ( 2.426 -3.128 2.919) 4.918 5.315 ( -1.322 -2.957 -4.846) 5.829 5.531 ( 2.162 -3.918 -2.978) 5.375 5.592 ( -3.236 -1.358 6.328) 7.236 5.805 ( -4.908 -3.755 10.274) 11.990 6.519 ( 0.576 16.227 -1.379) 16.295 6.591 ( 2.356 5.508 -1.264) 6.123 6.870 ( 0.383 -0.644 -7.069) 7.108 7.364 ( 0.743 -5.616 -18.805) 19.640 7.385 ( 5.291 3.860 -0.313) 6.557 7.931 ( -4.057 -5.599 17.791) 19.087 8.046 ( -2.745 9.273 4.825) 10.808 8.409 ( -4.960 1.474 6.653) 8.428 8.633 ( 1.638 -8.820 -5.435) 10.489 8.898 ( -0.544 -9.221 0.926) 9.284 9.232 ( 3.457 3.802 1.370) 5.318 9.403 ( -3.093 3.349 -4.094) 6.127 9.486 ( -1.791 9.209 5.209) 10.731 10.126 ( 5.681 1.939 1.777) 6.260 10.235 ( 1.335 1.165 -3.923) 4.304 10.446 ( 8.829 -11.933 -7.957) 16.842 10.778 ( -0.224 -1.991 3.777) 4.276 10.979 ( -16.439 -0.218 1.920) 16.552 11.631 ( 0.363 1.643 0.982) 1.948 11.800 ( 0.884 1.737 0.751) 2.089 11.846 ( -2.640 2.709 1.928) 4.246 11.964 ( 2.111 1.019 -0.032) 2.345 12.316 ( -2.384 1.393 -1.948) 3.379 12.741 ( 5.684 1.455 -1.804) 6.139 12.880 ( -1.250 -11.031 3.718) 11.708 13.062 ( -3.829 -2.512 1.035) 4.695 13.749 ( -0.301 14.455 3.919) 14.979 14.758 ( -3.139 -11.965 0.557) 12.383 18.544 ( 1.243 7.160 -8.269) 11.009 18.851 ( -0.945 13.781 8.424) 16.179 18.975 ( 1.001 -1.938 -1.257) 2.518 19.972 ( -1.047 -14.902 -4.076) 15.485 20.329 ( 7.476 -2.299 4.683) 9.116 20.403 ( -0.339 1.347 3.498) 3.764 21.175 ( 3.639 2.049 -1.172) 4.338 21.508 ( -11.655 -1.602 3.111) 12.169 23.135 ( 8.117 1.856 -2.271) 8.631 23.409 ( 3.397 1.663 0.801) 3.867 23.487 ( -5.932 1.768 -2.389) 6.635 23.768 ( -2.369 -1.886 1.054) 3.206 23.891 ( 6.274 -0.177 1.267) 6.403 24.056 ( -3.182 -2.227 -1.857) 4.305 ======================= Grid point 58 (48/96) ======================= q-point: (-0.31 -0.11 0.11) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -0.000 0.338 -22.186) 22.188 1.926 ( -0.000 5.374 -20.878) 21.558 2.535 ( 0.000 11.338 -8.200) 13.993 2.986 ( -0.000 -14.069 -15.456) 20.900 3.058 ( -0.000 -10.384 -13.820) 17.286 3.256 ( 0.000 4.167 0.856) 4.254 3.323 ( -0.000 -0.522 -5.900) 5.923 3.351 ( -0.000 0.058 -1.664) 1.665 3.453 ( 0.000 5.743 -0.869) 5.809 3.728 ( -0.000 -3.779 -1.443) 4.045 3.802 ( -0.000 -7.419 -0.450) 7.433 3.940 ( -0.000 -2.855 -3.509) 4.524 4.172 ( -0.000 -14.774 -8.972) 17.285 4.239 ( 0.000 5.334 4.110) 6.734 4.454 ( 0.000 5.715 -1.076) 5.815 4.543 ( 0.000 3.009 5.841) 6.570 4.760 ( -0.000 -9.997 3.030) 10.446 4.952 ( -0.000 -6.603 -2.456) 7.045 5.040 ( 0.000 0.782 0.726) 1.067 5.329 ( -0.000 -6.515 8.269) 10.527 5.466 ( 0.000 13.274 8.498) 15.761 5.610 ( 0.000 13.429 -8.042) 15.652 5.743 ( 0.000 4.211 10.630) 11.434 5.865 ( 0.000 7.521 5.333) 9.220 6.396 ( -0.000 -6.152 -1.961) 6.457 6.825 ( -0.000 -5.205 -9.778) 11.077 6.865 ( 0.000 1.003 6.779) 6.852 6.970 ( -0.000 -0.568 -8.268) 8.287 7.412 ( -0.000 -12.532 0.541) 12.543 8.057 ( 0.000 4.606 9.168) 10.260 8.204 ( -0.000 -4.309 3.907) 5.816 8.258 ( -0.000 2.539 -14.227) 14.452 8.879 ( 0.000 -1.760 18.925) 19.006 8.970 ( 0.000 7.675 -2.107) 7.959 9.063 ( -0.000 10.090 -18.186) 20.798 9.339 ( -0.000 -12.634 5.522) 13.788 9.658 ( -0.000 -4.891 -2.416) 5.455 9.874 ( 0.000 2.609 -3.021) 3.991 10.144 ( -0.000 -8.636 -6.763) 10.969 10.286 ( -0.000 -9.933 3.358) 10.485 11.328 ( 0.000 13.897 0.694) 13.914 11.526 ( -0.000 -2.918 -1.821) 3.439 11.642 ( -0.000 -2.760 -2.901) 4.004 11.859 ( 0.000 0.085 3.591) 3.592 11.902 ( 0.000 3.021 2.875) 4.170 11.938 ( 0.000 1.128 5.119) 5.241 12.297 ( 0.000 11.335 9.406) 14.730 12.424 ( -0.000 -3.807 -3.141) 4.935 12.765 ( 0.000 -0.283 5.192) 5.200 13.054 ( -0.000 -4.475 4.383) 6.264 13.417 ( 0.000 0.175 0.357) 0.398 15.214 ( 0.000 4.332 1.808) 4.694 18.424 ( -0.000 1.674 -6.784) 6.987 18.834 ( -0.000 -10.302 -8.132) 13.125 18.927 ( -0.000 -22.149 15.704) 27.152 19.852 ( 0.000 7.591 4.919) 9.045 20.118 ( 0.000 13.161 -10.943) 17.116 20.313 ( 0.000 0.289 3.786) 3.797 21.170 ( 0.000 2.205 5.230) 5.676 22.274 ( 0.000 -0.326 2.303) 2.325 22.385 ( -0.000 3.775 -9.784) 10.487 23.224 ( -0.000 -2.886 1.487) 3.247 23.515 ( 0.000 0.548 -0.038) 0.549 23.701 ( -0.000 -1.739 -2.788) 3.286 23.985 ( -0.000 -0.487 -2.585) 2.630 24.213 ( 0.000 -0.721 1.757) 1.899 ======================= Grid point 59 (49/96) ======================= q-point: (-0.46 -0.11 0.26) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 1.224 -2.999 -0.465) 3.273 2.267 ( 8.303 10.652 -7.678) 15.536 2.871 ( 13.279 17.065 -11.409) 24.448 3.024 ( -8.675 -7.317 -4.407) 12.175 3.079 ( -13.140 -4.166 -3.565) 14.238 3.311 ( -2.096 -0.771 -0.595) 2.311 3.366 ( -3.781 1.483 -5.334) 6.704 3.432 ( 2.917 -3.136 -13.071) 13.755 3.629 ( 10.581 0.830 -0.200) 10.616 3.785 ( 4.158 -0.015 -0.239) 4.165 3.928 ( 4.653 1.173 -3.302) 5.825 4.039 ( 0.809 1.369 0.706) 1.740 4.098 ( -1.861 -2.221 -3.065) 4.217 4.290 ( -1.008 0.470 -1.383) 1.774 4.358 ( 2.233 8.534 4.463) 9.885 4.640 ( 5.723 -0.007 2.786) 6.365 4.808 ( 7.759 -15.703 -4.669) 18.127 4.943 ( -4.895 -6.253 2.967) 8.478 5.034 ( -0.634 0.490 -0.490) 0.940 5.165 ( 1.960 -1.327 1.069) 2.598 5.363 ( 1.434 7.099 5.804) 9.281 5.503 ( -5.764 0.184 5.714) 8.119 5.707 ( -1.341 6.621 4.343) 8.031 5.931 ( -0.492 11.464 -14.912) 18.816 6.404 ( 0.431 -7.350 4.716) 8.743 6.568 ( -5.919 -5.333 5.188) 9.508 7.032 ( 8.366 -1.116 0.136) 8.441 7.275 ( -0.651 6.475 -13.885) 15.334 7.453 ( 3.841 -6.476 -1.897) 7.765 7.809 ( -4.135 -1.640 10.869) 11.744 8.067 ( -3.307 -7.988 7.521) 11.459 8.490 ( -5.098 4.792 -13.217) 14.955 8.549 ( 7.229 -1.693 16.862) 18.424 8.997 ( -1.958 8.621 -3.131) 9.379 9.257 ( 1.978 -8.063 3.553) 9.030 9.329 ( -3.944 4.446 -8.831) 10.645 9.683 ( -2.469 -4.522 -1.863) 5.478 9.952 ( 1.808 3.349 -3.586) 5.229 10.273 ( 0.025 -4.096 -4.701) 6.235 10.323 ( 3.286 -6.061 -7.154) 9.936 11.183 ( -15.680 13.426 0.213) 20.644 11.578 ( -7.826 -2.198 -3.489) 8.845 11.583 ( -2.568 -2.592 0.809) 3.737 11.680 ( 1.277 -1.647 4.333) 4.808 11.869 ( -0.224 1.232 0.225) 1.272 11.924 ( 0.742 -0.741 2.872) 3.058 12.295 ( 11.638 5.843 3.464) 13.475 12.508 ( 4.123 -2.736 -1.010) 5.051 12.628 ( -1.070 2.769 6.375) 7.032 13.013 ( 4.942 -8.061 7.703) 12.196 13.432 ( 3.825 -2.288 2.814) 5.271 15.076 ( -7.247 3.211 2.819) 8.413 18.572 ( 0.410 -0.910 -0.752) 1.249 18.682 ( 3.196 -10.977 5.784) 12.813 19.015 ( 0.519 -9.315 -8.131) 12.375 19.808 ( 6.857 8.903 6.140) 12.806 20.169 ( -4.505 2.929 1.392) 5.551 20.390 ( 2.082 4.467 -9.966) 11.118 21.101 ( 0.798 0.246 1.840) 2.021 22.003 ( -15.623 -1.705 1.977) 15.840 22.779 ( 15.132 7.587 -5.732) 17.872 23.256 ( 4.732 -5.362 -0.031) 7.152 23.558 ( 2.832 1.883 -0.764) 3.485 23.714 ( -2.187 -0.998 -0.701) 2.504 23.978 ( -5.301 0.753 -2.027) 5.725 24.174 ( -0.619 -0.784 0.728) 1.236 ======================= Grid point 60 (50/96) ======================= q-point: ( 0.40 -0.11 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.421 -9.951 13.977) 17.162 2.381 ( -1.795 16.464 -1.679) 16.646 2.745 ( -11.620 -5.293 3.175) 13.157 2.917 ( -7.112 -4.838 1.530) 8.737 3.102 ( -3.584 -3.905 8.626) 10.124 3.304 ( -0.560 3.358 -3.475) 4.865 3.481 ( 4.241 4.954 0.644) 6.553 3.614 ( -7.438 0.578 -15.472) 17.176 3.805 ( 4.276 2.810 3.630) 6.274 3.937 ( 0.966 -1.994 -6.816) 7.167 4.042 ( 3.819 3.525 -7.072) 8.776 4.131 ( 6.864 3.753 -4.212) 8.885 4.255 ( 0.826 3.031 -6.752) 7.447 4.304 ( 7.933 2.903 -0.931) 8.499 4.502 ( 8.661 4.037 -0.059) 9.556 4.568 ( -0.368 5.096 7.818) 9.339 4.728 ( -2.293 -1.032 -0.364) 2.541 4.975 ( -7.238 0.332 1.422) 7.383 5.047 ( 1.932 -4.275 -2.233) 5.196 5.231 ( -0.505 0.639 0.363) 0.892 5.308 ( 2.592 -2.438 3.890) 5.272 5.498 ( 6.763 6.827 0.971) 9.659 5.592 ( -1.565 -3.207 -2.964) 4.639 5.912 ( -6.475 -6.994 3.611) 10.192 6.401 ( 4.813 3.409 -1.893) 6.195 6.455 ( -1.728 -3.730 6.464) 7.661 7.060 ( -4.673 5.436 4.652) 8.546 7.263 ( -7.356 4.289 6.807) 10.902 7.509 ( -0.358 -9.094 0.446) 9.112 7.788 ( 7.838 -4.868 -5.681) 10.835 7.986 ( 5.018 -9.522 -5.940) 12.293 8.529 ( 6.901 2.733 2.275) 7.763 8.579 ( -3.057 2.358 -4.778) 6.143 8.992 ( -4.390 9.038 -1.477) 10.156 9.251 ( -1.584 -9.053 0.620) 9.211 9.306 ( -3.156 1.997 -1.139) 3.905 9.632 ( -2.987 0.244 -0.386) 3.022 10.098 ( 5.126 4.654 -4.615) 8.320 10.302 ( -2.977 -0.791 2.358) 3.879 10.580 ( 6.801 -2.674 -8.602) 11.287 10.797 ( -17.203 8.587 1.544) 19.289 11.342 ( -13.354 -0.674 -0.238) 13.373 11.648 ( -0.028 -3.723 -2.880) 4.707 11.706 ( 3.203 -4.033 1.445) 5.349 11.852 ( -0.428 1.439 -1.656) 2.235 11.931 ( 1.554 -1.625 -1.035) 2.475 12.383 ( -2.650 -3.202 0.797) 4.232 12.549 ( 8.166 10.883 7.481) 15.527 12.630 ( 8.362 -1.187 0.655) 8.471 12.987 ( 3.628 -7.275 3.172) 8.726 13.446 ( 6.863 -9.085 5.276) 12.549 14.916 ( -4.967 6.352 -0.260) 8.068 18.399 ( -0.615 -12.384 9.313) 15.508 18.863 ( 4.565 3.701 -6.373) 8.669 19.103 ( -3.559 -3.659 -4.100) 6.547 19.870 ( 5.312 9.762 4.556) 12.012 20.112 ( 7.526 -2.786 1.611) 8.185 20.606 ( -1.833 0.816 -10.898) 11.082 21.158 ( 4.811 1.054 -2.359) 5.461 21.641 ( -15.986 -3.704 2.796) 16.646 23.101 ( 9.404 7.240 -2.711) 12.174 23.365 ( 4.361 -5.931 0.399) 7.373 23.622 ( 2.271 2.134 0.532) 3.161 23.641 ( -4.555 -1.810 1.186) 5.043 23.913 ( -4.074 1.894 -3.111) 5.465 24.152 ( -1.459 1.293 0.011) 1.950 ======================= Grid point 61 (51/96) ======================= q-point: ( 0.26 -0.11 -0.46) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 5.672 -14.663 11.730) 19.616 2.264 ( -10.504 6.022 2.978) 12.469 2.498 ( -11.250 -9.671 1.009) 14.870 2.665 ( -8.596 -4.947 6.310) 11.755 2.941 ( 1.712 14.813 3.595) 15.339 3.257 ( -2.451 5.255 3.497) 6.771 3.450 ( -2.703 1.951 1.705) 3.745 3.637 ( -6.927 6.918 -6.305) 11.645 3.869 ( -3.525 -6.159 -4.428) 8.365 3.981 ( -3.242 -2.338 -3.462) 5.288 4.206 ( -2.159 -4.374 -4.906) 6.918 4.251 ( -0.564 0.617 -4.346) 4.426 4.334 ( -4.194 0.866 1.073) 4.415 4.403 ( 8.423 4.104 4.020) 10.195 4.470 ( -3.835 -4.403 -0.560) 5.866 4.717 ( -6.033 5.478 1.939) 8.376 4.744 ( 3.333 1.156 -4.724) 5.896 4.877 ( 2.596 3.213 -3.923) 5.696 5.011 ( 1.660 4.976 6.400) 8.275 5.130 ( 1.371 5.733 8.636) 10.456 5.226 ( -10.602 -12.805 4.179) 17.141 5.469 ( 5.382 -6.182 -5.382) 9.806 5.745 ( 11.568 8.531 -4.273) 14.995 6.101 ( 4.572 -4.217 -6.063) 8.686 6.232 ( -2.048 3.365 7.876) 8.806 6.468 ( 4.921 -1.429 4.967) 7.136 6.745 ( -10.585 6.903 4.561) 13.435 7.030 ( -4.975 2.554 3.307) 6.497 7.494 ( -4.855 -17.615 -3.399) 18.585 7.945 ( 7.856 -2.629 2.404) 8.626 8.421 ( 1.150 -7.712 -9.536) 12.318 8.539 ( -3.305 4.903 -9.819) 11.462 8.717 ( 12.944 1.093 3.177) 13.373 8.885 ( -2.965 6.244 0.315) 6.919 9.087 ( -1.940 2.026 5.483) 6.159 9.406 ( 3.784 -6.825 -3.799) 8.679 9.622 ( -1.841 5.480 -1.048) 5.876 10.068 ( -5.971 -4.415 6.304) 9.741 10.318 ( 3.758 7.528 -5.012) 9.794 10.498 ( -9.955 7.357 0.235) 12.381 10.891 ( 6.131 -2.237 -5.928) 8.817 11.037 ( -15.419 -4.628 0.796) 16.119 11.657 ( 0.075 -1.924 1.462) 2.418 11.741 ( 3.064 -4.639 -1.066) 5.661 11.901 ( 2.939 2.461 0.086) 3.835 12.001 ( 0.727 -1.533 -2.770) 3.248 12.239 ( -7.542 -4.239 2.230) 8.935 12.642 ( 9.563 10.777 2.373) 14.602 12.811 ( 10.806 0.497 0.198) 10.820 12.965 ( -1.402 1.628 1.608) 2.684 13.595 ( 15.269 -17.119 1.243) 22.973 14.897 ( -1.129 11.818 -2.728) 12.182 18.250 ( -0.190 -11.675 5.206) 12.784 18.976 ( -1.946 5.411 -0.712) 5.795 19.116 ( -0.185 -4.456 -3.722) 5.809 19.806 ( -1.022 10.946 3.129) 11.431 20.433 ( 19.453 -2.317 -3.264) 19.861 20.694 ( -5.608 -1.251 -5.711) 8.101 21.257 ( -12.761 -6.370 0.906) 14.291 21.399 ( 8.474 3.256 -1.660) 9.229 23.283 ( 4.113 2.955 -3.251) 6.018 23.377 ( -1.889 -2.181 -0.448) 2.920 23.499 ( -5.473 -1.706 1.397) 5.900 23.611 ( 1.836 1.666 5.651) 6.171 23.944 ( -0.518 0.320 -2.767) 2.833 24.102 ( -4.017 2.002 -0.077) 4.489 ======================= Grid point 62 (52/96) ======================= q-point: ( 0.11 -0.11 -0.31) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 10.113 -19.382 -0.000) 21.861 1.873 ( -20.181 2.285 -0.000) 20.310 2.162 ( -22.931 -8.293 -0.000) 24.385 2.540 ( 3.802 -1.903 0.000) 4.252 2.979 ( 1.239 11.668 0.000) 11.733 3.179 ( -0.151 1.109 0.000) 1.119 3.364 ( -3.337 1.680 -0.000) 3.736 3.614 ( -6.250 6.906 0.000) 9.314 3.793 ( -7.204 -3.177 -0.000) 7.873 3.862 ( -17.245 -6.770 -0.000) 18.526 4.126 ( -6.669 -3.493 -0.000) 7.528 4.172 ( -5.812 -1.816 -0.000) 6.089 4.221 ( -5.045 -8.667 -0.000) 10.028 4.349 ( -10.305 -1.693 -0.000) 10.443 4.491 ( -0.617 -5.937 -0.000) 5.969 4.605 ( 3.955 4.480 0.000) 5.976 4.717 ( -20.237 -7.219 -0.000) 21.486 4.751 ( 5.139 -1.649 0.000) 5.396 5.031 ( 7.024 7.983 0.000) 10.633 5.211 ( 7.410 6.135 0.000) 9.620 5.251 ( 9.832 -0.337 0.000) 9.838 5.624 ( 2.568 0.352 0.000) 2.592 6.055 ( -4.943 6.588 0.000) 8.236 6.085 ( 4.769 -7.285 -0.000) 8.707 6.128 ( 8.361 11.608 0.000) 14.305 6.505 ( 1.558 -7.930 -0.000) 8.081 6.596 ( -0.688 9.588 0.000) 9.612 6.987 ( 0.742 3.597 0.000) 3.672 7.457 ( -0.348 -23.559 -0.000) 23.562 8.009 ( -1.263 0.744 -0.000) 1.466 8.289 ( -7.076 -8.627 -0.000) 11.158 8.511 ( -10.718 5.590 -0.000) 12.088 8.924 ( -3.050 7.765 0.000) 8.343 8.980 ( 14.637 -0.028 0.000) 14.637 9.180 ( 14.724 -1.188 0.000) 14.772 9.447 ( -10.113 14.473 0.000) 17.656 9.602 ( 7.521 -6.695 0.000) 10.070 9.984 ( 1.252 -7.668 -0.000) 7.770 10.288 ( -8.979 0.541 -0.000) 8.995 10.288 ( -16.702 4.841 -0.000) 17.390 10.857 ( 4.201 -4.958 -0.000) 6.498 11.081 ( 6.189 -0.194 0.000) 6.192 11.667 ( 2.976 1.339 0.000) 3.263 11.866 ( 6.116 -6.200 -0.000) 8.709 11.964 ( 2.595 3.725 0.000) 4.540 12.029 ( -9.795 -4.202 -0.000) 10.659 12.084 ( 6.765 1.845 0.000) 7.012 12.673 ( -5.199 0.508 -0.000) 5.224 12.977 ( 4.910 12.408 0.000) 13.344 13.035 ( 10.732 1.156 0.000) 10.794 13.952 ( 20.530 -14.378 0.000) 25.064 14.901 ( -3.058 20.095 0.000) 20.326 18.199 ( -0.033 -11.031 -0.000) 11.031 18.899 ( -4.835 2.696 -0.000) 5.536 19.176 ( 1.881 -8.152 -0.000) 8.367 19.754 ( -1.210 15.858 0.000) 15.904 20.619 ( -6.714 0.642 -0.000) 6.744 20.896 ( 20.203 1.180 0.000) 20.237 20.954 ( -12.951 -9.464 -0.000) 16.041 21.670 ( 14.155 3.916 0.000) 14.686 23.298 ( -9.103 3.342 -0.000) 9.697 23.388 ( 0.647 0.480 0.000) 0.806 23.468 ( 2.353 -4.200 -0.000) 4.814 23.502 ( 0.342 -0.237 0.000) 0.416 23.953 ( -1.033 -1.441 -0.000) 1.773 23.992 ( -7.163 0.924 -0.000) 7.222 ======================= Grid point 65 (53/96) ======================= q-point: ( 0.27 -0.13 0.13) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 31.432 7.229) 32.253 1.594 ( 0.000 33.970 3.222) 34.122 2.321 ( 0.000 5.041 2.401) 5.583 2.639 ( 0.000 26.342 8.036) 27.540 2.792 ( 0.000 19.020 7.883) 20.589 3.216 ( -0.000 -5.220 1.560) 5.448 3.248 ( 0.000 2.234 2.067) 3.043 3.447 ( 0.000 6.187 -5.130) 8.037 3.692 ( 0.000 4.595 -3.690) 5.894 3.818 ( 0.000 3.782 4.469) 5.855 3.854 ( 0.000 8.145 4.683) 9.395 3.937 ( 0.000 4.468 1.245) 4.638 4.069 ( 0.000 8.742 1.084) 8.809 4.185 ( -0.000 -6.974 -1.785) 7.199 4.304 ( -0.000 -10.481 0.927) 10.522 4.400 ( -0.000 -4.054 1.752) 4.416 4.817 ( 0.000 3.714 8.484) 9.261 4.909 ( 0.000 2.616 2.895) 3.902 5.053 ( -0.000 0.153 -0.329) 0.363 5.501 ( -0.000 -8.192 -4.042) 9.135 5.517 ( -0.000 -3.128 -5.430) 6.266 5.671 ( -0.000 -3.911 -1.828) 4.317 5.883 ( 0.000 9.239 -4.586) 10.314 6.004 ( -0.000 -13.105 -10.860) 17.020 6.216 ( -0.000 -5.825 -3.851) 6.983 6.635 ( -0.000 -10.491 8.180) 13.303 6.978 ( 0.000 0.499 9.773) 9.786 7.358 ( -0.000 6.494 -21.672) 22.624 7.675 ( -0.000 -4.511 0.796) 4.580 7.946 ( 0.000 3.465 5.034) 6.111 8.100 ( 0.000 22.976 -0.768) 22.989 8.181 ( -0.000 -14.686 11.089) 18.403 8.290 ( -0.000 -2.843 0.844) 2.966 8.923 ( 0.000 3.235 -2.230) 3.929 9.327 ( -0.000 1.562 -3.194) 3.556 9.540 ( -0.000 -0.244 -0.808) 0.844 9.598 ( 0.000 -0.186 3.394) 3.400 9.832 ( 0.000 4.182 0.189) 4.186 10.123 ( 0.000 8.186 3.004) 8.719 10.939 ( -0.000 0.899 -9.134) 9.179 11.396 ( -0.000 -0.576 -7.191) 7.214 11.483 ( -0.000 -5.019 2.266) 5.507 11.537 ( 0.000 4.518 1.120) 4.655 11.840 ( -0.000 -0.714 0.139) 0.727 11.987 ( -0.000 -7.501 -1.149) 7.588 12.091 ( -0.000 -3.026 -7.391) 7.987 12.322 ( 0.000 2.888 3.065) 4.211 12.437 ( -0.000 -11.404 -9.877) 15.086 12.819 ( -0.000 -5.671 0.750) 5.721 12.976 ( -0.000 -8.483 5.975) 10.376 13.380 ( -0.000 -1.369 0.947) 1.665 14.949 ( 0.000 -1.932 7.295) 7.547 18.435 ( 0.000 12.245 -1.885) 12.390 18.758 ( 0.000 9.379 6.107) 11.192 19.195 ( -0.000 -27.333 5.397) 27.861 19.917 ( -0.000 -4.199 -4.708) 6.308 20.267 ( -0.000 -8.601 1.566) 8.743 20.568 ( 0.000 17.796 -23.415) 29.410 21.236 ( -0.000 -8.827 -3.071) 9.346 22.278 ( 0.000 11.031 -3.635) 11.614 22.308 ( -0.000 -2.831 -0.551) 2.884 23.315 ( -0.000 -0.451 -2.928) 2.963 23.580 ( 0.000 4.575 -0.110) 4.576 23.625 ( 0.000 1.108 3.259) 3.443 23.972 ( 0.000 3.876 0.381) 3.895 24.143 ( 0.000 -2.090 4.230) 4.718 ======================= Grid point 66 (54/96) ======================= q-point: ( 0.13 -0.13 0.27) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 7.800 20.901 0.000) 22.309 1.597 ( 7.378 31.997 0.000) 32.836 2.579 ( -3.871 -7.509 -0.000) 8.448 2.588 ( 8.325 32.616 0.000) 33.662 2.746 ( 17.654 33.419 0.000) 37.796 3.193 ( -0.234 -7.394 -0.000) 7.398 3.248 ( 1.987 1.543 0.000) 2.516 3.540 ( 0.140 11.341 0.000) 11.342 3.620 ( -6.062 6.294 0.000) 8.738 3.732 ( -1.620 0.185 -0.000) 1.630 3.807 ( 5.360 -1.208 0.000) 5.494 3.995 ( 6.111 3.994 0.000) 7.300 4.121 ( 3.829 5.701 0.000) 6.868 4.274 ( 5.943 2.775 0.000) 6.559 4.297 ( 0.924 -10.983 -0.000) 11.022 4.430 ( 0.909 5.488 0.000) 5.562 4.681 ( 0.032 2.966 0.000) 2.966 4.905 ( 1.889 -0.515 0.000) 1.958 5.029 ( -3.153 -0.973 -0.000) 3.300 5.446 ( -8.434 -6.546 -0.000) 10.676 5.527 ( -3.634 -5.819 -0.000) 6.861 5.685 ( -0.932 8.180 0.000) 8.233 5.971 ( -9.542 -16.001 -0.000) 18.630 5.994 ( 5.010 6.417 0.000) 8.141 6.479 ( -4.442 -10.897 -0.000) 11.768 6.490 ( 7.967 -18.312 -0.000) 19.970 6.787 ( -0.863 5.749 0.000) 5.813 7.079 ( -26.956 10.108 -0.000) 28.789 7.901 ( 3.120 7.476 0.000) 8.101 7.925 ( 6.581 -13.212 -0.000) 14.760 8.088 ( -2.319 26.315 0.000) 26.417 8.296 ( 3.141 -3.101 -0.000) 4.414 8.393 ( 22.983 -13.562 0.000) 26.686 8.892 ( -3.655 1.829 -0.000) 4.087 9.461 ( -9.138 -1.165 -0.000) 9.212 9.480 ( 11.182 -0.557 0.000) 11.196 9.522 ( -2.845 0.935 -0.000) 2.995 9.854 ( 1.632 5.451 0.000) 5.690 10.116 ( 1.856 5.981 0.000) 6.262 10.852 ( -18.835 9.067 -0.000) 20.904 11.201 ( -15.795 -3.431 -0.000) 16.164 11.330 ( -5.671 -3.692 -0.000) 6.767 11.612 ( 5.732 4.530 0.000) 7.306 11.844 ( 1.113 0.641 0.000) 1.284 11.966 ( -2.267 -6.737 -0.000) 7.108 12.209 ( 1.294 -5.388 -0.000) 5.541 12.222 ( -5.323 4.131 -0.000) 6.738 12.499 ( -2.612 -4.746 -0.000) 5.418 12.827 ( 1.177 -9.193 -0.000) 9.268 13.243 ( 3.190 -9.482 -0.000) 10.005 13.555 ( 30.358 -21.164 0.000) 37.007 14.772 ( -8.846 3.920 -0.000) 9.676 18.462 ( 0.198 16.541 0.000) 16.542 18.722 ( 2.422 2.641 0.000) 3.583 19.183 ( 4.271 -25.564 -0.000) 25.918 19.778 ( -14.636 6.712 -0.000) 16.102 20.284 ( 3.672 -10.439 -0.000) 11.067 20.849 ( 3.697 9.970 0.000) 10.634 21.235 ( -4.206 -10.785 -0.000) 11.577 22.112 ( -11.099 -4.809 -0.000) 12.096 22.674 ( 19.674 3.788 0.000) 20.036 23.388 ( 1.222 -0.564 0.000) 1.346 23.560 ( 2.927 1.031 0.000) 3.103 23.577 ( -2.927 4.243 0.000) 5.154 23.981 ( 1.114 4.431 0.000) 4.569 24.001 ( -7.021 2.836 -0.000) 7.572 ======================= Grid point 68 (55/96) ======================= q-point: (-0.16 -0.13 0.56) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -3.366 9.461 -10.874) 14.802 2.431 ( 1.642 -5.750 -8.071) 10.045 2.496 ( 18.255 3.184 -10.880) 21.488 2.807 ( -9.045 15.716 -12.953) 22.284 3.065 ( -4.317 -0.578 -4.161) 6.024 3.213 ( 3.555 -3.026 2.755) 5.421 3.338 ( 3.358 8.163 -0.117) 8.827 3.445 ( 0.926 1.268 -3.008) 3.393 3.617 ( 8.653 -4.443 5.600) 11.224 3.786 ( -2.907 -5.463 6.833) 9.219 4.042 ( 4.108 -0.400 6.974) 8.104 4.173 ( -0.406 2.499 1.081) 2.753 4.356 ( 10.990 1.371 -3.906) 11.743 4.421 ( 5.402 1.693 1.603) 5.884 4.518 ( 4.672 2.691 -0.088) 5.392 4.652 ( -7.026 -2.783 0.579) 7.579 4.702 ( -1.496 -1.695 1.843) 2.917 4.939 ( -5.293 -0.620 -1.543) 5.548 5.021 ( -1.920 -9.222 -3.100) 9.916 5.068 ( -7.373 -4.536 -1.477) 8.782 5.429 ( 9.515 13.842 -3.696) 17.199 5.507 ( 5.329 2.959 2.089) 6.443 5.683 ( -3.498 -2.336 8.355) 9.354 5.911 ( -7.028 -9.104 7.209) 13.574 6.575 ( 5.231 6.193 -13.806) 16.010 6.612 ( 4.995 5.140 -6.874) 9.931 6.807 ( -4.747 -1.630 1.416) 5.215 6.849 ( -4.518 -5.642 -15.910) 17.475 7.748 ( -0.061 16.490 10.581) 19.593 7.986 ( 2.374 -8.017 5.027) 9.756 8.357 ( -4.145 9.240 5.541) 11.544 8.380 ( 7.936 -8.138 -1.551) 11.472 8.605 ( -4.768 0.717 7.225) 8.686 8.747 ( -1.850 -9.958 4.611) 11.128 9.257 ( 6.193 -1.925 -0.147) 6.487 9.347 ( -7.148 2.903 -5.224) 9.318 9.805 ( -3.404 12.934 0.221) 13.376 9.988 ( 8.790 -14.099 -5.831) 17.608 10.216 ( 1.381 1.280 0.224) 1.896 10.272 ( -3.556 3.098 2.414) 5.298 10.819 ( 7.215 -0.925 5.103) 8.886 11.055 ( -14.127 1.042 3.522) 14.597 11.698 ( 0.290 1.692 1.706) 2.420 11.763 ( -2.107 -2.099 -0.033) 2.974 11.954 ( 0.592 1.546 0.840) 1.856 11.994 ( 1.758 0.314 1.075) 2.085 12.306 ( 2.165 5.745 -4.979) 7.904 12.617 ( -4.859 -10.862 -1.136) 11.954 12.807 ( 7.303 0.059 0.010) 7.304 13.015 ( -8.202 -2.824 0.031) 8.675 14.128 ( 3.042 11.765 4.918) 13.110 14.465 ( -4.931 -14.638 -0.592) 15.457 18.608 ( 2.610 12.567 -5.543) 13.981 18.863 ( -0.910 -6.694 -3.132) 7.447 19.284 ( -4.919 15.066 3.772) 16.291 19.524 ( 3.215 -18.191 -4.267) 18.959 20.418 ( 9.033 -2.023 7.713) 12.049 20.552 ( -3.957 0.766 9.734) 10.535 21.200 ( 7.057 3.050 -0.887) 7.738 21.507 ( -14.574 -3.855 2.045) 15.213 23.166 ( 13.063 2.178 0.683) 13.261 23.407 ( -7.789 -0.079 -1.107) 7.867 23.527 ( 2.437 4.993 -1.925) 5.879 23.698 ( -3.704 -4.624 -2.066) 6.274 23.917 ( 6.971 -1.194 2.268) 7.427 24.004 ( -4.366 1.276 -0.884) 4.634 ======================= Grid point 69 (56/96) ======================= q-point: (-0.30 -0.13 -0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -2.872 14.555 -8.471) 17.084 2.570 ( 3.306 -1.351 -2.756) 4.511 2.740 ( -12.776 5.216 -8.452) 16.183 2.966 ( 2.449 0.306 0.775) 2.587 3.099 ( 3.627 -4.881 4.840) 7.772 3.236 ( 4.574 4.492 4.434) 7.795 3.380 ( -0.179 4.829 -2.134) 5.283 3.456 ( -6.334 -6.105 1.123) 8.869 3.586 ( 8.665 -3.203 0.994) 9.292 3.728 ( 3.502 -14.393 0.013) 14.813 3.974 ( -7.601 -1.570 4.027) 8.744 4.137 ( 6.637 1.752 -1.042) 6.943 4.364 ( -12.766 4.936 -0.663) 13.703 4.464 ( -4.944 -0.204 3.519) 6.072 4.490 ( -5.454 0.131 -1.383) 5.628 4.593 ( 4.852 0.015 -2.066) 5.273 4.820 ( 7.542 7.525 4.989) 11.764 4.869 ( -3.189 -6.916 -7.427) 10.638 5.005 ( -0.283 -5.409 -1.726) 5.685 5.090 ( 5.502 -6.209 0.261) 8.300 5.418 ( 1.655 6.058 3.663) 7.270 5.519 ( -0.360 -2.744 2.867) 3.985 5.644 ( -9.445 -0.880 1.170) 9.558 5.722 ( 4.752 2.620 2.090) 5.815 6.648 ( -3.921 5.223 -3.310) 7.322 6.794 ( 1.285 4.911 -1.445) 5.278 6.946 ( -1.055 2.933 -8.997) 9.521 7.190 ( 2.602 -7.899 -15.717) 17.781 7.618 ( 3.832 4.205 3.423) 6.639 7.667 ( -2.870 -5.034 20.651) 21.449 8.272 ( -0.928 12.555 -5.882) 13.896 8.344 ( -3.280 2.816 3.350) 5.469 8.610 ( 5.053 -5.942 5.109) 9.325 8.660 ( 3.984 -11.729 0.694) 12.406 9.225 ( -8.798 1.413 -1.493) 9.035 9.456 ( 9.261 -1.451 -0.076) 9.374 9.744 ( -4.273 18.434 -3.445) 19.234 10.075 ( -6.943 -7.954 -0.563) 10.573 10.272 ( 3.759 -0.538 0.720) 3.865 10.318 ( 6.529 -9.904 0.818) 11.891 10.697 ( -9.955 1.125 1.882) 10.194 10.978 ( 16.249 -0.490 3.678) 16.667 11.687 ( -0.429 2.983 0.690) 3.091 11.755 ( 0.950 -2.508 -0.809) 2.801 11.936 ( -2.928 4.142 0.167) 5.075 11.978 ( -1.550 0.116 0.121) 1.559 12.420 ( 2.984 7.569 0.297) 8.141 12.571 ( -2.850 -11.180 -4.008) 12.213 12.815 ( -8.015 1.679 0.490) 8.203 12.992 ( 6.263 -1.485 -0.675) 6.472 13.999 ( -10.814 15.457 -1.785) 18.948 14.510 ( 10.507 -13.882 2.132) 17.540 18.728 ( -2.384 6.791 -1.788) 7.416 18.897 ( 2.239 -3.589 -2.805) 5.075 19.172 ( -1.518 19.391 0.981) 19.475 19.632 ( 3.461 -20.061 -0.805) 20.373 20.284 ( -11.158 -0.756 3.548) 11.733 20.416 ( 2.792 0.313 3.856) 4.770 21.228 ( -7.904 0.126 1.137) 7.986 21.446 ( 13.776 0.616 -1.109) 13.834 23.188 ( -11.965 -0.065 0.570) 11.979 23.420 ( 7.899 0.671 -0.693) 7.958 23.599 ( 3.656 5.215 1.089) 6.461 23.675 ( -0.619 -4.951 -1.799) 5.304 23.866 ( -8.287 0.175 0.275) 8.294 24.040 ( 6.067 -1.798 0.573) 6.354 ======================= Grid point 70 (57/96) ======================= q-point: ( 0.56 -0.13 -0.16) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -19.223 1.907 13.031) 23.302 2.463 ( -1.884 -2.044 6.056) 6.664 2.540 ( -17.269 6.106 -5.578) 19.148 2.797 ( 9.252 1.326 1.648) 9.491 3.139 ( 0.395 16.535 6.350) 17.717 3.219 ( 4.318 0.657 1.413) 4.591 3.363 ( -1.394 -0.795 0.785) 1.787 3.479 ( 5.189 5.491 0.924) 7.611 3.658 ( -7.610 -8.640 6.370) 13.158 3.793 ( 7.373 -1.383 -0.292) 7.507 3.885 ( -1.474 -0.241 -3.062) 3.407 4.103 ( -8.071 -0.384 -2.606) 8.490 4.178 ( -6.164 2.093 2.311) 6.908 4.264 ( -7.293 -0.824 2.347) 7.706 4.344 ( -7.493 -0.679 -1.375) 7.649 4.769 ( 4.297 -0.645 1.389) 4.562 4.844 ( 9.824 -0.859 -1.459) 9.969 4.971 ( 0.305 0.772 3.718) 3.810 5.074 ( -1.048 -2.769 -7.757) 8.302 5.242 ( 8.712 -1.820 -2.158) 9.158 5.371 ( -7.879 1.365 1.339) 8.108 5.406 ( -1.101 1.401 7.384) 7.596 5.585 ( 2.986 -3.851 -4.044) 6.333 5.767 ( -2.489 -2.031 -9.815) 10.327 6.624 ( -2.863 3.159 1.941) 4.684 6.719 ( -5.609 4.177 9.309) 11.643 6.907 ( 5.068 2.382 1.637) 5.834 7.218 ( -5.060 -1.854 11.161) 12.394 7.495 ( 4.133 4.968 -8.995) 11.075 7.885 ( 4.007 -5.733 -8.405) 10.935 8.248 ( -0.810 4.669 1.417) 4.946 8.338 ( -4.085 2.397 -1.153) 4.875 8.660 ( 6.611 -7.656 -3.181) 10.604 8.792 ( 6.961 -2.910 2.734) 8.025 9.075 ( -7.553 -1.485 -2.106) 7.980 9.594 ( 6.896 2.377 3.650) 8.156 9.726 ( -7.085 8.713 -3.756) 11.842 9.926 ( -4.916 -3.201 2.354) 6.321 10.261 ( 4.178 5.499 1.673) 7.106 10.324 ( 1.251 2.737 3.515) 4.627 10.729 ( 6.445 -9.608 -4.897) 12.563 11.307 ( 16.038 0.156 -1.604) 16.119 11.665 ( -0.516 2.198 -0.398) 2.293 11.794 ( -0.229 0.109 -0.152) 0.296 11.864 ( -3.633 -0.558 -1.833) 4.107 11.948 ( -0.744 -0.429 -0.365) 0.934 12.413 ( 0.253 2.364 3.258) 4.033 12.583 ( -6.148 -4.052 -0.411) 7.375 12.672 ( -3.611 -3.825 -3.459) 6.295 13.129 ( 4.973 -1.383 -1.548) 5.388 13.804 ( -15.017 2.974 -3.586) 15.723 14.747 ( 15.508 -4.671 1.663) 16.282 18.597 ( -6.401 3.700 2.611) 7.841 18.987 ( 3.951 2.508 5.009) 6.855 19.240 ( 2.696 16.652 -8.860) 19.054 19.655 ( 3.570 -17.768 8.842) 20.165 20.036 ( -13.809 -3.273 -8.415) 16.499 20.412 ( -2.435 1.067 -2.908) 3.940 21.133 ( -1.508 -0.639 -0.522) 1.719 21.770 ( 15.279 -0.607 -1.618) 15.377 22.894 ( -15.043 -0.104 1.813) 15.152 23.452 ( -2.940 6.189 1.163) 6.950 23.604 ( -1.967 -3.758 1.212) 4.412 23.717 ( -4.001 1.820 -1.079) 4.526 23.804 ( 7.666 -2.122 -1.021) 8.019 24.123 ( 4.085 0.246 1.361) 4.313 ======================= Grid point 72 (58/96) ======================= q-point: (-0.14 -0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.000 0.000 -30.301) 30.301 1.496 ( -0.000 0.000 -32.926) 32.926 2.136 ( -0.000 0.000 -46.236) 46.236 2.502 ( -0.000 0.000 -17.564) 17.564 2.739 ( 0.000 -0.000 5.636) 5.636 3.210 ( -0.000 0.000 -3.861) 3.861 3.278 ( -0.000 0.000 -2.876) 2.876 3.294 ( -0.000 0.000 -2.312) 2.312 3.558 ( -0.000 0.000 -4.805) 4.805 3.710 ( 0.000 -0.000 7.004) 7.004 3.727 ( 0.000 -0.000 1.141) 1.141 3.760 ( -0.000 0.000 -6.454) 6.454 3.858 ( -0.000 0.000 -1.935) 1.935 4.351 ( 0.000 -0.000 1.187) 1.187 4.503 ( 0.000 -0.000 0.190) 0.190 4.655 ( -0.000 0.000 -4.774) 4.774 4.717 ( 0.000 -0.000 5.132) 5.132 4.865 ( -0.000 0.000 -0.341) 0.341 5.179 ( 0.000 -0.000 7.900) 7.900 5.367 ( 0.000 -0.000 4.971) 4.971 5.740 ( -0.000 0.000 -0.153) 0.153 5.743 ( 0.000 -0.000 5.052) 5.052 6.058 ( 0.000 -0.000 15.127) 15.127 6.128 ( -0.000 0.000 -11.403) 11.403 6.168 ( 0.000 -0.000 14.469) 14.469 6.378 ( -0.000 0.000 -18.973) 18.973 6.960 ( 0.000 -0.000 5.715) 5.715 7.085 ( 0.000 -0.000 9.602) 9.602 7.176 ( -0.000 0.000 -5.446) 5.446 8.025 ( -0.000 0.000 -11.648) 11.648 8.132 ( -0.000 0.000 -11.768) 11.768 8.215 ( 0.000 -0.000 1.556) 1.556 8.861 ( -0.000 0.000 -8.644) 8.644 8.994 ( -0.000 0.000 -2.670) 2.670 9.248 ( 0.000 -0.000 3.508) 3.508 9.264 ( 0.000 -0.000 15.271) 15.271 9.590 ( 0.000 -0.000 1.289) 1.289 9.881 ( -0.000 0.000 -6.173) 6.173 9.896 ( -0.000 0.000 -1.064) 1.064 10.245 ( 0.000 -0.000 4.461) 4.461 11.442 ( -0.000 0.000 -3.397) 3.397 11.469 ( -0.000 0.000 -1.399) 1.399 11.605 ( 0.000 -0.000 2.615) 2.615 11.938 ( 0.000 -0.000 2.288) 2.288 11.975 ( 0.000 -0.000 1.783) 1.783 12.063 ( 0.000 -0.000 5.486) 5.486 12.327 ( -0.000 0.000 -2.111) 2.111 12.587 ( 0.000 -0.000 7.271) 7.271 12.855 ( 0.000 -0.000 4.147) 4.147 13.089 ( 0.000 -0.000 3.685) 3.685 13.421 ( -0.000 0.000 -0.372) 0.372 15.334 ( 0.000 -0.000 2.952) 2.952 18.263 ( -0.000 0.000 -8.536) 8.536 18.639 ( -0.000 0.000 -3.185) 3.185 18.864 ( 0.000 -0.000 8.266) 8.266 19.967 ( 0.000 -0.000 1.231) 1.231 20.099 ( -0.000 0.000 -6.372) 6.372 20.410 ( 0.000 -0.000 4.102) 4.102 21.348 ( 0.000 -0.000 8.856) 8.856 22.198 ( -0.000 0.000 -12.491) 12.491 22.323 ( 0.000 -0.000 2.617) 2.617 23.240 ( 0.000 -0.000 3.022) 3.022 23.506 ( -0.000 0.000 -0.921) 0.921 23.590 ( -0.000 0.000 -4.844) 4.844 23.923 ( -0.000 0.000 -2.631) 2.631 24.264 ( 0.000 -0.000 2.952) 2.952 ======================= Grid point 73 (59/96) ======================= q-point: (-0.29 -0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 1.476 0.000 -12.616) 12.702 2.067 ( 24.129 -0.000 -20.880) 31.909 2.765 ( -4.386 0.000 -10.319) 11.213 2.888 ( 2.841 0.000 -19.276) 19.484 2.892 ( 9.749 -0.000 -18.676) 21.068 3.000 ( -21.192 0.000 -0.514) 21.199 3.248 ( -5.323 0.000 -7.286) 9.023 3.354 ( 2.430 -0.000 -1.377) 2.793 3.658 ( 4.992 -0.000 4.193) 6.520 3.816 ( 9.485 -0.000 1.222) 9.563 3.925 ( 2.763 -0.000 -5.043) 5.751 3.941 ( 3.459 -0.000 -5.880) 6.822 3.979 ( 16.581 -0.000 -7.683) 18.275 4.258 ( -3.706 0.000 2.118) 4.268 4.476 ( -3.153 0.000 -1.232) 3.385 4.607 ( 2.175 -0.000 2.424) 3.257 4.684 ( 3.559 -0.000 2.843) 4.556 4.928 ( 4.141 -0.000 1.543) 4.420 5.025 ( -3.761 0.000 2.971) 4.793 5.233 ( -1.079 0.000 6.528) 6.616 5.517 ( -12.712 0.000 -1.780) 12.836 5.647 ( 1.040 -0.000 7.092) 7.168 5.895 ( -1.956 0.000 9.211) 9.416 6.057 ( 9.032 -0.000 5.281) 10.463 6.230 ( -5.392 0.000 -4.934) 7.309 6.591 ( -9.147 0.000 1.951) 9.353 6.946 ( -0.673 0.000 -19.971) 19.983 7.065 ( 9.491 -0.000 3.937) 10.275 7.296 ( 3.017 -0.000 -5.084) 5.912 8.085 ( -2.587 0.000 6.528) 7.022 8.127 ( -3.017 0.000 6.001) 6.717 8.314 ( 2.966 -0.000 -4.531) 5.415 8.929 ( 4.493 -0.000 20.658) 21.141 9.020 ( -2.618 0.000 -3.861) 4.665 9.079 ( -5.598 0.000 -9.505) 11.031 9.256 ( 3.569 -0.000 -2.342) 4.269 9.577 ( -1.837 0.000 -1.560) 2.410 9.947 ( 1.965 -0.000 -1.858) 2.705 10.061 ( 4.400 -0.000 -8.899) 9.928 10.169 ( -0.560 0.000 -3.576) 3.619 11.358 ( -12.520 0.000 -1.133) 12.571 11.490 ( -8.117 0.000 -1.624) 8.278 11.541 ( 2.246 -0.000 0.919) 2.427 11.812 ( -2.649 0.000 7.476) 7.932 11.903 ( -1.810 0.000 0.861) 2.005 11.983 ( -0.647 -0.000 4.426) 4.473 12.424 ( 5.769 -0.000 -2.487) 6.282 12.436 ( -0.841 0.000 3.719) 3.813 12.842 ( 7.659 -0.000 6.763) 10.218 13.088 ( 5.684 -0.000 10.912) 12.304 13.453 ( 4.359 -0.000 2.159) 4.865 15.176 ( -8.331 0.000 2.922) 8.828 18.454 ( 0.245 0.000 -10.964) 10.967 18.686 ( 0.487 -0.000 10.632) 10.643 18.798 ( 6.756 -0.000 -4.354) 8.038 19.988 ( 6.151 -0.000 3.799) 7.230 20.231 ( -2.060 0.000 -6.392) 6.716 20.323 ( 0.821 -0.000 3.205) 3.309 21.180 ( -1.444 0.000 5.622) 5.805 22.031 ( -13.991 0.000 2.454) 14.204 22.703 ( 15.730 -0.000 -9.693) 18.476 23.214 ( 2.503 -0.000 2.047) 3.233 23.579 ( 5.750 -0.000 0.246) 5.755 23.649 ( -2.577 0.000 -3.606) 4.432 23.944 ( -3.500 0.000 -2.069) 4.066 24.183 ( -2.054 0.000 0.961) 2.267 ======================= Grid point 74 (60/96) ======================= q-point: (-0.43 -0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -4.516 0.000 0.871) 4.599 2.596 ( -15.239 0.000 1.596) 15.322 2.663 ( 6.235 -0.000 -7.685) 9.896 2.754 ( -6.858 0.000 -1.160) 6.955 3.184 ( -2.003 0.000 3.404) 3.950 3.243 ( 5.459 -0.000 -4.867) 7.314 3.325 ( -3.493 0.000 -15.234) 15.629 3.548 ( 8.573 -0.000 -1.479) 8.700 3.804 ( 9.296 -0.000 -5.481) 10.791 3.920 ( 4.635 -0.000 3.782) 5.982 3.961 ( -1.405 0.000 -1.937) 2.393 4.043 ( 0.515 0.000 -7.170) 7.189 4.172 ( -0.865 0.000 1.104) 1.403 4.341 ( 7.497 -0.000 -4.117) 8.553 4.591 ( -0.239 0.000 -6.458) 6.463 4.671 ( 2.898 -0.000 5.545) 6.257 4.732 ( 5.701 -0.000 0.980) 5.784 4.893 ( 4.585 -0.000 1.904) 4.965 5.028 ( 0.829 -0.000 -2.113) 2.270 5.276 ( 9.289 -0.000 -6.415) 11.289 5.319 ( -6.650 0.000 3.408) 7.472 5.468 ( -1.851 0.000 9.890) 10.062 5.732 ( -5.341 0.000 0.448) 5.360 5.996 ( -11.871 0.000 8.872) 14.820 6.234 ( 4.430 -0.000 -9.357) 10.353 6.466 ( 0.570 -0.000 1.818) 1.906 7.087 ( -2.560 0.000 -3.555) 4.380 7.385 ( 2.876 -0.000 -9.641) 10.061 7.560 ( 12.097 -0.000 -8.972) 15.061 7.690 ( -6.551 0.000 22.230) 23.175 7.877 ( -3.369 0.000 7.630) 8.340 8.405 ( -6.812 0.000 -8.811) 11.138 8.769 ( 12.403 -0.000 13.349) 18.222 9.032 ( -2.473 0.000 -2.793) 3.731 9.097 ( -4.032 0.000 -5.287) 6.649 9.323 ( -4.399 0.000 -2.789) 5.209 9.568 ( -3.268 0.000 -2.778) 4.289 10.058 ( 3.912 -0.000 -4.321) 5.829 10.262 ( 1.533 -0.000 -3.698) 4.003 10.415 ( 11.144 -0.000 -6.762) 13.035 10.982 ( -16.506 0.000 4.769) 17.181 11.310 ( -15.540 0.000 -1.495) 15.612 11.584 ( 2.115 -0.000 -0.449) 2.163 11.677 ( 1.654 -0.000 1.729) 2.393 11.870 ( -2.770 0.000 2.784) 3.927 11.914 ( 1.866 -0.000 -0.275) 1.886 12.374 ( -2.999 0.000 0.884) 3.126 12.608 ( 8.399 -0.000 -1.230) 8.488 12.904 ( 10.594 -0.000 5.231) 11.815 12.933 ( 1.037 -0.000 9.385) 9.442 13.453 ( 2.583 -0.000 5.028) 5.653 14.983 ( -6.405 0.000 0.237) 6.410 18.468 ( 0.037 -0.000 10.733) 10.733 18.698 ( 0.817 0.000 -11.229) 11.258 18.984 ( 3.094 -0.000 -3.309) 4.530 20.094 ( 12.375 -0.000 3.151) 12.769 20.140 ( -1.714 0.000 5.882) 6.126 20.434 ( -1.081 0.000 -8.993) 9.057 21.130 ( 2.019 -0.000 -0.491) 2.078 21.678 ( -14.338 0.000 4.377) 14.991 23.123 ( 7.803 -0.000 -7.896) 11.101 23.259 ( 4.597 -0.000 0.882) 4.681 23.617 ( -5.140 0.000 -0.978) 5.232 23.684 ( 7.144 -0.000 2.913) 7.715 23.882 ( -4.800 0.000 -2.143) 5.256 24.156 ( -1.465 0.000 -0.685) 1.617 ======================= Grid point 75 (61/96) ======================= q-point: ( 0.43 -0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -1.769 0.000 8.341) 8.527 2.310 ( -8.830 0.000 4.492) 9.907 2.612 ( -2.759 0.000 4.782) 5.521 2.629 ( -11.106 0.000 5.851) 12.553 3.095 ( 0.722 -0.000 1.031) 1.259 3.379 ( -13.053 0.000 -13.223) 18.581 3.399 ( 5.742 -0.000 2.179) 6.142 3.529 ( -2.382 0.000 4.410) 5.012 3.889 ( -2.728 0.000 -0.012) 2.728 3.949 ( 5.810 -0.000 7.749) 9.685 4.095 ( -1.380 0.000 -9.647) 9.745 4.160 ( -2.261 0.000 -2.559) 3.415 4.354 ( 2.225 -0.000 -5.838) 6.247 4.403 ( -7.141 0.000 -1.147) 7.232 4.582 ( -4.925 0.000 -7.105) 8.645 4.647 ( 5.875 -0.000 11.050) 12.515 4.804 ( -0.017 -0.000 1.505) 1.505 4.821 ( 0.653 -0.000 -3.407) 3.469 5.115 ( -0.196 0.000 0.907) 0.928 5.226 ( -2.302 0.000 5.371) 5.844 5.261 ( 3.162 -0.000 1.691) 3.586 5.515 ( -0.428 -0.000 9.367) 9.377 5.698 ( -0.979 0.000 -7.151) 7.217 5.850 ( 12.322 -0.000 -8.180) 14.791 6.375 ( -0.865 -0.000 8.943) 8.985 6.481 ( 0.571 0.000 -9.791) 9.807 7.027 ( -9.970 0.000 -3.218) 10.477 7.105 ( -7.199 0.000 21.603) 22.771 7.326 ( -3.239 0.000 5.698) 6.554 7.934 ( 6.653 -0.000 -2.827) 7.229 8.117 ( 18.605 -0.000 -12.295) 22.301 8.389 ( -10.846 0.000 -9.229) 14.241 8.845 ( 14.426 -0.000 7.714) 16.359 8.965 ( -8.212 0.000 -0.285) 8.217 9.111 ( -4.610 0.000 -3.734) 5.932 9.300 ( 4.041 -0.000 0.292) 4.052 9.582 ( -2.846 0.000 -6.122) 6.751 10.180 ( -5.977 0.000 7.800) 9.827 10.239 ( 0.504 0.000 -7.061) 7.079 10.705 ( -1.520 0.000 2.723) 3.119 10.744 ( 10.292 -0.000 -3.977) 11.033 10.947 ( -22.061 0.000 -0.620) 22.070 11.629 ( 1.457 -0.000 -1.132) 1.845 11.747 ( 4.096 -0.000 2.870) 5.001 11.838 ( -0.485 0.000 -5.881) 5.901 11.959 ( 2.225 -0.000 -0.019) 2.226 12.262 ( -3.933 0.000 3.175) 5.054 12.749 ( 2.028 -0.000 0.268) 2.045 12.884 ( 8.362 -0.000 2.733) 8.797 13.033 ( 7.836 -0.000 1.262) 7.937 13.438 ( 8.073 -0.000 3.611) 8.844 14.950 ( -0.805 0.000 -3.917) 3.999 18.272 ( 0.126 -0.000 9.343) 9.344 18.910 ( -0.343 0.000 -9.704) 9.710 19.024 ( -2.340 0.000 -0.523) 2.397 20.015 ( 0.585 -0.000 5.413) 5.444 20.356 ( 14.138 -0.000 -2.577) 14.371 20.554 ( -3.553 0.000 -7.885) 8.648 21.205 ( -5.141 0.000 -0.504) 5.166 21.410 ( 2.035 -0.000 0.802) 2.187 23.255 ( -4.717 0.000 -3.743) 6.022 23.340 ( 4.596 -0.000 0.680) 4.646 23.504 ( -5.535 0.000 0.934) 5.613 23.732 ( 4.466 -0.000 3.963) 5.971 23.889 ( -0.064 0.000 -2.584) 2.584 24.119 ( -3.754 0.000 -0.369) 3.772 ======================= Grid point 76 (62/96) ======================= q-point: ( 0.29 -0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 7.257 -0.000 10.252) 12.561 2.069 ( -14.182 0.000 2.694) 14.435 2.084 ( -22.293 0.000 14.433) 26.558 2.517 ( 6.306 -0.000 2.890) 6.937 3.108 ( -3.193 0.000 -1.007) 3.348 3.288 ( -10.859 0.000 8.373) 13.712 3.407 ( -4.153 0.000 1.694) 4.485 3.425 ( -13.396 0.000 -19.264) 23.464 3.800 ( -5.688 0.000 1.208) 5.815 3.833 ( -1.278 0.000 6.119) 6.251 4.022 ( -10.255 0.000 -4.432) 11.172 4.122 ( -5.329 0.000 -1.347) 5.497 4.205 ( -8.412 0.000 5.194) 9.886 4.367 ( -1.235 0.000 -3.485) 3.697 4.490 ( -9.577 0.000 6.554) 11.605 4.692 ( 1.587 -0.000 2.253) 2.755 4.705 ( -5.621 0.000 4.048) 6.927 4.749 ( -2.624 0.000 6.458) 6.971 5.166 ( 6.156 -0.000 -5.228) 8.077 5.193 ( 12.431 -0.000 4.627) 13.264 5.274 ( -1.517 0.000 -0.271) 1.541 5.562 ( 6.885 -0.000 -5.016) 8.518 5.950 ( 5.244 -0.000 -11.836) 12.946 6.105 ( 2.221 -0.000 8.856) 9.130 6.221 ( -4.723 0.000 -5.369) 7.151 6.629 ( 9.760 -0.000 9.313) 13.490 6.698 ( -4.400 0.000 1.757) 4.738 6.926 ( -4.046 0.000 -6.062) 7.289 7.209 ( 0.331 -0.000 4.268) 4.281 8.083 ( 6.162 -0.000 0.517) 6.183 8.171 ( -11.433 0.000 2.358) 11.674 8.537 ( -6.957 0.000 -3.365) 7.728 8.953 ( 1.400 -0.000 -5.656) 5.827 9.009 ( 13.159 -0.000 3.809) 13.699 9.122 ( 5.768 -0.000 -4.852) 7.537 9.457 ( 5.792 -0.000 -4.581) 7.385 9.686 ( -0.797 0.000 -7.043) 7.088 9.855 ( -5.112 0.000 10.746) 11.900 10.250 ( -8.655 0.000 -3.984) 9.528 10.396 ( -27.052 0.000 2.630) 27.180 10.814 ( 12.258 -0.000 1.635) 12.366 11.041 ( 8.947 -0.000 -3.173) 9.493 11.722 ( 3.411 -0.000 -3.845) 5.140 11.757 ( 5.072 -0.000 3.418) 6.116 11.963 ( -5.283 0.000 -1.281) 5.436 11.966 ( 1.545 -0.000 -3.744) 4.050 12.167 ( 5.753 -0.000 5.056) 7.659 12.678 ( -6.665 0.000 0.616) 6.693 13.059 ( 10.500 -0.000 1.011) 10.549 13.131 ( 2.474 -0.000 -0.455) 2.516 13.743 ( 21.747 -0.000 -3.759) 22.070 15.063 ( 1.994 -0.000 -5.359) 5.718 18.134 ( 0.183 -0.000 5.150) 5.153 18.934 ( -5.608 0.000 1.202) 5.735 19.035 ( -1.416 0.000 -5.099) 5.292 19.965 ( 2.071 -0.000 2.816) 3.496 20.585 ( -4.718 0.000 -3.995) 6.182 20.665 ( -1.610 0.000 -10.754) 10.874 21.037 ( 5.979 -0.000 6.374) 8.739 21.672 ( 14.017 -0.000 -3.549) 14.459 23.196 ( -10.669 0.000 -8.994) 13.954 23.391 ( 0.171 -0.000 0.655) 0.677 23.405 ( -0.564 0.000 0.893) 1.056 23.682 ( 3.110 -0.000 9.724) 10.209 23.923 ( -1.154 0.000 -1.452) 1.855 24.012 ( -6.870 0.000 0.990) 6.941 ======================= Grid point 77 (63/96) ======================= q-point: ( 0.14 -0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -31.603 0.000 -0.000) 31.603 1.518 ( -31.995 0.000 -0.000) 31.995 1.835 ( 9.932 -0.000 0.000) 9.932 2.501 ( -48.788 0.000 -0.000) 48.788 2.792 ( 18.486 -0.000 0.000) 18.486 3.132 ( -2.053 0.000 -0.000) 2.053 3.307 ( -4.063 0.000 -0.000) 4.063 3.496 ( -7.951 0.000 -0.000) 7.951 3.579 ( -10.107 0.000 -0.000) 10.107 3.735 ( -3.433 0.000 -0.000) 3.433 3.984 ( -7.762 0.000 -0.000) 7.762 4.022 ( -6.540 0.000 -0.000) 6.540 4.051 ( 1.949 -0.000 0.000) 1.949 4.232 ( -1.088 0.000 -0.000) 1.088 4.245 ( -13.914 0.000 -0.000) 13.914 4.433 ( 0.666 -0.000 0.000) 0.666 4.554 ( -4.599 0.000 -0.000) 4.599 4.993 ( 12.679 -0.000 0.000) 12.679 5.141 ( -8.430 0.000 -0.000) 8.430 5.354 ( 4.592 -0.000 0.000) 4.592 5.424 ( 12.378 -0.000 0.000) 12.378 5.707 ( -0.645 0.000 -0.000) 0.645 6.022 ( 2.675 -0.000 0.000) 2.675 6.075 ( -11.572 0.000 -0.000) 11.572 6.272 ( 12.315 -0.000 0.000) 12.315 6.623 ( 8.169 -0.000 0.000) 8.169 6.800 ( 5.681 -0.000 0.000) 5.681 7.065 ( 3.082 -0.000 0.000) 3.082 7.181 ( 4.001 -0.000 0.000) 4.001 7.834 ( -16.313 0.000 -0.000) 16.313 8.168 ( 3.271 -0.000 0.000) 3.271 8.371 ( -9.471 0.000 -0.000) 9.471 8.942 ( -2.463 0.000 -0.000) 2.463 9.205 ( 10.139 -0.000 0.000) 10.139 9.435 ( 10.396 -0.000 0.000) 10.396 9.615 ( -3.519 0.000 -0.000) 3.519 9.687 ( 6.066 -0.000 0.000) 6.066 9.753 ( -0.456 0.000 -0.000) 0.456 9.845 ( -23.942 0.000 -0.000) 23.942 10.109 ( -8.795 0.000 -0.000) 8.795 11.025 ( 10.927 -0.000 0.000) 10.927 11.241 ( 9.282 -0.000 0.000) 9.282 11.764 ( -8.195 0.000 -0.000) 8.195 11.830 ( 5.199 -0.000 0.000) 5.199 11.902 ( 3.533 -0.000 0.000) 3.533 12.035 ( 2.622 -0.000 0.000) 2.622 12.322 ( 12.560 -0.000 0.000) 12.560 12.515 ( -8.512 0.000 -0.000) 8.512 13.136 ( -2.658 0.000 -0.000) 2.658 13.236 ( 8.165 -0.000 0.000) 8.165 14.286 ( 24.321 -0.000 0.000) 24.321 15.168 ( 1.729 -0.000 0.000) 1.729 18.088 ( 0.130 -0.000 0.000) 0.130 18.784 ( -7.555 0.000 -0.000) 7.555 19.055 ( -1.245 0.000 -0.000) 1.245 19.973 ( 1.147 -0.000 0.000) 1.147 20.539 ( -3.265 0.000 -0.000) 3.265 20.594 ( -10.030 0.000 -0.000) 10.030 21.294 ( 16.754 -0.000 0.000) 16.754 21.997 ( 14.738 -0.000 0.000) 14.738 23.209 ( -7.636 0.000 -0.000) 7.636 23.364 ( -1.293 0.000 -0.000) 1.293 23.416 ( 1.522 -0.000 0.000) 1.522 23.526 ( 0.672 -0.000 0.000) 0.672 23.815 ( -10.825 0.000 -0.000) 10.825 23.903 ( -1.639 0.000 -0.000) 1.639 ======================= Grid point 79 (64/96) ======================= q-point: ( 0.44 -0.16 0.16) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 23.293 -7.794) 24.563 2.162 ( 0.000 -9.788 15.082) 17.980 2.236 ( 0.000 32.508 -10.650) 34.208 3.085 ( 0.000 2.087 3.384) 3.976 3.167 ( -0.000 -3.904 4.934) 6.292 3.349 ( 0.000 1.672 0.237) 1.688 3.433 ( 0.000 18.093 6.248) 19.142 3.537 ( 0.000 4.918 -0.325) 4.928 3.669 ( -0.000 7.989 -10.997) 13.593 3.853 ( -0.000 -8.646 -0.386) 8.654 3.877 ( -0.000 1.564 -7.436) 7.598 3.972 ( 0.000 -1.586 2.842) 3.255 4.088 ( 0.000 2.652 -0.015) 2.652 4.148 ( -0.000 -0.485 -0.714) 0.863 4.289 ( 0.000 5.145 4.522) 6.849 4.635 ( 0.000 3.006 4.340) 5.279 4.809 ( -0.000 -6.965 3.268) 7.694 5.068 ( 0.000 4.833 4.513) 6.612 5.087 ( -0.000 -0.910 -0.984) 1.340 5.220 ( -0.000 -6.442 -2.716) 6.992 5.283 ( -0.000 -3.569 -8.153) 8.900 5.518 ( 0.000 -5.386 7.458) 9.200 5.580 ( -0.000 -8.734 -5.205) 10.167 6.025 ( 0.000 13.623 -12.514) 18.498 6.312 ( 0.000 2.225 7.159) 7.497 6.621 ( -0.000 -8.107 9.531) 12.512 7.008 ( -0.000 0.770 -8.831) 8.864 7.274 ( 0.000 8.063 -2.335) 8.394 7.581 ( -0.000 -7.735 1.340) 7.850 7.906 ( -0.000 -7.247 -2.521) 7.673 8.166 ( -0.000 -8.143 3.009) 8.681 8.217 ( 0.000 -8.550 17.975) 19.905 8.518 ( 0.000 19.224 -5.406) 19.970 8.928 ( 0.000 6.074 -6.034) 8.562 9.291 ( -0.000 2.421 -4.225) 4.870 9.447 ( -0.000 -4.612 -0.848) 4.689 9.720 ( 0.000 0.837 4.385) 4.465 9.909 ( 0.000 4.516 -1.731) 4.836 10.330 ( 0.000 4.117 2.574) 4.856 10.673 ( -0.000 -11.580 -8.750) 14.514 11.244 ( 0.000 11.233 -12.612) 16.889 11.550 ( 0.000 -1.509 8.067) 8.207 11.655 ( 0.000 2.291 0.317) 2.313 11.840 ( -0.000 0.232 -0.344) 0.414 11.856 ( -0.000 -3.079 1.869) 3.602 11.914 ( -0.000 -2.280 -5.008) 5.503 12.016 ( -0.000 -8.290 -7.606) 11.251 12.433 ( 0.000 0.288 4.537) 4.546 12.713 ( -0.000 -5.674 0.422) 5.690 12.949 ( -0.000 -8.766 8.100) 11.935 13.381 ( 0.000 -1.023 1.635) 1.929 15.044 ( 0.000 -0.018 5.190) 5.190 18.545 ( 0.000 7.935 -5.603) 9.714 18.834 ( -0.000 -25.030 11.307) 27.466 19.163 ( 0.000 11.243 7.243) 13.374 19.616 ( -0.000 -8.181 -7.977) 11.426 20.210 ( -0.000 -4.420 4.475) 6.290 20.448 ( -0.000 13.992 -20.745) 25.023 21.095 ( -0.000 -2.755 -0.270) 2.768 22.249 ( -0.000 -2.614 0.447) 2.652 22.442 ( 0.000 9.777 -1.727) 9.928 23.265 ( -0.000 -2.066 -0.169) 2.073 23.582 ( -0.000 1.673 -4.952) 5.227 23.704 ( 0.000 1.158 2.362) 2.630 24.036 ( 0.000 2.681 -0.895) 2.826 24.178 ( 0.000 -1.730 2.894) 3.372 ======================= Grid point 80 (65/96) ======================= q-point: ( 0.30 -0.16 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 4.078 -5.478 17.282) 18.582 2.140 ( -4.837 24.159 -7.584) 25.779 2.662 ( 1.707 21.221 -1.705) 21.358 3.006 ( -1.573 3.934 6.286) 7.580 3.045 ( -2.190 -7.334 2.237) 7.974 3.354 ( 2.415 6.659 -1.797) 7.308 3.380 ( 5.741 20.690 -4.052) 21.851 3.602 ( -5.110 3.442 -4.682) 7.738 3.690 ( 0.116 8.042 4.350) 9.144 3.863 ( 4.286 5.658 1.302) 7.217 3.976 ( 0.014 4.384 5.639) 7.143 3.999 ( 8.345 -4.868 -0.468) 9.672 4.094 ( 1.790 2.661 -0.960) 3.348 4.188 ( 3.309 4.730 -2.431) 6.263 4.298 ( 0.010 0.309 -10.024) 10.028 4.624 ( 14.435 10.544 10.871) 20.922 4.777 ( -0.255 -3.121 2.959) 4.308 4.977 ( -3.143 1.294 4.741) 5.834 5.057 ( -3.805 1.311 1.100) 4.172 5.199 ( -10.796 -7.974 -10.919) 17.302 5.412 ( -0.122 -5.671 -1.363) 5.833 5.450 ( -2.909 -6.280 -4.862) 8.458 5.879 ( 11.509 -13.480 -13.480) 22.268 6.020 ( -9.847 -7.156 12.970) 17.787 6.167 ( 0.438 13.973 -2.310) 14.169 6.457 ( 0.737 -7.692 8.567) 11.537 7.042 ( -3.744 8.060 4.934) 10.165 7.193 ( -12.960 3.705 -0.369) 13.485 7.620 ( 7.553 -12.330 -1.224) 14.511 7.971 ( -1.961 -2.964 -1.106) 3.722 8.134 ( 12.076 -8.901 -4.058) 15.541 8.209 ( 9.297 -4.647 3.379) 10.929 8.576 ( -1.541 21.499 -2.380) 21.686 8.958 ( -6.374 6.156 -2.984) 9.351 9.384 ( -2.775 -1.047 -1.795) 3.467 9.420 ( 1.997 -7.879 1.591) 8.283 9.609 ( -2.511 3.547 1.880) 4.735 9.965 ( 2.931 5.883 -1.115) 6.667 10.257 ( -1.834 5.219 2.888) 6.241 10.817 ( -2.675 -3.949 -8.926) 10.120 11.111 ( -22.628 2.874 -4.495) 23.248 11.357 ( -3.129 -1.712 7.970) 8.732 11.742 ( 4.298 5.963 0.201) 7.353 11.802 ( -1.051 -6.457 -1.031) 6.622 11.877 ( 3.173 1.411 0.262) 3.482 12.000 ( -3.708 -5.159 -8.848) 10.893 12.273 ( 0.988 -4.240 -0.483) 4.380 12.389 ( 5.171 -1.871 0.907) 5.573 12.640 ( -1.730 -7.235 0.219) 7.442 12.992 ( 13.809 -14.537 4.071) 20.460 13.376 ( 4.907 -4.566 2.583) 7.183 14.888 ( -5.302 3.149 3.395) 7.040 18.608 ( -2.399 -13.972 2.729) 14.436 18.741 ( 3.335 4.450 -2.651) 6.160 19.038 ( 3.844 8.381 7.610) 11.955 19.769 ( -2.636 -2.720 -6.640) 7.644 20.094 ( 1.075 -7.934 3.461) 8.722 20.832 ( 1.768 3.934 -14.408) 15.040 21.097 ( 0.283 -2.319 1.023) 2.551 22.017 ( -14.827 -4.276 0.252) 15.434 22.736 ( 16.675 7.413 -2.934) 18.483 23.329 ( 3.469 -2.244 -1.196) 4.301 23.630 ( -1.312 0.766 1.728) 2.301 23.659 ( -1.302 3.443 -0.570) 3.725 24.009 ( -4.122 2.172 -1.435) 4.875 24.106 ( -0.278 1.900 2.773) 3.373 ======================= Grid point 81 (66/96) ======================= q-point: ( 0.16 -0.16 0.44) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 9.674 -9.777 -0.000) 13.754 2.210 ( 0.392 18.637 0.000) 18.642 2.524 ( -5.725 14.745 0.000) 15.818 2.758 ( -12.416 5.401 -0.000) 13.540 2.967 ( -5.774 -12.339 -0.000) 13.624 3.302 ( -11.083 2.941 -0.000) 11.467 3.407 ( 0.037 13.094 0.000) 13.095 3.488 ( -5.098 -1.142 -0.000) 5.225 3.966 ( 12.533 2.628 0.000) 12.806 4.020 ( 5.299 8.789 0.000) 10.263 4.050 ( 16.722 18.133 0.000) 24.666 4.165 ( 5.379 2.823 0.000) 6.074 4.235 ( 11.836 -3.712 0.000) 12.404 4.304 ( 3.034 8.274 0.000) 8.813 4.372 ( 1.054 -2.325 -0.000) 2.552 4.680 ( 0.159 -0.762 -0.000) 0.778 4.836 ( -2.281 -0.582 -0.000) 2.354 4.915 ( -8.280 0.882 -0.000) 8.327 4.924 ( 14.688 13.575 0.000) 20.001 5.137 ( -13.872 -3.272 -0.000) 14.253 5.210 ( -4.793 -7.649 -0.000) 9.026 5.634 ( -6.511 -9.885 -0.000) 11.837 5.653 ( 3.997 -10.837 -0.000) 11.551 6.123 ( -5.677 7.490 0.000) 9.398 6.258 ( -0.577 -3.940 -0.000) 3.982 6.369 ( 8.793 -10.196 -0.000) 13.464 6.850 ( -14.934 6.419 -0.000) 16.255 6.922 ( -2.720 8.700 0.000) 9.115 7.847 ( 11.099 -11.497 -0.000) 15.980 7.928 ( -2.550 -8.131 -0.000) 8.521 8.363 ( 10.776 -0.292 0.000) 10.780 8.546 ( -2.804 22.204 0.000) 22.380 8.546 ( 16.010 -8.322 0.000) 18.044 8.862 ( -4.529 3.625 -0.000) 5.801 9.119 ( -13.597 -6.380 -0.000) 15.019 9.551 ( -4.087 6.662 0.000) 7.816 9.575 ( 6.383 -9.435 -0.000) 11.391 10.035 ( 1.428 9.564 0.000) 9.670 10.176 ( -1.347 -0.378 -0.000) 1.399 10.694 ( -15.911 6.686 -0.000) 17.258 10.953 ( -1.342 -1.921 -0.000) 2.343 11.175 ( -4.234 -0.933 -0.000) 4.336 11.760 ( 0.369 4.748 0.000) 4.763 11.810 ( -0.550 -6.482 -0.000) 6.506 11.964 ( -8.089 -9.561 -0.000) 12.524 12.010 ( 5.917 4.305 0.000) 7.318 12.215 ( 1.027 5.566 0.000) 5.660 12.486 ( 0.547 -6.322 -0.000) 6.345 12.621 ( 3.327 -5.245 -0.000) 6.211 13.084 ( -3.200 -5.566 -0.000) 6.420 13.615 ( 19.727 -20.413 -0.000) 28.387 14.751 ( -5.956 10.008 0.000) 11.647 18.527 ( -1.766 -17.934 -0.000) 18.021 18.797 ( -0.548 16.000 0.000) 16.010 19.101 ( 8.160 -1.619 0.000) 8.319 19.692 ( -7.788 6.910 -0.000) 10.412 20.231 ( 13.046 -9.472 0.000) 16.122 20.957 ( -6.214 -6.472 -0.000) 8.972 21.128 ( 7.393 7.277 0.000) 10.374 21.715 ( -15.639 -7.580 -0.000) 17.379 23.074 ( 12.784 4.149 0.000) 13.441 23.390 ( 2.213 -2.729 -0.000) 3.513 23.576 ( -6.165 4.735 -0.000) 7.774 23.586 ( -0.507 -1.454 -0.000) 1.540 23.968 ( -1.943 2.326 0.000) 3.031 24.081 ( -0.233 3.937 0.000) 3.944 ======================= Grid point 94 (67/96) ======================= q-point: (-0.39 -0.19 0.19) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -0.000 -4.458 0.391) 4.475 2.167 ( -0.000 8.749 -20.584) 22.366 2.716 ( 0.000 25.212 -7.620) 26.339 3.203 ( -0.000 -8.502 -2.688) 8.916 3.219 ( -0.000 1.186 -3.820) 4.000 3.257 ( -0.000 1.206 -5.069) 5.211 3.373 ( 0.000 1.808 -0.864) 2.004 3.434 ( -0.000 0.373 -11.432) 11.438 3.545 ( -0.000 -1.251 -5.330) 5.475 3.796 ( -0.000 -8.002 1.196) 8.091 3.805 ( -0.000 2.633 -6.605) 7.110 4.005 ( -0.000 0.820 -2.006) 2.167 4.145 ( 0.000 1.915 4.517) 4.906 4.264 ( -0.000 -2.044 0.225) 2.056 4.446 ( -0.000 -4.426 2.296) 4.986 4.494 ( 0.000 8.975 -2.332) 9.273 4.717 ( -0.000 -15.426 0.823) 15.448 4.988 ( -0.000 -10.253 -1.910) 10.429 5.043 ( 0.000 0.553 0.426) 0.698 5.188 ( -0.000 -4.624 5.960) 7.544 5.326 ( 0.000 11.737 5.613) 13.010 5.580 ( 0.000 1.821 6.338) 6.594 5.710 ( 0.000 5.674 7.424) 9.344 5.914 ( -0.000 10.331 -18.875) 21.518 6.408 ( -0.000 -2.033 0.506) 2.095 6.692 ( 0.000 -3.739 10.617) 11.256 6.880 ( -0.000 -3.133 -2.204) 3.831 7.289 ( -0.000 6.264 -15.688) 16.893 7.415 ( -0.000 -9.305 -0.443) 9.316 7.849 ( 0.000 -1.406 10.080) 10.178 8.111 ( -0.000 -5.273 5.488) 7.611 8.466 ( 0.000 -4.545 22.340) 22.798 8.546 ( -0.000 5.585 -15.436) 16.415 9.019 ( 0.000 9.509 -2.947) 9.955 9.238 ( -0.000 -7.800 2.686) 8.249 9.362 ( -0.000 6.114 -9.560) 11.348 9.707 ( -0.000 -5.311 -1.883) 5.635 9.936 ( 0.000 3.449 -3.366) 4.819 10.271 ( -0.000 -5.980 -6.071) 8.522 10.303 ( -0.000 -7.829 -5.238) 9.420 11.361 ( 0.000 14.379 -4.202) 14.981 11.563 ( -0.000 -3.701 -2.003) 4.209 11.667 ( 0.000 -1.439 3.009) 3.335 11.777 ( -0.000 -2.985 1.143) 3.197 11.856 ( 0.000 -0.874 2.943) 3.070 11.880 ( 0.000 2.010 0.515) 2.075 12.125 ( 0.000 10.066 8.492) 13.170 12.461 ( -0.000 -2.800 -0.374) 2.825 12.667 ( 0.000 -2.310 4.639) 5.183 12.936 ( -0.000 -7.697 8.032) 11.125 13.399 ( 0.000 -0.260 1.504) 1.526 15.153 ( 0.000 1.879 4.332) 4.722 18.563 ( 0.000 6.678 -7.851) 10.307 18.650 ( -0.000 -17.585 13.401) 22.109 19.007 ( -0.000 -12.093 -9.694) 15.499 19.743 ( 0.000 10.229 6.351) 12.040 20.228 ( 0.000 -2.773 5.119) 5.822 20.358 ( -0.000 9.974 -13.899) 17.107 21.094 ( 0.000 0.234 2.611) 2.621 22.232 ( 0.000 -1.318 1.998) 2.394 22.546 ( 0.000 7.319 -6.552) 9.823 23.206 ( -0.000 -3.660 0.361) 3.678 23.533 ( -0.000 1.323 -2.384) 2.726 23.735 ( -0.000 -0.230 -0.690) 0.727 24.035 ( -0.000 0.675 -2.608) 2.694 24.179 ( -0.000 -1.921 1.823) 2.648 ======================= Grid point 95 (68/96) ======================= q-point: ( 0.47 -0.19 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 2.011 -10.119 16.764) 19.684 2.446 ( -4.703 23.125 -10.939) 26.010 2.934 ( -3.995 -0.812 3.250) 5.214 3.043 ( 1.240 3.356 1.685) 3.955 3.118 ( -6.066 -0.801 0.461) 6.136 3.338 ( 1.354 4.231 -4.541) 6.352 3.445 ( -4.569 0.014 -3.538) 5.779 3.615 ( 6.137 1.216 -1.478) 6.429 3.750 ( 1.180 -5.176 0.908) 5.386 3.866 ( 1.095 4.103 -21.829) 22.238 4.003 ( 2.529 6.730 -2.286) 7.544 4.022 ( 3.387 3.641 -3.217) 5.923 4.163 ( 4.646 0.556 -1.848) 5.031 4.264 ( 6.565 8.765 5.143) 12.099 4.356 ( -3.127 2.997 -4.677) 6.374 4.563 ( -0.149 -1.568 3.240) 3.602 4.882 ( -1.207 -7.634 -0.962) 7.789 4.912 ( 3.759 -7.705 -0.312) 8.578 5.012 ( 0.821 1.043 0.798) 1.549 5.214 ( 3.526 0.160 -2.147) 4.132 5.266 ( 0.683 3.169 3.459) 4.741 5.439 ( -1.837 -5.769 -1.359) 6.205 5.584 ( 3.413 4.043 7.478) 9.161 6.123 ( -12.959 -2.125 6.704) 14.744 6.337 ( 1.350 7.639 -6.242) 9.957 6.489 ( -1.013 -3.334 4.757) 5.897 7.064 ( 4.752 -0.393 -3.976) 6.209 7.372 ( -3.922 4.118 6.322) 8.504 7.446 ( 3.241 -5.068 0.123) 6.017 7.751 ( -0.586 -7.643 -4.528) 8.903 7.948 ( -1.716 -7.787 3.044) 8.535 8.287 ( 11.588 -0.609 9.091) 14.741 8.742 ( -7.391 7.906 -11.814) 16.022 9.057 ( -2.285 9.046 -2.583) 9.681 9.215 ( 1.804 -9.996 -0.132) 10.159 9.430 ( -4.775 5.372 -1.062) 7.265 9.678 ( -1.748 -2.036 1.997) 3.345 10.021 ( 2.549 4.126 -3.418) 5.933 10.343 ( -1.337 -0.834 -1.351) 2.076 10.490 ( 2.215 -5.412 -11.153) 12.593 11.186 ( -20.925 8.497 -0.236) 22.586 11.503 ( -3.203 0.058 7.507) 8.162 11.633 ( 2.677 -5.985 -1.405) 6.705 11.704 ( -5.170 -2.423 -6.842) 8.911 11.868 ( -0.748 1.397 -0.238) 1.603 11.901 ( 2.032 -0.450 -0.988) 2.304 12.244 ( 15.037 4.698 1.887) 15.866 12.468 ( 3.261 1.888 4.793) 6.097 12.551 ( -2.103 -4.104 1.954) 5.008 12.857 ( 8.033 -11.958 8.557) 16.755 13.373 ( 1.357 -2.024 3.271) 4.079 15.012 ( -4.251 2.456 3.666) 6.127 18.412 ( -0.687 -14.203 9.886) 17.318 18.771 ( 4.306 7.911 -7.956) 12.018 19.161 ( -2.105 -6.766 -6.132) 9.371 19.703 ( 7.708 7.480 4.073) 11.487 20.091 ( -1.898 -3.442 5.670) 6.899 20.626 ( -0.331 3.277 -12.858) 13.274 21.091 ( 2.104 0.484 -0.648) 2.254 21.967 ( -16.697 -2.573 1.730) 16.983 22.853 ( 15.451 8.039 -2.047) 17.537 23.256 ( 4.592 -4.399 -0.152) 6.361 23.612 ( -0.321 1.980 -4.654) 5.068 23.704 ( -2.043 -0.359 1.620) 2.632 24.015 ( -5.279 0.989 -1.634) 5.614 24.159 ( 0.673 0.078 0.872) 1.105 ======================= Grid point 96 (69/96) ======================= q-point: ( 0.33 -0.19 0.47) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 4.821 -13.683 16.833) 22.222 2.478 ( -10.286 18.710 -6.727) 22.386 2.680 ( -8.510 -8.046 2.815) 12.045 2.850 ( -9.726 -2.075 5.964) 11.596 2.980 ( -5.072 7.255 2.152) 9.110 3.339 ( -6.176 2.990 -0.091) 6.863 3.482 ( 0.069 3.128 -0.931) 3.265 3.675 ( 1.782 4.920 4.284) 6.762 3.864 ( 4.159 -7.241 -5.419) 9.955 4.074 ( -3.356 4.234 -2.566) 5.981 4.167 ( 4.721 0.308 -4.150) 6.293 4.212 ( 2.674 -2.645 -3.360) 5.043 4.275 ( 1.085 2.569 -1.241) 3.052 4.330 ( 9.615 12.012 -2.708) 15.623 4.509 ( -0.801 2.604 -2.612) 3.774 4.592 ( 8.645 3.974 -6.552) 11.552 4.738 ( -0.753 1.290 -1.008) 1.802 4.939 ( -6.830 1.582 1.623) 7.196 5.056 ( -5.237 1.558 1.437) 5.650 5.243 ( -0.089 1.465 0.186) 1.480 5.298 ( 2.587 -6.121 2.766) 7.198 5.373 ( 4.873 3.152 2.243) 6.222 5.582 ( -6.173 -5.811 8.574) 12.057 5.922 ( 13.481 -10.297 -8.372) 18.917 6.303 ( -3.184 -2.411 8.570) 9.455 6.427 ( -0.720 8.882 0.804) 8.948 6.977 ( -12.326 5.875 2.168) 13.825 7.112 ( -3.349 -1.229 8.488) 9.207 7.571 ( 1.519 -9.937 -6.152) 11.785 7.808 ( 2.093 -3.571 2.840) 5.019 8.213 ( 12.891 -6.351 -14.544) 20.447 8.435 ( 14.448 -0.339 3.311) 14.827 8.730 ( -10.981 4.505 -6.696) 13.627 8.992 ( -5.343 8.178 1.613) 9.901 9.185 ( -7.452 0.710 7.733) 10.763 9.337 ( 2.663 -8.309 -3.917) 9.564 9.652 ( -0.857 3.878 -1.617) 4.288 10.174 ( 3.388 4.043 -2.318) 5.762 10.220 ( -3.662 1.911 4.167) 5.868 10.765 ( -8.921 0.812 -6.633) 11.147 10.794 ( -4.656 1.667 -4.231) 6.508 11.278 ( -6.551 0.364 6.628) 9.326 11.687 ( 1.644 -5.111 0.342) 5.379 11.725 ( -6.036 -6.996 -4.545) 10.297 11.858 ( 1.054 2.924 1.001) 3.266 12.004 ( -0.182 -0.269 -5.391) 5.400 12.369 ( -4.510 -4.217 0.566) 6.200 12.426 ( 10.260 10.895 5.057) 15.797 12.598 ( 9.791 -1.249 2.424) 10.164 12.942 ( 7.206 -9.787 1.530) 12.250 13.358 ( 6.926 -9.090 3.595) 11.980 14.919 ( -1.303 6.399 -0.064) 6.531 18.254 ( -0.262 -12.824 5.478) 13.948 18.980 ( 1.523 7.649 -5.690) 9.654 19.147 ( -2.706 0.265 -0.121) 2.722 19.814 ( 1.547 6.598 1.315) 6.903 20.075 ( 14.213 -6.163 1.902) 15.608 20.787 ( -3.690 -2.036 -7.175) 8.321 21.211 ( 6.606 2.976 -2.728) 7.742 21.596 ( -17.060 -5.085 1.797) 17.892 23.143 ( 10.569 5.661 -1.617) 12.098 23.344 ( 4.008 -3.727 0.970) 5.558 23.586 ( -2.963 -1.951 2.977) 4.631 23.647 ( -4.706 2.803 -1.227) 5.613 23.972 ( -2.485 1.486 -2.799) 4.027 24.149 ( -0.913 2.020 0.270) 2.233 ======================= Grid point 97 (70/96) ======================= q-point: ( 0.19 -0.19 -0.39) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 8.912 -17.711 -0.000) 19.827 2.236 ( -17.467 8.243 -0.000) 19.315 2.504 ( -11.528 -12.870 -0.000) 17.278 2.587 ( -7.553 -3.664 -0.000) 8.394 2.912 ( 1.547 22.934 0.000) 22.986 3.218 ( -3.906 3.275 -0.000) 5.097 3.432 ( -3.506 2.185 -0.000) 4.131 3.662 ( 0.353 9.347 0.000) 9.354 3.987 ( -10.279 -4.669 -0.000) 11.290 3.998 ( 0.640 -7.697 -0.000) 7.724 4.255 ( -1.480 -5.460 -0.000) 5.657 4.266 ( -2.704 2.223 -0.000) 3.501 4.347 ( 12.692 -1.239 0.000) 12.752 4.379 ( -10.004 2.667 -0.000) 10.353 4.517 ( -1.613 -4.861 -0.000) 5.122 4.623 ( -13.574 -0.448 -0.000) 13.581 4.846 ( -7.425 3.450 -0.000) 8.187 4.857 ( 0.930 0.617 0.000) 1.116 4.949 ( 7.320 4.750 0.000) 8.726 5.030 ( 10.449 8.374 0.000) 13.390 5.193 ( -11.052 -10.422 -0.000) 15.191 5.542 ( 6.367 -6.115 -0.000) 8.828 5.816 ( 20.570 15.024 0.000) 25.472 6.048 ( -0.424 -4.724 -0.000) 4.743 6.231 ( -10.722 7.014 -0.000) 12.813 6.403 ( 9.007 -7.371 0.000) 11.639 6.727 ( -10.367 7.393 -0.000) 12.733 6.979 ( -0.376 1.348 0.000) 1.400 7.539 ( -7.693 -18.264 -0.000) 19.818 7.915 ( 8.972 -2.209 0.000) 9.240 8.521 ( -14.667 -4.522 -0.000) 15.348 8.647 ( 6.734 2.889 0.000) 7.327 8.688 ( 9.591 0.317 0.000) 9.596 8.897 ( 8.713 -1.130 0.000) 8.786 8.991 ( -3.869 8.682 0.000) 9.505 9.469 ( 5.441 -8.447 -0.000) 10.048 9.611 ( -5.919 9.710 0.000) 11.372 10.005 ( -4.398 -5.775 -0.000) 7.259 10.378 ( 6.177 11.972 0.000) 13.472 10.490 ( -12.069 1.782 -0.000) 12.200 10.987 ( 3.684 -0.354 0.000) 3.701 10.993 ( -14.018 -5.544 -0.000) 15.075 11.637 ( -1.343 -3.064 -0.000) 3.345 11.762 ( 4.328 -6.770 -0.000) 8.035 11.890 ( 3.729 4.784 0.000) 6.066 12.035 ( -0.715 -0.757 -0.000) 1.041 12.216 ( -8.936 -4.864 -0.000) 10.174 12.619 ( 10.917 11.396 0.000) 15.782 12.806 ( 12.362 0.404 0.000) 12.369 12.948 ( -2.461 1.524 -0.000) 2.895 13.583 ( 17.043 -17.691 -0.000) 24.565 14.924 ( -0.001 12.155 0.000) 12.155 18.199 ( -0.036 -11.851 -0.000) 11.851 18.982 ( -3.813 5.965 0.000) 7.079 19.153 ( 0.909 -3.004 -0.000) 3.139 19.775 ( -1.152 10.347 0.000) 10.411 20.468 ( 22.582 -2.929 0.000) 22.771 20.751 ( -6.338 -1.876 -0.000) 6.610 21.244 ( -16.262 -7.579 -0.000) 17.942 21.422 ( 10.985 4.114 0.000) 11.730 23.334 ( 5.483 4.007 0.000) 6.791 23.371 ( 1.186 -2.199 -0.000) 2.499 23.511 ( -1.301 -3.173 -0.000) 3.429 23.519 ( -7.141 2.417 -0.000) 7.539 23.973 ( -1.149 0.427 -0.000) 1.226 24.102 ( -3.903 1.971 -0.000) 4.373 ======================= Grid point 101 (71/96) ======================= q-point: ( 0.20 -0.20 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 24.153 0.000) 24.153 1.562 ( 0.000 38.425 0.000) 38.425 2.282 ( 0.000 52.286 0.000) 52.286 2.616 ( -0.000 -5.349 -0.000) 5.349 2.713 ( 0.000 20.996 0.000) 20.996 3.207 ( -0.000 -6.285 -0.000) 6.285 3.226 ( 0.000 2.151 0.000) 2.151 3.512 ( 0.000 9.058 0.000) 9.058 3.689 ( 0.000 14.403 0.000) 14.403 3.759 ( 0.000 1.166 0.000) 1.166 3.774 ( -0.000 -0.683 -0.000) 0.683 3.925 ( 0.000 4.391 0.000) 4.391 4.082 ( 0.000 4.308 0.000) 4.308 4.204 ( -0.000 -4.833 -0.000) 4.833 4.293 ( -0.000 -13.142 -0.000) 13.142 4.440 ( 0.000 3.673 0.000) 3.673 4.679 ( 0.000 3.571 0.000) 3.571 4.881 ( 0.000 1.876 0.000) 1.876 5.057 ( -0.000 -0.163 -0.000) 0.163 5.539 ( -0.000 -7.818 -0.000) 7.818 5.556 ( -0.000 -6.463 -0.000) 6.463 5.699 ( 0.000 9.527 0.000) 9.527 5.929 ( 0.000 11.017 0.000) 11.017 6.135 ( -0.000 -13.560 -0.000) 13.560 6.339 ( -0.000 -24.402 -0.000) 24.402 6.531 ( -0.000 -11.429 -0.000) 11.429 6.789 ( 0.000 4.723 0.000) 4.723 7.664 ( -0.000 -5.759 -0.000) 5.759 7.699 ( 0.000 7.525 0.000) 7.525 7.856 ( -0.000 -13.960 -0.000) 13.960 8.025 ( 0.000 1.760 0.000) 1.760 8.115 ( 0.000 25.944 0.000) 25.944 8.279 ( -0.000 -4.472 -0.000) 4.472 8.946 ( 0.000 4.924 0.000) 4.924 9.354 ( 0.000 0.439 0.000) 0.439 9.544 ( 0.000 3.878 0.000) 3.878 9.566 ( -0.000 -4.468 -0.000) 4.468 9.830 ( 0.000 4.819 0.000) 4.819 10.094 ( 0.000 7.780 0.000) 7.780 11.040 ( -0.000 -2.320 -0.000) 2.320 11.391 ( -0.000 -4.362 -0.000) 4.362 11.526 ( 0.000 4.424 0.000) 4.424 11.526 ( -0.000 -3.066 -0.000) 3.066 11.840 ( -0.000 -0.793 -0.000) 0.793 11.998 ( -0.000 -8.329 -0.000) 8.329 12.171 ( -0.000 -2.657 -0.000) 2.657 12.310 ( 0.000 1.739 0.000) 1.739 12.553 ( -0.000 -9.038 -0.000) 9.038 12.801 ( -0.000 -6.396 -0.000) 6.396 12.898 ( -0.000 -11.815 -0.000) 11.815 13.370 ( -0.000 -1.564 -0.000) 1.564 14.863 ( 0.000 1.424 0.000) 1.424 18.460 ( 0.000 16.746 0.000) 16.746 18.693 ( 0.000 5.784 0.000) 5.784 19.141 ( -0.000 -28.420 -0.000) 28.420 19.965 ( -0.000 -1.169 -0.000) 1.169 20.249 ( -0.000 -11.490 -0.000) 11.490 20.813 ( 0.000 9.960 0.000) 9.960 21.273 ( -0.000 -11.389 -0.000) 11.389 22.313 ( -0.000 -3.230 -0.000) 3.230 22.348 ( 0.000 9.292 0.000) 9.292 23.376 ( -0.000 -0.727 -0.000) 0.727 23.527 ( 0.000 2.118 0.000) 2.118 23.608 ( 0.000 5.238 0.000) 5.238 23.968 ( 0.000 4.329 0.000) 4.329 24.089 ( -0.000 -0.604 -0.000) 0.604 ======================= Grid point 104 (72/96) ======================= q-point: (-0.23 -0.20 0.63) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -3.676 13.863 -3.880) 14.857 2.551 ( -0.997 0.909 -4.075) 4.293 2.744 ( 13.899 -3.831 -14.450) 20.413 2.912 ( 7.481 11.266 6.517) 15.012 3.095 ( -6.814 -5.228 -0.685) 8.616 3.149 ( 2.264 6.243 -3.113) 7.334 3.394 ( -1.964 6.435 0.500) 6.747 3.430 ( 5.738 -1.233 -1.055) 5.963 3.604 ( -7.338 -3.926 0.743) 8.355 3.733 ( -2.434 -17.343 -0.632) 17.525 3.944 ( 6.134 2.238 2.084) 6.854 4.161 ( -4.684 0.086 0.716) 4.739 4.376 ( 10.154 4.690 0.598) 11.201 4.430 ( 9.083 0.178 -0.997) 9.139 4.502 ( 5.897 0.770 0.771) 5.997 4.640 ( -8.399 -2.690 2.111) 9.068 4.705 ( -1.946 5.195 -4.492) 7.138 4.957 ( -1.437 -1.645 0.597) 2.264 5.050 ( -3.640 -11.121 1.553) 11.804 5.085 ( -5.619 -6.604 -0.464) 8.683 5.379 ( 0.807 9.099 1.737) 9.299 5.541 ( -0.328 -3.973 5.142) 6.506 5.587 ( 8.014 4.501 -4.932) 10.431 5.767 ( -2.909 -1.572 6.298) 7.113 6.677 ( 3.561 3.060 -1.610) 4.963 6.779 ( -4.717 5.195 0.052) 7.017 6.897 ( 7.241 6.446 -14.185) 17.182 7.216 ( -4.219 -8.385 -19.648) 21.775 7.499 ( 4.727 7.359 13.113) 15.763 7.787 ( -6.020 -8.326 15.041) 18.216 8.267 ( 1.014 10.693 0.572) 10.756 8.450 ( 5.609 1.647 5.779) 8.220 8.488 ( -8.036 -4.111 -4.432) 10.056 8.681 ( -3.545 -10.676 2.406) 11.503 9.249 ( 9.487 -0.695 0.944) 9.559 9.429 ( -9.241 0.926 -2.995) 9.758 9.789 ( -0.153 17.631 1.320) 17.681 10.089 ( 9.097 -12.923 -1.456) 15.871 10.234 ( -2.634 -1.411 -3.618) 4.692 10.258 ( -1.186 0.828 -1.384) 2.002 10.732 ( 7.195 -2.327 3.874) 8.497 10.974 ( -16.841 -0.120 3.397) 17.181 11.680 ( 0.847 2.903 0.102) 3.026 11.766 ( -1.696 -2.825 0.204) 3.302 11.939 ( 2.135 3.437 0.551) 4.084 11.980 ( 1.830 0.254 0.389) 1.888 12.387 ( -0.218 6.414 -3.210) 7.176 12.622 ( -1.630 -11.578 1.099) 11.743 12.807 ( 7.889 1.999 -0.180) 8.140 13.006 ( -6.909 -2.619 0.749) 7.427 14.047 ( 7.778 13.133 3.395) 15.637 14.479 ( -9.227 -13.370 -1.097) 16.282 18.704 ( 4.144 7.762 -3.808) 9.588 18.912 ( -3.159 -4.246 -1.469) 5.493 19.203 ( -1.513 20.255 3.966) 20.695 19.605 ( -0.895 -20.801 -3.540) 21.119 20.289 ( 10.419 -1.342 4.408) 11.393 20.418 ( -2.589 0.236 3.836) 4.633 21.212 ( 7.243 1.505 -0.592) 7.422 21.472 ( -14.181 -1.774 1.577) 14.378 23.172 ( 12.951 1.575 -0.915) 13.078 23.424 ( -7.479 0.088 -0.416) 7.491 23.565 ( -0.586 5.522 -2.053) 5.920 23.704 ( -2.574 -4.618 0.986) 5.378 23.879 ( 8.967 -0.963 1.489) 9.141 24.024 ( -6.106 -0.429 -1.070) 6.214 ======================= Grid point 108 (73/96) ======================= q-point: (-0.21 -0.21 0.21) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -0.000 0.000 -27.656) 27.656 1.967 ( -0.000 0.000 -14.805) 14.805 2.803 ( -0.000 0.000 -21.795) 21.795 2.824 ( -0.000 0.000 -14.952) 14.952 2.844 ( -0.000 0.000 -16.578) 16.578 3.320 ( -0.000 0.000 -1.292) 1.292 3.331 ( -0.000 0.000 -9.406) 9.406 3.359 ( -0.000 0.000 -4.586) 4.586 3.546 ( 0.000 -0.000 7.243) 7.243 3.698 ( 0.000 -0.000 1.857) 1.857 3.708 ( -0.000 0.000 -9.054) 9.054 3.900 ( -0.000 0.000 -7.580) 7.580 3.913 ( -0.000 0.000 -4.036) 4.036 4.293 ( 0.000 -0.000 5.052) 5.052 4.522 ( -0.000 0.000 -2.646) 2.646 4.609 ( 0.000 -0.000 5.820) 5.820 4.635 ( 0.000 -0.000 5.562) 5.562 4.875 ( -0.000 0.000 -0.193) 0.193 5.064 ( 0.000 -0.000 2.873) 2.873 5.256 ( 0.000 -0.000 6.627) 6.627 5.628 ( 0.000 -0.000 6.940) 6.940 5.776 ( 0.000 -0.000 13.510) 13.510 5.793 ( -0.000 0.000 -6.665) 6.665 5.954 ( 0.000 -0.000 9.031) 9.031 6.282 ( -0.000 0.000 -6.011) 6.011 6.762 ( -0.000 0.000 -10.911) 10.911 6.881 ( 0.000 -0.000 11.564) 11.564 6.969 ( -0.000 0.000 -14.147) 14.147 7.261 ( -0.000 0.000 -3.453) 3.453 8.113 ( 0.000 -0.000 11.033) 11.033 8.158 ( 0.000 -0.000 4.403) 4.403 8.287 ( -0.000 0.000 -15.503) 15.503 8.882 ( 0.000 -0.000 23.397) 23.397 9.056 ( -0.000 0.000 -3.668) 3.668 9.122 ( -0.000 0.000 -8.489) 8.489 9.215 ( -0.000 0.000 -7.430) 7.430 9.593 ( -0.000 0.000 -0.830) 0.830 9.929 ( -0.000 0.000 -2.435) 2.435 10.021 ( -0.000 0.000 -8.346) 8.346 10.193 ( 0.000 -0.000 0.710) 0.710 11.497 ( -0.000 0.000 -1.525) 1.525 11.509 ( -0.000 0.000 -3.363) 3.363 11.574 ( 0.000 -0.000 0.160) 0.160 11.861 ( 0.000 -0.000 5.644) 5.644 11.940 ( 0.000 -0.000 1.837) 1.837 11.950 ( 0.000 -0.000 6.040) 6.040 12.377 ( -0.000 0.000 -2.866) 2.866 12.429 ( 0.000 -0.000 9.142) 9.142 12.759 ( 0.000 -0.000 5.829) 5.829 12.992 ( 0.000 -0.000 6.594) 6.594 13.419 ( 0.000 -0.000 0.589) 0.589 15.266 ( 0.000 -0.000 4.185) 4.185 18.452 ( -0.000 0.000 -11.078) 11.078 18.681 ( 0.000 -0.000 10.762) 10.762 18.719 ( -0.000 0.000 -5.187) 5.187 19.930 ( 0.000 -0.000 2.724) 2.724 20.252 ( -0.000 0.000 -9.543) 9.543 20.315 ( 0.000 -0.000 5.824) 5.824 21.196 ( 0.000 -0.000 6.805) 6.805 22.270 ( 0.000 -0.000 2.866) 2.866 22.436 ( -0.000 0.000 -12.055) 12.055 23.189 ( 0.000 -0.000 2.239) 2.239 23.522 ( -0.000 0.000 -0.814) 0.814 23.675 ( -0.000 0.000 -3.885) 3.885 23.980 ( -0.000 0.000 -3.213) 3.213 24.206 ( 0.000 -0.000 2.890) 2.890 ======================= Grid point 109 (74/96) ======================= q-point: (-0.36 -0.21 0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.936 -0.000 3.795) 3.909 2.439 ( 14.257 -0.000 -17.933) 22.910 2.905 ( -10.314 0.000 -3.698) 10.957 3.009 ( -21.140 0.000 -2.529) 21.290 3.070 ( 4.404 -0.000 -3.430) 5.582 3.354 ( -3.545 0.000 -1.797) 3.975 3.367 ( -0.688 0.000 -25.039) 25.049 3.416 ( 0.227 0.000 -5.684) 5.688 3.594 ( 10.309 -0.000 0.915) 10.349 3.769 ( 7.866 -0.000 3.478) 8.601 4.019 ( -1.031 0.000 -1.903) 2.164 4.024 ( 1.068 -0.000 -6.279) 6.369 4.138 ( 8.013 -0.000 -7.906) 11.257 4.210 ( 4.278 -0.000 2.109) 4.770 4.503 ( 3.522 -0.000 -1.053) 3.676 4.551 ( 5.820 -0.000 3.641) 6.865 4.679 ( 2.516 -0.000 -4.859) 5.471 4.860 ( 0.900 -0.000 5.696) 5.767 5.036 ( -1.383 0.000 -2.391) 2.762 5.138 ( 2.859 -0.000 2.862) 4.045 5.474 ( -7.971 0.000 5.627) 9.757 5.490 ( -0.094 -0.000 8.765) 8.766 5.788 ( -0.291 -0.000 5.211) 5.219 6.124 ( 5.836 -0.000 -14.241) 15.390 6.253 ( -11.645 0.000 3.837) 12.261 6.507 ( -5.522 0.000 4.156) 6.911 7.019 ( 9.239 -0.000 -0.235) 9.242 7.351 ( 0.066 0.000 -16.945) 16.945 7.373 ( 6.452 -0.000 -2.811) 7.038 7.798 ( -3.906 0.000 16.826) 17.274 7.978 ( -5.988 0.000 8.939) 10.759 8.538 ( -5.804 0.000 -14.940) 16.028 8.542 ( 10.030 -0.000 18.201) 20.781 9.075 ( -2.257 0.000 -2.066) 3.060 9.132 ( -0.520 0.000 -0.133) 0.537 9.442 ( -5.064 0.000 -10.116) 11.312 9.605 ( -0.800 0.000 -1.457) 1.662 10.001 ( 1.851 -0.000 -3.522) 3.979 10.219 ( 2.500 -0.000 -6.981) 7.415 10.259 ( 4.157 -0.000 -6.778) 7.951 11.340 ( -18.190 0.000 2.654) 18.383 11.543 ( 1.735 -0.000 -0.971) 1.988 11.552 ( -8.108 0.000 -4.752) 9.398 11.663 ( -1.450 0.000 7.312) 7.454 11.894 ( 0.001 -0.000 0.258) 0.258 11.898 ( 1.035 -0.000 3.880) 4.016 12.369 ( 5.228 -0.000 3.096) 6.076 12.466 ( 4.910 -0.000 -1.573) 5.156 12.702 ( 7.509 -0.000 7.659) 10.726 12.885 ( 3.605 -0.000 10.764) 11.351 13.410 ( 1.481 -0.000 2.627) 3.016 15.113 ( -5.825 0.000 3.682) 6.891 18.467 ( 0.044 -0.000 11.167) 11.167 18.682 ( 0.630 0.000 -11.911) 11.927 18.896 ( 4.994 -0.000 -6.020) 7.822 19.911 ( 5.725 -0.000 4.513) 7.289 20.174 ( -1.497 0.000 6.836) 6.998 20.450 ( -0.550 0.000 -10.793) 10.807 21.105 ( 0.682 -0.000 2.152) 2.258 21.984 ( -16.285 0.000 2.468) 16.471 22.875 ( 16.243 -0.000 -7.291) 17.804 23.187 ( 2.589 -0.000 0.577) 2.652 23.579 ( 3.229 -0.000 -0.936) 3.361 23.698 ( -3.000 0.000 -1.324) 3.279 23.986 ( -4.889 0.000 -2.225) 5.372 24.166 ( 0.297 -0.000 0.620) 0.688 ======================= Grid point 110 (75/96) ======================= q-point: (-0.50 -0.21 0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.739 -0.000 16.360) 16.377 2.606 ( -19.354 0.000 -1.460) 19.409 2.711 ( -8.440 0.000 3.641) 9.191 2.795 ( -4.148 0.000 -6.533) 7.739 3.060 ( 2.169 -0.000 7.754) 8.051 3.346 ( -2.038 0.000 -4.693) 5.117 3.536 ( 2.624 -0.000 1.576) 3.061 3.594 ( -7.334 0.000 -13.758) 15.591 3.817 ( 6.525 -0.000 5.964) 8.840 3.899 ( 1.958 -0.000 -5.264) 5.617 4.062 ( 2.497 -0.000 -6.831) 7.273 4.181 ( 1.100 -0.000 -1.750) 2.067 4.272 ( 2.391 -0.000 -12.638) 12.862 4.412 ( 9.971 -0.000 -3.654) 10.619 4.508 ( 2.144 -0.000 11.016) 11.223 4.663 ( -4.901 0.000 -1.112) 5.026 4.775 ( 5.410 -0.000 -7.658) 9.376 4.865 ( 5.399 -0.000 0.714) 5.446 5.031 ( -1.747 0.000 1.984) 2.643 5.271 ( -2.481 0.000 0.251) 2.494 5.281 ( -3.106 0.000 8.281) 8.844 5.474 ( 13.695 -0.000 -11.904) 18.145 5.712 ( 1.179 -0.000 2.685) 2.932 5.750 ( -11.365 0.000 15.957) 19.590 6.403 ( -1.859 0.000 5.297) 5.614 6.466 ( 0.440 0.000 -11.146) 11.155 7.144 ( -0.674 0.000 -1.293) 1.458 7.264 ( -7.359 0.000 17.951) 19.401 7.403 ( -3.940 0.000 4.345) 5.866 7.798 ( 12.613 -0.000 -14.806) 19.450 7.838 ( 1.913 -0.000 -1.254) 2.287 8.555 ( 14.663 -0.000 8.768) 17.084 8.612 ( -11.398 0.000 -10.869) 15.750 9.087 ( -4.504 0.000 -2.305) 5.060 9.131 ( 2.025 -0.000 -1.153) 2.330 9.355 ( -8.533 0.000 2.123) 8.793 9.625 ( -1.335 0.000 -3.394) 3.647 10.160 ( 5.492 -0.000 -5.833) 8.012 10.278 ( -3.729 0.000 2.273) 4.367 10.554 ( 8.312 -0.000 -8.932) 12.201 10.896 ( -16.139 0.000 4.103) 16.652 11.327 ( -15.325 0.000 -0.244) 15.326 11.596 ( 1.809 -0.000 -0.695) 1.938 11.672 ( 2.955 -0.000 0.875) 3.082 11.868 ( -1.949 0.000 -4.235) 4.662 11.910 ( 2.024 -0.000 0.697) 2.141 12.352 ( -3.887 0.000 1.378) 4.124 12.616 ( 9.014 -0.000 0.562) 9.031 12.762 ( 5.046 -0.000 8.416) 9.813 12.813 ( 14.228 -0.000 4.086) 14.803 13.357 ( 1.160 -0.000 4.946) 5.081 14.983 ( -2.525 0.000 -0.119) 2.527 18.268 ( 0.226 -0.000 9.512) 9.514 18.912 ( 0.097 0.000 -10.665) 10.666 19.051 ( -0.180 0.000 -3.684) 3.689 20.018 ( -0.718 -0.000 6.501) 6.541 20.040 ( 15.586 -0.000 2.711) 15.820 20.616 ( -2.680 0.000 -9.372) 9.748 21.168 ( 4.467 -0.000 -3.304) 5.556 21.602 ( -15.957 0.000 3.628) 16.365 23.225 ( 8.775 -0.000 -2.243) 9.058 23.257 ( 3.747 -0.000 -0.757) 3.823 23.611 ( -5.124 0.000 1.576) 5.361 23.652 ( 2.288 -0.000 -0.065) 2.289 23.932 ( -3.954 0.000 -2.946) 4.931 24.166 ( -0.966 0.000 -0.363) 1.032 ======================= Grid point 111 (76/96) ======================= q-point: ( 0.36 -0.21 -0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 5.535 -0.000 14.909) 15.903 2.317 ( -13.250 0.000 -3.264) 13.646 2.490 ( -18.935 0.000 7.429) 20.340 2.519 ( -4.733 0.000 4.411) 6.469 3.110 ( 2.255 -0.000 -3.424) 4.100 3.339 ( -0.140 -0.000 4.385) 4.387 3.478 ( -3.348 0.000 1.329) 3.602 3.699 ( -12.424 0.000 -17.824) 21.727 3.806 ( 3.704 -0.000 6.388) 7.384 3.894 ( -4.744 0.000 -0.773) 4.807 4.195 ( -2.386 0.000 -0.977) 2.578 4.253 ( 0.684 0.000 -6.296) 6.333 4.351 ( -6.670 0.000 1.650) 6.871 4.409 ( -2.090 0.000 0.533) 2.157 4.465 ( -0.153 -0.000 6.651) 6.653 4.720 ( 3.255 -0.000 1.454) 3.565 4.784 ( -15.832 0.000 -2.706) 16.062 4.924 ( 5.064 -0.000 -6.131) 7.952 5.066 ( -2.420 0.000 13.182) 13.402 5.096 ( -3.695 0.000 0.898) 3.802 5.209 ( 4.337 -0.000 3.619) 5.648 5.394 ( 9.583 -0.000 -2.520) 9.909 5.865 ( 7.285 -0.000 -10.160) 12.502 6.008 ( 8.767 -0.000 -3.259) 9.353 6.247 ( 0.203 -0.000 1.354) 1.369 6.505 ( 1.065 -0.000 10.244) 10.299 6.839 ( -9.678 0.000 3.241) 10.206 7.034 ( -3.553 0.000 3.690) 5.122 7.277 ( -8.594 0.000 -1.683) 8.757 7.938 ( 8.262 -0.000 1.894) 8.477 8.330 ( 0.536 0.000 -10.561) 10.574 8.587 ( -2.332 0.000 -9.009) 9.306 8.727 ( 15.211 -0.000 4.416) 15.839 8.941 ( -4.444 0.000 2.682) 5.191 9.122 ( -3.210 0.000 2.283) 3.939 9.328 ( 6.000 -0.000 -3.458) 6.925 9.697 ( -0.159 0.000 -5.126) 5.128 10.005 ( -9.309 0.000 9.151) 13.053 10.382 ( -1.016 0.000 -7.642) 7.710 10.637 ( 1.202 -0.000 4.679) 4.831 10.837 ( -3.410 0.000 -5.315) 6.315 10.972 ( -14.477 0.000 -1.296) 14.535 11.657 ( 2.933 -0.000 -1.636) 3.358 11.668 ( 3.444 -0.000 4.243) 5.465 11.955 ( 4.091 -0.000 0.346) 4.106 11.960 ( -0.899 0.000 -5.393) 5.467 12.200 ( -6.642 0.000 2.908) 7.250 12.741 ( 1.935 -0.000 0.354) 1.967 12.836 ( 11.900 -0.000 2.276) 12.116 13.015 ( 9.530 -0.000 0.592) 9.548 13.380 ( 12.724 -0.000 2.291) 12.928 15.021 ( 2.204 -0.000 -3.080) 3.787 18.129 ( 0.324 -0.000 5.354) 5.364 19.033 ( -4.612 0.000 -0.429) 4.632 19.063 ( -1.364 0.000 -5.928) 6.083 19.927 ( 1.602 -0.000 3.530) 3.877 20.409 ( 21.044 -0.000 -2.566) 21.200 20.682 ( -4.873 0.000 -5.060) 7.025 21.183 ( -14.372 0.000 2.107) 14.526 21.434 ( 9.544 -0.000 -2.457) 9.855 23.334 ( -1.736 0.000 -4.580) 4.898 23.339 ( 2.873 -0.000 -0.487) 2.914 23.475 ( -4.296 0.000 1.862) 4.682 23.630 ( 0.840 -0.000 6.159) 6.216 23.948 ( -1.569 0.000 -2.857) 3.259 24.123 ( -4.092 0.000 -0.028) 4.092 ======================= Grid point 112 (77/96) ======================= q-point: ( 0.21 -0.21 -0.21) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 9.833 -0.000 0.000) 9.833 1.929 ( -27.144 0.000 -0.000) 27.144 2.058 ( -21.069 0.000 -0.000) 21.069 2.489 ( 9.944 -0.000 0.000) 9.944 3.140 ( -13.919 0.000 -0.000) 13.919 3.180 ( -2.913 0.000 -0.000) 2.913 3.392 ( -4.320 0.000 -0.000) 4.320 3.693 ( -12.035 0.000 -0.000) 12.035 3.774 ( -0.177 0.000 -0.000) 0.177 3.780 ( -8.855 0.000 -0.000) 8.855 4.068 ( -10.735 0.000 -0.000) 10.735 4.130 ( -4.080 0.000 -0.000) 4.080 4.158 ( -9.652 0.000 -0.000) 9.652 4.321 ( -9.417 0.000 -0.000) 9.417 4.410 ( 1.972 -0.000 0.000) 1.972 4.652 ( -22.755 0.000 -0.000) 22.755 4.688 ( -8.689 0.000 -0.000) 8.689 4.691 ( 17.196 -0.000 0.000) 17.196 5.144 ( 15.247 -0.000 0.000) 15.247 5.219 ( 2.862 -0.000 0.000) 2.862 5.275 ( 4.123 -0.000 0.000) 4.123 5.647 ( 6.604 -0.000 0.000) 6.604 5.988 ( 0.798 -0.000 0.000) 0.798 6.150 ( -1.917 0.000 -0.000) 1.917 6.288 ( -7.416 0.000 -0.000) 7.416 6.380 ( 15.874 -0.000 0.000) 15.874 6.757 ( -1.020 0.000 -0.000) 1.020 7.009 ( 2.470 -0.000 0.000) 2.470 7.147 ( -2.263 0.000 -0.000) 2.263 8.073 ( 6.597 -0.000 0.000) 6.597 8.147 ( -15.720 0.000 -0.000) 15.720 8.569 ( -10.083 0.000 -0.000) 10.083 8.971 ( 13.603 -0.000 0.000) 13.603 9.005 ( -3.825 0.000 -0.000) 3.825 9.176 ( 16.067 -0.000 0.000) 16.067 9.533 ( 8.730 -0.000 0.000) 8.730 9.718 ( -7.270 0.000 -0.000) 7.270 9.759 ( -0.028 0.000 -0.000) 0.028 10.292 ( -9.949 0.000 -0.000) 9.949 10.371 ( -28.560 0.000 -0.000) 28.560 10.793 ( 12.635 -0.000 0.000) 12.635 11.079 ( 6.704 -0.000 0.000) 6.704 11.717 ( 5.989 -0.000 0.000) 5.989 11.766 ( 4.766 -0.000 0.000) 4.766 11.989 ( -9.328 0.000 -0.000) 9.328 12.003 ( 0.584 -0.000 0.000) 0.584 12.100 ( 9.703 -0.000 0.000) 9.703 12.673 ( -6.919 0.000 -0.000) 6.919 13.046 ( 11.029 -0.000 0.000) 11.029 13.135 ( 2.969 -0.000 0.000) 2.969 13.781 ( 25.677 -0.000 0.000) 25.677 15.121 ( 3.062 -0.000 0.000) 3.062 18.084 ( 0.302 -0.000 0.000) 0.302 18.922 ( -6.399 0.000 -0.000) 6.399 19.085 ( -1.752 0.000 -0.000) 1.752 19.938 ( 2.292 -0.000 0.000) 2.292 20.625 ( -5.275 0.000 -0.000) 5.275 20.839 ( -14.731 0.000 -0.000) 14.731 20.907 ( 22.416 -0.000 0.000) 22.416 21.710 ( 13.970 -0.000 0.000) 13.970 23.375 ( -8.863 0.000 -0.000) 8.863 23.383 ( 1.815 -0.000 0.000) 1.815 23.398 ( -2.195 0.000 -0.000) 2.195 23.495 ( 2.793 -0.000 0.000) 2.793 23.939 ( -1.982 0.000 -0.000) 1.982 24.002 ( -8.010 0.000 -0.000) 8.010 ======================= Grid point 115 (78/96) ======================= q-point: ( 0.37 -0.23 0.23) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 -6.901 19.350) 20.544 2.249 ( 0.000 31.533 -3.608) 31.739 2.543 ( 0.000 26.428 -18.510) 32.265 3.009 ( 0.000 3.182 3.755) 4.922 3.083 ( -0.000 -7.211 3.073) 7.838 3.316 ( 0.000 32.706 6.448) 33.335 3.344 ( 0.000 5.914 0.576) 5.942 3.577 ( 0.000 6.507 -4.710) 8.033 3.741 ( 0.000 2.229 -0.668) 2.327 3.863 ( -0.000 -6.950 1.142) 7.043 3.902 ( -0.000 -6.171 3.284) 6.991 3.995 ( 0.000 5.738 -0.508) 5.761 4.091 ( 0.000 2.288 -0.292) 2.306 4.204 ( 0.000 3.186 3.835) 4.986 4.286 ( 0.000 9.061 -9.191) 12.907 4.392 ( 0.000 5.881 10.147) 11.728 4.810 ( -0.000 -3.645 4.454) 5.755 4.986 ( 0.000 5.350 3.434) 6.357 5.093 ( 0.000 2.510 0.006) 2.510 5.396 ( -0.000 -9.135 -5.746) 10.792 5.415 ( -0.000 -1.121 -4.671) 4.804 5.436 ( -0.000 -15.188 -10.330) 18.368 5.723 ( -0.000 -14.889 -8.924) 17.359 6.142 ( 0.000 6.829 6.991) 9.773 6.168 ( 0.000 6.387 1.333) 6.525 6.433 ( -0.000 -9.731 9.471) 13.579 7.065 ( 0.000 8.439 7.686) 11.414 7.367 ( -0.000 -6.185 -12.509) 13.954 7.553 ( -0.000 -7.121 1.393) 7.256 7.949 ( -0.000 -6.992 6.271) 9.392 8.002 ( 0.000 2.272 -2.162) 3.136 8.123 ( -0.000 -10.229 1.440) 10.330 8.594 ( 0.000 23.682 -2.631) 23.828 9.040 ( 0.000 7.274 -4.956) 8.802 9.321 ( -0.000 -3.615 -0.361) 3.633 9.469 ( -0.000 -3.666 0.088) 3.667 9.639 ( 0.000 1.922 2.953) 3.524 9.935 ( 0.000 5.727 -0.874) 5.793 10.274 ( 0.000 6.718 2.707) 7.243 10.848 ( -0.000 -7.784 -8.826) 11.768 11.390 ( 0.000 -3.496 7.994) 8.725 11.449 ( -0.000 4.416 -7.372) 8.594 11.643 ( 0.000 5.736 0.718) 5.781 11.827 ( -0.000 -7.789 0.967) 7.849 11.840 ( 0.000 0.480 0.065) 0.484 12.040 ( -0.000 -2.002 -7.505) 7.768 12.202 ( -0.000 -11.746 -10.821) 15.971 12.355 ( 0.000 0.624 3.206) 3.267 12.689 ( -0.000 -7.275 2.116) 7.577 12.771 ( -0.000 -12.045 9.970) 15.636 13.351 ( -0.000 -1.483 1.319) 1.985 14.944 ( 0.000 0.826 4.630) 4.703 18.665 ( -0.000 -24.974 6.216) 25.736 18.670 ( 0.000 11.487 -7.426) 13.679 18.999 ( 0.000 14.112 9.176) 16.833 19.787 ( -0.000 -8.985 -9.229) 12.880 20.105 ( -0.000 -7.307 6.447) 9.745 20.807 ( -0.000 6.952 -15.468) 16.958 21.097 ( -0.000 -4.367 0.491) 4.395 22.243 ( -0.000 -3.530 0.201) 3.536 22.480 ( 0.000 9.128 -2.230) 9.397 23.293 ( -0.000 -1.635 -3.022) 3.436 23.637 ( 0.000 1.062 4.354) 4.482 23.678 ( 0.000 4.398 -4.186) 6.072 24.050 ( 0.000 3.837 -0.523) 3.873 24.113 ( 0.000 -1.209 3.424) 3.631 ======================= Grid point 116 (79/96) ======================= q-point: ( 0.23 -0.23 0.37) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 5.536 -7.990 -0.000) 9.721 2.229 ( -2.937 31.164 0.000) 31.303 2.684 ( -8.882 16.285 0.000) 18.550 2.935 ( -4.663 5.120 0.000) 6.925 3.031 ( -1.763 -8.042 -0.000) 8.233 3.347 ( 1.345 8.510 0.000) 8.615 3.462 ( 14.359 30.874 0.000) 34.050 3.612 ( -7.007 -2.114 -0.000) 7.319 3.683 ( -3.795 3.750 0.000) 5.335 3.841 ( 11.068 7.174 0.000) 13.190 3.884 ( 0.732 8.761 0.000) 8.791 4.023 ( 9.204 -7.299 0.000) 11.747 4.106 ( 1.252 0.820 0.000) 1.496 4.194 ( 4.661 1.645 0.000) 4.943 4.414 ( 2.958 9.946 0.000) 10.377 4.553 ( 12.042 8.181 0.000) 14.558 4.684 ( -0.488 -1.744 -0.000) 1.812 4.926 ( -2.659 2.401 -0.000) 3.583 5.044 ( -4.730 1.963 -0.000) 5.122 5.369 ( -5.104 -9.748 -0.000) 11.004 5.375 ( -8.711 -0.450 -0.000) 8.723 5.627 ( -4.883 -18.119 -0.000) 18.765 5.749 ( -5.416 -3.297 -0.000) 6.341 6.138 ( 13.907 -16.951 -0.000) 21.925 6.183 ( -0.299 12.865 0.000) 12.868 6.284 ( -2.616 -8.547 -0.000) 8.939 6.958 ( -0.460 10.395 0.000) 10.405 7.216 ( -20.879 4.067 -0.000) 21.272 7.637 ( 8.717 -14.894 -0.000) 17.258 7.975 ( -1.132 -1.148 -0.000) 1.612 8.174 ( 13.690 -5.829 0.000) 14.879 8.203 ( 11.308 -6.046 0.000) 12.823 8.597 ( -2.095 24.449 0.000) 24.539 8.991 ( -7.279 6.436 -0.000) 9.717 9.355 ( -9.401 -7.011 -0.000) 11.727 9.432 ( 7.769 -4.520 0.000) 8.988 9.600 ( -1.514 4.317 0.000) 4.575 9.975 ( 3.030 6.497 0.000) 7.169 10.228 ( -2.060 5.113 0.000) 5.512 10.922 ( -3.867 -1.056 -0.000) 4.008 11.162 ( -21.791 0.623 -0.000) 21.800 11.251 ( -3.476 -4.002 -0.000) 5.301 11.737 ( 3.114 7.223 0.000) 7.866 11.813 ( -0.317 -8.421 -0.000) 8.427 11.876 ( 4.733 2.962 0.000) 5.584 12.103 ( -4.308 -5.646 -0.000) 7.102 12.267 ( -3.880 0.782 -0.000) 3.958 12.384 ( 4.678 -6.067 -0.000) 7.661 12.645 ( -1.643 -8.821 -0.000) 8.973 12.942 ( 19.840 -17.763 0.000) 26.630 13.350 ( 3.602 -4.388 -0.000) 5.677 14.853 ( -4.062 4.035 0.000) 5.725 18.569 ( -2.504 -20.439 -0.000) 20.592 18.808 ( -0.542 17.687 0.000) 17.695 18.933 ( 8.101 3.562 0.000) 8.849 19.849 ( -7.378 1.327 -0.000) 7.497 20.045 ( 5.967 -13.412 -0.000) 14.680 21.019 ( 3.734 7.225 0.000) 8.133 21.046 ( -2.880 -8.188 -0.000) 8.680 22.015 ( -14.927 -4.960 -0.000) 15.730 22.770 ( 17.390 5.145 0.000) 18.135 23.356 ( 1.158 -2.232 -0.000) 2.515 23.580 ( 0.661 0.869 0.000) 1.092 23.680 ( -4.105 5.503 0.000) 6.865 24.032 ( -3.681 0.741 -0.000) 3.755 24.070 ( 1.090 4.256 0.000) 4.394 ======================= Grid point 129 (80/96) ======================= q-point: ( 0.54 -0.26 0.26) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 -9.976 17.057) 19.760 2.523 ( 0.000 14.220 -16.255) 21.597 2.852 ( 0.000 25.927 -8.472) 27.276 3.117 ( 0.000 -1.130 9.176) 9.245 3.157 ( 0.000 5.273 4.425) 6.884 3.366 ( -0.000 -4.331 -3.123) 5.339 3.414 ( -0.000 -4.683 -4.618) 6.577 3.619 ( 0.000 3.267 -4.048) 5.201 3.752 ( -0.000 -6.839 3.306) 7.596 3.878 ( -0.000 7.371 -26.373) 27.384 3.936 ( 0.000 8.084 -6.053) 10.099 3.964 ( 0.000 2.660 4.931) 5.603 4.125 ( -0.000 0.114 -1.310) 1.314 4.191 ( 0.000 4.976 4.651) 6.811 4.490 ( 0.000 13.406 3.358) 13.820 4.510 ( -0.000 -10.443 -8.377) 13.388 4.719 ( -0.000 -9.107 0.471) 9.119 5.001 ( -0.000 -2.422 2.842) 3.734 5.071 ( -0.000 -10.985 -6.183) 12.605 5.115 ( -0.000 -5.494 1.641) 5.734 5.251 ( 0.000 6.440 1.325) 6.575 5.502 ( 0.000 2.334 12.921) 13.130 5.508 ( 0.000 -0.140 1.405) 1.412 6.262 ( 0.000 8.951 -9.467) 13.028 6.370 ( 0.000 4.632 1.120) 4.765 6.478 ( 0.000 -5.779 11.495) 12.866 6.977 ( -0.000 -4.187 -8.833) 9.775 7.414 ( 0.000 6.335 4.101) 7.546 7.420 ( -0.000 -7.563 0.010) 7.563 7.753 ( -0.000 -7.624 -0.638) 7.650 8.009 ( -0.000 -6.447 4.894) 8.095 8.135 ( 0.000 -0.336 9.291) 9.297 8.823 ( 0.000 9.997 -12.872) 16.299 9.081 ( 0.000 8.773 -3.682) 9.515 9.194 ( -0.000 -9.038 1.533) 9.167 9.473 ( 0.000 5.258 -2.008) 5.629 9.697 ( -0.000 -3.019 2.700) 4.051 9.996 ( 0.000 3.869 -2.780) 4.764 10.356 ( -0.000 -1.049 -2.595) 2.799 10.475 ( -0.000 -6.998 -11.845) 13.758 11.467 ( 0.000 9.790 -5.510) 11.234 11.526 ( 0.000 -0.608 9.370) 9.390 11.601 ( -0.000 -4.749 -1.934) 5.128 11.835 ( -0.000 -1.936 -4.650) 5.037 11.842 ( -0.000 -2.212 -1.230) 2.531 11.877 ( -0.000 -0.512 -1.218) 1.321 11.986 ( 0.000 6.151 5.299) 8.119 12.432 ( 0.000 0.037 3.062) 3.062 12.599 ( -0.000 -5.355 2.633) 5.968 12.752 ( -0.000 -10.187 11.061) 15.037 13.363 ( 0.000 -0.668 2.129) 2.232 15.058 ( 0.000 0.960 5.366) 5.452 18.421 ( -0.000 -15.541 10.410) 18.705 18.723 ( 0.000 10.111 -8.895) 13.467 19.181 ( -0.000 -9.093 -7.511) 11.794 19.627 ( 0.000 8.507 4.959) 9.847 20.116 ( -0.000 -5.069 6.642) 8.355 20.628 ( -0.000 4.851 -13.681) 14.516 21.071 ( -0.000 0.038 -0.060) 0.071 22.200 ( -0.000 -2.117 1.410) 2.543 22.624 ( 0.000 7.797 -1.675) 7.975 23.212 ( -0.000 -2.861 -1.178) 3.094 23.616 ( -0.000 1.786 -6.067) 6.325 23.724 ( 0.000 0.584 1.798) 1.890 24.081 ( 0.000 1.678 -2.131) 2.713 24.141 ( -0.000 -1.775 2.305) 2.910 ======================= Grid point 130 (81/96) ======================= q-point: ( 0.40 -0.26 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 3.228 -12.353 19.441) 23.259 2.660 ( -8.441 23.790 -10.136) 27.202 2.842 ( -7.164 -5.840 4.477) 10.270 2.989 ( -4.175 -0.098 3.635) 5.537 3.105 ( -5.458 11.621 -0.779) 12.863 3.435 ( 2.391 2.709 -3.141) 4.788 3.508 ( -8.408 -0.603 -3.610) 9.169 3.641 ( 2.640 -0.695 -0.376) 2.756 3.720 ( 5.843 -8.722 0.392) 10.506 4.017 ( 9.891 9.423 -3.544) 14.113 4.088 ( 6.679 13.477 -1.078) 15.079 4.111 ( 2.307 4.776 4.251) 6.798 4.177 ( 4.536 4.906 0.484) 6.699 4.281 ( -0.698 3.977 -4.256) 5.866 4.396 ( 1.628 11.052 -7.485) 13.447 4.632 ( -6.033 -7.819 -5.832) 11.469 4.861 ( 11.473 4.316 4.121) 12.932 4.894 ( -5.187 -3.473 -1.600) 6.444 5.059 ( -0.193 -2.478 -4.020) 4.727 5.173 ( -1.314 2.589 1.257) 3.164 5.243 ( 0.450 -5.114 0.948) 5.220 5.454 ( -4.114 2.871 2.988) 5.839 5.612 ( 15.756 -13.198 -11.929) 23.764 5.864 ( -16.777 -7.325 15.505) 23.990 6.323 ( 1.226 -5.406 11.509) 12.774 6.453 ( -0.697 14.277 -2.090) 14.446 7.150 ( -0.745 -9.198 3.192) 9.764 7.201 ( -8.516 6.151 0.759) 10.532 7.439 ( 6.265 -3.565 0.211) 7.212 7.872 ( -4.562 -4.786 -1.280) 6.735 7.980 ( 10.251 -6.384 -9.223) 15.196 8.193 ( 9.448 2.216 1.744) 9.859 8.919 ( -7.642 9.834 -6.751) 14.167 9.078 ( -4.127 6.217 -0.053) 7.462 9.267 ( 2.772 -6.022 -3.896) 7.689 9.355 ( -6.044 -1.268 7.607) 9.798 9.659 ( -0.067 1.504 -0.360) 1.548 10.075 ( 3.825 4.756 -2.016) 6.428 10.330 ( -4.359 2.019 1.842) 5.145 10.725 ( 1.476 -3.686 -12.338) 12.961 11.188 ( -22.858 3.698 -0.031) 23.155 11.329 ( -0.717 -0.989 9.969) 10.043 11.652 ( 1.387 -6.559 -0.572) 6.728 11.831 ( -1.767 0.858 -2.581) 3.243 11.877 ( -3.397 -3.132 -4.230) 6.264 11.981 ( 2.621 4.639 -5.373) 7.567 12.222 ( 11.508 1.320 0.028) 11.583 12.385 ( 2.473 1.175 3.840) 4.716 12.507 ( -0.637 -6.188 2.318) 6.639 12.698 ( 13.484 -14.644 7.586) 21.303 13.317 ( -0.464 -1.810 2.292) 2.957 14.948 ( -1.480 2.468 2.712) 3.954 18.260 ( -0.295 -14.084 5.712) 15.201 18.931 ( 2.801 10.435 -8.617) 13.820 19.203 ( -2.514 4.043 2.363) 5.315 19.692 ( 7.667 -2.509 -3.419) 8.762 19.967 ( -0.310 -5.155 7.185) 8.848 20.837 ( -1.508 -1.556 -8.440) 8.714 21.114 ( 3.179 2.375 -1.413) 4.212 21.939 ( -17.371 -3.254 1.127) 17.709 22.864 ( 16.671 5.093 0.457) 17.438 23.279 ( 2.169 -2.332 -2.366) 3.967 23.638 ( -2.082 0.244 3.272) 3.886 23.724 ( -2.704 2.567 -4.402) 5.768 24.036 ( -3.616 0.627 -0.556) 3.712 24.144 ( 1.260 1.706 0.568) 2.195 ======================= Grid point 131 (82/96) ======================= q-point: ( 0.26 -0.26 0.54) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 7.002 -15.257 -0.000) 16.787 2.562 ( -14.821 15.591 0.000) 21.511 2.651 ( -5.819 -9.235 -0.000) 10.916 2.775 ( -10.378 -1.277 -0.000) 10.456 2.972 ( -6.700 17.389 0.000) 18.635 3.330 ( -7.296 0.507 -0.000) 7.314 3.500 ( -3.523 2.238 -0.000) 4.173 3.621 ( 3.351 5.413 0.000) 6.367 3.920 ( 7.316 -10.343 -0.000) 12.669 4.038 ( 4.398 5.722 0.000) 7.217 4.218 ( 3.597 0.032 0.000) 3.597 4.231 ( 1.821 0.814 0.000) 1.995 4.313 ( -4.424 -1.011 -0.000) 4.538 4.378 ( 10.414 11.872 0.000) 15.792 4.566 ( 2.583 10.771 0.000) 11.076 4.662 ( 3.706 -1.121 0.000) 3.872 4.785 ( 2.532 0.050 0.000) 2.532 4.924 ( -7.891 -0.128 -0.000) 7.892 5.053 ( -7.596 1.424 -0.000) 7.728 5.112 ( -19.099 -0.386 -0.000) 19.103 5.286 ( 21.312 6.305 0.000) 22.225 5.420 ( -10.113 -9.178 -0.000) 13.657 5.461 ( 12.121 -3.478 0.000) 12.610 6.080 ( -2.382 -5.304 -0.000) 5.815 6.162 ( 15.128 -10.144 0.000) 18.214 6.405 ( -6.020 11.199 0.000) 12.714 6.970 ( -14.056 4.970 -0.000) 14.909 7.010 ( -2.643 -1.079 -0.000) 2.855 7.694 ( 13.018 -2.812 0.000) 13.318 7.717 ( -9.195 -10.612 -0.000) 14.042 8.373 ( 13.244 0.794 0.000) 13.268 8.427 ( 16.546 -3.478 0.000) 16.907 8.812 ( -13.567 1.738 -0.000) 13.678 8.944 ( -6.552 3.191 -0.000) 7.288 9.081 ( -5.722 5.397 0.000) 7.866 9.391 ( 2.931 -7.979 -0.000) 8.500 9.670 ( -0.707 4.914 0.000) 4.964 10.149 ( -9.018 -1.373 -0.000) 9.122 10.220 ( 8.002 7.819 0.000) 11.188 10.778 ( -17.602 2.368 -0.000) 17.760 10.928 ( 2.286 -0.688 0.000) 2.387 11.170 ( -3.199 0.300 -0.000) 3.213 11.685 ( 1.761 -5.746 -0.000) 6.010 11.778 ( -10.194 -8.206 -0.000) 13.087 11.843 ( 1.187 3.180 0.000) 3.394 12.067 ( -1.286 1.300 0.000) 1.828 12.363 ( -5.299 -4.623 -0.000) 7.033 12.374 ( 11.291 10.839 0.000) 15.652 12.566 ( 11.255 -1.507 0.000) 11.355 12.928 ( 8.828 -10.739 -0.000) 13.901 13.322 ( 7.007 -9.026 -0.000) 11.427 14.919 ( 0.242 6.477 0.000) 6.482 18.201 ( -0.139 -12.885 -0.000) 12.886 19.054 ( -3.501 9.287 0.000) 9.925 19.127 ( 2.014 2.538 0.000) 3.240 19.806 ( -2.055 4.639 0.000) 5.074 20.054 ( 18.478 -7.613 0.000) 19.985 20.858 ( -4.404 -3.435 -0.000) 5.585 21.241 ( 7.461 4.062 0.000) 8.495 21.578 ( -17.634 -5.753 -0.000) 18.548 23.158 ( 12.567 3.817 0.000) 13.133 23.339 ( 1.574 -2.077 -0.000) 2.606 23.549 ( -2.373 -1.981 -0.000) 3.091 23.660 ( -6.727 3.305 -0.000) 7.495 24.002 ( -1.831 1.198 -0.000) 2.188 24.146 ( -0.681 2.411 0.000) 2.505 ======================= Grid point 143 (83/96) ======================= q-point: (-0.29 -0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.000 -0.000 4.206) 4.206 2.266 ( -0.000 0.000 -24.013) 24.013 3.032 ( -0.000 0.000 -6.366) 6.366 3.046 ( -0.000 0.000 -8.567) 8.567 3.234 ( -0.000 0.000 -11.694) 11.694 3.323 ( 0.000 -0.000 0.921) 0.921 3.439 ( -0.000 0.000 -5.841) 5.841 3.449 ( -0.000 0.000 -3.863) 3.863 3.519 ( -0.000 0.000 -8.448) 8.448 3.656 ( 0.000 -0.000 2.579) 2.579 3.960 ( -0.000 0.000 -16.916) 16.916 4.013 ( -0.000 0.000 -5.965) 5.965 4.021 ( -0.000 0.000 -4.918) 4.918 4.165 ( 0.000 -0.000 7.992) 7.992 4.501 ( 0.000 -0.000 5.465) 5.465 4.509 ( 0.000 -0.000 5.614) 5.614 4.624 ( -0.000 0.000 -8.648) 8.648 4.844 ( 0.000 -0.000 4.094) 4.094 5.057 ( -0.000 0.000 -0.351) 0.351 5.128 ( 0.000 -0.000 6.387) 6.387 5.486 ( 0.000 -0.000 7.684) 7.684 5.576 ( 0.000 -0.000 6.871) 6.871 5.769 ( 0.000 -0.000 10.299) 10.299 6.058 ( -0.000 0.000 -20.195) 20.195 6.362 ( -0.000 0.000 -1.909) 1.909 6.652 ( 0.000 -0.000 12.309) 12.309 6.842 ( -0.000 0.000 -3.208) 3.208 7.310 ( -0.000 0.000 -1.814) 1.814 7.356 ( -0.000 0.000 -17.999) 17.999 7.836 ( 0.000 -0.000 15.180) 15.180 8.056 ( 0.000 -0.000 6.002) 6.002 8.426 ( 0.000 -0.000 22.574) 22.574 8.601 ( -0.000 0.000 -16.964) 16.964 9.112 ( 0.000 -0.000 1.930) 1.930 9.127 ( -0.000 0.000 -3.636) 3.636 9.488 ( -0.000 0.000 -11.200) 11.200 9.611 ( -0.000 0.000 -1.097) 1.097 9.983 ( -0.000 0.000 -3.070) 3.070 10.188 ( -0.000 0.000 -8.745) 8.745 10.231 ( -0.000 0.000 -5.317) 5.317 11.525 ( -0.000 0.000 -1.382) 1.382 11.563 ( -0.000 0.000 -2.262) 2.262 11.605 ( -0.000 0.000 -2.340) 2.340 11.737 ( 0.000 -0.000 5.931) 5.931 11.848 ( 0.000 -0.000 4.175) 4.175 11.908 ( 0.000 -0.000 1.531) 1.531 12.250 ( 0.000 -0.000 9.364) 9.364 12.425 ( -0.000 0.000 -1.855) 1.855 12.642 ( 0.000 -0.000 6.173) 6.173 12.837 ( 0.000 -0.000 9.715) 9.715 13.397 ( 0.000 -0.000 1.743) 1.743 15.175 ( 0.000 -0.000 5.312) 5.312 18.466 ( 0.000 -0.000 11.366) 11.366 18.676 ( -0.000 0.000 -12.195) 12.195 18.837 ( -0.000 0.000 -7.255) 7.255 19.860 ( 0.000 -0.000 4.753) 4.753 20.190 ( 0.000 -0.000 7.187) 7.187 20.455 ( -0.000 0.000 -11.428) 11.428 21.098 ( 0.000 -0.000 3.192) 3.192 22.218 ( 0.000 -0.000 2.490) 2.490 22.632 ( -0.000 0.000 -7.708) 7.708 23.161 ( 0.000 -0.000 0.471) 0.471 23.550 ( -0.000 0.000 -2.639) 2.639 23.729 ( -0.000 0.000 -1.503) 1.503 24.042 ( -0.000 0.000 -3.200) 3.200 24.158 ( 0.000 -0.000 2.151) 2.151 ======================= Grid point 144 (84/96) ======================= q-point: (-0.43 -0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 1.836 -0.000 18.264) 18.356 2.749 ( 6.404 -0.000 -14.527) 15.875 2.884 ( -12.185 0.000 6.328) 13.730 3.041 ( -18.393 0.000 -2.721) 18.593 3.078 ( -3.819 0.000 1.768) 4.208 3.408 ( 4.524 -0.000 -4.308) 6.247 3.497 ( -6.329 0.000 -2.974) 6.993 3.574 ( 8.297 -0.000 -0.968) 8.353 3.691 ( 5.489 -0.000 4.281) 6.961 3.890 ( -2.120 0.000 -26.019) 26.105 4.034 ( 0.763 -0.000 -0.888) 1.171 4.133 ( 1.985 -0.000 -4.040) 4.501 4.194 ( 9.453 -0.000 0.135) 9.453 4.310 ( -2.973 0.000 -10.205) 10.629 4.461 ( 4.414 -0.000 6.091) 7.522 4.576 ( 10.448 -0.000 -8.217) 13.292 4.731 ( 2.851 -0.000 6.657) 7.242 4.791 ( -5.170 0.000 -3.482) 6.233 5.064 ( 1.615 -0.000 -0.269) 1.637 5.169 ( 13.607 -0.000 -7.226) 15.407 5.335 ( -1.681 0.000 6.686) 6.894 5.373 ( -7.502 0.000 4.850) 8.934 5.644 ( 5.273 -0.000 9.186) 10.592 6.077 ( -18.122 0.000 13.457) 22.572 6.434 ( -0.867 0.000 5.000) 5.075 6.468 ( -0.391 0.000 -16.564) 16.568 7.043 ( 9.650 -0.000 -0.506) 9.664 7.343 ( -0.478 -0.000 6.663) 6.680 7.471 ( -3.126 0.000 3.887) 4.988 7.655 ( 2.330 -0.000 -5.491) 5.965 7.872 ( -4.336 0.000 1.040) 4.458 8.291 ( 11.738 -0.000 7.585) 13.976 8.815 ( -8.698 0.000 -12.688) 15.383 9.097 ( 0.940 -0.000 -1.508) 1.777 9.161 ( -2.675 0.000 -2.461) 3.635 9.508 ( -5.492 0.000 3.664) 6.602 9.636 ( -0.045 0.000 -1.877) 1.878 10.071 ( 3.185 -0.000 -3.563) 4.779 10.324 ( -1.111 0.000 -3.524) 3.695 10.436 ( 3.463 -0.000 -11.831) 12.327 11.280 ( -21.607 0.000 3.165) 21.837 11.505 ( -2.360 0.000 8.362) 8.688 11.565 ( 1.235 -0.000 -1.016) 1.599 11.680 ( -4.870 0.000 -6.294) 7.958 11.882 ( 1.448 -0.000 -3.688) 3.962 11.885 ( 0.622 -0.000 0.841) 1.046 12.324 ( 11.310 -0.000 1.521) 11.412 12.472 ( 4.553 -0.000 1.224) 4.715 12.562 ( 6.028 -0.000 6.660) 8.983 12.672 ( 4.003 -0.000 11.516) 12.192 13.354 ( -0.219 -0.000 3.152) 3.160 15.039 ( -2.720 0.000 3.885) 4.743 18.264 ( 0.165 -0.000 9.602) 9.603 18.909 ( 0.193 0.000 -11.429) 11.431 19.025 ( 2.444 -0.000 -7.369) 7.763 19.812 ( 7.059 -0.000 5.891) 9.195 20.036 ( -0.895 -0.000 7.468) 7.521 20.656 ( -1.360 0.000 -10.254) 10.343 21.099 ( 2.368 -0.000 -1.394) 2.748 21.939 ( -17.524 0.000 2.145) 17.654 22.949 ( 17.137 -0.000 -0.377) 17.141 23.198 ( 2.093 -0.000 -1.832) 2.781 23.638 ( -0.034 0.000 -5.236) 5.236 23.695 ( -3.169 0.000 1.711) 3.602 24.024 ( -4.850 0.000 -1.550) 5.092 24.160 ( 1.454 -0.000 0.043) 1.454 ======================= Grid point 145 (85/96) ======================= q-point: ( 0.43 -0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 3.884 -0.000 18.612) 19.013 2.572 ( -9.580 0.000 3.383) 10.160 2.718 ( -17.929 0.000 -2.653) 18.124 2.815 ( -13.468 0.000 5.414) 14.515 3.048 ( 2.646 -0.000 -8.459) 8.863 3.389 ( -5.000 0.000 1.079) 5.115 3.523 ( -0.555 0.000 -0.834) 1.002 3.707 ( 5.468 -0.000 5.133) 7.500 3.757 ( 5.653 -0.000 -2.799) 6.308 4.097 ( -13.908 0.000 -13.880) 19.649 4.149 ( 4.450 -0.000 0.399) 4.468 4.213 ( 0.531 -0.000 -1.415) 1.511 4.320 ( 3.541 -0.000 5.311) 6.383 4.446 ( -2.371 0.000 -7.257) 7.635 4.483 ( 11.943 -0.000 -3.520) 12.451 4.657 ( -1.977 0.000 0.924) 2.183 4.871 ( 4.640 -0.000 -1.458) 4.864 4.978 ( 0.031 -0.000 3.082) 3.082 5.000 ( 1.069 0.000 -11.374) 11.424 5.159 ( -0.428 -0.000 3.510) 3.536 5.297 ( -3.807 0.000 -2.381) 4.490 5.371 ( -16.711 0.000 18.717) 25.091 5.630 ( 13.773 -0.000 5.363) 14.780 5.757 ( 15.981 -0.000 -13.761) 21.089 6.257 ( -1.134 -0.000 10.032) 10.096 6.565 ( -5.088 0.000 0.379) 5.102 7.050 ( 1.174 -0.000 8.306) 8.388 7.052 ( -11.204 0.000 4.485) 12.068 7.449 ( -4.601 0.000 -8.263) 9.457 7.805 ( 2.866 -0.000 5.279) 6.007 8.134 ( 13.416 -0.000 -18.900) 23.177 8.438 ( 13.493 -0.000 3.693) 13.989 8.763 ( -11.733 0.000 -4.343) 12.511 9.071 ( -6.419 0.000 4.419) 7.793 9.192 ( -3.012 0.000 -0.836) 3.126 9.265 ( -0.798 0.000 1.441) 1.647 9.691 ( 0.757 -0.000 -3.040) 3.133 10.194 ( -9.269 0.000 5.404) 10.730 10.263 ( 8.400 -0.000 -4.460) 9.511 10.761 ( 4.645 -0.000 -11.913) 12.787 10.829 ( -16.806 0.000 2.764) 17.032 11.281 ( -8.299 0.000 5.826) 10.140 11.609 ( 2.023 -0.000 -0.583) 2.105 11.667 ( -4.919 0.000 -1.402) 5.115 11.890 ( 2.254 -0.000 1.209) 2.558 11.996 ( -2.410 0.000 -7.131) 7.528 12.328 ( -5.602 0.000 0.979) 5.687 12.584 ( 11.211 -0.000 2.512) 11.489 12.623 ( 9.755 -0.000 5.723) 11.310 12.754 ( 16.962 -0.000 1.990) 17.079 13.275 ( 0.011 -0.000 3.354) 3.354 14.985 ( 1.262 -0.000 -0.088) 1.265 18.122 ( 0.338 -0.000 5.486) 5.497 19.086 ( -0.988 0.000 -7.079) 7.148 19.116 ( -3.729 0.000 -2.851) 4.694 19.906 ( 0.540 -0.000 4.768) 4.798 19.993 ( 19.638 -0.000 2.041) 19.744 20.767 ( -3.540 0.000 -5.843) 6.832 21.240 ( 6.299 -0.000 -3.716) 7.313 21.542 ( -17.646 0.000 2.463) 17.817 23.221 ( 12.072 -0.000 1.634) 12.182 23.288 ( 2.248 -0.000 -2.239) 3.173 23.563 ( -4.508 0.000 3.024) 5.428 23.676 ( -4.248 0.000 -1.656) 4.560 23.987 ( -2.425 0.000 -2.545) 3.515 24.170 ( -0.828 0.000 -0.071) 0.831 ======================= Grid point 146 (86/96) ======================= q-point: ( 0.29 -0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 7.686 -0.000 0.000) 7.686 2.365 ( -10.977 0.000 -0.000) 10.977 2.408 ( -21.376 0.000 -0.000) 21.376 2.466 ( -7.741 0.000 -0.000) 7.741 3.196 ( 2.030 -0.000 0.000) 2.030 3.247 ( -3.887 0.000 -0.000) 3.887 3.468 ( -3.787 0.000 -0.000) 3.787 3.740 ( 3.423 -0.000 0.000) 3.423 3.864 ( 0.589 -0.000 0.000) 0.589 3.961 ( -15.065 0.000 -0.000) 15.065 4.199 ( -2.740 0.000 -0.000) 2.740 4.316 ( 11.507 -0.000 0.000) 11.507 4.357 ( -10.595 0.000 -0.000) 10.595 4.395 ( 7.934 -0.000 0.000) 7.934 4.407 ( -18.290 0.000 -0.000) 18.290 4.601 ( -16.483 0.000 -0.000) 16.483 4.876 ( 9.210 -0.000 0.000) 9.210 4.879 ( -10.334 0.000 -0.000) 10.334 5.003 ( 3.919 -0.000 0.000) 3.919 5.087 ( -8.078 0.000 -0.000) 8.078 5.155 ( 9.040 -0.000 0.000) 9.040 5.463 ( 11.727 -0.000 0.000) 11.727 5.990 ( -0.962 0.000 -0.000) 0.962 6.017 ( 21.094 -0.000 0.000) 21.094 6.282 ( 7.915 -0.000 0.000) 7.915 6.319 ( -12.405 0.000 -0.000) 12.405 6.837 ( -7.185 0.000 -0.000) 7.185 6.973 ( 1.148 -0.000 0.000) 1.148 7.313 ( -13.647 0.000 -0.000) 13.647 7.909 ( 10.057 -0.000 0.000) 10.057 8.459 ( -16.366 0.000 -0.000) 16.366 8.677 ( 6.831 -0.000 0.000) 6.831 8.684 ( 15.183 -0.000 0.000) 15.183 8.895 ( 4.123 -0.000 0.000) 4.123 9.086 ( -4.340 0.000 -0.000) 4.340 9.381 ( 6.120 -0.000 0.000) 6.120 9.750 ( 0.953 -0.000 0.000) 0.953 9.900 ( -10.969 0.000 -0.000) 10.969 10.508 ( -12.451 0.000 -0.000) 12.451 10.540 ( 12.783 -0.000 0.000) 12.783 10.902 ( -23.383 0.000 -0.000) 23.383 10.982 ( 3.543 -0.000 0.000) 3.543 11.620 ( 2.615 -0.000 0.000) 2.615 11.677 ( 3.946 -0.000 0.000) 3.946 11.950 ( 5.574 -0.000 0.000) 5.574 12.015 ( -1.914 0.000 -0.000) 1.914 12.169 ( -8.628 0.000 -0.000) 8.628 12.739 ( 2.245 -0.000 0.000) 2.245 12.810 ( 12.884 -0.000 0.000) 12.884 13.010 ( 10.054 -0.000 0.000) 10.054 13.357 ( 14.856 -0.000 0.000) 14.856 15.052 ( 3.698 -0.000 0.000) 3.698 18.077 ( 0.414 -0.000 0.000) 0.414 19.038 ( -5.578 0.000 -0.000) 5.578 19.122 ( -1.959 0.000 -0.000) 1.959 19.892 ( 2.203 -0.000 0.000) 2.203 20.437 ( 24.802 -0.000 0.000) 24.802 20.733 ( -5.360 0.000 -0.000) 5.360 21.158 ( -17.508 0.000 -0.000) 17.508 21.464 ( 10.985 -0.000 0.000) 10.985 23.348 ( 1.723 -0.000 0.000) 1.723 23.401 ( 7.211 -0.000 0.000) 7.211 23.452 ( -3.343 0.000 -0.000) 3.343 23.545 ( -8.283 0.000 -0.000) 8.283 23.978 ( -1.961 0.000 -0.000) 1.961 24.123 ( -4.213 0.000 -0.000) 4.213 ======================= Grid point 150 (87/96) ======================= q-point: ( 0.30 -0.30 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.000 -7.360 -0.000) 7.360 2.281 ( 0.000 34.103 0.000) 34.103 2.786 ( 0.000 19.937 0.000) 19.937 2.970 ( 0.000 4.042 0.000) 4.042 3.056 ( -0.000 -8.076 -0.000) 8.076 3.214 ( 0.000 41.927 0.000) 41.927 3.335 ( 0.000 8.225 0.000) 8.225 3.665 ( 0.000 6.087 0.000) 6.087 3.760 ( 0.000 0.278 0.000) 0.278 3.792 ( 0.000 0.841 0.000) 0.841 3.892 ( -0.000 -14.385 -0.000) 14.385 3.954 ( 0.000 10.604 0.000) 10.604 4.096 ( 0.000 0.899 0.000) 0.899 4.163 ( 0.000 2.749 0.000) 2.749 4.213 ( 0.000 9.953 0.000) 9.953 4.520 ( 0.000 4.352 0.000) 4.352 4.691 ( -0.000 -1.603 -0.000) 1.603 4.952 ( 0.000 5.339 0.000) 5.339 5.092 ( 0.000 3.074 0.000) 3.074 5.391 ( -0.000 -10.408 -0.000) 10.408 5.458 ( -0.000 -0.745 -0.000) 0.745 5.814 ( 0.000 0.541 0.000) 0.541 5.836 ( -0.000 -16.388 -0.000) 16.388 5.864 ( -0.000 -23.065 -0.000) 23.065 6.178 ( 0.000 14.398 0.000) 14.398 6.320 ( -0.000 -9.815 -0.000) 9.815 6.953 ( 0.000 11.354 0.000) 11.354 7.538 ( -0.000 -6.728 -0.000) 6.728 7.548 ( -0.000 -16.625 -0.000) 16.625 7.836 ( 0.000 6.541 0.000) 6.541 8.059 ( 0.000 1.955 0.000) 1.955 8.110 ( -0.000 -11.038 -0.000) 11.038 8.619 ( 0.000 24.554 0.000) 24.554 9.091 ( 0.000 8.414 0.000) 8.414 9.326 ( -0.000 -3.754 -0.000) 3.754 9.451 ( -0.000 -6.633 -0.000) 6.633 9.618 ( 0.000 3.038 0.000) 3.038 9.942 ( 0.000 6.097 0.000) 6.097 10.246 ( 0.000 7.261 0.000) 7.261 10.954 ( -0.000 -5.533 -0.000) 5.533 11.291 ( -0.000 -5.553 -0.000) 5.553 11.518 ( 0.000 1.962 0.000) 1.962 11.635 ( 0.000 6.717 0.000) 6.717 11.819 ( -0.000 -9.471 -0.000) 9.471 11.840 ( 0.000 0.461 0.000) 0.461 12.132 ( -0.000 -0.949 -0.000) 0.949 12.322 ( -0.000 -0.375 -0.000) 0.375 12.347 ( -0.000 -11.383 -0.000) 11.383 12.636 ( -0.000 -14.366 -0.000) 14.366 12.658 ( -0.000 -7.693 -0.000) 7.693 13.337 ( -0.000 -1.651 -0.000) 1.651 14.895 ( 0.000 1.709 0.000) 1.709 18.604 ( -0.000 -24.896 -0.000) 24.896 18.814 ( 0.000 18.326 0.000) 18.326 18.837 ( 0.000 8.850 0.000) 8.850 19.932 ( -0.000 -2.297 -0.000) 2.297 19.988 ( -0.000 -14.598 -0.000) 14.598 20.982 ( 0.000 7.189 0.000) 7.189 21.073 ( -0.000 -8.616 -0.000) 8.616 22.241 ( -0.000 -3.855 -0.000) 3.855 22.507 ( 0.000 6.774 0.000) 6.774 23.345 ( -0.000 -2.081 -0.000) 2.081 23.572 ( 0.000 2.286 0.000) 2.286 23.723 ( 0.000 5.851 0.000) 5.851 24.055 ( 0.000 4.251 0.000) 4.251 24.074 ( -0.000 -0.855 -0.000) 0.855 ======================= Grid point 164 (88/96) ======================= q-point: ( 0.47 -0.33 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.000 -12.069 20.302) 23.618 2.761 ( 0.000 16.634 -8.254) 18.569 2.927 ( 0.000 -2.630 4.462) 5.180 3.067 ( 0.000 7.595 4.214) 8.686 3.094 ( 0.000 19.222 -10.187) 21.755 3.418 ( -0.000 1.860 -2.796) 3.358 3.515 ( -0.000 -11.650 -5.149) 12.737 3.691 ( -0.000 -5.830 2.043) 6.178 3.714 ( 0.000 5.593 -5.956) 8.170 3.863 ( 0.000 -0.129 5.614) 5.616 3.967 ( 0.000 22.581 2.591) 22.729 4.086 ( 0.000 3.842 0.289) 3.853 4.148 ( 0.000 2.161 -0.903) 2.342 4.354 ( -0.000 1.646 -15.231) 15.319 4.400 ( 0.000 13.681 4.759) 14.485 4.600 ( 0.000 6.440 6.833) 9.390 4.709 ( -0.000 -3.351 -1.965) 3.885 5.037 ( -0.000 -10.195 -8.726) 13.419 5.094 ( 0.000 3.392 2.263) 4.077 5.155 ( -0.000 -11.186 -8.988) 14.350 5.280 ( 0.000 -0.700 8.707) 8.735 5.365 ( -0.000 -7.123 -10.166) 12.413 5.505 ( -0.000 -3.067 -0.514) 3.110 6.100 ( 0.000 -3.165 18.130) 18.404 6.269 ( 0.000 -6.414 9.824) 11.733 6.452 ( 0.000 14.887 -2.627) 15.117 7.137 ( -0.000 -14.934 -1.167) 14.979 7.274 ( 0.000 10.845 1.807) 10.995 7.416 ( -0.000 -6.125 0.279) 6.131 7.850 ( -0.000 -4.264 -7.661) 8.768 7.934 ( -0.000 -7.652 2.743) 8.129 8.092 ( 0.000 6.075 -1.751) 6.322 8.998 ( 0.000 15.629 -4.959) 16.396 9.170 ( 0.000 5.501 -5.427) 7.727 9.184 ( -0.000 -8.372 -0.590) 8.393 9.423 ( 0.000 -1.731 6.699) 6.919 9.660 ( 0.000 0.403 0.351) 0.534 10.037 ( 0.000 4.115 -1.383) 4.342 10.373 ( 0.000 3.189 0.364) 3.210 10.713 ( -0.000 -4.890 -12.126) 13.075 11.326 ( 0.000 -2.500 10.384) 10.681 11.550 ( 0.000 4.635 -2.437) 5.237 11.633 ( -0.000 -5.785 -1.394) 5.950 11.827 ( 0.000 6.858 3.151) 7.547 11.853 ( 0.000 0.704 0.288) 0.761 12.007 ( -0.000 -7.172 -7.493) 10.372 12.010 ( -0.000 -1.117 -9.451) 9.517 12.364 ( 0.000 0.748 3.875) 3.946 12.525 ( -0.000 -11.992 12.238) 17.134 12.549 ( -0.000 -6.420 2.710) 6.968 13.326 ( 0.000 -0.959 1.603) 1.868 14.965 ( 0.000 0.996 3.912) 4.037 18.263 ( -0.000 -14.750 5.833) 15.861 18.898 ( 0.000 11.909 -9.300) 15.110 19.230 ( 0.000 5.655 3.256) 6.525 19.613 ( -0.000 -5.695 -4.125) 7.032 19.979 ( -0.000 -5.785 7.521) 9.488 20.851 ( -0.000 -0.952 -8.973) 9.024 21.084 ( 0.000 1.787 -0.875) 1.989 22.179 ( -0.000 -2.623 0.716) 2.719 22.624 ( 0.000 5.215 1.028) 5.315 23.259 ( -0.000 -1.593 -3.531) 3.874 23.659 ( 0.000 1.099 3.537) 3.704 23.750 ( -0.000 2.689 -5.981) 6.558 24.091 ( 0.000 -0.933 2.685) 2.843 24.113 ( 0.000 2.356 -1.203) 2.645 ======================= Grid point 165 (89/96) ======================= q-point: ( 0.33 -0.33 0.47) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 4.363 -13.689 -0.000) 14.368 2.778 ( -6.860 21.945 0.000) 22.992 2.784 ( -7.374 -6.937 -0.000) 10.124 2.949 ( -6.607 0.992 -0.000) 6.681 3.128 ( -8.082 15.631 0.000) 17.597 3.452 ( -1.931 1.184 -0.000) 2.265 3.573 ( -3.542 -1.168 -0.000) 3.730 3.611 ( -5.611 -3.204 -0.000) 6.461 3.739 ( 8.572 -9.273 -0.000) 12.628 4.002 ( 1.063 11.648 0.000) 11.697 4.082 ( 16.493 7.849 0.000) 18.265 4.125 ( 8.161 12.704 0.000) 15.099 4.170 ( 1.648 2.950 0.000) 3.379 4.267 ( 4.110 10.168 0.000) 10.967 4.554 ( -4.396 4.551 0.000) 6.327 4.631 ( 0.131 -3.316 -0.000) 3.319 4.793 ( 20.610 13.730 0.000) 24.764 4.940 ( -8.651 -3.208 -0.000) 9.227 5.091 ( -7.017 2.493 -0.000) 7.447 5.211 ( -1.083 -4.426 -0.000) 4.556 5.292 ( 0.261 -14.305 -0.000) 14.307 5.408 ( -8.602 3.022 -0.000) 9.117 5.618 ( -10.864 -7.992 -0.000) 13.487 5.833 ( 17.749 -13.553 0.000) 22.332 6.129 ( -2.376 -6.041 -0.000) 6.492 6.468 ( -0.960 14.182 0.000) 14.214 7.065 ( -2.466 -4.211 -0.000) 4.880 7.249 ( -13.375 -0.214 -0.000) 13.376 7.440 ( 11.480 -1.380 0.000) 11.563 7.861 ( -4.900 -6.964 -0.000) 8.515 8.107 ( 13.882 -1.878 0.000) 14.008 8.187 ( 6.682 2.953 0.000) 7.305 8.995 ( -4.933 13.751 0.000) 14.609 9.080 ( -7.203 1.218 -0.000) 7.306 9.228 ( -8.096 -4.257 -0.000) 9.147 9.328 ( 4.089 -4.247 -0.000) 5.895 9.667 ( 0.500 2.316 0.000) 2.370 10.094 ( 4.482 5.105 0.000) 6.793 10.307 ( -5.963 2.646 -0.000) 6.524 10.882 ( 1.633 -1.759 -0.000) 2.400 11.188 ( -0.161 -2.092 -0.000) 2.099 11.195 ( -23.506 1.697 -0.000) 23.567 11.657 ( 0.881 -6.721 -0.000) 6.778 11.833 ( 0.187 2.105 0.000) 2.113 11.981 ( -9.027 -6.164 -0.000) 10.931 12.004 ( 8.441 9.836 0.000) 12.961 12.270 ( -0.481 0.084 -0.000) 0.488 12.306 ( 9.326 -1.329 0.000) 9.420 12.492 ( -2.153 -6.490 -0.000) 6.838 12.608 ( 19.469 -15.913 0.000) 25.145 13.294 ( -1.145 -1.732 -0.000) 2.076 14.920 ( -0.319 2.601 0.000) 2.620 18.204 ( -0.200 -13.985 -0.000) 13.987 19.073 ( 3.091 8.459 0.000) 9.006 19.114 ( -2.385 12.200 0.000) 12.431 19.780 ( 9.041 -12.566 -0.000) 15.480 19.851 ( -2.196 -0.730 -0.000) 2.314 20.921 ( -2.106 -4.296 -0.000) 4.785 21.130 ( 3.805 3.973 0.000) 5.502 21.928 ( -17.641 -3.544 -0.000) 17.994 22.856 ( 17.183 3.250 0.000) 17.488 23.315 ( 0.845 -1.692 -0.000) 1.891 23.592 ( -1.776 0.395 -0.000) 1.819 23.772 ( -4.437 3.510 -0.000) 5.657 24.040 ( -1.704 0.163 -0.000) 1.712 24.139 ( 1.006 2.574 0.000) 2.764 ======================= Grid point 178 (90/96) ======================= q-point: (-0.36 -0.36 0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 -0.000 18.589) 18.589 2.668 ( -0.000 0.000 -17.202) 17.202 3.088 ( 0.000 -0.000 12.900) 12.900 3.150 ( -0.000 0.000 -7.315) 7.315 3.175 ( -0.000 0.000 -5.637) 5.637 3.301 ( 0.000 -0.000 0.411) 0.411 3.486 ( -0.000 0.000 -0.012) 0.012 3.601 ( 0.000 -0.000 3.124) 3.124 3.650 ( -0.000 0.000 -6.013) 6.013 3.918 ( -0.000 0.000 -29.798) 29.798 4.010 ( 0.000 -0.000 7.748) 7.748 4.093 ( -0.000 0.000 -2.705) 2.705 4.113 ( -0.000 0.000 -4.141) 4.141 4.302 ( -0.000 0.000 -16.961) 16.961 4.403 ( 0.000 -0.000 4.758) 4.758 4.485 ( -0.000 0.000 -4.336) 4.336 4.724 ( 0.000 -0.000 7.687) 7.687 4.847 ( -0.000 0.000 -13.660) 13.660 5.021 ( 0.000 -0.000 4.524) 4.524 5.030 ( 0.000 -0.000 3.445) 3.445 5.350 ( 0.000 -0.000 5.970) 5.970 5.506 ( 0.000 -0.000 1.284) 1.284 5.535 ( 0.000 -0.000 13.918) 13.918 6.327 ( 0.000 -0.000 6.718) 6.718 6.418 ( 0.000 -0.000 12.119) 12.119 6.473 ( -0.000 0.000 -19.017) 19.017 6.901 ( -0.000 0.000 -2.035) 2.035 7.335 ( -0.000 0.000 -0.941) 0.941 7.508 ( 0.000 -0.000 3.131) 3.131 7.645 ( 0.000 -0.000 1.941) 1.941 7.942 ( 0.000 -0.000 5.559) 5.559 8.147 ( 0.000 -0.000 4.027) 4.027 8.913 ( -0.000 0.000 -15.243) 15.243 9.084 ( 0.000 -0.000 0.901) 0.901 9.189 ( -0.000 0.000 -2.830) 2.830 9.557 ( 0.000 -0.000 3.622) 3.622 9.636 ( -0.000 0.000 -1.461) 1.461 10.039 ( -0.000 0.000 -2.648) 2.648 10.333 ( -0.000 0.000 -5.900) 5.900 10.408 ( -0.000 0.000 -12.551) 12.551 11.511 ( 0.000 -0.000 10.098) 10.098 11.549 ( -0.000 0.000 -1.112) 1.112 11.593 ( -0.000 0.000 -0.911) 0.911 11.791 ( -0.000 0.000 -9.323) 9.323 11.812 ( -0.000 0.000 -0.984) 0.984 11.881 ( 0.000 -0.000 1.255) 1.255 12.083 ( 0.000 -0.000 7.813) 7.813 12.437 ( 0.000 -0.000 0.895) 0.895 12.536 ( 0.000 -0.000 4.673) 4.673 12.625 ( 0.000 -0.000 12.316) 12.316 13.357 ( 0.000 -0.000 2.328) 2.328 15.069 ( 0.000 -0.000 5.596) 5.596 18.262 ( 0.000 -0.000 9.629) 9.629 18.907 ( -0.000 0.000 -11.714) 11.714 18.992 ( -0.000 0.000 -8.878) 8.878 19.749 ( 0.000 -0.000 6.839) 6.839 20.045 ( 0.000 -0.000 7.842) 7.842 20.670 ( -0.000 0.000 -10.524) 10.524 21.076 ( -0.000 0.000 -0.654) 0.654 22.177 ( 0.000 -0.000 1.760) 1.760 22.709 ( -0.000 0.000 -0.402) 0.402 23.177 ( -0.000 0.000 -2.236) 2.236 23.639 ( -0.000 0.000 -6.648) 6.648 23.727 ( 0.000 -0.000 1.683) 1.683 24.098 ( -0.000 0.000 -2.588) 2.588 24.121 ( 0.000 -0.000 1.893) 1.893 ======================= Grid point 179 (91/96) ======================= q-point: ( 0.50 -0.36 0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 2.878 -0.000 20.850) 21.047 2.753 ( -9.617 0.000 5.568) 11.113 2.912 ( 2.382 -0.000 0.103) 2.384 3.100 ( -17.487 0.000 -2.740) 17.700 3.128 ( -10.183 0.000 -10.625) 14.717 3.466 ( 2.785 -0.000 0.095) 2.787 3.546 ( -5.629 0.000 -2.195) 6.041 3.574 ( 10.735 -0.000 0.620) 10.753 3.626 ( 0.846 -0.000 1.657) 1.861 4.086 ( 6.509 -0.000 -4.019) 7.650 4.169 ( 9.710 -0.000 3.018) 10.168 4.181 ( 1.210 -0.000 -1.621) 2.023 4.315 ( -5.115 0.000 -14.535) 15.408 4.328 ( 0.150 -0.000 6.411) 6.412 4.508 ( -4.804 0.000 -10.464) 11.514 4.643 ( 9.515 -0.000 2.518) 9.843 4.751 ( -2.181 0.000 -6.152) 6.527 4.854 ( 2.680 -0.000 -7.486) 7.951 5.062 ( 5.435 -0.000 -0.172) 5.437 5.210 ( -1.122 0.000 2.356) 2.610 5.250 ( 0.282 -0.000 8.441) 8.446 5.424 ( 15.598 -0.000 -13.798) 20.825 5.500 ( 0.458 -0.000 4.432) 4.456 5.781 ( -20.611 0.000 16.356) 26.312 6.266 ( 1.198 -0.000 12.871) 12.927 6.651 ( -3.135 0.000 -3.333) 4.576 6.982 ( 5.716 -0.000 5.397) 7.861 7.252 ( -8.512 0.000 1.958) 8.734 7.431 ( 2.713 -0.000 -2.004) 3.373 7.835 ( -2.647 0.000 3.548) 4.426 7.899 ( 9.744 -0.000 -16.033) 18.762 8.231 ( 6.890 -0.000 0.334) 6.898 8.973 ( -8.946 0.000 -4.546) 10.035 9.151 ( -1.785 0.000 -1.669) 2.444 9.226 ( -1.121 0.000 -5.060) 5.183 9.347 ( -5.040 0.000 10.791) 11.910 9.673 ( 0.900 -0.000 -1.650) 1.880 10.128 ( 4.862 -0.000 -2.237) 5.352 10.345 ( -5.666 0.000 0.688) 5.707 10.689 ( 2.489 -0.000 -13.521) 13.748 11.231 ( -23.241 0.000 1.866) 23.316 11.318 ( 1.249 -0.000 10.715) 10.788 11.579 ( 1.016 -0.000 -0.476) 1.122 11.810 ( -7.017 0.000 -7.497) 10.269 11.864 ( 0.608 -0.000 1.198) 1.344 12.027 ( 0.193 0.000 -9.534) 9.536 12.312 ( 18.031 -0.000 -0.157) 18.032 12.405 ( 5.697 -0.000 6.339) 8.523 12.458 ( 1.897 -0.000 4.123) 4.538 12.463 ( 6.147 -0.000 9.176) 11.045 13.300 ( -1.507 0.000 2.235) 2.695 14.974 ( 0.015 -0.000 2.658) 2.658 18.117 ( 0.210 -0.000 5.550) 5.554 19.101 ( -0.492 0.000 -8.116) 8.131 19.165 ( -0.952 0.000 -6.777) 6.844 19.695 ( 9.842 -0.000 5.882) 11.466 19.903 ( -0.061 -0.000 5.948) 5.948 20.818 ( -1.714 0.000 -6.210) 6.442 21.142 ( 3.449 -0.000 -2.500) 4.260 21.905 ( -18.359 0.000 1.400) 18.413 22.918 ( 17.319 -0.000 2.500) 17.499 23.253 ( 1.212 -0.000 -3.499) 3.703 23.640 ( -3.038 0.000 3.525) 4.653 23.750 ( -2.761 0.000 -5.441) 6.101 24.041 ( -2.893 0.000 -0.276) 2.906 24.162 ( 1.366 -0.000 -0.201) 1.381 ======================= Grid point 181 (92/96) ======================= q-point: ( 0.36 -0.36 -0.36) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 5.780 -0.000 0.000) 5.780 2.536 ( -7.788 0.000 -0.000) 7.788 2.747 ( -12.582 0.000 -0.000) 12.582 2.748 ( -19.056 0.000 -0.000) 19.056 3.193 ( -2.919 0.000 -0.000) 2.919 3.331 ( -4.570 0.000 -0.000) 4.570 3.543 ( -3.963 0.000 -0.000) 3.963 3.650 ( 5.440 -0.000 0.000) 5.440 3.774 ( 8.325 -0.000 0.000) 8.325 4.100 ( 6.440 -0.000 0.000) 6.440 4.218 ( 0.712 -0.000 0.000) 0.712 4.258 ( -14.042 0.000 -0.000) 14.042 4.302 ( 3.791 -0.000 0.000) 3.791 4.522 ( 12.019 -0.000 0.000) 12.019 4.577 ( -12.198 0.000 -0.000) 12.198 4.635 ( 4.705 -0.000 0.000) 4.705 4.913 ( 15.098 -0.000 0.000) 15.098 4.923 ( -8.533 0.000 -0.000) 8.533 5.072 ( -8.552 0.000 -0.000) 8.552 5.096 ( -22.331 0.000 -0.000) 22.331 5.208 ( 13.255 -0.000 0.000) 13.255 5.332 ( -9.841 0.000 -0.000) 9.841 5.560 ( 24.873 -0.000 0.000) 24.873 6.021 ( -2.083 0.000 -0.000) 2.083 6.029 ( 16.611 -0.000 0.000) 16.611 6.544 ( -9.284 0.000 -0.000) 9.284 6.957 ( 0.859 -0.000 0.000) 0.859 7.024 ( -11.114 0.000 -0.000) 11.114 7.598 ( -13.493 0.000 -0.000) 13.493 7.688 ( 12.011 -0.000 0.000) 12.011 8.375 ( 16.752 -0.000 0.000) 16.752 8.404 ( 12.441 -0.000 0.000) 12.441 8.789 ( -16.803 0.000 -0.000) 16.803 8.972 ( -5.396 0.000 -0.000) 5.396 9.169 ( -3.992 0.000 -0.000) 3.992 9.308 ( 1.478 -0.000 0.000) 1.478 9.723 ( 1.727 -0.000 0.000) 1.727 10.130 ( -11.838 0.000 -0.000) 11.838 10.309 ( 10.316 -0.000 0.000) 10.316 10.800 ( -17.871 0.000 -0.000) 17.871 10.922 ( 2.909 -0.000 0.000) 2.909 11.176 ( -3.800 0.000 -0.000) 3.800 11.615 ( 2.333 -0.000 0.000) 2.333 11.693 ( -10.321 0.000 -0.000) 10.321 11.876 ( 2.279 -0.000 0.000) 2.279 12.076 ( -4.029 0.000 -0.000) 4.029 12.318 ( -6.401 0.000 -0.000) 6.401 12.551 ( 13.206 -0.000 0.000) 13.206 12.564 ( 12.603 -0.000 0.000) 12.603 12.736 ( 17.924 -0.000 0.000) 17.924 13.241 ( -0.468 0.000 -0.000) 0.468 14.986 ( 2.840 -0.000 0.000) 2.840 18.069 ( 0.388 -0.000 0.000) 0.388 19.146 ( -5.463 0.000 -0.000) 5.463 19.159 ( -1.711 0.000 -0.000) 1.711 19.856 ( 1.336 -0.000 0.000) 1.336 19.971 ( 21.663 -0.000 0.000) 21.663 20.824 ( -3.810 0.000 -0.000) 3.810 21.282 ( 7.522 -0.000 0.000) 7.522 21.516 ( -18.882 0.000 -0.000) 18.882 23.200 ( 13.383 -0.000 0.000) 13.383 23.317 ( 1.316 -0.000 0.000) 1.316 23.525 ( -3.975 0.000 -0.000) 3.975 23.694 ( -6.874 0.000 -0.000) 6.874 24.014 ( -1.663 0.000 -0.000) 1.663 24.170 ( -0.811 0.000 -0.000) 0.811 ======================= Grid point 200 (93/96) ======================= q-point: ( 0.40 -0.40 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -0.000 -13.331 -0.000) 13.331 2.837 ( 0.000 15.756 0.000) 15.756 2.876 ( -0.000 -6.283 -0.000) 6.283 3.023 ( 0.000 9.852 0.000) 9.852 3.225 ( 0.000 17.106 0.000) 17.106 3.452 ( 0.000 3.165 0.000) 3.165 3.565 ( -0.000 -13.335 -0.000) 13.335 3.709 ( -0.000 -9.319 -0.000) 9.319 3.769 ( 0.000 3.025 0.000) 3.025 3.804 ( 0.000 4.169 0.000) 4.169 3.911 ( 0.000 28.096 0.000) 28.096 4.087 ( 0.000 4.115 0.000) 4.115 4.157 ( 0.000 2.763 0.000) 2.763 4.349 ( 0.000 13.414 0.000) 13.414 4.427 ( 0.000 7.816 0.000) 7.816 4.623 ( 0.000 7.620 0.000) 7.620 4.632 ( -0.000 -3.885 -0.000) 3.885 5.067 ( 0.000 4.942 0.000) 4.942 5.145 ( -0.000 -14.384 -0.000) 14.384 5.163 ( 0.000 3.666 0.000) 3.666 5.472 ( -0.000 -15.511 -0.000) 15.511 5.478 ( 0.000 1.877 0.000) 1.877 5.521 ( -0.000 -14.175 -0.000) 14.175 5.752 ( -0.000 -5.044 -0.000) 5.044 6.158 ( -0.000 -6.274 -0.000) 6.274 6.470 ( 0.000 14.874 0.000) 14.874 7.090 ( -0.000 -6.807 -0.000) 6.807 7.313 ( 0.000 0.767 0.000) 0.767 7.413 ( -0.000 -5.478 -0.000) 5.478 7.908 ( -0.000 -8.204 -0.000) 8.204 7.937 ( 0.000 2.988 0.000) 2.988 8.126 ( 0.000 5.070 0.000) 5.070 9.038 ( 0.000 16.609 0.000) 16.609 9.208 ( -0.000 -7.327 -0.000) 7.327 9.233 ( 0.000 5.384 0.000) 5.384 9.320 ( -0.000 -6.031 -0.000) 6.031 9.661 ( 0.000 1.421 0.000) 1.421 10.049 ( 0.000 4.279 0.000) 4.279 10.366 ( 0.000 4.550 0.000) 4.550 10.864 ( -0.000 -3.015 -0.000) 3.015 11.192 ( -0.000 -4.004 -0.000) 4.004 11.571 ( 0.000 2.620 0.000) 2.620 11.649 ( -0.000 -7.023 -0.000) 7.023 11.789 ( 0.000 8.670 0.000) 8.670 11.850 ( 0.000 0.483 0.000) 0.483 12.136 ( 0.000 1.095 0.000) 1.095 12.138 ( -0.000 -8.771 -0.000) 8.771 12.304 ( -0.000 -1.070 -0.000) 1.070 12.355 ( -0.000 -13.518 -0.000) 13.518 12.517 ( -0.000 -6.127 -0.000) 6.127 13.309 ( -0.000 -1.065 -0.000) 1.065 14.925 ( 0.000 1.183 0.000) 1.183 18.207 ( -0.000 -14.540 -0.000) 14.540 19.036 ( 0.000 10.958 0.000) 10.958 19.139 ( 0.000 13.429 0.000) 13.429 19.695 ( -0.000 -14.541 -0.000) 14.541 19.875 ( -0.000 -3.189 -0.000) 3.189 20.942 ( -0.000 -4.585 -0.000) 4.585 21.093 ( 0.000 3.939 0.000) 3.939 22.173 ( -0.000 -2.795 -0.000) 2.795 22.610 ( 0.000 3.609 0.000) 3.609 23.307 ( -0.000 -1.562 -0.000) 1.562 23.611 ( 0.000 1.488 0.000) 1.488 23.819 ( 0.000 3.579 0.000) 3.579 24.058 ( -0.000 -0.676 -0.000) 0.676 24.125 ( 0.000 2.595 0.000) 2.595 ======================= Grid point 216 (94/96) ======================= q-point: (-0.43 0.57 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 -0.000 21.612) 21.612 2.876 ( -0.000 0.000 -4.409) 4.409 2.882 ( 0.000 -0.000 7.677) 7.677 3.271 ( -0.000 0.000 -4.427) 4.427 3.309 ( -0.000 0.000 -8.122) 8.122 3.357 ( -0.000 0.000 -6.489) 6.489 3.460 ( 0.000 -0.000 2.345) 2.345 3.547 ( 0.000 -0.000 2.137) 2.137 3.772 ( -0.000 0.000 -7.064) 7.064 3.877 ( 0.000 -0.000 6.214) 6.214 4.120 ( -0.000 0.000 -0.087) 0.087 4.169 ( -0.000 0.000 -1.775) 1.775 4.322 ( 0.000 -0.000 3.898) 3.898 4.342 ( -0.000 0.000 -11.671) 11.671 4.541 ( -0.000 0.000 -7.018) 7.018 4.586 ( 0.000 -0.000 5.964) 5.964 4.731 ( -0.000 0.000 -18.460) 18.460 4.921 ( 0.000 -0.000 7.699) 7.699 5.009 ( -0.000 0.000 -7.433) 7.433 5.065 ( -0.000 0.000 -6.293) 6.293 5.293 ( 0.000 -0.000 9.399) 9.399 5.302 ( -0.000 0.000 -2.608) 2.608 5.499 ( -0.000 0.000 -0.097) 0.097 6.062 ( 0.000 -0.000 21.145) 21.145 6.202 ( 0.000 -0.000 9.854) 9.854 6.681 ( -0.000 0.000 -3.850) 3.850 6.900 ( 0.000 -0.000 1.524) 1.524 7.348 ( -0.000 0.000 -0.445) 0.445 7.407 ( 0.000 -0.000 3.378) 3.378 7.790 ( -0.000 0.000 -13.699) 13.699 7.855 ( 0.000 -0.000 3.313) 3.313 8.170 ( -0.000 0.000 -2.696) 2.696 9.083 ( -0.000 0.000 -1.014) 1.014 9.150 ( -0.000 0.000 -8.300) 8.300 9.239 ( -0.000 0.000 -2.893) 2.893 9.402 ( 0.000 -0.000 10.831) 10.831 9.663 ( -0.000 0.000 -1.200) 1.200 10.080 ( -0.000 0.000 -1.487) 1.487 10.402 ( -0.000 0.000 -1.544) 1.544 10.665 ( -0.000 0.000 -13.351) 13.351 11.300 ( 0.000 -0.000 11.311) 11.311 11.567 ( -0.000 0.000 -0.703) 0.703 11.601 ( -0.000 0.000 -0.001) 0.001 11.862 ( 0.000 -0.000 0.680) 0.680 11.896 ( -0.000 0.000 -7.693) 7.693 11.963 ( 0.000 -0.000 4.550) 4.550 11.997 ( -0.000 0.000 -11.288) 11.288 12.377 ( 0.000 -0.000 13.354) 13.354 12.383 ( 0.000 -0.000 4.838) 4.838 12.470 ( 0.000 -0.000 2.259) 2.259 13.316 ( 0.000 -0.000 1.715) 1.715 14.976 ( 0.000 -0.000 3.810) 3.810 18.114 ( 0.000 -0.000 5.567) 5.567 19.106 ( -0.000 0.000 -8.531) 8.531 19.167 ( -0.000 0.000 -9.027) 9.027 19.605 ( 0.000 -0.000 7.881) 7.881 19.904 ( 0.000 -0.000 6.430) 6.430 20.835 ( -0.000 0.000 -6.297) 6.297 21.108 ( -0.000 0.000 -2.107) 2.107 22.152 ( 0.000 -0.000 0.894) 0.894 22.677 ( 0.000 -0.000 2.633) 2.633 23.241 ( -0.000 0.000 -3.955) 3.955 23.672 ( 0.000 -0.000 3.623) 3.623 23.777 ( -0.000 0.000 -6.877) 6.877 24.081 ( 0.000 -0.000 2.257) 2.257 24.137 ( -0.000 0.000 -1.452) 1.452 ======================= Grid point 218 (95/96) ======================= q-point: ( 0.43 -0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 3.951 -0.000 0.000) 3.951 2.699 ( -8.555 0.000 -0.000) 8.555 2.889 ( -2.521 0.000 -0.000) 2.521 3.129 ( -17.494 0.000 -0.000) 17.494 3.307 ( -7.407 0.000 -0.000) 7.407 3.415 ( -3.516 0.000 -0.000) 3.516 3.556 ( 3.291 -0.000 0.000) 3.291 3.565 ( 11.411 -0.000 0.000) 11.411 3.634 ( -6.047 0.000 -0.000) 6.047 4.083 ( -2.727 0.000 -0.000) 2.727 4.182 ( 18.931 -0.000 0.000) 18.931 4.195 ( 1.038 -0.000 0.000) 1.038 4.253 ( 0.373 -0.000 0.000) 0.373 4.446 ( -3.726 0.000 -0.000) 3.726 4.586 ( 0.872 -0.000 0.000) 0.872 4.622 ( 12.096 -0.000 0.000) 12.096 4.853 ( -15.617 0.000 -0.000) 15.617 4.964 ( 8.442 -0.000 0.000) 8.442 5.089 ( 21.680 -0.000 0.000) 21.680 5.122 ( -8.333 0.000 -0.000) 8.333 5.224 ( -5.406 0.000 -0.000) 5.406 5.464 ( -3.992 0.000 -0.000) 3.992 5.504 ( -17.166 0.000 -0.000) 17.166 5.671 ( 18.965 -0.000 0.000) 18.965 6.065 ( -2.179 0.000 -0.000) 2.179 6.670 ( -3.814 0.000 -0.000) 3.814 6.923 ( 2.767 -0.000 0.000) 2.767 7.239 ( -9.843 0.000 -0.000) 9.843 7.472 ( 8.719 -0.000 0.000) 8.719 7.786 ( -5.042 0.000 -0.000) 5.042 8.091 ( 11.674 -0.000 0.000) 11.674 8.232 ( 4.674 -0.000 0.000) 4.674 9.065 ( -4.178 0.000 -0.000) 4.178 9.082 ( -11.963 0.000 -0.000) 11.963 9.234 ( -2.322 0.000 -0.000) 2.322 9.297 ( 0.389 -0.000 0.000) 0.389 9.690 ( 1.401 -0.000 0.000) 1.401 10.150 ( 5.648 -0.000 0.000) 5.648 10.331 ( -7.875 0.000 -0.000) 7.875 10.865 ( 2.613 -0.000 0.000) 2.613 11.170 ( 1.771 -0.000 0.000) 1.771 11.213 ( -23.742 0.000 -0.000) 23.742 11.583 ( 0.999 -0.000 0.000) 0.999 11.850 ( 0.556 -0.000 0.000) 0.556 11.910 ( -9.841 0.000 -0.000) 9.841 12.152 ( -2.986 0.000 -0.000) 2.986 12.307 ( 11.185 -0.000 0.000) 11.185 12.318 ( 24.053 -0.000 0.000) 24.053 12.355 ( 7.282 -0.000 0.000) 7.282 12.415 ( -3.390 0.000 -0.000) 3.390 13.277 ( -1.991 0.000 -0.000) 1.991 14.947 ( 1.125 -0.000 0.000) 1.125 18.062 ( 0.229 -0.000 0.000) 0.229 19.186 ( -1.000 0.000 -0.000) 1.000 19.243 ( -3.990 0.000 -0.000) 3.990 19.626 ( 12.700 -0.000 0.000) 12.700 19.839 ( 0.511 -0.000 0.000) 0.511 20.879 ( -1.797 0.000 -0.000) 1.797 21.170 ( 3.843 -0.000 0.000) 3.843 21.890 ( -18.714 0.000 -0.000) 18.714 22.889 ( 17.351 -0.000 0.000) 17.351 23.297 ( 0.705 -0.000 0.000) 0.705 23.596 ( -2.879 0.000 -0.000) 2.879 23.808 ( -4.486 0.000 -0.000) 4.486 24.041 ( -0.994 0.000 -0.000) 0.994 24.165 ( 0.971 -0.000 0.000) 0.971 ======================= Grid point 253 (96/96) ======================= q-point: ( 0.50 -0.50 0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -0.000 0.000 -0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 3.326 ( -0.000 0.000 -0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 -0.000) 0.000 3.528 ( -0.000 0.000 -0.000) 0.000 3.801 ( -0.000 0.000 -0.000) 0.000 3.871 ( -0.000 0.000 -0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.525 ( -0.000 0.000 -0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.883 ( -0.000 0.000 -0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.307 ( -0.000 0.000 -0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.880 ( -0.000 0.000 -0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.961 ( -0.000 0.000 -0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 9.115 ( 0.000 0.000 0.000) 0.000 9.213 ( -0.000 0.000 -0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.675 ( 0.000 0.000 0.000) 0.000 10.094 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.836 ( -0.000 0.000 -0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 11.600 ( -0.000 0.000 -0.000) 0.000 11.856 ( -0.000 0.000 -0.000) 0.000 11.918 ( 0.000 0.000 0.000) 0.000 12.044 ( 0.000 0.000 0.000) 0.000 12.154 ( 0.000 0.000 0.000) 0.000 12.176 ( 0.000 0.000 0.000) 0.000 12.292 ( -0.000 0.000 -0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 13.298 ( -0.000 0.000 -0.000) 0.000 14.937 ( 0.000 0.000 -0.000) 0.000 18.060 ( 0.000 0.000 0.000) 0.000 19.196 ( 0.000 0.000 0.000) 0.000 19.285 ( 0.000 0.000 0.000) 0.000 19.498 ( 0.000 0.000 0.000) 0.000 19.834 ( 0.000 0.000 0.000) 0.000 20.896 ( 0.000 0.000 0.000) 0.000 21.132 ( 0.000 0.000 0.000) 0.000 22.143 ( 0.000 0.000 0.000) 0.000 22.646 ( 0.000 0.000 0.000) 0.000 23.290 ( 0.000 0.000 0.000) 0.000 23.626 ( 0.000 0.000 0.000) 0.000 23.856 ( 0.000 0.000 0.000) 0.000 24.051 ( 0.000 0.000 0.000) 0.000 24.151 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32340 10.0 957.137 947.567 1478.327 0.000 0.000 0.000 3/32340 20.0 214.309 207.679 234.133 0.000 0.000 0.000 3/32340 30.0 75.045 68.163 72.567 0.000 0.000 0.000 3/32340 40.0 38.626 35.386 35.887 0.000 0.000 0.000 3/32340 50.0 24.547 22.620 22.299 0.000 0.000 0.000 3/32340 60.0 17.610 16.247 15.736 0.000 0.000 0.000 3/32340 70.0 13.612 12.549 12.013 0.000 0.000 0.000 3/32340 80.0 11.059 10.180 9.667 0.000 0.000 0.000 3/32340 90.0 9.306 8.553 8.073 0.000 0.000 0.000 3/32340 100.0 8.038 7.376 6.930 0.000 0.000 0.000 3/32340 110.0 7.082 6.489 6.073 0.000 0.000 0.000 3/32340 120.0 6.338 5.799 5.408 0.000 0.000 0.000 3/32340 130.0 5.742 5.247 4.879 0.000 0.000 0.000 3/32340 140.0 5.255 4.797 4.447 0.000 0.000 0.000 3/32340 150.0 4.850 4.423 4.088 0.000 0.000 0.000 3/32340 160.0 4.507 4.106 3.785 0.000 0.000 0.000 3/32340 170.0 4.212 3.835 3.526 0.000 0.000 0.000 3/32340 180.0 3.957 3.601 3.302 0.000 0.000 0.000 3/32340 190.0 3.732 3.395 3.105 0.000 0.000 0.000 3/32340 200.0 3.534 3.213 2.932 0.000 0.000 0.000 3/32340 210.0 3.357 3.051 2.778 0.000 0.000 0.000 3/32340 220.0 3.198 2.906 2.640 0.000 0.000 0.000 3/32340 230.0 3.055 2.775 2.515 0.000 0.000 0.000 3/32340 240.0 2.925 2.656 2.402 0.000 0.000 0.000 3/32340 250.0 2.806 2.547 2.300 0.000 0.000 0.000 3/32340 260.0 2.696 2.447 2.206 0.000 0.000 0.000 3/32340 270.0 2.596 2.355 2.119 0.000 0.000 0.000 3/32340 280.0 2.503 2.271 2.040 0.000 0.000 0.000 3/32340 290.0 2.417 2.192 1.966 0.000 0.000 0.000 3/32340 300.0 2.337 2.119 1.898 0.000 0.000 0.000 3/32340 310.0 2.262 2.050 1.834 0.000 0.000 0.000 3/32340 320.0 2.192 1.986 1.775 0.000 0.000 0.000 3/32340 330.0 2.126 1.926 1.719 0.000 0.000 0.000 3/32340 340.0 2.064 1.870 1.667 0.000 0.000 0.000 3/32340 350.0 2.006 1.817 1.618 0.000 0.000 0.000 3/32340 360.0 1.951 1.767 1.572 0.000 0.000 0.000 3/32340 370.0 1.900 1.720 1.529 0.000 0.000 0.000 3/32340 380.0 1.851 1.675 1.488 0.000 0.000 0.000 3/32340 390.0 1.804 1.632 1.449 0.000 0.000 0.000 3/32340 400.0 1.760 1.592 1.412 0.000 0.000 0.000 3/32340 410.0 1.718 1.554 1.377 0.000 0.000 0.000 3/32340 420.0 1.678 1.517 1.343 0.000 0.000 0.000 3/32340 430.0 1.639 1.482 1.312 0.000 0.000 0.000 3/32340 440.0 1.603 1.449 1.281 0.000 0.000 0.000 3/32340 450.0 1.568 1.417 1.253 0.000 0.000 0.000 3/32340 460.0 1.534 1.387 1.225 0.000 0.000 0.000 3/32340 470.0 1.502 1.358 1.199 0.000 0.000 0.000 3/32340 480.0 1.472 1.330 1.173 0.000 0.000 0.000 3/32340 490.0 1.442 1.303 1.149 0.000 0.000 0.000 3/32340 500.0 1.414 1.277 1.126 0.000 0.000 0.000 3/32340 510.0 1.387 1.253 1.104 0.000 0.000 0.000 3/32340 520.0 1.361 1.229 1.082 0.000 0.000 0.000 3/32340 530.0 1.336 1.206 1.062 0.000 0.000 0.000 3/32340 540.0 1.311 1.184 1.042 0.000 0.000 0.000 3/32340 550.0 1.288 1.162 1.023 0.000 0.000 0.000 3/32340 560.0 1.265 1.142 1.005 0.000 0.000 0.000 3/32340 570.0 1.243 1.122 0.987 0.000 0.000 0.000 3/32340 580.0 1.222 1.103 0.970 0.000 0.000 0.000 3/32340 590.0 1.202 1.085 0.953 0.000 0.000 0.000 3/32340 600.0 1.182 1.067 0.937 0.000 0.000 0.000 3/32340 610.0 1.163 1.049 0.922 0.000 0.000 0.000 3/32340 620.0 1.145 1.033 0.907 0.000 0.000 0.000 3/32340 630.0 1.127 1.016 0.892 0.000 0.000 0.000 3/32340 640.0 1.110 1.001 0.878 0.000 0.000 0.000 3/32340 650.0 1.093 0.985 0.865 0.000 0.000 0.000 3/32340 660.0 1.077 0.971 0.852 0.000 0.000 0.000 3/32340 670.0 1.061 0.956 0.839 0.000 0.000 0.000 3/32340 680.0 1.045 0.942 0.826 0.000 0.000 0.000 3/32340 690.0 1.031 0.929 0.814 0.000 0.000 0.000 3/32340 700.0 1.016 0.916 0.803 0.000 0.000 0.000 3/32340 710.0 1.002 0.903 0.791 0.000 0.000 0.000 3/32340 720.0 0.988 0.891 0.780 0.000 0.000 0.000 3/32340 730.0 0.975 0.878 0.770 0.000 0.000 0.000 3/32340 740.0 0.962 0.867 0.759 0.000 0.000 0.000 3/32340 750.0 0.949 0.855 0.749 0.000 0.000 0.000 3/32340 760.0 0.937 0.844 0.739 0.000 0.000 0.000 3/32340 770.0 0.925 0.833 0.730 0.000 0.000 0.000 3/32340 780.0 0.913 0.823 0.720 0.000 0.000 0.000 3/32340 790.0 0.902 0.812 0.711 0.000 0.000 0.000 3/32340 800.0 0.891 0.802 0.702 0.000 0.000 0.000 3/32340 810.0 0.880 0.792 0.694 0.000 0.000 0.000 3/32340 820.0 0.869 0.783 0.685 0.000 0.000 0.000 3/32340 830.0 0.859 0.773 0.677 0.000 0.000 0.000 3/32340 840.0 0.849 0.764 0.669 0.000 0.000 0.000 3/32340 850.0 0.839 0.755 0.661 0.000 0.000 0.000 3/32340 860.0 0.829 0.747 0.653 0.000 0.000 0.000 3/32340 870.0 0.820 0.738 0.646 0.000 0.000 0.000 3/32340 880.0 0.811 0.730 0.638 0.000 0.000 0.000 3/32340 890.0 0.802 0.722 0.631 0.000 0.000 0.000 3/32340 900.0 0.793 0.714 0.624 0.000 0.000 0.000 3/32340 910.0 0.784 0.706 0.617 0.000 0.000 0.000 3/32340 920.0 0.776 0.698 0.611 0.000 0.000 0.000 3/32340 930.0 0.767 0.691 0.604 0.000 0.000 0.000 3/32340 940.0 0.759 0.684 0.598 0.000 0.000 0.000 3/32340 950.0 0.751 0.676 0.591 0.000 0.000 0.000 3/32340 960.0 0.744 0.669 0.585 0.000 0.000 0.000 3/32340 970.0 0.736 0.663 0.579 0.000 0.000 0.000 3/32340 980.0 0.729 0.656 0.573 0.000 0.000 0.000 3/32340 990.0 0.721 0.649 0.567 0.000 0.000 0.000 3/32340 1000.0 0.714 0.643 0.562 0.000 0.000 0.000 3/32340 Thermal conductivity related properties were written into "kappa-m1770.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:55:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|