----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:59:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.381354149999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.128176059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.054049859999997 Atomic positions (fractional): *1 O 0.57965759092866 0.25000000000000 0.92363637823296 15.999 2 O 0.42034240907134 0.75000000000000 0.07636362176704 15.999 3 O 0.07965759092866 0.25000000000000 0.57636362176704 15.999 4 O 0.92034240907134 0.75000000000000 0.42363637823296 15.999 *5 O 0.47907685288662 0.25000000000000 0.28393869323512 15.999 6 O 0.52092314711338 0.75000000000000 0.71606130676488 15.999 7 O 0.97907685288662 0.25000000000000 0.21606130676488 15.999 8 O 0.02092314711338 0.75000000000000 0.78393869323512 15.999 *9 O 0.87512764740055 0.25000000000000 0.97624157909704 15.999 10 O 0.12487235259946 0.75000000000000 0.02375842090296 15.999 11 O 0.37512764740054 0.25000000000000 0.52375842090296 15.999 12 O 0.62487235259945 0.75000000000000 0.47624157909704 15.999 *13 O 0.70830535448924 0.75000000000000 0.17330828659691 15.999 14 O 0.29169464551076 0.25000000000000 0.82669171340309 15.999 15 O 0.20830535448924 0.75000000000000 0.32669171340309 15.999 16 O 0.79169464551076 0.25000000000000 0.67330828659691 15.999 *17 Ca 0.25526408202567 0.75000000000000 0.65270362535096 40.078 18 Ca 0.74473591797433 0.25000000000000 0.34729637464904 40.078 19 Ca 0.75526408202567 0.75000000000000 0.84729637464904 40.078 20 Ca 0.24473591797433 0.25000000000000 0.15270362535096 40.078 *21 Sc 0.57961989469364 0.25000000000000 0.60733332920442 44.956 22 Sc 0.42038010530636 0.75000000000000 0.39266667079558 44.956 23 Sc 0.07961989469364 0.25000000000000 0.89266667079558 44.956 24 Sc 0.92038010530636 0.75000000000000 0.10733332920442 44.956 *25 Sc 0.92832798259436 0.75000000000000 0.61190742755786 44.956 26 Sc 0.07167201740564 0.25000000000000 0.38809257244214 44.956 27 Sc 0.42832798259436 0.75000000000000 0.88809257244214 44.956 28 Sc 0.57167201740564 0.25000000000000 0.11190742755786 44.956 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.381354149999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.128176059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.054049859999997 Atomic positions (fractional): *1 O 0.57965759092866 0.25000000000000 0.92363637823296 15.999 > 1 2 O 0.42034240907134 0.75000000000000 0.07636362176704 15.999 > 2 3 O 0.07965759092866 0.25000000000000 0.57636362176704 15.999 > 3 4 O 0.92034240907134 0.75000000000000 0.42363637823296 15.999 > 4 *5 O 0.47907685288662 0.25000000000000 0.28393869323512 15.999 > 5 6 O 0.52092314711338 0.75000000000000 0.71606130676488 15.999 > 6 7 O 0.97907685288662 0.25000000000000 0.21606130676488 15.999 > 7 8 O 0.02092314711338 0.75000000000000 0.78393869323512 15.999 > 8 *9 O 0.87512764740055 0.25000000000000 0.97624157909704 15.999 > 9 10 O 0.12487235259946 0.75000000000000 0.02375842090296 15.999 > 10 11 O 0.37512764740054 0.25000000000000 0.52375842090296 15.999 > 11 12 O 0.62487235259945 0.75000000000000 0.47624157909704 15.999 > 12 *13 O 0.70830535448924 0.75000000000000 0.17330828659691 15.999 > 13 14 O 0.29169464551076 0.25000000000000 0.82669171340309 15.999 > 14 15 O 0.20830535448924 0.75000000000000 0.32669171340309 15.999 > 15 16 O 0.79169464551076 0.25000000000000 0.67330828659691 15.999 > 16 *17 Ca 0.25526408202567 0.75000000000000 0.65270362535096 40.078 > 17 18 Ca 0.74473591797433 0.25000000000000 0.34729637464904 40.078 > 18 19 Ca 0.75526408202567 0.75000000000000 0.84729637464904 40.078 > 19 20 Ca 0.24473591797433 0.25000000000000 0.15270362535096 40.078 > 20 *21 Sc 0.57961989469364 0.25000000000000 0.60733332920442 44.956 > 21 22 Sc 0.42038010530636 0.75000000000000 0.39266667079558 44.956 > 22 23 Sc 0.07961989469364 0.25000000000000 0.89266667079558 44.956 > 23 24 Sc 0.92038010530636 0.75000000000000 0.10733332920442 44.956 > 24 *25 Sc 0.92832798259436 0.75000000000000 0.61190742755786 44.956 > 25 26 Sc 0.07167201740564 0.25000000000000 0.38809257244214 44.956 > 26 27 Sc 0.42832798259436 0.75000000000000 0.88809257244214 44.956 > 27 28 Sc 0.57167201740564 0.25000000000000 0.11190742755786 44.956 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.381354149999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.384528179999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.054049859999997 Atomic positions (fractional): *1 O 0.57965759092866 0.08333333333333 0.92363637823296 15.999 > 1 2 O 0.57965759092866 0.41666666666667 0.92363637823296 15.999 > 1 3 O 0.57965759092866 0.75000000000000 0.92363637823296 15.999 > 1 4 O 0.42034240907134 0.25000000000000 0.07636362176704 15.999 > 2 5 O 0.42034240907134 0.58333333333333 0.07636362176704 15.999 > 2 6 O 0.42034240907134 0.91666666666667 0.07636362176704 15.999 > 2 7 O 0.07965759092866 0.08333333333333 0.57636362176704 15.999 > 3 8 O 0.07965759092866 0.41666666666667 0.57636362176704 15.999 > 3 9 O 0.07965759092866 0.75000000000000 0.57636362176704 15.999 > 3 10 O 0.92034240907134 0.25000000000000 0.42363637823296 15.999 > 4 11 O 0.92034240907134 0.58333333333333 0.42363637823296 15.999 > 4 12 O 0.92034240907134 0.91666666666667 0.42363637823296 15.999 > 4 *13 O 0.47907685288662 0.08333333333333 0.28393869323512 15.999 > 5 14 O 0.47907685288662 0.41666666666667 0.28393869323512 15.999 > 5 15 O 0.47907685288662 0.75000000000000 0.28393869323512 15.999 > 5 16 O 0.52092314711338 0.25000000000000 0.71606130676488 15.999 > 6 17 O 0.52092314711338 0.58333333333333 0.71606130676488 15.999 > 6 18 O 0.52092314711338 0.91666666666667 0.71606130676488 15.999 > 6 19 O 0.97907685288662 0.08333333333333 0.21606130676488 15.999 > 7 20 O 0.97907685288662 0.41666666666667 0.21606130676488 15.999 > 7 21 O 0.97907685288662 0.75000000000000 0.21606130676488 15.999 > 7 22 O 0.02092314711338 0.25000000000000 0.78393869323512 15.999 > 8 23 O 0.02092314711338 0.58333333333333 0.78393869323512 15.999 > 8 24 O 0.02092314711338 0.91666666666667 0.78393869323512 15.999 > 8 *25 O 0.87512764740055 0.08333333333333 0.97624157909704 15.999 > 9 26 O 0.87512764740055 0.41666666666667 0.97624157909704 15.999 > 9 27 O 0.87512764740055 0.75000000000000 0.97624157909704 15.999 > 9 28 O 0.12487235259946 0.25000000000000 0.02375842090296 15.999 > 10 29 O 0.12487235259946 0.58333333333333 0.02375842090296 15.999 > 10 30 O 0.12487235259946 0.91666666666667 0.02375842090296 15.999 > 10 31 O 0.37512764740054 0.08333333333333 0.52375842090296 15.999 > 11 32 O 0.37512764740054 0.41666666666667 0.52375842090296 15.999 > 11 33 O 0.37512764740054 0.75000000000000 0.52375842090296 15.999 > 11 34 O 0.62487235259945 0.25000000000000 0.47624157909704 15.999 > 12 35 O 0.62487235259945 0.58333333333333 0.47624157909704 15.999 > 12 36 O 0.62487235259945 0.91666666666667 0.47624157909704 15.999 > 12 *37 O 0.70830535448924 0.25000000000000 0.17330828659691 15.999 > 13 38 O 0.70830535448924 0.58333333333333 0.17330828659691 15.999 > 13 39 O 0.70830535448924 0.91666666666667 0.17330828659691 15.999 > 13 40 O 0.29169464551076 0.08333333333333 0.82669171340309 15.999 > 14 41 O 0.29169464551076 0.41666666666667 0.82669171340309 15.999 > 14 42 O 0.29169464551076 0.75000000000000 0.82669171340309 15.999 > 14 43 O 0.20830535448924 0.25000000000000 0.32669171340309 15.999 > 15 44 O 0.20830535448924 0.58333333333333 0.32669171340309 15.999 > 15 45 O 0.20830535448924 0.91666666666667 0.32669171340309 15.999 > 15 46 O 0.79169464551076 0.08333333333333 0.67330828659691 15.999 > 16 47 O 0.79169464551076 0.41666666666667 0.67330828659691 15.999 > 16 48 O 0.79169464551076 0.75000000000000 0.67330828659691 15.999 > 16 *49 Ca 0.25526408202567 0.25000000000000 0.65270362535096 40.078 > 17 50 Ca 0.25526408202567 0.58333333333333 0.65270362535096 40.078 > 17 51 Ca 0.25526408202567 0.91666666666667 0.65270362535096 40.078 > 17 52 Ca 0.74473591797433 0.08333333333333 0.34729637464904 40.078 > 18 53 Ca 0.74473591797433 0.41666666666667 0.34729637464904 40.078 > 18 54 Ca 0.74473591797433 0.75000000000000 0.34729637464904 40.078 > 18 55 Ca 0.75526408202567 0.25000000000000 0.84729637464904 40.078 > 19 56 Ca 0.75526408202567 0.58333333333333 0.84729637464904 40.078 > 19 57 Ca 0.75526408202567 0.91666666666667 0.84729637464904 40.078 > 19 58 Ca 0.24473591797433 0.08333333333333 0.15270362535096 40.078 > 20 59 Ca 0.24473591797433 0.41666666666667 0.15270362535096 40.078 > 20 60 Ca 0.24473591797433 0.75000000000000 0.15270362535096 40.078 > 20 *61 Sc 0.57961989469364 0.08333333333333 0.60733332920442 44.956 > 21 62 Sc 0.57961989469364 0.41666666666667 0.60733332920442 44.956 > 21 63 Sc 0.57961989469364 0.75000000000000 0.60733332920442 44.956 > 21 64 Sc 0.42038010530636 0.25000000000000 0.39266667079558 44.956 > 22 65 Sc 0.42038010530636 0.58333333333333 0.39266667079558 44.956 > 22 66 Sc 0.42038010530636 0.91666666666667 0.39266667079558 44.956 > 22 67 Sc 0.07961989469364 0.08333333333333 0.89266667079558 44.956 > 23 68 Sc 0.07961989469364 0.41666666666667 0.89266667079558 44.956 > 23 69 Sc 0.07961989469364 0.75000000000000 0.89266667079558 44.956 > 23 70 Sc 0.92038010530636 0.25000000000000 0.10733332920442 44.956 > 24 71 Sc 0.92038010530636 0.58333333333333 0.10733332920442 44.956 > 24 72 Sc 0.92038010530636 0.91666666666667 0.10733332920442 44.956 > 24 *73 Sc 0.92832798259436 0.25000000000000 0.61190742755786 44.956 > 25 74 Sc 0.92832798259436 0.58333333333333 0.61190742755786 44.956 > 25 75 Sc 0.92832798259436 0.91666666666667 0.61190742755786 44.956 > 25 76 Sc 0.07167201740564 0.08333333333333 0.38809257244214 44.956 > 26 77 Sc 0.07167201740564 0.41666666666667 0.38809257244214 44.956 > 26 78 Sc 0.07167201740564 0.75000000000000 0.38809257244214 44.956 > 26 79 Sc 0.42832798259436 0.25000000000000 0.88809257244214 44.956 > 27 80 Sc 0.42832798259436 0.58333333333333 0.88809257244214 44.956 > 27 81 Sc 0.42832798259436 0.91666666666667 0.88809257244214 44.956 > 27 82 Sc 0.57167201740564 0.08333333333333 0.11190742755786 44.956 > 28 83 Sc 0.57167201740564 0.41666666666667 0.11190742755786 44.956 > 28 84 Sc 0.57167201740564 0.75000000000000 0.11190742755786 44.956 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4468836 0.0000000 0.0000000 0.0000000 4.8125970 0.0000000 0.0000000 0.0000000 4.6691730 -------------------------- Born effective charges -------------------------- 1 O -2.2988771 0.0000000 0.0068130 0.0000000 -2.6802905 0.0000000 -0.1139447 0.0000000 -2.5052643 2 O -2.2988771 0.0000000 0.0068130 0.0000000 -2.6802905 0.0000000 -0.1139447 0.0000000 -2.5052643 3 O -2.2988771 0.0000000 -0.0068130 0.0000000 -2.6802905 0.0000000 0.1139447 0.0000000 -2.5052643 4 O -2.2988771 0.0000000 -0.0068130 0.0000000 -2.6802905 0.0000000 0.1139447 0.0000000 -2.5052643 5 O -1.9180795 0.0000000 0.4586016 0.0000000 -2.6854686 0.0000000 0.6334641 0.0000000 -3.1857997 6 O -1.9180795 0.0000000 0.4586016 0.0000000 -2.6854686 0.0000000 0.6334641 0.0000000 -3.1857997 7 O -1.9180795 0.0000000 -0.4586016 0.0000000 -2.6854686 0.0000000 -0.6334641 0.0000000 -3.1857997 8 O -1.9180795 0.0000000 -0.4586016 0.0000000 -2.6854686 0.0000000 -0.6334641 0.0000000 -3.1857997 9 O -2.3222409 0.0000000 -0.0066533 0.0000000 -2.6444430 0.0000000 0.0711400 0.0000000 -2.5093558 10 O -2.3222409 0.0000000 -0.0066533 0.0000000 -2.6444430 0.0000000 0.0711400 0.0000000 -2.5093558 11 O -2.3222409 0.0000000 0.0066533 0.0000000 -2.6444430 0.0000000 -0.0711400 0.0000000 -2.5093558 12 O -2.3222409 0.0000000 0.0066533 0.0000000 -2.6444430 0.0000000 -0.0711400 0.0000000 -2.5093558 13 O -2.9870544 0.0000000 -0.0319216 0.0000000 -2.6966114 0.0000000 -0.0910830 0.0000000 -2.0208120 14 O -2.9870544 0.0000000 -0.0319216 0.0000000 -2.6966114 0.0000000 -0.0910830 0.0000000 -2.0208120 15 O -2.9870544 0.0000000 0.0319216 0.0000000 -2.6966114 0.0000000 0.0910830 0.0000000 -2.0208120 16 O -2.9870544 0.0000000 0.0319216 0.0000000 -2.6966114 0.0000000 0.0910830 0.0000000 -2.0208120 17 Ca 2.6409975 0.0000000 -0.0424422 0.0000000 2.3256800 0.0000000 -0.0705508 0.0000000 2.4939315 18 Ca 2.6409975 0.0000000 -0.0424422 0.0000000 2.3256800 0.0000000 -0.0705508 0.0000000 2.4939315 19 Ca 2.6409975 0.0000000 0.0424422 0.0000000 2.3256800 0.0000000 0.0705508 0.0000000 2.4939315 20 Ca 2.6409975 0.0000000 0.0424422 0.0000000 2.3256800 0.0000000 0.0705508 0.0000000 2.4939315 21 Sc 3.5033920 0.0000000 0.3374597 0.0000000 4.3164793 0.0000000 0.1731547 0.0000000 3.5910665 22 Sc 3.5033920 0.0000000 0.3374597 0.0000000 4.3164793 0.0000000 0.1731547 0.0000000 3.5910665 23 Sc 3.5033920 0.0000000 -0.3374597 0.0000000 4.3164793 0.0000000 -0.1731547 0.0000000 3.5910665 24 Sc 3.5033920 0.0000000 -0.3374597 0.0000000 4.3164793 0.0000000 -0.1731547 0.0000000 3.5910665 25 Sc 3.3818622 0.0000000 -0.1694619 0.0000000 4.0646542 0.0000000 -0.0569115 0.0000000 4.1362337 26 Sc 3.3818622 0.0000000 -0.1694619 0.0000000 4.0646542 0.0000000 -0.0569115 0.0000000 4.1362337 27 Sc 3.3818622 0.0000000 0.1694619 0.0000000 4.0646542 0.0000000 0.0569115 0.0000000 4.1362337 28 Sc 3.3818622 0.0000000 0.1694619 0.0000000 4.0646542 0.0000000 0.0569115 0.0000000 4.1362337 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.450 Solver_block: 200 / 480 - Time: 1.420 Solver_block: 300 / 480 - Time: 1.423 Solver_block: 400 / 480 - Time: 1.419 Solver_block: 480 / 480 - Time: 1.172 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.917 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), 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 2026-01-07 19:59:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:59:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.381354149999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.128176059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.054049859999997 Atomic positions (fractional): 1 O 0.57965759092866 0.25000000000000 0.92363637823296 15.999 2 O 0.42034240907134 0.75000000000000 0.07636362176704 15.999 3 O 0.07965759092866 0.25000000000000 0.57636362176704 15.999 4 O 0.92034240907134 0.75000000000000 0.42363637823296 15.999 5 O 0.47907685288662 0.25000000000000 0.28393869323512 15.999 6 O 0.52092314711338 0.75000000000000 0.71606130676488 15.999 7 O 0.97907685288662 0.25000000000000 0.21606130676488 15.999 8 O 0.02092314711338 0.75000000000000 0.78393869323512 15.999 9 O 0.87512764740055 0.25000000000000 0.97624157909704 15.999 10 O 0.12487235259946 0.75000000000000 0.02375842090296 15.999 11 O 0.37512764740054 0.25000000000000 0.52375842090296 15.999 12 O 0.62487235259945 0.75000000000000 0.47624157909704 15.999 13 O 0.70830535448924 0.75000000000000 0.17330828659691 15.999 14 O 0.29169464551076 0.25000000000000 0.82669171340309 15.999 15 O 0.20830535448924 0.75000000000000 0.32669171340309 15.999 16 O 0.79169464551076 0.25000000000000 0.67330828659691 15.999 17 Ca 0.25526408202567 0.75000000000000 0.65270362535096 40.078 18 Ca 0.74473591797433 0.25000000000000 0.34729637464904 40.078 19 Ca 0.75526408202567 0.75000000000000 0.84729637464904 40.078 20 Ca 0.24473591797433 0.25000000000000 0.15270362535096 40.078 21 Sc 0.57961989469364 0.25000000000000 0.60733332920442 44.956 22 Sc 0.42038010530636 0.75000000000000 0.39266667079558 44.956 23 Sc 0.07961989469364 0.25000000000000 0.89266667079558 44.956 24 Sc 0.92038010530636 0.75000000000000 0.10733332920442 44.956 25 Sc 0.92832798259436 0.75000000000000 0.61190742755786 44.956 26 Sc 0.07167201740564 0.25000000000000 0.38809257244214 44.956 27 Sc 0.42832798259436 0.75000000000000 0.88809257244214 44.956 28 Sc 0.57167201740564 0.25000000000000 0.11190742755786 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.381354149999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.384528179999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.054049859999997 Atomic positions (fractional): 1 O 0.57965759092866 0.08333333333333 0.92363637823296 15.999 > 1 2 O 0.57965759092866 0.41666666666667 0.92363637823296 15.999 > 1 3 O 0.57965759092866 0.75000000000000 0.92363637823296 15.999 > 1 4 O 0.42034240907134 0.25000000000000 0.07636362176704 15.999 > 4 5 O 0.42034240907134 0.58333333333333 0.07636362176704 15.999 > 4 6 O 0.42034240907134 0.91666666666667 0.07636362176704 15.999 > 4 7 O 0.07965759092866 0.08333333333333 0.57636362176704 15.999 > 7 8 O 0.07965759092866 0.41666666666667 0.57636362176704 15.999 > 7 9 O 0.07965759092866 0.75000000000000 0.57636362176704 15.999 > 7 10 O 0.92034240907134 0.25000000000000 0.42363637823296 15.999 > 10 11 O 0.92034240907134 0.58333333333333 0.42363637823296 15.999 > 10 12 O 0.92034240907134 0.91666666666667 0.42363637823296 15.999 > 10 13 O 0.47907685288662 0.08333333333333 0.28393869323512 15.999 > 13 14 O 0.47907685288662 0.41666666666667 0.28393869323512 15.999 > 13 15 O 0.47907685288662 0.75000000000000 0.28393869323512 15.999 > 13 16 O 0.52092314711338 0.25000000000000 0.71606130676488 15.999 > 16 17 O 0.52092314711338 0.58333333333333 0.71606130676488 15.999 > 16 18 O 0.52092314711338 0.91666666666667 0.71606130676488 15.999 > 16 19 O 0.97907685288662 0.08333333333333 0.21606130676488 15.999 > 19 20 O 0.97907685288662 0.41666666666667 0.21606130676488 15.999 > 19 21 O 0.97907685288662 0.75000000000000 0.21606130676488 15.999 > 19 22 O 0.02092314711338 0.25000000000000 0.78393869323512 15.999 > 22 23 O 0.02092314711338 0.58333333333333 0.78393869323512 15.999 > 22 24 O 0.02092314711338 0.91666666666667 0.78393869323512 15.999 > 22 25 O 0.87512764740055 0.08333333333333 0.97624157909704 15.999 > 25 26 O 0.87512764740055 0.41666666666667 0.97624157909704 15.999 > 25 27 O 0.87512764740055 0.75000000000000 0.97624157909704 15.999 > 25 28 O 0.12487235259946 0.25000000000000 0.02375842090296 15.999 > 28 29 O 0.12487235259946 0.58333333333333 0.02375842090296 15.999 > 28 30 O 0.12487235259946 0.91666666666667 0.02375842090296 15.999 > 28 31 O 0.37512764740054 0.08333333333333 0.52375842090296 15.999 > 31 32 O 0.37512764740054 0.41666666666667 0.52375842090296 15.999 > 31 33 O 0.37512764740054 0.75000000000000 0.52375842090296 15.999 > 31 34 O 0.62487235259945 0.25000000000000 0.47624157909704 15.999 > 34 35 O 0.62487235259945 0.58333333333333 0.47624157909704 15.999 > 34 36 O 0.62487235259945 0.91666666666667 0.47624157909704 15.999 > 34 37 O 0.70830535448924 0.25000000000000 0.17330828659691 15.999 > 37 38 O 0.70830535448924 0.58333333333333 0.17330828659691 15.999 > 37 39 O 0.70830535448924 0.91666666666667 0.17330828659691 15.999 > 37 40 O 0.29169464551076 0.08333333333333 0.82669171340309 15.999 > 40 41 O 0.29169464551076 0.41666666666667 0.82669171340309 15.999 > 40 42 O 0.29169464551076 0.75000000000000 0.82669171340309 15.999 > 40 43 O 0.20830535448924 0.25000000000000 0.32669171340309 15.999 > 43 44 O 0.20830535448924 0.58333333333333 0.32669171340309 15.999 > 43 45 O 0.20830535448924 0.91666666666667 0.32669171340309 15.999 > 43 46 O 0.79169464551076 0.08333333333333 0.67330828659691 15.999 > 46 47 O 0.79169464551076 0.41666666666667 0.67330828659691 15.999 > 46 48 O 0.79169464551076 0.75000000000000 0.67330828659691 15.999 > 46 49 Ca 0.25526408202567 0.25000000000000 0.65270362535096 40.078 > 49 50 Ca 0.25526408202567 0.58333333333333 0.65270362535096 40.078 > 49 51 Ca 0.25526408202567 0.91666666666667 0.65270362535096 40.078 > 49 52 Ca 0.74473591797433 0.08333333333333 0.34729637464904 40.078 > 52 53 Ca 0.74473591797433 0.41666666666667 0.34729637464904 40.078 > 52 54 Ca 0.74473591797433 0.75000000000000 0.34729637464904 40.078 > 52 55 Ca 0.75526408202567 0.25000000000000 0.84729637464904 40.078 > 55 56 Ca 0.75526408202567 0.58333333333333 0.84729637464904 40.078 > 55 57 Ca 0.75526408202567 0.91666666666667 0.84729637464904 40.078 > 55 58 Ca 0.24473591797433 0.08333333333333 0.15270362535096 40.078 > 58 59 Ca 0.24473591797433 0.41666666666667 0.15270362535096 40.078 > 58 60 Ca 0.24473591797433 0.75000000000000 0.15270362535096 40.078 > 58 61 Sc 0.57961989469364 0.08333333333333 0.60733332920442 44.956 > 61 62 Sc 0.57961989469364 0.41666666666667 0.60733332920442 44.956 > 61 63 Sc 0.57961989469364 0.75000000000000 0.60733332920442 44.956 > 61 64 Sc 0.42038010530636 0.25000000000000 0.39266667079558 44.956 > 64 65 Sc 0.42038010530636 0.58333333333333 0.39266667079558 44.956 > 64 66 Sc 0.42038010530636 0.91666666666667 0.39266667079558 44.956 > 64 67 Sc 0.07961989469364 0.08333333333333 0.89266667079558 44.956 > 67 68 Sc 0.07961989469364 0.41666666666667 0.89266667079558 44.956 > 67 69 Sc 0.07961989469364 0.75000000000000 0.89266667079558 44.956 > 67 70 Sc 0.92038010530636 0.25000000000000 0.10733332920442 44.956 > 70 71 Sc 0.92038010530636 0.58333333333333 0.10733332920442 44.956 > 70 72 Sc 0.92038010530636 0.91666666666667 0.10733332920442 44.956 > 70 73 Sc 0.92832798259436 0.25000000000000 0.61190742755786 44.956 > 73 74 Sc 0.92832798259436 0.58333333333333 0.61190742755786 44.956 > 73 75 Sc 0.92832798259436 0.91666666666667 0.61190742755786 44.956 > 73 76 Sc 0.07167201740564 0.08333333333333 0.38809257244214 44.956 > 76 77 Sc 0.07167201740564 0.41666666666667 0.38809257244214 44.956 > 76 78 Sc 0.07167201740564 0.75000000000000 0.38809257244214 44.956 > 76 79 Sc 0.42832798259436 0.25000000000000 0.88809257244214 44.956 > 79 80 Sc 0.42832798259436 0.58333333333333 0.88809257244214 44.956 > 79 81 Sc 0.42832798259436 0.91666666666667 0.88809257244214 44.956 > 79 82 Sc 0.57167201740564 0.08333333333333 0.11190742755786 44.956 > 82 83 Sc 0.57167201740564 0.41666666666667 0.11190742755786 44.956 > 82 84 Sc 0.57167201740564 0.75000000000000 0.11190742755786 44.956 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4468836 0.0000000 0.0000000 0.0000000 4.8125970 0.0000000 0.0000000 0.0000000 4.6691730 -------------------------- Born effective charges -------------------------- 1 O -2.2988771 0.0000000 0.0068130 0.0000000 -2.6802905 0.0000000 -0.1139447 0.0000000 -2.5052643 2 O -2.2988771 0.0000000 0.0068130 0.0000000 -2.6802905 0.0000000 -0.1139447 0.0000000 -2.5052643 3 O -2.2988771 0.0000000 -0.0068130 0.0000000 -2.6802905 0.0000000 0.1139447 0.0000000 -2.5052643 4 O -2.2988771 0.0000000 -0.0068130 0.0000000 -2.6802905 0.0000000 0.1139447 0.0000000 -2.5052643 5 O -1.9180795 0.0000000 0.4586016 0.0000000 -2.6854686 0.0000000 0.6334641 0.0000000 -3.1857997 6 O -1.9180795 0.0000000 0.4586016 0.0000000 -2.6854686 0.0000000 0.6334641 0.0000000 -3.1857997 7 O -1.9180795 0.0000000 -0.4586016 0.0000000 -2.6854686 0.0000000 -0.6334641 0.0000000 -3.1857997 8 O -1.9180795 0.0000000 -0.4586016 0.0000000 -2.6854686 0.0000000 -0.6334641 0.0000000 -3.1857997 9 O -2.3222409 0.0000000 -0.0066533 0.0000000 -2.6444430 0.0000000 0.0711400 0.0000000 -2.5093558 10 O -2.3222409 0.0000000 -0.0066533 0.0000000 -2.6444430 0.0000000 0.0711400 0.0000000 -2.5093558 11 O -2.3222409 0.0000000 0.0066533 0.0000000 -2.6444430 0.0000000 -0.0711400 0.0000000 -2.5093558 12 O -2.3222409 0.0000000 0.0066533 0.0000000 -2.6444430 0.0000000 -0.0711400 0.0000000 -2.5093558 13 O -2.9870544 0.0000000 -0.0319216 0.0000000 -2.6966114 0.0000000 -0.0910830 0.0000000 -2.0208120 14 O -2.9870544 0.0000000 -0.0319216 0.0000000 -2.6966114 0.0000000 -0.0910830 0.0000000 -2.0208120 15 O -2.9870544 0.0000000 0.0319216 0.0000000 -2.6966114 0.0000000 0.0910830 0.0000000 -2.0208120 16 O -2.9870544 0.0000000 0.0319216 0.0000000 -2.6966114 0.0000000 0.0910830 0.0000000 -2.0208120 17 Ca 2.6409975 0.0000000 -0.0424422 0.0000000 2.3256800 0.0000000 -0.0705508 0.0000000 2.4939315 18 Ca 2.6409975 0.0000000 -0.0424422 0.0000000 2.3256800 0.0000000 -0.0705508 0.0000000 2.4939315 19 Ca 2.6409975 0.0000000 0.0424422 0.0000000 2.3256800 0.0000000 0.0705508 0.0000000 2.4939315 20 Ca 2.6409975 0.0000000 0.0424422 0.0000000 2.3256800 0.0000000 0.0705508 0.0000000 2.4939315 21 Sc 3.5033920 0.0000000 0.3374597 0.0000000 4.3164793 0.0000000 0.1731547 0.0000000 3.5910665 22 Sc 3.5033920 0.0000000 0.3374597 0.0000000 4.3164793 0.0000000 0.1731547 0.0000000 3.5910665 23 Sc 3.5033920 0.0000000 -0.3374597 0.0000000 4.3164793 0.0000000 -0.1731547 0.0000000 3.5910665 24 Sc 3.5033920 0.0000000 -0.3374597 0.0000000 4.3164793 0.0000000 -0.1731547 0.0000000 3.5910665 25 Sc 3.3818622 0.0000000 -0.1694619 0.0000000 4.0646542 0.0000000 -0.0569115 0.0000000 4.1362337 26 Sc 3.3818622 0.0000000 -0.1694619 0.0000000 4.0646542 0.0000000 -0.0569115 0.0000000 4.1362337 27 Sc 3.3818622 0.0000000 0.1694619 0.0000000 4.0646542 0.0000000 0.0569115 0.0000000 4.1362337 28 Sc 3.3818622 0.0000000 0.1694619 0.0000000 4.0646542 0.0000000 0.0569115 0.0000000 4.1362337 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:00:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:00:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.381354149999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.128176059999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.054049859999997 Atomic positions (fractional): 1 O 0.57965759092866 0.25000000000000 0.92363637823296 15.999 2 O 0.42034240907134 0.75000000000000 0.07636362176704 15.999 3 O 0.07965759092866 0.25000000000000 0.57636362176704 15.999 4 O 0.92034240907134 0.75000000000000 0.42363637823296 15.999 5 O 0.47907685288662 0.25000000000000 0.28393869323512 15.999 6 O 0.52092314711338 0.75000000000000 0.71606130676488 15.999 7 O 0.97907685288662 0.25000000000000 0.21606130676488 15.999 8 O 0.02092314711338 0.75000000000000 0.78393869323512 15.999 9 O 0.87512764740055 0.25000000000000 0.97624157909704 15.999 10 O 0.12487235259946 0.75000000000000 0.02375842090296 15.999 11 O 0.37512764740054 0.25000000000000 0.52375842090296 15.999 12 O 0.62487235259945 0.75000000000000 0.47624157909704 15.999 13 O 0.70830535448924 0.75000000000000 0.17330828659691 15.999 14 O 0.29169464551076 0.25000000000000 0.82669171340309 15.999 15 O 0.20830535448924 0.75000000000000 0.32669171340309 15.999 16 O 0.79169464551076 0.25000000000000 0.67330828659691 15.999 17 Ca 0.25526408202567 0.75000000000000 0.65270362535096 40.078 18 Ca 0.74473591797433 0.25000000000000 0.34729637464904 40.078 19 Ca 0.75526408202567 0.75000000000000 0.84729637464904 40.078 20 Ca 0.24473591797433 0.25000000000000 0.15270362535096 40.078 21 Sc 0.57961989469364 0.25000000000000 0.60733332920442 44.956 22 Sc 0.42038010530636 0.75000000000000 0.39266667079558 44.956 23 Sc 0.07961989469364 0.25000000000000 0.89266667079558 44.956 24 Sc 0.92038010530636 0.75000000000000 0.10733332920442 44.956 25 Sc 0.92832798259436 0.75000000000000 0.61190742755786 44.956 26 Sc 0.07167201740564 0.25000000000000 0.38809257244214 44.956 27 Sc 0.42832798259436 0.75000000000000 0.88809257244214 44.956 28 Sc 0.57167201740564 0.25000000000000 0.11190742755786 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.381354149999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.384528179999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.054049859999997 Atomic positions (fractional): 1 O 0.57965759092866 0.08333333333333 0.92363637823296 15.999 > 1 2 O 0.57965759092866 0.41666666666667 0.92363637823296 15.999 > 1 3 O 0.57965759092866 0.75000000000000 0.92363637823296 15.999 > 1 4 O 0.42034240907134 0.25000000000000 0.07636362176704 15.999 > 4 5 O 0.42034240907134 0.58333333333333 0.07636362176704 15.999 > 4 6 O 0.42034240907134 0.91666666666667 0.07636362176704 15.999 > 4 7 O 0.07965759092866 0.08333333333333 0.57636362176704 15.999 > 7 8 O 0.07965759092866 0.41666666666667 0.57636362176704 15.999 > 7 9 O 0.07965759092866 0.75000000000000 0.57636362176704 15.999 > 7 10 O 0.92034240907134 0.25000000000000 0.42363637823296 15.999 > 10 11 O 0.92034240907134 0.58333333333333 0.42363637823296 15.999 > 10 12 O 0.92034240907134 0.91666666666667 0.42363637823296 15.999 > 10 13 O 0.47907685288662 0.08333333333333 0.28393869323512 15.999 > 13 14 O 0.47907685288662 0.41666666666667 0.28393869323512 15.999 > 13 15 O 0.47907685288662 0.75000000000000 0.28393869323512 15.999 > 13 16 O 0.52092314711338 0.25000000000000 0.71606130676488 15.999 > 16 17 O 0.52092314711338 0.58333333333333 0.71606130676488 15.999 > 16 18 O 0.52092314711338 0.91666666666667 0.71606130676488 15.999 > 16 19 O 0.97907685288662 0.08333333333333 0.21606130676488 15.999 > 19 20 O 0.97907685288662 0.41666666666667 0.21606130676488 15.999 > 19 21 O 0.97907685288662 0.75000000000000 0.21606130676488 15.999 > 19 22 O 0.02092314711338 0.25000000000000 0.78393869323512 15.999 > 22 23 O 0.02092314711338 0.58333333333333 0.78393869323512 15.999 > 22 24 O 0.02092314711338 0.91666666666667 0.78393869323512 15.999 > 22 25 O 0.87512764740055 0.08333333333333 0.97624157909704 15.999 > 25 26 O 0.87512764740055 0.41666666666667 0.97624157909704 15.999 > 25 27 O 0.87512764740055 0.75000000000000 0.97624157909704 15.999 > 25 28 O 0.12487235259946 0.25000000000000 0.02375842090296 15.999 > 28 29 O 0.12487235259946 0.58333333333333 0.02375842090296 15.999 > 28 30 O 0.12487235259946 0.91666666666667 0.02375842090296 15.999 > 28 31 O 0.37512764740054 0.08333333333333 0.52375842090296 15.999 > 31 32 O 0.37512764740054 0.41666666666667 0.52375842090296 15.999 > 31 33 O 0.37512764740054 0.75000000000000 0.52375842090296 15.999 > 31 34 O 0.62487235259945 0.25000000000000 0.47624157909704 15.999 > 34 35 O 0.62487235259945 0.58333333333333 0.47624157909704 15.999 > 34 36 O 0.62487235259945 0.91666666666667 0.47624157909704 15.999 > 34 37 O 0.70830535448924 0.25000000000000 0.17330828659691 15.999 > 37 38 O 0.70830535448924 0.58333333333333 0.17330828659691 15.999 > 37 39 O 0.70830535448924 0.91666666666667 0.17330828659691 15.999 > 37 40 O 0.29169464551076 0.08333333333333 0.82669171340309 15.999 > 40 41 O 0.29169464551076 0.41666666666667 0.82669171340309 15.999 > 40 42 O 0.29169464551076 0.75000000000000 0.82669171340309 15.999 > 40 43 O 0.20830535448924 0.25000000000000 0.32669171340309 15.999 > 43 44 O 0.20830535448924 0.58333333333333 0.32669171340309 15.999 > 43 45 O 0.20830535448924 0.91666666666667 0.32669171340309 15.999 > 43 46 O 0.79169464551076 0.08333333333333 0.67330828659691 15.999 > 46 47 O 0.79169464551076 0.41666666666667 0.67330828659691 15.999 > 46 48 O 0.79169464551076 0.75000000000000 0.67330828659691 15.999 > 46 49 Ca 0.25526408202567 0.25000000000000 0.65270362535096 40.078 > 49 50 Ca 0.25526408202567 0.58333333333333 0.65270362535096 40.078 > 49 51 Ca 0.25526408202567 0.91666666666667 0.65270362535096 40.078 > 49 52 Ca 0.74473591797433 0.08333333333333 0.34729637464904 40.078 > 52 53 Ca 0.74473591797433 0.41666666666667 0.34729637464904 40.078 > 52 54 Ca 0.74473591797433 0.75000000000000 0.34729637464904 40.078 > 52 55 Ca 0.75526408202567 0.25000000000000 0.84729637464904 40.078 > 55 56 Ca 0.75526408202567 0.58333333333333 0.84729637464904 40.078 > 55 57 Ca 0.75526408202567 0.91666666666667 0.84729637464904 40.078 > 55 58 Ca 0.24473591797433 0.08333333333333 0.15270362535096 40.078 > 58 59 Ca 0.24473591797433 0.41666666666667 0.15270362535096 40.078 > 58 60 Ca 0.24473591797433 0.75000000000000 0.15270362535096 40.078 > 58 61 Sc 0.57961989469364 0.08333333333333 0.60733332920442 44.956 > 61 62 Sc 0.57961989469364 0.41666666666667 0.60733332920442 44.956 > 61 63 Sc 0.57961989469364 0.75000000000000 0.60733332920442 44.956 > 61 64 Sc 0.42038010530636 0.25000000000000 0.39266667079558 44.956 > 64 65 Sc 0.42038010530636 0.58333333333333 0.39266667079558 44.956 > 64 66 Sc 0.42038010530636 0.91666666666667 0.39266667079558 44.956 > 64 67 Sc 0.07961989469364 0.08333333333333 0.89266667079558 44.956 > 67 68 Sc 0.07961989469364 0.41666666666667 0.89266667079558 44.956 > 67 69 Sc 0.07961989469364 0.75000000000000 0.89266667079558 44.956 > 67 70 Sc 0.92038010530636 0.25000000000000 0.10733332920442 44.956 > 70 71 Sc 0.92038010530636 0.58333333333333 0.10733332920442 44.956 > 70 72 Sc 0.92038010530636 0.91666666666667 0.10733332920442 44.956 > 70 73 Sc 0.92832798259436 0.25000000000000 0.61190742755786 44.956 > 73 74 Sc 0.92832798259436 0.58333333333333 0.61190742755786 44.956 > 73 75 Sc 0.92832798259436 0.91666666666667 0.61190742755786 44.956 > 73 76 Sc 0.07167201740564 0.08333333333333 0.38809257244214 44.956 > 76 77 Sc 0.07167201740564 0.41666666666667 0.38809257244214 44.956 > 76 78 Sc 0.07167201740564 0.75000000000000 0.38809257244214 44.956 > 76 79 Sc 0.42832798259436 0.25000000000000 0.88809257244214 44.956 > 79 80 Sc 0.42832798259436 0.58333333333333 0.88809257244214 44.956 > 79 81 Sc 0.42832798259436 0.91666666666667 0.88809257244214 44.956 > 79 82 Sc 0.57167201740564 0.08333333333333 0.11190742755786 44.956 > 82 83 Sc 0.57167201740564 0.41666666666667 0.11190742755786 44.956 > 82 84 Sc 0.57167201740564 0.75000000000000 0.11190742755786 44.956 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4468836 0.0000000 0.0000000 0.0000000 4.8125970 0.0000000 0.0000000 0.0000000 4.6691730 -------------------------- Born effective charges -------------------------- 1 O -2.2988771 0.0000000 0.0068130 0.0000000 -2.6802905 0.0000000 -0.1139447 0.0000000 -2.5052643 2 O -2.2988771 0.0000000 0.0068130 0.0000000 -2.6802905 0.0000000 -0.1139447 0.0000000 -2.5052643 3 O -2.2988771 0.0000000 -0.0068130 0.0000000 -2.6802905 0.0000000 0.1139447 0.0000000 -2.5052643 4 O -2.2988771 0.0000000 -0.0068130 0.0000000 -2.6802905 0.0000000 0.1139447 0.0000000 -2.5052643 5 O -1.9180795 0.0000000 0.4586016 0.0000000 -2.6854686 0.0000000 0.6334641 0.0000000 -3.1857997 6 O -1.9180795 0.0000000 0.4586016 0.0000000 -2.6854686 0.0000000 0.6334641 0.0000000 -3.1857997 7 O -1.9180795 0.0000000 -0.4586016 0.0000000 -2.6854686 0.0000000 -0.6334641 0.0000000 -3.1857997 8 O -1.9180795 0.0000000 -0.4586016 0.0000000 -2.6854686 0.0000000 -0.6334641 0.0000000 -3.1857997 9 O -2.3222409 0.0000000 -0.0066533 0.0000000 -2.6444430 0.0000000 0.0711400 0.0000000 -2.5093558 10 O -2.3222409 0.0000000 -0.0066533 0.0000000 -2.6444430 0.0000000 0.0711400 0.0000000 -2.5093558 11 O -2.3222409 0.0000000 0.0066533 0.0000000 -2.6444430 0.0000000 -0.0711400 0.0000000 -2.5093558 12 O -2.3222409 0.0000000 0.0066533 0.0000000 -2.6444430 0.0000000 -0.0711400 0.0000000 -2.5093558 13 O -2.9870544 0.0000000 -0.0319216 0.0000000 -2.6966114 0.0000000 -0.0910830 0.0000000 -2.0208120 14 O -2.9870544 0.0000000 -0.0319216 0.0000000 -2.6966114 0.0000000 -0.0910830 0.0000000 -2.0208120 15 O -2.9870544 0.0000000 0.0319216 0.0000000 -2.6966114 0.0000000 0.0910830 0.0000000 -2.0208120 16 O -2.9870544 0.0000000 0.0319216 0.0000000 -2.6966114 0.0000000 0.0910830 0.0000000 -2.0208120 17 Ca 2.6409975 0.0000000 -0.0424422 0.0000000 2.3256800 0.0000000 -0.0705508 0.0000000 2.4939315 18 Ca 2.6409975 0.0000000 -0.0424422 0.0000000 2.3256800 0.0000000 -0.0705508 0.0000000 2.4939315 19 Ca 2.6409975 0.0000000 0.0424422 0.0000000 2.3256800 0.0000000 0.0705508 0.0000000 2.4939315 20 Ca 2.6409975 0.0000000 0.0424422 0.0000000 2.3256800 0.0000000 0.0705508 0.0000000 2.4939315 21 Sc 3.5033920 0.0000000 0.3374597 0.0000000 4.3164793 0.0000000 0.1731547 0.0000000 3.5910665 22 Sc 3.5033920 0.0000000 0.3374597 0.0000000 4.3164793 0.0000000 0.1731547 0.0000000 3.5910665 23 Sc 3.5033920 0.0000000 -0.3374597 0.0000000 4.3164793 0.0000000 -0.1731547 0.0000000 3.5910665 24 Sc 3.5033920 0.0000000 -0.3374597 0.0000000 4.3164793 0.0000000 -0.1731547 0.0000000 3.5910665 25 Sc 3.3818622 0.0000000 -0.1694619 0.0000000 4.0646542 0.0000000 -0.0569115 0.0000000 4.1362337 26 Sc 3.3818622 0.0000000 -0.1694619 0.0000000 4.0646542 0.0000000 -0.0569115 0.0000000 4.1362337 27 Sc 3.3818622 0.0000000 0.1694619 0.0000000 4.0646542 0.0000000 0.0569115 0.0000000 4.1362337 28 Sc 3.3818622 0.0000000 0.1694619 0.0000000 4.0646542 0.0000000 0.0569115 0.0000000 4.1362337 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 16 5 ] 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: 0.60, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/81) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 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 3.061 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 8.151 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 8.678 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.212 ( 0.000 0.000 0.000) 0.000 9.236 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.509 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 10.353 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.565 ( 0.000 0.000 0.000) 0.000 10.594 ( 0.000 0.000 0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.689 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.207 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.481 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 11.931 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.546 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 13.233 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.271 ( 0.000 0.000 0.000) 0.000 13.277 ( 0.000 0.000 0.000) 0.000 13.328 ( 0.000 0.000 0.000) 0.000 13.722 ( 0.000 0.000 0.000) 0.000 13.926 ( 0.000 0.000 0.000) 0.000 13.957 ( 0.000 0.000 0.000) 0.000 14.487 ( 0.000 0.000 0.000) 0.000 14.696 ( 0.000 0.000 0.000) 0.000 15.943 ( 0.000 0.000 0.000) 0.000 16.435 ( 0.000 0.000 0.000) 0.000 16.456 ( 0.000 0.000 0.000) 0.000 16.738 ( 0.000 0.000 0.000) 0.000 17.903 ( 0.000 0.000 0.000) 0.000 18.223 ( 0.000 0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 19.266 ( 0.000 0.000 0.000) 0.000 19.686 ( 0.000 0.000 0.000) 0.000 19.767 ( 0.000 0.000 0.000) 0.000 20.385 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/81) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 41.315 0.000 0.000) 41.315 0.922 ( 42.622 0.000 0.000) 42.622 1.566 ( 72.872 0.000 0.000) 72.872 3.060 ( -20.761 0.000 0.000) 20.761 3.116 ( -10.756 0.000 0.000) 10.756 3.439 ( 3.258 0.000 0.000) 3.258 3.491 ( -10.304 0.000 0.000) 10.304 3.606 ( -4.679 0.000 0.000) 4.679 3.898 ( 1.640 0.000 0.000) 1.640 3.939 ( -5.386 0.000 0.000) 5.386 4.332 ( -1.177 0.000 0.000) 1.177 4.465 ( 3.375 0.000 0.000) 3.375 4.539 ( -4.113 0.000 0.000) 4.113 4.545 ( 2.506 0.000 0.000) 2.506 4.747 ( 4.902 0.000 0.000) 4.902 4.804 ( -11.292 0.000 0.000) 11.292 5.039 ( -0.967 0.000 0.000) 0.967 5.219 ( -2.951 0.000 0.000) 2.951 5.264 ( 11.747 0.000 0.000) 11.747 5.415 ( 3.320 0.000 0.000) 3.320 5.613 ( -5.618 0.000 0.000) 5.618 5.697 ( -2.745 0.000 0.000) 2.745 5.855 ( 14.034 0.000 0.000) 14.034 6.106 ( -3.169 0.000 0.000) 3.169 6.503 ( 12.596 0.000 0.000) 12.596 6.807 ( 12.452 0.000 0.000) 12.452 7.091 ( 0.623 0.000 0.000) 0.623 7.431 ( -4.333 0.000 0.000) 4.333 7.523 ( -12.073 0.000 0.000) 12.073 7.550 ( -9.712 0.000 0.000) 9.712 7.849 ( 2.719 0.000 0.000) 2.719 8.192 ( -17.034 0.000 0.000) 17.034 8.476 ( -17.752 0.000 0.000) 17.752 8.479 ( 9.240 0.000 0.000) 9.240 8.859 ( -6.481 0.000 0.000) 6.481 8.918 ( -0.601 0.000 0.000) 0.601 8.933 ( -0.965 0.000 0.000) 0.965 8.949 ( 13.786 0.000 0.000) 13.786 8.973 ( -5.787 0.000 0.000) 5.787 9.180 ( -1.829 0.000 0.000) 1.829 9.220 ( -2.335 0.000 0.000) 2.335 9.271 ( -2.259 0.000 0.000) 2.259 9.615 ( 8.500 0.000 0.000) 8.500 9.779 ( 7.032 0.000 0.000) 7.032 10.153 ( -15.726 0.000 0.000) 15.726 10.197 ( -27.548 0.000 0.000) 27.548 10.396 ( -10.171 0.000 0.000) 10.171 10.484 ( -9.075 0.000 0.000) 9.075 10.748 ( 5.551 0.000 0.000) 5.551 10.787 ( 4.189 0.000 0.000) 4.189 10.832 ( 16.567 0.000 0.000) 16.567 11.082 ( 6.486 0.000 0.000) 6.486 11.272 ( 7.583 0.000 0.000) 7.583 11.375 ( 9.735 0.000 0.000) 9.735 11.398 ( 3.981 0.000 0.000) 3.981 11.488 ( 0.628 0.000 0.000) 0.628 11.541 ( -0.510 0.000 0.000) 0.510 12.038 ( -1.088 0.000 0.000) 1.088 12.153 ( 17.723 0.000 0.000) 17.723 12.529 ( -1.839 0.000 0.000) 1.839 12.897 ( 3.944 0.000 0.000) 3.944 12.918 ( -1.840 0.000 0.000) 1.840 13.132 ( -12.327 0.000 0.000) 12.327 13.236 ( 0.284 0.000 0.000) 0.284 13.240 ( 0.391 0.000 0.000) 0.391 13.267 ( -0.380 0.000 0.000) 0.380 13.273 ( -0.337 0.000 0.000) 0.337 13.407 ( -0.934 0.000 0.000) 0.934 13.888 ( 9.896 0.000 0.000) 9.896 14.043 ( 6.413 0.000 0.000) 6.413 14.566 ( 6.552 0.000 0.000) 6.552 14.657 ( -2.487 0.000 0.000) 2.487 15.958 ( 1.712 0.000 0.000) 1.712 16.350 ( -7.223 0.000 0.000) 7.223 16.385 ( -4.124 0.000 0.000) 4.124 16.599 ( -11.080 0.000 0.000) 11.080 18.031 ( 10.512 0.000 0.000) 10.512 18.293 ( 5.950 0.000 0.000) 5.950 18.483 ( -1.088 0.000 0.000) 1.088 18.884 ( -8.161 0.000 0.000) 8.161 19.679 ( -0.649 0.000 0.000) 0.649 19.700 ( -2.488 0.000 0.000) 2.488 19.892 ( 6.035 0.000 0.000) 6.035 20.321 ( -5.558 0.000 0.000) 5.558 ======================= Grid point 2 (3/81) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 37.742 0.000 0.000) 37.742 1.803 ( 39.593 0.000 0.000) 39.593 2.490 ( -31.598 0.000 0.000) 31.598 2.589 ( -33.335 0.000 0.000) 33.335 3.062 ( 62.977 0.000 0.000) 62.977 3.514 ( 7.711 0.000 0.000) 7.711 3.521 ( -3.649 0.000 0.000) 3.649 3.532 ( 8.719 0.000 0.000) 8.719 3.717 ( -10.426 0.000 0.000) 10.426 4.046 ( 7.704 0.000 0.000) 7.704 4.217 ( -7.684 0.000 0.000) 7.684 4.406 ( -38.585 0.000 0.000) 38.585 4.505 ( 1.885 0.000 0.000) 1.885 4.531 ( 2.562 0.000 0.000) 2.562 4.568 ( -0.634 0.000 0.000) 0.634 4.707 ( -25.421 0.000 0.000) 25.421 4.889 ( 6.686 0.000 0.000) 6.686 4.997 ( -3.328 0.000 0.000) 3.328 5.488 ( 7.931 0.000 0.000) 7.931 5.507 ( 5.040 0.000 0.000) 5.040 5.573 ( 0.294 0.000 0.000) 0.294 5.615 ( -4.722 0.000 0.000) 4.722 6.158 ( 8.111 0.000 0.000) 8.111 6.176 ( 10.960 0.000 0.000) 10.960 6.968 ( 23.419 0.000 0.000) 23.419 7.023 ( -2.819 0.000 0.000) 2.819 7.153 ( -12.091 0.000 0.000) 12.091 7.183 ( 18.895 0.000 0.000) 18.895 7.368 ( -5.094 0.000 0.000) 5.094 7.497 ( -5.615 0.000 0.000) 5.615 7.729 ( -15.595 0.000 0.000) 15.595 7.921 ( -26.664 0.000 0.000) 26.664 8.092 ( 20.912 0.000 0.000) 20.912 8.608 ( -17.871 0.000 0.000) 17.871 8.849 ( 4.701 0.000 0.000) 4.701 8.877 ( 10.757 0.000 0.000) 10.757 8.907 ( -0.259 0.000 0.000) 0.259 8.912 ( -0.752 0.000 0.000) 0.752 9.043 ( -13.830 0.000 0.000) 13.830 9.093 ( -3.292 0.000 0.000) 3.292 9.159 ( -0.033 0.000 0.000) 0.033 9.176 ( -1.533 0.000 0.000) 1.533 9.822 ( 9.960 0.000 0.000) 9.960 9.867 ( -4.356 0.000 0.000) 4.356 9.890 ( -6.727 0.000 0.000) 6.727 9.928 ( 3.810 0.000 0.000) 3.810 10.202 ( -5.275 0.000 0.000) 5.275 10.283 ( -9.077 0.000 0.000) 9.077 10.832 ( 2.264 0.000 0.000) 2.264 10.844 ( 1.078 0.000 0.000) 1.078 11.118 ( 7.675 0.000 0.000) 7.675 11.170 ( 1.471 0.000 0.000) 1.471 11.475 ( 4.161 0.000 0.000) 4.161 11.502 ( 2.214 0.000 0.000) 2.214 11.506 ( 0.952 0.000 0.000) 0.952 11.526 ( -0.880 0.000 0.000) 0.880 11.530 ( 15.328 0.000 0.000) 15.328 11.876 ( -14.020 0.000 0.000) 14.020 12.468 ( 7.242 0.000 0.000) 7.242 12.503 ( 0.089 0.000 0.000) 0.089 12.906 ( 0.060 0.000 0.000) 0.060 12.936 ( -4.578 0.000 0.000) 4.578 13.059 ( 11.803 0.000 0.000) 11.803 13.244 ( 0.523 0.000 0.000) 0.523 13.251 ( 0.589 0.000 0.000) 0.589 13.257 ( -0.572 0.000 0.000) 0.572 13.263 ( -0.567 0.000 0.000) 0.567 13.313 ( -8.964 0.000 0.000) 8.964 14.055 ( 5.618 0.000 0.000) 5.618 14.125 ( -0.234 0.000 0.000) 0.234 14.662 ( 3.138 0.000 0.000) 3.138 14.688 ( 2.768 0.000 0.000) 2.768 16.030 ( 5.209 0.000 0.000) 5.209 16.175 ( -8.118 0.000 0.000) 8.118 16.303 ( -1.950 0.000 0.000) 1.950 16.368 ( -8.323 0.000 0.000) 8.323 18.276 ( 10.683 0.000 0.000) 10.683 18.432 ( -4.180 0.000 0.000) 4.180 18.450 ( 8.680 0.000 0.000) 8.680 18.669 ( -11.172 0.000 0.000) 11.172 19.665 ( -0.485 0.000 0.000) 0.485 19.666 ( -0.748 0.000 0.000) 0.748 20.026 ( 6.572 0.000 0.000) 6.572 20.176 ( -7.342 0.000 0.000) 7.342 ======================= Grid point 5 (4/81) ======================= q-point: ( 0.00 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.000 42.753 0.000) 42.753 0.949 ( 0.000 47.160 0.000) 47.160 1.798 ( 0.000 89.000 0.000) 89.000 3.160 ( 0.000 10.059 0.000) 10.059 3.437 ( 0.000 5.968 0.000) 5.968 3.543 ( 0.000 33.901 0.000) 33.901 3.698 ( 0.000 2.828 0.000) 2.828 4.031 ( 0.000 28.617 0.000) 28.617 4.072 ( 0.000 20.129 0.000) 20.129 4.337 ( 0.000 27.066 0.000) 27.066 4.426 ( 0.000 2.082 0.000) 2.082 4.431 ( 0.000 13.234 0.000) 13.234 4.737 ( 0.000 19.597 0.000) 19.597 4.828 ( 0.000 25.204 0.000) 25.204 4.883 ( 0.000 -0.252 0.000) 0.252 4.997 ( 0.000 26.141 0.000) 26.141 5.061 ( 0.000 -0.289 0.000) 0.289 5.206 ( 0.000 4.845 0.000) 4.845 5.320 ( 0.000 22.163 0.000) 22.163 5.615 ( 0.000 6.767 0.000) 6.767 5.685 ( 0.000 -0.402 0.000) 0.402 5.791 ( 0.000 28.588 0.000) 28.588 6.009 ( 0.000 26.586 0.000) 26.586 6.127 ( 0.000 3.204 0.000) 3.204 6.262 ( 0.000 2.389 0.000) 2.389 6.483 ( 0.000 -0.099 0.000) 0.099 7.078 ( 0.000 7.982 0.000) 7.982 7.084 ( 0.000 0.917 0.000) 0.917 7.379 ( 0.000 -3.303 0.000) 3.303 7.782 ( 0.000 -2.339 0.000) 2.339 7.834 ( 0.000 1.561 0.000) 1.561 8.147 ( 0.000 -0.350 0.000) 0.350 8.568 ( 0.000 -5.975 0.000) 5.975 8.612 ( 0.000 0.347 0.000) 0.347 8.617 ( 0.000 -0.167 0.000) 0.167 8.807 ( 0.000 -11.631 0.000) 11.631 8.912 ( 0.000 -4.866 0.000) 4.866 9.189 ( 0.000 -3.162 0.000) 3.162 9.273 ( 0.000 23.447 0.000) 23.447 9.353 ( 0.000 11.163 0.000) 11.163 9.546 ( 0.000 21.883 0.000) 21.883 9.639 ( 0.000 9.347 0.000) 9.347 9.848 ( 0.000 13.456 0.000) 13.456 10.344 ( 0.000 1.417 0.000) 1.417 10.454 ( 0.000 5.185 0.000) 5.185 10.545 ( 0.000 -0.496 0.000) 0.496 10.658 ( 0.000 4.848 0.000) 4.848 10.684 ( 0.000 4.623 0.000) 4.623 10.691 ( 0.000 6.600 0.000) 6.600 10.785 ( 0.000 3.542 0.000) 3.542 10.841 ( 0.000 1.829 0.000) 1.829 10.901 ( 0.000 5.435 0.000) 5.435 11.154 ( 0.000 -3.587 0.000) 3.587 11.188 ( 0.000 -1.513 0.000) 1.513 11.270 ( 0.000 -3.478 0.000) 3.478 11.544 ( 0.000 5.317 0.000) 5.317 11.591 ( 0.000 4.252 0.000) 4.252 11.922 ( 0.000 -0.519 0.000) 0.519 12.331 ( 0.000 -0.498 0.000) 0.498 12.520 ( 0.000 -2.540 0.000) 2.540 12.827 ( 0.000 -4.384 0.000) 4.384 12.846 ( 0.000 -1.298 0.000) 1.298 13.028 ( 0.000 4.418 0.000) 4.418 13.111 ( 0.000 -10.055 0.000) 10.055 13.147 ( 0.000 -6.381 0.000) 6.381 13.250 ( 0.000 -1.810 0.000) 1.810 13.375 ( 0.000 2.752 0.000) 2.752 13.776 ( 0.000 3.136 0.000) 3.136 13.918 ( 0.000 -0.819 0.000) 0.819 13.939 ( 0.000 -1.859 0.000) 1.859 14.569 ( 0.000 7.806 0.000) 7.806 14.643 ( 0.000 -4.969 0.000) 4.969 15.875 ( 0.000 -6.625 0.000) 6.625 16.359 ( 0.000 -9.530 0.000) 9.530 16.370 ( 0.000 -6.430 0.000) 6.430 16.639 ( 0.000 -9.820 0.000) 9.820 17.882 ( 0.000 -2.011 0.000) 2.011 18.170 ( 0.000 -4.886 0.000) 4.886 18.453 ( 0.000 -6.583 0.000) 6.583 19.205 ( 0.000 -5.932 0.000) 5.932 19.579 ( 0.000 -10.495 0.000) 10.495 19.667 ( 0.000 -9.797 0.000) 9.797 19.879 ( 0.000 -4.245 0.000) 4.245 20.253 ( 0.000 -12.708 0.000) 12.708 ======================= Grid point 6 (5/81) ======================= q-point: ( 0.20 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 27.623 33.494 0.000) 43.415 1.331 ( 36.092 28.388 0.000) 45.918 2.322 ( 42.880 66.141 0.000) 78.824 3.092 ( -13.554 6.814 0.000) 15.170 3.451 ( -15.006 27.143 0.000) 31.015 3.501 ( 4.989 6.942 0.000) 8.549 3.663 ( -2.003 9.319 0.000) 9.532 3.781 ( -8.508 25.452 0.000) 26.837 4.113 ( 3.028 19.971 0.000) 20.199 4.253 ( -5.299 27.732 0.000) 28.234 4.496 ( 2.862 2.495 0.000) 3.797 4.560 ( 1.204 20.598 0.000) 20.634 4.748 ( 2.705 18.249 0.000) 18.448 4.751 ( -3.241 20.844 0.000) 21.095 4.809 ( -10.694 2.255 0.000) 10.930 5.026 ( 2.413 25.817 0.000) 25.930 5.160 ( 2.232 1.769 0.000) 2.848 5.174 ( 4.704 7.259 0.000) 8.650 5.369 ( 6.012 16.099 0.000) 17.185 5.653 ( -8.901 5.182 0.000) 10.299 5.724 ( 10.621 -5.293 0.000) 11.867 5.797 ( 3.175 29.338 0.000) 29.509 5.985 ( -2.286 27.001 0.000) 27.098 6.125 ( -4.180 2.645 0.000) 4.946 6.528 ( 13.548 2.760 0.000) 13.826 6.642 ( 20.373 -8.859 0.000) 22.216 7.089 ( 0.411 0.738 0.000) 0.845 7.206 ( 7.753 -0.227 0.000) 7.756 7.380 ( -1.821 -4.645 0.000) 4.989 7.537 ( -14.943 -0.276 0.000) 14.946 7.830 ( 3.341 -1.220 0.000) 3.557 8.152 ( -10.589 -1.257 0.000) 10.664 8.393 ( -2.161 -1.460 0.000) 2.608 8.420 ( -18.702 -4.162 0.000) 19.160 8.769 ( 5.884 -3.990 0.000) 7.109 8.771 ( 2.654 -6.358 0.000) 6.890 8.946 ( -6.863 -1.940 0.000) 7.131 9.130 ( 0.351 -2.390 0.000) 2.416 9.344 ( 6.611 24.408 0.000) 25.288 9.384 ( -0.025 11.482 0.000) 11.482 9.447 ( -6.255 19.881 0.000) 20.842 9.714 ( 6.226 8.626 0.000) 10.638 9.907 ( 4.684 10.365 0.000) 11.374 10.010 ( -30.351 32.612 0.000) 44.551 10.192 ( -14.991 5.610 0.000) 16.006 10.193 ( -20.433 2.319 0.000) 20.564 10.475 ( -10.047 6.622 0.000) 12.033 10.541 ( -9.330 5.726 0.000) 10.948 10.778 ( 10.883 3.047 0.000) 11.302 10.876 ( 3.285 9.443 0.000) 9.998 10.882 ( 12.470 4.479 0.000) 13.251 11.148 ( 5.539 4.652 0.000) 7.233 11.261 ( 7.160 -0.755 0.000) 7.199 11.324 ( 9.008 -4.724 0.000) 10.171 11.342 ( 4.275 -3.345 0.000) 5.428 11.548 ( -2.023 2.438 0.000) 3.168 11.552 ( 0.625 4.591 0.000) 4.633 12.047 ( -8.295 -0.356 0.000) 8.302 12.127 ( 16.662 -2.288 0.000) 16.818 12.580 ( 0.652 1.349 0.000) 1.499 12.879 ( 3.225 -2.072 0.000) 3.833 12.980 ( -4.374 5.079 0.000) 6.703 13.021 ( -7.823 -7.864 0.000) 11.093 13.090 ( 9.963 -8.212 0.000) 12.911 13.163 ( 1.462 -6.102 0.000) 6.275 13.249 ( -0.152 -1.536 0.000) 1.544 13.306 ( -2.522 3.838 0.000) 4.593 13.589 ( -13.788 6.399 0.000) 15.200 13.921 ( 9.005 1.610 0.000) 9.148 14.022 ( 3.406 -2.743 0.000) 4.373 14.624 ( 4.606 5.849 0.000) 7.444 14.627 ( -0.432 -2.638 0.000) 2.673 15.895 ( 1.808 -6.446 0.000) 6.695 16.283 ( -7.367 -6.643 0.000) 9.920 16.301 ( -4.302 -8.634 0.000) 9.646 16.508 ( -10.507 -9.011 0.000) 13.842 18.005 ( 10.043 -2.716 0.000) 10.404 18.250 ( 6.985 -3.785 0.000) 7.945 18.431 ( -1.752 -5.876 0.000) 6.132 19.007 ( -13.449 4.120 0.000) 14.066 19.569 ( -0.856 -10.701 0.000) 10.735 19.637 ( -5.395 -6.296 0.000) 8.291 19.800 ( 3.251 -8.462 0.000) 9.065 20.193 ( -5.258 -12.383 0.000) 13.454 ======================= Grid point 7 (6/81) ======================= q-point: ( 0.40 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 32.330 20.233 0.000) 38.139 2.144 ( 37.531 26.211 0.000) 45.777 2.620 ( -27.808 12.629 0.000) 30.541 2.900 ( -32.150 26.280 0.000) 41.524 3.327 ( 38.005 24.544 0.000) 45.242 3.587 ( -3.555 7.016 0.000) 7.865 3.670 ( 19.197 18.404 0.000) 26.594 3.842 ( 7.694 29.635 0.000) 30.617 4.052 ( -7.426 28.962 0.000) 29.899 4.277 ( 6.801 22.243 0.000) 23.260 4.432 ( -13.664 18.946 0.000) 23.359 4.504 ( -18.870 9.001 0.000) 20.907 4.517 ( 2.314 1.909 0.000) 2.999 4.722 ( -16.014 13.454 0.000) 20.915 4.772 ( 3.504 21.812 0.000) 22.092 4.881 ( -14.432 22.544 0.000) 26.768 5.121 ( 3.873 19.860 0.000) 20.234 5.191 ( -1.874 15.996 0.000) 16.106 5.502 ( 3.234 2.008 0.000) 3.807 5.514 ( 4.163 6.857 0.000) 8.021 5.875 ( 1.669 26.505 0.000) 26.558 5.916 ( -2.664 23.939 0.000) 24.087 6.044 ( 13.490 -6.153 0.000) 14.827 6.132 ( 3.886 -0.658 0.000) 3.941 6.967 ( 6.699 -5.127 0.000) 8.436 6.967 ( 21.289 0.066 0.000) 21.289 7.146 ( 10.297 -1.716 0.000) 10.439 7.154 ( -11.573 0.258 0.000) 11.576 7.314 ( -0.959 -0.254 0.000) 0.992 7.386 ( -6.943 -8.053 0.000) 10.633 7.737 ( -13.743 1.839 0.000) 13.866 7.910 ( -20.818 -0.146 0.000) 20.819 8.081 ( 18.286 -0.570 0.000) 18.295 8.552 ( -7.346 -3.119 0.000) 7.981 8.673 ( -2.937 -6.154 0.000) 6.819 8.822 ( -3.748 -5.166 0.000) 6.382 8.836 ( 6.471 -0.245 0.000) 6.476 9.047 ( -11.459 0.755 0.000) 11.484 9.321 ( -2.141 15.265 0.000) 15.415 9.344 ( -3.173 16.466 0.000) 16.768 9.496 ( 5.398 28.698 0.000) 29.202 9.568 ( -5.147 29.383 0.000) 29.831 9.867 ( -2.430 3.346 0.000) 4.136 9.871 ( -6.516 -1.817 0.000) 6.765 9.962 ( 4.866 14.130 0.000) 14.945 10.079 ( 2.056 14.933 0.000) 15.073 10.270 ( -6.058 5.767 0.000) 8.365 10.350 ( -8.414 6.380 0.000) 10.559 10.912 ( 3.282 7.651 0.000) 8.325 10.932 ( 1.289 8.720 0.000) 8.815 11.131 ( 6.375 1.192 0.000) 6.485 11.191 ( -0.718 1.848 0.000) 1.982 11.434 ( 5.008 -1.635 0.000) 5.268 11.479 ( 4.947 -2.108 0.000) 5.377 11.487 ( 10.596 -1.344 0.000) 10.681 11.513 ( -1.572 -0.350 0.000) 1.610 11.580 ( 4.532 2.691 0.000) 5.270 11.857 ( -12.659 -1.918 0.000) 12.804 12.451 ( 9.828 -1.524 0.000) 9.946 12.550 ( -2.439 3.598 0.000) 4.347 12.854 ( -3.384 -7.076 0.000) 7.843 12.876 ( -4.079 -2.546 0.000) 4.809 13.037 ( 9.765 -1.236 0.000) 9.843 13.181 ( -0.264 -3.663 0.000) 3.672 13.196 ( 1.423 -4.574 0.000) 4.790 13.230 ( -1.991 -2.391 0.000) 3.111 13.295 ( 1.259 3.070 0.000) 3.318 13.389 ( -7.637 3.001 0.000) 8.205 14.060 ( 3.585 -0.487 0.000) 3.618 14.080 ( 1.323 -4.532 0.000) 4.721 14.668 ( 3.814 0.761 0.000) 3.890 14.708 ( 1.533 2.384 0.000) 2.834 15.965 ( 5.030 -6.481 0.000) 8.204 16.107 ( -8.036 -6.764 0.000) 10.504 16.222 ( -1.717 -8.034 0.000) 8.216 16.287 ( -8.072 -7.995 0.000) 11.361 18.229 ( 9.305 -4.921 0.000) 10.526 18.372 ( -4.288 -5.956 0.000) 7.339 18.448 ( 11.413 0.144 0.000) 11.414 18.720 ( -13.415 3.734 0.000) 13.925 19.551 ( -0.568 -10.977 0.000) 10.992 19.559 ( -1.684 -9.998 0.000) 10.139 19.913 ( 6.204 -10.955 0.000) 12.590 20.056 ( -6.989 -11.695 0.000) 13.624 ======================= Grid point 10 (7/81) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.000 41.911 0.000) 41.911 1.873 ( 0.000 44.967 0.000) 44.967 3.425 ( 0.000 49.292 0.000) 49.292 3.459 ( 0.000 19.452 0.000) 19.452 3.734 ( 0.000 47.463 0.000) 47.463 3.793 ( 0.000 6.443 0.000) 6.443 4.306 ( 0.000 35.218 0.000) 35.218 4.432 ( 0.000 7.290 0.000) 7.290 4.651 ( 0.000 26.799 0.000) 26.799 4.658 ( 0.000 8.176 0.000) 8.176 4.710 ( 0.000 29.897 0.000) 29.897 4.909 ( 0.000 14.531 0.000) 14.531 4.945 ( 0.000 15.027 0.000) 15.027 5.154 ( 0.000 21.787 0.000) 21.787 5.212 ( 0.000 25.434 0.000) 25.434 5.432 ( 0.000 31.511 0.000) 31.511 5.459 ( 0.000 25.928 0.000) 25.928 5.679 ( 0.000 3.246 0.000) 3.246 5.688 ( 0.000 29.023 0.000) 29.023 5.817 ( 0.000 13.503 0.000) 13.503 5.913 ( 0.000 32.140 0.000) 32.140 6.262 ( 0.000 11.339 0.000) 11.339 6.329 ( 0.000 4.353 0.000) 4.353 6.404 ( 0.000 30.878 0.000) 30.878 6.607 ( 0.000 17.544 0.000) 17.544 6.680 ( 0.000 37.340 0.000) 37.340 7.129 ( 0.000 4.363 0.000) 4.363 7.314 ( 0.000 -2.668 0.000) 2.668 7.426 ( 0.000 29.828 0.000) 29.828 7.778 ( 0.000 3.420 0.000) 3.420 7.904 ( 0.000 5.810 0.000) 5.810 8.144 ( 0.000 0.247 0.000) 0.247 8.487 ( 0.000 -1.798 0.000) 1.798 8.586 ( 0.000 -10.035 0.000) 10.035 8.628 ( 0.000 1.344 0.000) 1.344 8.648 ( 0.000 4.955 0.000) 4.955 8.831 ( 0.000 -2.583 0.000) 2.583 9.130 ( 0.000 -2.797 0.000) 2.797 9.568 ( 0.000 8.372 0.000) 8.372 9.737 ( 0.000 19.511 0.000) 19.511 9.751 ( 0.000 0.601 0.000) 0.601 10.032 ( 0.000 23.944 0.000) 23.944 10.112 ( 0.000 10.779 0.000) 10.779 10.436 ( 0.000 4.184 0.000) 4.184 10.563 ( 0.000 3.569 0.000) 3.569 10.595 ( 0.000 0.552 0.000) 0.552 10.769 ( 0.000 0.807 0.000) 0.807 10.775 ( 0.000 13.602 0.000) 13.602 10.793 ( 0.000 1.557 0.000) 1.557 10.804 ( 0.000 4.786 0.000) 4.786 10.896 ( 0.000 4.819 0.000) 4.819 11.112 ( 0.000 1.693 0.000) 1.693 11.115 ( 0.000 11.117 0.000) 11.117 11.186 ( 0.000 3.009 0.000) 3.009 11.262 ( 0.000 4.071 0.000) 4.071 11.681 ( 0.000 8.370 0.000) 8.370 11.706 ( 0.000 6.836 0.000) 6.836 11.941 ( 0.000 3.652 0.000) 3.652 12.341 ( 0.000 2.429 0.000) 2.429 12.442 ( 0.000 -5.398 0.000) 5.398 12.737 ( 0.000 -4.679 0.000) 4.679 12.792 ( 0.000 -4.591 0.000) 4.591 12.901 ( 0.000 -10.159 0.000) 10.159 13.026 ( 0.000 -4.605 0.000) 4.605 13.098 ( 0.000 2.142 0.000) 2.142 13.225 ( 0.000 0.136 0.000) 0.136 13.413 ( 0.000 0.950 0.000) 0.950 13.803 ( 0.000 -0.344 0.000) 0.344 13.878 ( 0.000 -4.417 0.000) 4.417 13.896 ( 0.000 -1.294 0.000) 1.294 14.528 ( 0.000 -5.508 0.000) 5.508 14.756 ( 0.000 9.508 0.000) 9.508 15.690 ( 0.000 -11.448 0.000) 11.448 16.090 ( 0.000 -16.931 0.000) 16.931 16.184 ( 0.000 -12.049 0.000) 12.049 16.351 ( 0.000 -18.799 0.000) 18.799 17.828 ( 0.000 -3.153 0.000) 3.153 18.053 ( 0.000 -6.108 0.000) 6.108 18.264 ( 0.000 -12.108 0.000) 12.108 19.038 ( 0.000 -10.538 0.000) 10.538 19.285 ( 0.000 -18.425 0.000) 18.425 19.391 ( 0.000 -17.377 0.000) 17.377 19.750 ( 0.000 -8.601 0.000) 8.601 19.906 ( 0.000 -21.126 0.000) 21.126 ======================= Grid point 11 (8/81) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 24.171 34.205 0.000) 41.884 2.053 ( 15.785 39.899 0.000) 42.908 3.322 ( -9.920 18.117 0.000) 20.655 3.719 ( 4.643 17.289 0.000) 17.902 3.749 ( -3.053 9.532 0.000) 10.009 3.830 ( 24.023 73.442 0.000) 77.271 4.132 ( -25.491 23.430 0.000) 34.623 4.394 ( 2.839 30.753 0.000) 30.884 4.493 ( 3.556 3.679 0.000) 5.116 4.606 ( -0.975 25.399 0.000) 25.417 4.833 ( -4.243 9.414 0.000) 10.326 4.976 ( 3.442 28.862 0.000) 29.067 5.153 ( 12.181 24.938 0.000) 27.754 5.159 ( -2.341 23.091 0.000) 23.209 5.206 ( -4.534 28.233 0.000) 28.594 5.336 ( -0.649 18.986 0.000) 18.997 5.366 ( 2.866 13.167 0.000) 13.475 5.637 ( -2.996 29.359 0.000) 29.511 5.719 ( 2.366 15.592 0.000) 15.771 5.850 ( -3.956 13.697 0.000) 14.256 5.949 ( 3.472 28.898 0.000) 29.106 6.306 ( -5.096 19.690 0.000) 20.338 6.448 ( 7.294 30.352 0.000) 31.217 6.544 ( 15.338 -2.296 0.000) 15.509 6.654 ( 10.043 13.888 0.000) 17.138 6.666 ( -1.397 37.948 0.000) 37.974 7.134 ( 0.335 3.952 0.000) 3.966 7.286 ( -2.171 -3.916 0.000) 4.477 7.454 ( 2.118 25.875 0.000) 25.962 7.580 ( -18.824 5.681 0.000) 19.663 7.836 ( 3.287 2.927 0.000) 4.401 8.142 ( -8.636 0.716 0.000) 8.665 8.362 ( -14.886 -0.693 0.000) 14.902 8.381 ( -4.447 0.618 0.000) 4.490 8.669 ( 7.188 -2.844 0.000) 7.730 8.734 ( 5.689 1.039 0.000) 5.783 8.897 ( -9.850 -2.927 0.000) 10.276 9.094 ( 4.378 -0.773 0.000) 4.445 9.611 ( 2.680 9.022 0.000) 9.412 9.762 ( 0.207 16.028 0.000) 16.029 9.834 ( 7.251 1.405 0.000) 7.386 9.908 ( -3.361 20.688 0.000) 20.959 10.052 ( -8.043 4.942 0.000) 9.440 10.125 ( -27.131 0.252 0.000) 27.133 10.476 ( -3.339 20.889 0.000) 21.155 10.532 ( -4.279 18.232 0.000) 18.727 10.584 ( -7.453 2.571 0.000) 7.884 10.679 ( -8.075 7.038 0.000) 10.712 10.848 ( 13.538 1.127 0.000) 13.585 10.992 ( 11.312 8.090 0.000) 13.907 11.097 ( 5.180 8.732 0.000) 10.153 11.215 ( 7.736 -3.553 0.000) 8.513 11.246 ( 5.803 5.574 0.000) 8.046 11.281 ( 4.960 4.052 0.000) 6.405 11.327 ( 7.024 3.055 0.000) 7.660 11.661 ( -1.383 6.823 0.000) 6.962 11.662 ( -4.171 8.396 0.000) 9.375 12.034 ( -13.178 0.242 0.000) 13.180 12.094 ( 13.049 0.189 0.000) 13.050 12.546 ( 3.599 -3.996 0.000) 5.377 12.794 ( -1.175 -6.347 0.000) 6.455 12.867 ( -0.878 -7.412 0.000) 7.464 12.964 ( 11.717 -5.121 0.000) 12.787 13.057 ( 2.767 -3.326 0.000) 4.326 13.065 ( -4.877 2.639 0.000) 5.545 13.228 ( 0.297 0.051 0.000) 0.301 13.361 ( -2.665 1.590 0.000) 3.103 13.645 ( -13.440 0.443 0.000) 13.447 13.910 ( 6.894 -2.686 0.000) 7.399 13.924 ( -1.003 -6.731 0.000) 6.806 14.577 ( 4.462 -1.817 0.000) 4.817 14.778 ( 1.644 8.408 0.000) 8.568 15.709 ( 1.836 -11.681 0.000) 11.825 16.050 ( -3.199 -16.003 0.000) 16.319 16.089 ( -7.844 -12.620 0.000) 14.858 16.246 ( -8.627 -16.921 0.000) 18.993 17.917 ( 7.244 -6.000 0.000) 9.406 18.172 ( 10.452 -3.435 0.000) 11.002 18.254 ( -1.100 -11.515 0.000) 11.567 18.956 ( -6.788 -7.975 0.000) 10.473 19.271 ( -1.113 -18.517 0.000) 18.551 19.422 ( -0.034 -15.691 0.000) 15.691 19.609 ( -7.878 -9.618 0.000) 12.432 19.854 ( -4.594 -20.717 0.000) 21.221 ======================= Grid point 12 (9/81) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 22.976 30.296 0.000) 38.023 2.652 ( 37.270 24.372 0.000) 44.531 2.971 ( -21.337 21.744 0.000) 30.465 3.428 ( -32.864 23.759 0.000) 40.553 3.770 ( 1.517 20.350 0.000) 20.406 3.781 ( -1.083 11.665 0.000) 11.716 4.416 ( 6.750 28.893 0.000) 29.671 4.458 ( -0.385 18.293 0.000) 18.297 4.517 ( 21.815 29.420 0.000) 36.625 4.708 ( -1.740 24.541 0.000) 24.603 4.733 ( 4.491 24.111 0.000) 24.526 4.965 ( -14.027 31.382 0.000) 34.374 4.970 ( 3.642 44.925 0.000) 45.072 5.205 ( 6.287 16.831 0.000) 17.967 5.293 ( -3.572 31.299 0.000) 31.502 5.355 ( -14.774 18.505 0.000) 23.679 5.507 ( -1.526 30.913 0.000) 30.950 5.508 ( 4.267 17.397 0.000) 17.912 5.737 ( 2.567 14.810 0.000) 15.031 5.766 ( 1.888 9.967 0.000) 10.144 6.047 ( 5.495 20.887 0.000) 21.598 6.170 ( -5.485 14.731 0.000) 15.719 6.599 ( 4.235 37.899 0.000) 38.135 6.628 ( -0.898 37.610 0.000) 37.621 6.869 ( 13.789 -3.414 0.000) 14.205 6.977 ( 14.539 1.497 0.000) 14.616 7.140 ( 0.203 0.965 0.000) 0.986 7.183 ( -11.855 3.501 0.000) 12.361 7.265 ( -2.979 -2.954 0.000) 4.195 7.425 ( -9.320 12.211 0.000) 15.361 7.855 ( -4.971 12.387 0.000) 13.347 7.965 ( -3.673 7.085 0.000) 7.980 8.103 ( 6.506 4.192 0.000) 7.740 8.498 ( -9.852 -2.278 0.000) 10.112 8.568 ( -0.901 -4.229 0.000) 4.324 8.726 ( -3.500 -3.877 0.000) 5.223 8.865 ( 8.465 3.581 0.000) 9.191 9.086 ( -8.731 3.544 0.000) 9.423 9.664 ( 0.983 16.499 0.000) 16.528 9.700 ( -3.560 15.767 0.000) 16.164 9.721 ( -3.554 -2.305 0.000) 4.236 9.823 ( -8.123 -1.367 0.000) 8.237 10.017 ( 6.790 20.569 0.000) 21.661 10.022 ( 8.055 6.448 0.000) 10.318 10.370 ( -8.463 3.027 0.000) 8.988 10.371 ( -9.551 15.622 0.000) 18.310 10.499 ( 2.081 24.173 0.000) 24.263 10.561 ( -3.123 16.911 0.000) 17.197 11.050 ( 6.981 0.463 0.000) 6.996 11.168 ( -0.730 11.363 0.000) 11.387 11.203 ( -2.041 -0.402 0.000) 2.080 11.207 ( 2.632 10.492 0.000) 10.817 11.451 ( 10.172 4.040 0.000) 10.945 11.451 ( 9.532 1.124 0.000) 9.598 11.486 ( 9.171 1.521 0.000) 9.296 11.566 ( -3.987 6.735 0.000) 7.827 11.627 ( -1.506 3.390 0.000) 3.709 11.810 ( -11.144 -1.977 0.000) 11.318 12.418 ( 15.311 -1.418 0.000) 15.376 12.586 ( -0.077 -0.938 0.000) 0.941 12.707 ( -3.323 -6.797 0.000) 7.566 12.835 ( -14.441 -1.092 0.000) 14.483 12.986 ( 9.999 -5.102 0.000) 11.226 13.107 ( 1.929 -5.025 0.000) 5.383 13.116 ( 2.267 -1.702 0.000) 2.835 13.199 ( -4.735 0.395 0.000) 4.752 13.339 ( 0.612 1.272 0.000) 1.412 13.412 ( -7.610 -0.144 0.000) 7.611 13.949 ( 3.702 -8.118 0.000) 8.922 14.000 ( 0.630 -5.621 0.000) 5.656 14.700 ( 6.211 2.503 0.000) 6.697 14.791 ( -1.507 5.497 0.000) 5.700 15.776 ( 4.697 -12.085 0.000) 12.966 15.910 ( -7.770 -12.737 0.000) 14.920 15.992 ( -1.018 -14.648 0.000) 14.684 16.056 ( -7.258 -14.736 0.000) 16.427 18.083 ( 7.288 -9.260 0.000) 11.784 18.204 ( -3.908 -10.517 0.000) 11.220 18.454 ( 14.873 0.059 0.000) 14.873 18.755 ( -12.287 -1.387 0.000) 12.365 19.253 ( 0.038 -18.056 0.000) 18.056 19.307 ( -5.730 -14.179 0.000) 15.293 19.612 ( 4.731 -18.438 0.000) 19.036 19.733 ( -6.144 -19.828 0.000) 20.759 ======================= Grid point 15 (10/81) ======================= q-point: ( 0.00 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 0.000 38.186 0.000) 38.186 2.730 ( 0.000 40.375 0.000) 40.375 3.819 ( 0.000 14.961 0.000) 14.961 3.912 ( 0.000 24.939 0.000) 24.939 3.938 ( 0.000 7.622 0.000) 7.622 4.554 ( 0.000 6.672 0.000) 6.672 4.647 ( 0.000 2.540 0.000) 2.540 4.811 ( 0.000 8.772 0.000) 8.772 4.921 ( 0.000 2.833 0.000) 2.833 5.098 ( 0.000 16.737 0.000) 16.737 5.225 ( 0.000 27.473 0.000) 27.473 5.261 ( 0.000 70.503 0.000) 70.503 5.521 ( 0.000 21.216 0.000) 21.216 5.548 ( 0.000 5.348 0.000) 5.348 5.783 ( 0.000 36.167 0.000) 36.167 5.902 ( 0.000 8.332 0.000) 8.332 5.966 ( 0.000 20.073 0.000) 20.073 6.073 ( 0.000 39.274 0.000) 39.274 6.164 ( 0.000 29.600 0.000) 29.600 6.184 ( 0.000 23.171 0.000) 23.171 6.445 ( 0.000 9.091 0.000) 9.091 6.503 ( 0.000 24.489 0.000) 24.489 6.558 ( 0.000 16.352 0.000) 16.352 7.038 ( 0.000 18.454 0.000) 18.454 7.127 ( 0.000 28.982 0.000) 28.982 7.290 ( 0.000 11.589 0.000) 11.589 7.342 ( 0.000 16.998 0.000) 16.998 7.474 ( 0.000 42.164 0.000) 42.164 7.968 ( 0.000 15.883 0.000) 15.883 8.048 ( 0.000 7.874 0.000) 7.874 8.167 ( 0.000 2.403 0.000) 2.403 8.233 ( 0.000 44.281 0.000) 44.281 8.387 ( 0.000 -8.030 0.000) 8.030 8.572 ( 0.000 10.666 0.000) 10.666 8.683 ( 0.000 5.852 0.000) 5.852 8.849 ( 0.000 5.835 0.000) 5.835 8.911 ( 0.000 22.974 0.000) 22.974 9.086 ( 0.000 -0.518 0.000) 0.518 9.617 ( 0.000 -4.179 0.000) 4.179 9.691 ( 0.000 -5.346 0.000) 5.346 9.958 ( 0.000 1.625 0.000) 1.625 10.288 ( 0.000 7.310 0.000) 7.310 10.350 ( 0.000 7.775 0.000) 7.775 10.407 ( 0.000 -4.520 0.000) 4.520 10.423 ( 0.000 -12.449 0.000) 12.449 10.673 ( 0.000 -2.352 0.000) 2.352 10.690 ( 0.000 -6.197 0.000) 6.197 10.805 ( 0.000 8.130 0.000) 8.130 11.024 ( 0.000 4.961 0.000) 4.961 11.037 ( 0.000 14.431 0.000) 14.431 11.155 ( 0.000 16.957 0.000) 16.957 11.251 ( 0.000 1.594 0.000) 1.594 11.266 ( 0.000 13.758 0.000) 13.758 11.350 ( 0.000 13.707 0.000) 13.707 11.440 ( 0.000 13.991 0.000) 13.991 11.854 ( 0.000 8.327 0.000) 8.327 11.870 ( 0.000 10.127 0.000) 10.127 12.113 ( 0.000 13.810 0.000) 13.810 12.310 ( 0.000 -7.414 0.000) 7.414 12.464 ( 0.000 10.028 0.000) 10.028 12.627 ( 0.000 -6.937 0.000) 6.937 12.675 ( 0.000 -5.689 0.000) 5.689 12.719 ( 0.000 -7.883 0.000) 7.883 12.992 ( 0.000 1.079 0.000) 1.079 13.109 ( 0.000 -0.749 0.000) 0.749 13.282 ( 0.000 5.850 0.000) 5.850 13.412 ( 0.000 -0.920 0.000) 0.920 13.763 ( 0.000 -6.477 0.000) 6.477 13.779 ( 0.000 -1.554 0.000) 1.554 13.871 ( 0.000 -1.053 0.000) 1.053 14.448 ( 0.000 -2.789 0.000) 2.789 14.895 ( 0.000 3.350 0.000) 3.350 15.442 ( 0.000 -12.541 0.000) 12.541 15.709 ( 0.000 -20.388 0.000) 20.388 15.898 ( 0.000 -16.233 0.000) 16.233 15.904 ( 0.000 -25.267 0.000) 25.267 17.762 ( 0.000 -3.352 0.000) 3.352 17.950 ( 0.000 -3.976 0.000) 3.976 17.982 ( 0.000 -15.696 0.000) 15.696 18.797 ( 0.000 -13.177 0.000) 13.177 18.869 ( 0.000 -22.469 0.000) 22.469 18.994 ( 0.000 -21.733 0.000) 21.733 19.447 ( 0.000 -23.922 0.000) 23.922 19.537 ( 0.000 -12.670 0.000) 12.670 ======================= Grid point 16 (11/81) ======================= q-point: ( 0.20 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 14.822 34.299 0.000) 37.364 2.836 ( 9.516 37.604 0.000) 38.790 3.711 ( -8.911 20.166 0.000) 22.047 3.938 ( 1.347 8.832 0.000) 8.934 4.096 ( 11.841 21.349 0.000) 24.413 4.450 ( -24.024 11.111 0.000) 26.469 4.533 ( -0.487 4.893 0.000) 4.917 4.722 ( 0.389 6.810 0.000) 6.821 4.919 ( -1.243 6.422 0.000) 6.541 5.171 ( 2.492 15.742 0.000) 15.938 5.191 ( 3.400 31.283 0.000) 31.467 5.451 ( 11.073 39.519 0.000) 41.041 5.475 ( -1.269 13.133 0.000) 13.194 5.578 ( 6.318 23.322 0.000) 24.162 5.808 ( -3.678 29.056 0.000) 29.288 5.940 ( 3.855 23.428 0.000) 23.743 5.940 ( -2.498 39.858 0.000) 39.936 6.057 ( -3.012 26.585 0.000) 26.756 6.183 ( 7.159 26.579 0.000) 27.526 6.268 ( 4.020 25.689 0.000) 26.002 6.434 ( -0.512 13.509 0.000) 13.519 6.591 ( 8.187 13.177 0.000) 15.513 6.674 ( 8.217 10.715 0.000) 13.503 6.953 ( -8.878 26.112 0.000) 27.580 7.175 ( 4.590 9.503 0.000) 10.553 7.255 ( -2.785 9.675 0.000) 10.068 7.319 ( 0.063 27.691 0.000) 27.691 7.451 ( -3.042 38.054 0.000) 38.175 7.772 ( -19.672 12.845 0.000) 23.494 8.007 ( 3.549 14.928 0.000) 15.344 8.105 ( -9.929 18.820 0.000) 21.278 8.265 ( 4.484 22.209 0.000) 22.657 8.395 ( 0.516 3.911 0.000) 3.945 8.489 ( -5.823 16.916 0.000) 17.890 8.691 ( 5.579 5.962 0.000) 8.165 8.835 ( -13.047 -2.548 0.000) 13.294 8.912 ( 1.256 19.808 0.000) 19.848 9.132 ( 8.759 5.834 0.000) 10.525 9.653 ( 0.792 -6.196 0.000) 6.246 9.788 ( 7.759 -2.675 0.000) 8.207 9.883 ( -7.214 -2.248 0.000) 7.556 10.149 ( -8.030 6.399 0.000) 10.267 10.191 ( -13.926 4.744 0.000) 14.712 10.256 ( -0.045 11.133 0.000) 11.133 10.518 ( -3.435 -7.061 0.000) 7.852 10.651 ( -4.064 -4.724 0.000) 6.231 10.750 ( 6.368 -6.722 0.000) 9.259 10.880 ( 6.064 12.582 0.000) 13.967 10.912 ( -3.178 11.682 0.000) 12.106 11.158 ( 3.767 3.770 0.000) 5.330 11.242 ( 8.900 13.205 0.000) 15.924 11.256 ( 3.403 2.639 0.000) 4.306 11.397 ( 5.902 9.394 0.000) 11.094 11.410 ( 4.493 9.782 0.000) 10.765 11.507 ( 5.200 14.512 0.000) 15.415 11.844 ( -1.180 9.339 0.000) 9.413 11.852 ( -1.051 12.439 0.000) 12.483 12.095 ( -13.584 5.162 0.000) 14.532 12.177 ( 5.953 8.713 0.000) 10.553 12.459 ( 2.958 -3.278 0.000) 4.415 12.670 ( -1.628 -4.956 0.000) 5.217 12.717 ( 2.251 -7.192 0.000) 7.536 12.855 ( 10.635 -6.242 0.000) 12.331 13.038 ( 3.715 1.101 0.000) 3.875 13.081 ( -4.689 -0.883 0.000) 4.771 13.266 ( -0.566 3.991 0.000) 4.031 13.373 ( -2.121 -0.085 0.000) 2.123 13.640 ( -11.421 -0.358 0.000) 11.426 13.790 ( -3.436 -5.417 0.000) 6.415 13.836 ( 3.470 -3.979 0.000) 5.280 14.558 ( 8.474 -0.651 0.000) 8.499 14.910 ( 0.907 3.775 0.000) 3.882 15.453 ( 1.150 -13.176 0.000) 13.226 15.687 ( -1.774 -19.538 0.000) 19.618 15.774 ( -8.272 -19.674 0.000) 21.342 15.862 ( -5.587 -19.827 0.000) 20.599 17.784 ( 3.112 -6.772 0.000) 7.453 17.986 ( 0.048 -14.975 0.000) 14.975 18.119 ( 13.359 -2.104 0.000) 13.523 18.736 ( -4.397 -13.220 0.000) 13.932 18.857 ( -0.888 -22.252 0.000) 22.269 19.042 ( 3.122 -21.262 0.000) 21.490 19.402 ( -3.994 -23.641 0.000) 23.976 19.403 ( -11.218 -11.519 0.000) 16.079 ======================= Grid point 17 (12/81) ======================= q-point: ( 0.40 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 14.934 30.890 0.000) 34.311 3.138 ( 28.392 24.351 0.000) 37.404 3.449 ( -14.139 24.953 0.000) 28.680 3.829 ( -32.014 16.342 0.000) 35.944 4.040 ( 7.814 14.214 0.000) 16.220 4.213 ( -4.128 23.527 0.000) 23.887 4.519 ( 2.214 3.146 0.000) 3.848 4.646 ( -6.920 8.799 0.000) 11.194 5.020 ( 9.876 4.594 0.000) 10.892 5.169 ( -3.042 8.150 0.000) 8.699 5.357 ( 10.447 25.142 0.000) 27.226 5.547 ( 4.601 23.323 0.000) 23.773 5.619 ( -8.708 24.979 0.000) 26.453 5.658 ( 9.629 7.180 0.000) 12.012 5.714 ( -2.364 36.676 0.000) 36.752 5.871 ( -8.523 8.296 0.000) 11.894 5.998 ( 13.350 49.974 0.000) 51.726 6.142 ( 5.438 33.663 0.000) 34.100 6.252 ( -1.067 37.327 0.000) 37.342 6.296 ( -4.621 43.632 0.000) 43.876 6.480 ( 4.981 14.465 0.000) 15.298 6.632 ( -10.207 24.501 0.000) 26.542 6.825 ( 12.605 3.920 0.000) 13.200 6.931 ( 5.486 2.129 0.000) 5.884 7.186 ( -3.383 3.596 0.000) 4.937 7.200 ( -0.812 3.984 0.000) 4.066 7.317 ( -11.962 9.684 0.000) 15.391 7.331 ( -6.922 27.080 0.000) 27.951 7.513 ( 9.392 37.916 0.000) 39.061 7.802 ( -15.368 25.095 0.000) 29.427 8.149 ( 10.748 9.713 0.000) 14.487 8.341 ( 1.971 32.600 0.000) 32.660 8.397 ( -1.040 26.525 0.000) 26.546 8.476 ( -16.077 1.667 0.000) 16.163 8.552 ( 7.135 7.067 0.000) 10.043 8.703 ( -4.330 3.183 0.000) 5.373 9.014 ( 8.598 12.588 0.000) 15.244 9.212 ( -5.275 9.751 0.000) 11.087 9.607 ( -0.282 -7.457 0.000) 7.462 9.708 ( -7.651 -4.666 0.000) 8.962 9.930 ( 4.384 7.290 0.000) 8.507 10.021 ( -4.576 10.641 0.000) 11.584 10.117 ( 7.722 5.062 0.000) 9.234 10.316 ( -2.380 8.811 0.000) 9.126 10.369 ( -1.355 -1.948 0.000) 2.373 10.518 ( -7.977 0.784 0.000) 8.016 10.852 ( 2.351 2.846 0.000) 3.691 10.878 ( -0.799 9.259 0.000) 9.293 10.986 ( 5.046 1.479 0.000) 5.258 11.113 ( -6.105 -2.752 0.000) 6.696 11.364 ( 5.260 3.588 0.000) 6.367 11.443 ( -1.040 2.100 0.000) 2.344 11.524 ( 12.479 10.933 0.000) 16.591 11.547 ( 7.650 8.691 0.000) 11.578 11.627 ( 6.120 13.206 0.000) 14.555 11.793 ( -3.202 13.747 0.000) 14.115 11.805 ( -3.847 13.747 0.000) 14.275 11.838 ( -11.173 6.798 0.000) 13.078 12.410 ( 16.452 0.896 0.000) 16.476 12.529 ( 3.120 -3.556 0.000) 4.731 12.601 ( -3.699 -3.630 0.000) 5.183 12.807 ( -17.583 -3.023 0.000) 17.841 12.856 ( 8.971 -6.396 0.000) 11.017 12.986 ( -1.275 -5.933 0.000) 6.069 13.132 ( 5.140 2.553 0.000) 5.739 13.249 ( -3.502 4.469 0.000) 5.678 13.355 ( 0.302 0.584 0.000) 0.657 13.408 ( -7.021 -0.108 0.000) 7.022 13.791 ( 3.398 -6.483 0.000) 7.320 13.863 ( -1.595 -7.040 0.000) 7.218 14.754 ( 8.924 2.132 0.000) 9.175 14.894 ( -3.450 3.936 0.000) 5.234 15.502 ( 3.587 -14.795 0.000) 15.224 15.607 ( -6.449 -17.487 0.000) 18.638 15.656 ( -0.277 -18.341 0.000) 18.343 15.718 ( -6.195 -18.380 0.000) 19.396 17.881 ( 5.066 -10.419 0.000) 11.585 17.965 ( -2.378 -13.033 0.000) 13.248 18.432 ( 13.993 -2.776 0.000) 14.265 18.636 ( -5.547 -10.592 0.000) 11.957 18.863 ( 2.894 -20.065 0.000) 20.272 19.023 ( -8.932 -14.362 0.000) 16.913 19.215 ( -0.230 -19.923 0.000) 19.924 19.297 ( -5.300 -23.038 0.000) 23.640 ======================= Grid point 20 (13/81) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 0.000 30.892 0.000) 30.892 3.468 ( 0.000 33.022 0.000) 33.022 4.083 ( 0.000 6.873 0.000) 6.873 4.122 ( 0.000 15.031 0.000) 15.031 4.389 ( 0.000 19.558 0.000) 19.558 4.641 ( 0.000 -1.514 0.000) 1.514 4.745 ( 0.000 14.969 0.000) 14.969 4.896 ( 0.000 -2.137 0.000) 2.137 5.044 ( 0.000 14.779 0.000) 14.779 5.303 ( 0.000 4.415 0.000) 4.415 5.610 ( 0.000 3.825 0.000) 3.825 5.717 ( 0.000 22.190 0.000) 22.190 5.805 ( 0.000 11.245 0.000) 11.245 5.978 ( 0.000 2.682 0.000) 2.682 6.187 ( 0.000 4.000 0.000) 4.000 6.438 ( 0.000 22.202 0.000) 22.202 6.450 ( 0.000 37.774 0.000) 37.774 6.576 ( 0.000 12.275 0.000) 12.275 6.698 ( 0.000 19.803 0.000) 19.803 6.719 ( 0.000 20.600 0.000) 20.600 6.784 ( 0.000 23.464 0.000) 23.464 6.937 ( 0.000 24.532 0.000) 24.532 7.192 ( 0.000 45.792 0.000) 45.792 7.229 ( 0.000 5.699 0.000) 5.699 7.368 ( 0.000 10.051 0.000) 10.051 7.522 ( 0.000 14.967 0.000) 14.967 7.930 ( 0.000 15.330 0.000) 15.330 8.222 ( 0.000 -2.994 0.000) 2.994 8.245 ( 0.000 28.223 0.000) 28.223 8.263 ( 0.000 8.880 0.000) 8.880 8.408 ( 0.000 35.781 0.000) 35.781 8.414 ( 0.000 22.113 0.000) 22.113 8.687 ( 0.000 8.970 0.000) 8.970 8.910 ( 0.000 4.273 0.000) 4.273 8.954 ( 0.000 24.512 0.000) 24.512 9.056 ( 0.000 8.126 0.000) 8.126 9.333 ( 0.000 15.024 0.000) 15.024 9.464 ( 0.000 25.716 0.000) 25.716 9.474 ( 0.000 -2.931 0.000) 2.931 9.699 ( 0.000 22.502 0.000) 22.502 9.869 ( 0.000 -6.858 0.000) 6.858 10.121 ( 0.000 -11.397 0.000) 11.397 10.343 ( 0.000 -8.433 0.000) 8.433 10.356 ( 0.000 1.383 0.000) 1.383 10.537 ( 0.000 16.001 0.000) 16.001 10.562 ( 0.000 -6.829 0.000) 6.829 10.641 ( 0.000 4.216 0.000) 4.216 10.948 ( 0.000 3.964 0.000) 3.964 11.033 ( 0.000 -3.997 0.000) 3.997 11.188 ( 0.000 -5.701 0.000) 5.701 11.280 ( 0.000 8.740 0.000) 8.740 11.359 ( 0.000 4.519 0.000) 4.519 11.621 ( 0.000 19.655 0.000) 19.655 11.697 ( 0.000 18.334 0.000) 18.334 11.731 ( 0.000 11.562 0.000) 11.562 12.059 ( 0.000 12.204 0.000) 12.204 12.103 ( 0.000 13.681 0.000) 13.681 12.159 ( 0.000 -7.365 0.000) 7.365 12.441 ( 0.000 14.501 0.000) 14.501 12.451 ( 0.000 -9.893 0.000) 9.893 12.616 ( 0.000 1.295 0.000) 1.295 12.631 ( 0.000 2.664 0.000) 2.664 12.703 ( 0.000 12.613 0.000) 12.613 13.057 ( 0.000 4.959 0.000) 4.959 13.083 ( 0.000 -1.712 0.000) 1.712 13.393 ( 0.000 -0.108 0.000) 0.108 13.440 ( 0.000 8.857 0.000) 8.857 13.667 ( 0.000 -1.907 0.000) 1.907 13.754 ( 0.000 -0.768 0.000) 0.768 13.864 ( 0.000 0.697 0.000) 0.697 14.374 ( 0.000 -5.733 0.000) 5.733 14.857 ( 0.000 -8.196 0.000) 8.196 15.222 ( 0.000 -8.959 0.000) 8.959 15.309 ( 0.000 -18.802 0.000) 18.802 15.385 ( 0.000 -24.871 0.000) 24.871 15.548 ( 0.000 -18.543 0.000) 18.543 17.654 ( 0.000 -16.605 0.000) 16.605 17.695 ( 0.000 -3.441 0.000) 3.441 17.887 ( 0.000 -2.808 0.000) 2.808 18.413 ( 0.000 -22.546 0.000) 22.546 18.523 ( 0.000 -14.038 0.000) 14.038 18.547 ( 0.000 -22.492 0.000) 22.492 18.978 ( 0.000 -22.515 0.000) 22.515 19.246 ( 0.000 -16.432 0.000) 16.432 ======================= Grid point 21 (14/81) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 9.563 29.247 0.000) 30.771 3.527 ( 5.304 30.955 0.000) 31.406 4.090 ( 1.784 6.564 0.000) 6.802 4.095 ( -5.521 17.796 0.000) 18.633 4.455 ( 8.029 9.568 0.000) 12.490 4.591 ( -10.764 2.593 0.000) 11.072 4.743 ( 0.491 20.495 0.000) 20.501 4.923 ( -2.879 15.509 0.000) 15.774 4.960 ( 2.680 0.076 0.000) 2.681 5.338 ( -1.880 3.105 0.000) 3.629 5.455 ( -4.102 7.972 0.000) 8.966 5.711 ( -0.414 10.705 0.000) 10.713 5.840 ( 5.346 16.481 0.000) 17.327 6.068 ( -0.085 5.724 0.000) 5.725 6.304 ( 8.784 2.793 0.000) 9.217 6.455 ( -5.513 21.636 0.000) 22.327 6.552 ( 2.293 39.292 0.000) 39.359 6.571 ( -1.566 14.288 0.000) 14.374 6.626 ( 10.019 12.672 0.000) 16.155 6.658 ( -0.574 19.093 0.000) 19.102 6.876 ( 5.182 22.854 0.000) 23.434 6.903 ( -2.584 13.835 0.000) 14.074 7.208 ( 1.219 39.159 0.000) 39.178 7.224 ( -2.471 7.293 0.000) 7.700 7.388 ( 1.658 17.582 0.000) 17.660 7.454 ( -5.160 19.752 0.000) 20.415 7.800 ( -9.433 10.230 0.000) 13.916 8.075 ( -15.302 17.720 0.000) 23.413 8.263 ( 0.633 18.736 0.000) 18.747 8.281 ( 1.410 10.911 0.000) 11.001 8.377 ( -0.398 34.753 0.000) 34.755 8.559 ( 12.904 14.170 0.000) 19.165 8.680 ( 1.273 20.519 0.000) 20.558 8.751 ( -9.781 0.734 0.000) 9.808 8.971 ( -0.042 19.720 0.000) 19.720 9.200 ( 6.330 23.490 0.000) 24.328 9.382 ( 5.985 16.256 0.000) 17.323 9.436 ( -1.989 25.761 0.000) 25.837 9.481 ( -2.447 -2.783 0.000) 3.706 9.804 ( 9.544 11.556 0.000) 14.987 9.827 ( -3.833 0.876 0.000) 3.932 10.151 ( 1.487 -6.499 0.000) 6.667 10.272 ( -5.826 4.251 0.000) 7.212 10.312 ( -2.446 -6.393 0.000) 6.845 10.497 ( -2.206 9.580 0.000) 9.831 10.518 ( -3.222 -5.986 0.000) 6.798 10.642 ( 0.956 -0.521 0.000) 1.088 10.982 ( -3.905 -4.831 0.000) 6.212 11.010 ( 4.013 1.883 0.000) 4.432 11.170 ( -2.074 -3.744 0.000) 4.280 11.347 ( 4.527 7.497 0.000) 8.758 11.390 ( 1.837 2.706 0.000) 3.271 11.650 ( 2.319 14.695 0.000) 14.877 11.717 ( 3.329 17.720 0.000) 18.030 11.800 ( 5.148 12.498 0.000) 13.517 12.054 ( -0.773 11.075 0.000) 11.102 12.116 ( 0.180 12.215 0.000) 12.216 12.127 ( -2.686 -1.928 0.000) 3.306 12.431 ( -1.568 14.808 0.000) 14.891 12.442 ( 1.142 -1.716 0.000) 2.061 12.586 ( -0.873 -3.647 0.000) 3.750 12.666 ( 3.398 5.245 0.000) 6.249 12.767 ( 2.903 1.293 0.000) 3.178 13.043 ( -4.592 -2.391 0.000) 5.177 13.087 ( 2.965 3.348 0.000) 4.472 13.372 ( -3.207 5.628 0.000) 6.478 13.379 ( -0.532 1.587 0.000) 1.673 13.658 ( -7.819 2.586 0.000) 8.235 13.742 ( -3.171 0.881 0.000) 3.291 13.771 ( 0.706 -2.194 0.000) 2.305 14.509 ( 10.271 -5.169 0.000) 11.498 14.898 ( 3.126 -5.893 0.000) 6.671 15.217 ( -0.249 -9.734 0.000) 9.737 15.301 ( -0.758 -18.368 0.000) 18.384 15.322 ( -5.215 -23.073 0.000) 23.655 15.486 ( -5.418 -18.485 0.000) 19.262 17.658 ( -0.685 -5.876 0.000) 5.915 17.672 ( 1.407 -15.924 0.000) 15.986 18.073 ( 13.371 -2.922 0.000) 13.687 18.408 ( 0.073 -21.996 0.000) 21.996 18.449 ( -4.157 -15.306 0.000) 15.860 18.610 ( 3.421 -21.145 0.000) 21.419 18.937 ( -3.674 -22.383 0.000) 22.682 19.140 ( -9.495 -14.890 0.000) 17.660 ======================= Grid point 22 (15/81) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 18.103 22.447 0.000) 28.837 3.678 ( 8.064 25.590 0.000) 26.830 3.921 ( -8.250 21.277 0.000) 22.821 4.086 ( -13.470 9.940 0.000) 16.740 4.316 ( 0.750 11.842 0.000) 11.866 4.508 ( -8.544 3.569 0.000) 9.260 4.791 ( 6.156 26.005 0.000) 26.724 4.901 ( -2.759 17.475 0.000) 17.692 5.052 ( 7.963 0.319 0.000) 7.970 5.225 ( -7.104 0.747 0.000) 7.144 5.552 ( 11.379 3.996 0.000) 12.060 5.788 ( -1.003 5.277 0.000) 5.371 5.937 ( -3.992 8.793 0.000) 9.657 5.943 ( 3.844 13.979 0.000) 14.498 6.261 ( -8.045 20.807 0.000) 22.308 6.284 ( -9.550 14.603 0.000) 17.448 6.571 ( 9.005 10.770 0.000) 14.039 6.722 ( -1.971 16.662 0.000) 16.778 6.797 ( 11.088 26.068 0.000) 28.328 6.821 ( 5.782 12.216 0.000) 13.515 6.931 ( 3.956 15.191 0.000) 15.698 6.942 ( -1.260 18.527 0.000) 18.570 7.186 ( 5.405 6.984 0.000) 8.831 7.234 ( 2.744 11.843 0.000) 12.157 7.372 ( -4.025 20.798 0.000) 21.184 7.384 ( -1.384 39.301 0.000) 39.325 7.593 ( -7.848 18.478 0.000) 20.075 7.680 ( -18.212 9.736 0.000) 20.651 8.273 ( 1.410 31.418 0.000) 31.449 8.301 ( -0.277 21.304 0.000) 21.306 8.434 ( 4.903 24.040 0.000) 24.535 8.562 ( -7.166 11.711 0.000) 13.729 8.750 ( 4.581 19.990 0.000) 20.509 8.827 ( 3.501 16.009 0.000) 16.387 8.967 ( 7.408 14.239 0.000) 16.051 9.215 ( -7.150 35.842 0.000) 36.548 9.379 ( -2.852 -1.245 0.000) 3.112 9.394 ( -1.962 24.217 0.000) 24.296 9.557 ( 8.373 12.636 0.000) 15.158 9.714 ( -6.472 10.092 0.000) 11.989 10.026 ( 9.428 6.861 0.000) 11.660 10.152 ( -2.109 2.249 0.000) 3.083 10.207 ( 0.469 1.984 0.000) 2.038 10.255 ( -2.929 -4.904 0.000) 5.712 10.448 ( -1.603 2.895 0.000) 3.309 10.457 ( -2.106 -2.945 0.000) 3.620 10.727 ( 6.411 -5.947 0.000) 8.745 10.874 ( -6.421 -6.789 0.000) 9.345 11.065 ( 1.313 1.017 0.000) 1.661 11.105 ( -3.039 -0.796 0.000) 3.141 11.411 ( 1.412 3.672 0.000) 3.934 11.419 ( 0.660 -0.654 0.000) 0.929 11.749 ( 6.785 9.411 0.000) 11.602 11.813 ( 3.785 14.591 0.000) 15.074 11.912 ( 3.510 12.075 0.000) 12.574 11.997 ( -4.660 7.691 0.000) 8.993 12.063 ( -3.214 10.017 0.000) 10.520 12.074 ( -2.071 11.735 0.000) 11.917 12.467 ( 6.886 5.488 0.000) 8.805 12.501 ( 3.228 1.527 0.000) 3.570 12.566 ( -1.510 -0.397 0.000) 1.562 12.696 ( -10.164 -5.693 0.000) 11.650 12.793 ( 7.455 2.316 0.000) 7.806 12.927 ( -4.887 0.433 0.000) 4.906 13.197 ( 7.567 2.989 0.000) 8.136 13.360 ( 1.135 2.935 0.000) 3.147 13.377 ( -0.152 2.669 0.000) 2.673 13.407 ( -11.796 3.354 0.000) 12.263 13.735 ( 0.456 1.021 0.000) 1.118 13.761 ( -1.499 -2.559 0.000) 2.966 14.748 ( 11.170 -3.636 0.000) 11.747 14.922 ( -3.210 -1.490 0.000) 3.539 15.214 ( -0.298 -13.351 0.000) 13.354 15.219 ( -2.519 -20.741 0.000) 20.893 15.288 ( 0.465 -17.469 0.000) 17.475 15.355 ( -5.571 -17.323 0.000) 18.197 17.677 ( 1.625 -10.013 0.000) 10.144 17.695 ( 0.258 -13.743 0.000) 13.746 18.303 ( 4.648 -11.711 0.000) 12.599 18.367 ( -3.221 -15.075 0.000) 15.415 18.508 ( 12.084 -13.515 0.000) 18.129 18.682 ( 2.110 -19.745 0.000) 19.858 18.840 ( -4.709 -22.143 0.000) 22.638 18.881 ( -12.647 -13.803 0.000) 18.721 ======================= Grid point 25 (16/81) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 0.000 21.968 0.000) 21.968 4.016 ( 0.000 19.994 0.000) 19.994 4.237 ( 0.000 10.351 0.000) 10.351 4.396 ( 0.000 11.748 0.000) 11.748 4.606 ( 0.000 -1.894 0.000) 1.894 4.622 ( 0.000 6.286 0.000) 6.286 4.849 ( 0.000 -2.574 0.000) 2.574 5.190 ( 0.000 26.244 0.000) 26.244 5.319 ( 0.000 -1.938 0.000) 1.938 5.394 ( 0.000 19.700 0.000) 19.700 5.738 ( 0.000 9.448 0.000) 9.448 6.015 ( 0.000 9.816 0.000) 9.816 6.047 ( 0.000 4.436 0.000) 4.436 6.094 ( 0.000 10.544 0.000) 10.544 6.290 ( 0.000 13.702 0.000) 13.702 6.632 ( 0.000 0.384 0.000) 0.384 6.710 ( 0.000 2.067 0.000) 2.067 6.712 ( 0.000 3.708 0.000) 3.708 6.924 ( 0.000 2.748 0.000) 2.748 7.170 ( 0.000 11.740 0.000) 11.740 7.258 ( 0.000 21.639 0.000) 21.639 7.358 ( 0.000 4.540 0.000) 4.540 7.469 ( 0.000 24.080 0.000) 24.080 7.500 ( 0.000 10.264 0.000) 10.264 7.532 ( 0.000 6.127 0.000) 6.127 8.154 ( 0.000 19.502 0.000) 19.502 8.166 ( 0.000 -1.337 0.000) 1.337 8.171 ( 0.000 13.207 0.000) 13.207 8.457 ( 0.000 -0.957 0.000) 0.957 8.722 ( 0.000 -6.362 0.000) 6.362 8.767 ( 0.000 29.768 0.000) 29.768 8.841 ( 0.000 14.040 0.000) 14.040 8.917 ( 0.000 3.226 0.000) 3.226 9.057 ( 0.000 4.516 0.000) 4.516 9.129 ( 0.000 29.335 0.000) 29.335 9.245 ( 0.000 0.100 0.000) 0.100 9.429 ( 0.000 8.675 0.000) 8.675 9.634 ( 0.000 -4.938 0.000) 4.938 9.725 ( 0.000 16.761 0.000) 16.761 9.931 ( 0.000 15.422 0.000) 15.422 10.186 ( 0.000 16.360 0.000) 16.360 10.187 ( 0.000 -2.069 0.000) 2.069 10.377 ( 0.000 21.888 0.000) 21.888 10.400 ( 0.000 -9.204 0.000) 9.204 10.605 ( 0.000 30.311 0.000) 30.311 10.792 ( 0.000 9.256 0.000) 9.256 10.918 ( 0.000 -4.816 0.000) 4.816 10.952 ( 0.000 22.421 0.000) 22.421 11.006 ( 0.000 3.774 0.000) 3.774 11.069 ( 0.000 -4.387 0.000) 4.387 11.359 ( 0.000 -2.688 0.000) 2.688 11.437 ( 0.000 8.216 0.000) 8.216 11.822 ( 0.000 -7.386 0.000) 7.386 11.949 ( 0.000 11.962 0.000) 11.962 11.989 ( 0.000 9.863 0.000) 9.863 12.113 ( 0.000 3.414 0.000) 3.414 12.321 ( 0.000 6.707 0.000) 6.707 12.322 ( 0.000 13.410 0.000) 13.410 12.337 ( 0.000 4.869 0.000) 4.869 12.533 ( 0.000 3.956 0.000) 3.956 12.807 ( 0.000 12.835 0.000) 12.835 12.915 ( 0.000 18.923 0.000) 18.923 12.937 ( 0.000 10.379 0.000) 10.379 13.046 ( 0.000 -1.566 0.000) 1.566 13.166 ( 0.000 6.836 0.000) 6.836 13.455 ( 0.000 6.979 0.000) 6.979 13.588 ( 0.000 5.440 0.000) 5.440 13.702 ( 0.000 4.821 0.000) 4.821 13.756 ( 0.000 1.208 0.000) 1.208 13.913 ( 0.000 4.296 0.000) 4.296 14.213 ( 0.000 -9.490 0.000) 9.490 14.530 ( 0.000 -22.856 0.000) 22.856 14.989 ( 0.000 -12.694 0.000) 12.694 14.994 ( 0.000 -14.451 0.000) 14.451 15.081 ( 0.000 -5.754 0.000) 5.754 15.172 ( 0.000 -18.621 0.000) 18.621 17.342 ( 0.000 -13.896 0.000) 13.896 17.617 ( 0.000 -4.642 0.000) 4.642 17.814 ( 0.000 -4.908 0.000) 4.908 17.994 ( 0.000 -18.596 0.000) 18.596 18.116 ( 0.000 -20.208 0.000) 20.208 18.244 ( 0.000 -13.737 0.000) 13.737 18.558 ( 0.000 -19.525 0.000) 19.525 18.883 ( 0.000 -19.772 0.000) 19.772 ======================= Grid point 26 (17/81) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( 7.009 21.259 0.000) 22.385 4.037 ( 2.071 18.203 0.000) 18.320 4.236 ( 0.962 10.176 0.000) 10.222 4.407 ( -3.432 13.125 0.000) 13.566 4.548 ( -0.017 2.276 0.000) 2.276 4.596 ( -3.288 -1.168 0.000) 3.489 4.948 ( 5.177 -1.189 0.000) 5.312 5.221 ( 3.163 22.766 0.000) 22.984 5.285 ( -0.126 12.421 0.000) 12.421 5.363 ( -4.346 6.953 0.000) 8.199 5.676 ( -3.318 16.184 0.000) 16.521 5.929 ( -0.610 11.199 0.000) 11.216 6.094 ( 0.336 6.902 0.000) 6.910 6.150 ( -1.745 3.105 0.000) 3.562 6.368 ( 5.136 7.743 0.000) 9.292 6.682 ( -1.449 4.925 0.000) 5.134 6.699 ( 8.020 -2.323 0.000) 8.350 6.744 ( 1.958 5.494 0.000) 5.832 6.895 ( -1.387 4.952 0.000) 5.142 7.073 ( -4.463 9.961 0.000) 10.915 7.116 ( -13.913 7.625 0.000) 15.866 7.348 ( 4.819 17.287 0.000) 17.946 7.466 ( -2.382 16.074 0.000) 16.250 7.528 ( 7.962 14.086 0.000) 16.181 7.691 ( 4.018 15.018 0.000) 15.546 7.994 ( -9.086 11.749 0.000) 14.852 8.106 ( -4.616 17.182 0.000) 17.791 8.178 ( -19.386 -1.564 0.000) 19.449 8.411 ( 13.943 3.471 0.000) 14.368 8.647 ( -1.398 5.685 0.000) 5.854 8.849 ( 1.124 7.018 0.000) 7.108 8.910 ( 6.092 33.790 0.000) 34.335 9.032 ( 3.791 7.668 0.000) 8.553 9.114 ( -0.825 24.594 0.000) 24.608 9.122 ( 7.673 -9.260 0.000) 12.026 9.236 ( -0.571 10.907 0.000) 10.922 9.524 ( 8.943 7.365 0.000) 11.585 9.722 ( 6.949 -0.748 0.000) 6.989 9.806 ( 5.199 17.264 0.000) 18.029 9.978 ( 2.315 11.717 0.000) 11.944 10.095 ( -2.927 7.897 0.000) 8.422 10.244 ( -5.301 9.342 0.000) 10.741 10.296 ( 5.714 8.824 0.000) 10.513 10.436 ( -3.541 12.824 0.000) 13.304 10.582 ( -1.344 18.129 0.000) 18.179 10.710 ( -10.821 11.590 0.000) 15.856 10.807 ( -4.230 -4.874 0.000) 6.454 10.837 ( -3.242 16.836 0.000) 17.145 11.020 ( 0.563 0.958 0.000) 1.111 11.101 ( -0.900 -2.576 0.000) 2.728 11.389 ( 1.240 -1.551 0.000) 1.986 11.510 ( 4.930 9.481 0.000) 10.686 11.814 ( -0.941 -4.713 0.000) 4.806 11.995 ( 2.331 6.830 0.000) 7.217 12.037 ( 4.390 13.452 0.000) 14.151 12.058 ( -3.125 -0.119 0.000) 3.127 12.286 ( -3.169 6.183 0.000) 6.948 12.314 ( 0.424 10.605 0.000) 10.614 12.412 ( 5.375 6.429 0.000) 8.380 12.541 ( 1.198 2.725 0.000) 2.977 12.771 ( -7.855 16.605 0.000) 18.369 12.888 ( 3.467 12.116 0.000) 12.602 12.914 ( -4.884 8.882 0.000) 10.137 13.014 ( -1.028 1.162 0.000) 1.552 13.164 ( 0.405 5.776 0.000) 5.790 13.460 ( -6.745 3.021 0.000) 7.391 13.475 ( 1.635 8.518 0.000) 8.673 13.750 ( -5.622 6.819 0.000) 8.838 13.755 ( -0.259 0.673 0.000) 0.721 13.810 ( -1.304 4.784 0.000) 4.959 14.350 ( 10.297 -9.732 0.000) 14.169 14.626 ( 7.870 -19.987 0.000) 21.481 14.962 ( -3.234 -12.796 0.000) 13.198 14.982 ( -0.816 -13.032 0.000) 13.057 15.064 ( -1.494 -6.303 0.000) 6.478 15.121 ( -4.204 -17.716 0.000) 18.208 17.371 ( 2.425 -13.562 0.000) 13.777 17.540 ( -3.830 -6.213 0.000) 7.298 17.979 ( 5.057 -10.109 0.000) 11.303 18.011 ( 8.045 -13.740 0.000) 15.922 18.120 ( -0.513 -17.503 0.000) 17.510 18.234 ( 0.175 -16.017 0.000) 16.018 18.519 ( -3.502 -19.370 0.000) 19.684 18.809 ( -6.843 -18.195 0.000) 19.439 ======================= Grid point 27 (18/81) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.013 ( 11.275 17.252 0.000) 20.610 4.107 ( 3.877 16.455 0.000) 16.906 4.254 ( -2.972 8.019 0.000) 8.552 4.267 ( -6.676 12.790 0.000) 14.427 4.487 ( -1.644 5.685 0.000) 5.918 4.560 ( -3.176 2.871 0.000) 4.281 5.053 ( 6.576 -0.186 0.000) 6.578 5.221 ( -7.953 -0.808 0.000) 7.994 5.307 ( 3.404 21.928 0.000) 22.191 5.325 ( 1.638 22.958 0.000) 23.017 5.703 ( 7.046 14.172 0.000) 15.827 5.929 ( -9.346 9.401 0.000) 13.256 6.011 ( 1.618 0.688 0.000) 1.758 6.095 ( -1.676 1.924 0.000) 2.551 6.427 ( 1.297 4.538 0.000) 4.720 6.538 ( -8.997 7.190 0.000) 11.517 6.788 ( 3.664 11.070 0.000) 11.661 6.895 ( -4.735 6.793 0.000) 8.280 6.953 ( 4.887 2.480 0.000) 5.480 7.032 ( -1.409 1.372 0.000) 1.967 7.047 ( 18.286 -1.859 0.000) 18.381 7.364 ( -5.919 5.593 0.000) 8.144 7.488 ( 4.797 26.591 0.000) 27.021 7.582 ( -2.945 26.304 0.000) 26.469 7.747 ( -4.907 17.814 0.000) 18.477 7.764 ( -13.653 9.071 0.000) 16.392 7.856 ( 4.246 6.603 0.000) 7.850 8.000 ( -6.377 12.235 0.000) 13.797 8.627 ( 3.788 10.762 0.000) 11.409 8.640 ( 0.454 8.102 0.000) 8.115 8.934 ( 6.496 -8.320 0.000) 10.555 8.998 ( 0.909 9.137 0.000) 9.182 9.113 ( 4.967 28.615 0.000) 29.043 9.126 ( 2.840 17.104 0.000) 17.338 9.207 ( -2.660 28.649 0.000) 28.772 9.213 ( -1.247 -0.838 0.000) 1.503 9.762 ( 9.588 6.290 0.000) 11.467 9.832 ( 0.536 11.492 0.000) 11.505 9.863 ( 3.156 19.651 0.000) 19.903 9.979 ( -1.027 10.107 0.000) 10.159 10.093 ( 2.257 0.377 0.000) 2.289 10.217 ( -2.439 5.485 0.000) 6.003 10.285 ( -3.375 10.266 0.000) 10.807 10.372 ( -3.951 16.770 0.000) 17.229 10.506 ( -0.372 4.765 0.000) 4.779 10.566 ( -1.659 10.583 0.000) 10.712 10.775 ( 0.256 6.329 0.000) 6.334 10.799 ( -1.529 13.774 0.000) 13.858 11.039 ( 0.761 -2.537 0.000) 2.649 11.057 ( -1.717 -3.372 0.000) 3.783 11.423 ( 3.211 0.619 0.000) 3.270 11.525 ( -4.336 7.214 0.000) 8.417 11.828 ( 4.250 -4.111 0.000) 5.913 11.969 ( -6.247 -3.838 0.000) 7.332 12.049 ( 1.644 1.312 0.000) 2.103 12.080 ( -0.826 10.310 0.000) 10.343 12.280 ( 3.732 12.142 0.000) 12.703 12.325 ( -0.012 11.324 0.000) 11.324 12.537 ( 5.454 5.058 0.000) 7.438 12.580 ( 2.519 4.034 0.000) 4.756 12.632 ( -3.647 9.679 0.000) 10.343 12.727 ( -9.904 6.767 0.000) 11.995 12.971 ( 3.112 13.009 0.000) 13.377 13.011 ( -0.588 8.377 0.000) 8.398 13.211 ( 4.195 -0.881 0.000) 4.287 13.326 ( -6.124 -2.563 0.000) 6.639 13.514 ( 2.209 11.021 0.000) 11.240 13.593 ( -5.705 11.774 0.000) 13.083 13.757 ( 0.872 1.670 0.000) 1.884 13.792 ( -1.928 3.736 0.000) 4.204 14.596 ( 12.022 -10.663 0.000) 16.069 14.806 ( 7.754 -16.854 0.000) 18.552 14.832 ( -9.015 -10.461 0.000) 13.809 14.937 ( -3.989 -13.932 0.000) 14.492 15.033 ( -0.818 -8.562 0.000) 8.601 15.044 ( -2.075 -13.405 0.000) 13.565 17.430 ( 2.718 -12.329 0.000) 12.625 17.481 ( -2.186 -9.561 0.000) 9.808 18.007 ( 1.863 -15.258 0.000) 15.371 18.069 ( -3.497 -14.379 0.000) 14.798 18.291 ( 4.588 -18.499 0.000) 19.060 18.295 ( 12.616 -10.192 0.000) 16.219 18.427 ( -3.636 -18.963 0.000) 19.308 18.604 ( -11.874 -14.643 0.000) 18.852 ======================= Grid point 30 (19/81) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( 0.000 14.877 0.000) 14.877 4.243 ( 0.000 6.461 0.000) 6.461 4.530 ( 0.000 15.499 0.000) 15.499 4.566 ( 0.000 -2.240 0.000) 2.240 4.573 ( 0.000 5.652 0.000) 5.652 4.709 ( 0.000 2.999 0.000) 2.999 4.796 ( 0.000 -2.509 0.000) 2.509 5.247 ( 0.000 -4.921 0.000) 4.921 5.679 ( 0.000 20.680 0.000) 20.680 5.788 ( 0.000 17.915 0.000) 17.915 5.992 ( 0.000 15.470 0.000) 15.470 6.176 ( 0.000 9.661 0.000) 9.661 6.184 ( 0.000 4.438 0.000) 4.438 6.194 ( 0.000 8.142 0.000) 8.142 6.549 ( 0.000 -6.898 0.000) 6.898 6.668 ( 0.000 -6.350 0.000) 6.350 6.745 ( 0.000 26.701 0.000) 26.701 6.779 ( 0.000 3.258 0.000) 3.258 6.909 ( 0.000 -4.081 0.000) 4.081 7.137 ( 0.000 -6.577 0.000) 6.577 7.418 ( 0.000 3.823 0.000) 3.823 7.561 ( 0.000 6.550 0.000) 6.550 7.600 ( 0.000 0.607 0.000) 0.607 7.784 ( 0.000 5.765 0.000) 5.765 7.804 ( 0.000 13.632 0.000) 13.632 8.165 ( 0.000 1.480 0.000) 1.480 8.386 ( 0.000 -2.825 0.000) 2.825 8.403 ( 0.000 4.481 0.000) 4.481 8.407 ( 0.000 8.316 0.000) 8.316 8.542 ( 0.000 -7.862 0.000) 7.862 8.557 ( 0.000 -8.936 0.000) 8.936 8.762 ( 0.000 -16.940 0.000) 16.940 9.071 ( 0.000 0.087 0.000) 0.087 9.334 ( 0.000 10.317 0.000) 10.317 9.466 ( 0.000 6.602 0.000) 6.602 9.617 ( 0.000 8.108 0.000) 8.108 9.643 ( 0.000 7.413 0.000) 7.413 9.755 ( 0.000 -4.507 0.000) 4.507 9.826 ( 0.000 25.655 0.000) 25.655 10.013 ( 0.000 -2.654 0.000) 2.654 10.354 ( 0.000 12.643 0.000) 12.643 10.518 ( 0.000 24.514 0.000) 24.514 10.536 ( 0.000 15.672 0.000) 15.672 10.676 ( 0.000 10.480 0.000) 10.480 10.887 ( 0.000 0.579 0.000) 0.579 10.938 ( 0.000 6.951 0.000) 6.951 10.967 ( 0.000 1.072 0.000) 1.072 11.192 ( 0.000 1.255 0.000) 1.255 11.203 ( 0.000 13.837 0.000) 13.837 11.262 ( 0.000 22.210 0.000) 22.210 11.432 ( 0.000 10.021 0.000) 10.021 11.546 ( 0.000 -16.395 0.000) 16.395 11.659 ( 0.000 13.920 0.000) 13.920 12.069 ( 0.000 -3.930 0.000) 3.930 12.134 ( 0.000 6.981 0.000) 6.981 12.180 ( 0.000 9.700 0.000) 9.700 12.446 ( 0.000 7.802 0.000) 7.802 12.566 ( 0.000 10.168 0.000) 10.168 12.601 ( 0.000 11.848 0.000) 11.848 12.675 ( 0.000 8.829 0.000) 8.829 12.949 ( 0.000 0.919 0.000) 0.919 13.067 ( 0.000 5.494 0.000) 5.494 13.105 ( 0.000 6.327 0.000) 6.327 13.186 ( 0.000 4.224 0.000) 4.224 13.443 ( 0.000 18.944 0.000) 18.944 13.660 ( 0.000 13.602 0.000) 13.602 13.682 ( 0.000 5.039 0.000) 5.039 13.799 ( 0.000 2.326 0.000) 2.326 13.813 ( 0.000 4.742 0.000) 4.742 14.020 ( 0.000 5.883 0.000) 5.883 14.063 ( 0.000 -2.933 0.000) 2.933 14.116 ( 0.000 -13.667 0.000) 13.667 14.734 ( 0.000 -12.433 0.000) 12.433 14.806 ( 0.000 -5.954 0.000) 5.954 14.819 ( 0.000 -16.400 0.000) 16.400 14.969 ( 0.000 -5.736 0.000) 5.736 17.132 ( 0.000 -6.294 0.000) 6.294 17.492 ( 0.000 -7.976 0.000) 7.976 17.684 ( 0.000 -7.938 0.000) 7.938 17.711 ( 0.000 -8.978 0.000) 8.978 17.753 ( 0.000 -15.893 0.000) 15.893 17.982 ( 0.000 -12.228 0.000) 12.228 18.194 ( 0.000 -16.995 0.000) 16.995 18.463 ( 0.000 -21.895 0.000) 21.895 ======================= Grid point 31 (20/81) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.154 ( 5.166 13.838 0.000) 14.770 4.240 ( 0.673 5.957 0.000) 5.995 4.518 ( -1.560 12.994 0.000) 13.087 4.564 ( -0.170 -0.360 0.000) 0.398 4.570 ( -5.352 0.640 0.000) 5.390 4.618 ( 0.689 7.463 0.000) 7.495 4.914 ( 6.263 -2.166 0.000) 6.627 5.249 ( -0.681 -5.154 0.000) 5.199 5.598 ( -3.941 15.942 0.000) 16.422 5.751 ( -1.035 19.777 0.000) 19.804 6.067 ( 4.691 15.565 0.000) 16.256 6.126 ( -5.307 6.833 0.000) 8.652 6.191 ( -0.967 10.262 0.000) 10.307 6.252 ( 0.357 9.942 0.000) 9.949 6.521 ( -6.574 1.763 0.000) 6.806 6.569 ( 5.364 -8.659 0.000) 10.186 6.768 ( -1.601 2.896 0.000) 3.309 6.865 ( 4.966 6.007 0.000) 7.794 6.926 ( 2.748 -1.239 0.000) 3.014 7.106 ( -1.652 3.609 0.000) 3.969 7.236 ( -11.146 5.501 0.000) 12.429 7.548 ( -2.657 2.685 0.000) 3.777 7.661 ( 10.321 2.747 0.000) 10.680 7.825 ( 2.050 13.621 0.000) 13.774 7.976 ( 5.317 10.622 0.000) 11.879 8.161 ( -10.860 2.845 0.000) 11.226 8.199 ( -0.868 4.400 0.000) 4.485 8.326 ( -7.129 6.602 0.000) 9.716 8.432 ( 7.889 -0.622 0.000) 7.914 8.616 ( 2.906 -2.436 0.000) 3.792 8.748 ( 11.527 -17.545 0.000) 20.993 8.752 ( -1.216 -12.322 0.000) 12.382 9.063 ( -0.478 0.997 0.000) 1.106 9.302 ( -2.871 6.312 0.000) 6.934 9.489 ( 1.988 5.955 0.000) 6.278 9.679 ( 5.642 6.661 0.000) 8.729 9.725 ( 8.149 5.341 0.000) 9.744 9.759 ( -0.697 3.222 0.000) 3.297 9.911 ( 8.004 15.215 0.000) 17.192 10.063 ( 2.563 1.375 0.000) 2.909 10.417 ( 5.463 15.975 0.000) 16.883 10.504 ( -1.390 21.663 0.000) 21.707 10.556 ( 2.269 13.896 0.000) 14.080 10.677 ( -13.620 7.191 0.000) 15.402 10.699 ( -0.153 10.554 0.000) 10.555 10.941 ( 4.483 0.693 0.000) 4.536 11.004 ( -11.838 12.813 0.000) 17.444 11.026 ( 1.078 2.800 0.000) 3.001 11.198 ( -4.407 10.348 0.000) 11.248 11.222 ( -5.244 18.633 0.000) 19.356 11.403 ( -1.343 4.039 0.000) 4.257 11.564 ( 1.402 -15.993 0.000) 16.055 11.751 ( 5.456 13.906 0.000) 14.938 12.016 ( -2.795 -3.304 0.000) 4.328 12.081 ( -5.304 4.327 0.000) 6.845 12.240 ( 2.517 6.768 0.000) 7.221 12.446 ( 1.292 9.968 0.000) 10.051 12.541 ( -1.436 11.686 0.000) 11.774 12.634 ( 2.819 9.569 0.000) 9.975 12.671 ( 0.296 8.772 0.000) 8.777 12.987 ( -0.627 0.966 0.000) 1.152 12.997 ( -5.052 3.486 0.000) 6.138 13.039 ( -5.839 4.566 0.000) 7.412 13.168 ( 4.161 9.900 0.000) 10.739 13.407 ( -3.185 17.530 0.000) 17.817 13.519 ( -10.619 4.161 0.000) 11.405 13.716 ( 3.511 14.932 0.000) 15.339 13.805 ( -0.313 4.628 0.000) 4.639 13.889 ( 2.411 3.811 0.000) 4.510 13.923 ( -4.740 8.251 0.000) 9.516 14.177 ( 7.855 -6.054 0.000) 9.917 14.262 ( 11.275 -13.154 0.000) 17.325 14.725 ( -2.176 -11.938 0.000) 12.135 14.786 ( -2.020 -6.757 0.000) 7.053 14.793 ( -1.055 -14.766 0.000) 14.804 14.941 ( -2.402 -6.178 0.000) 6.629 17.161 ( 2.540 -6.604 0.000) 7.076 17.407 ( -5.138 -6.720 0.000) 8.459 17.698 ( 1.041 -11.701 0.000) 11.747 17.784 ( 2.395 -15.446 0.000) 15.630 17.851 ( 10.251 -8.036 0.000) 13.025 17.954 ( -1.922 -12.176 0.000) 12.327 18.161 ( -3.024 -16.519 0.000) 16.794 18.420 ( -4.081 -20.326 0.000) 20.732 ======================= Grid point 32 (21/81) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( 6.843 10.168 0.000) 12.257 4.299 ( 4.777 5.003 0.000) 6.918 4.427 ( -6.726 3.885 0.000) 7.767 4.430 ( -6.055 6.122 0.000) 8.610 4.594 ( 2.777 7.293 0.000) 7.804 4.644 ( -0.659 5.511 0.000) 5.550 5.037 ( 6.083 -1.599 0.000) 6.289 5.177 ( -5.979 -3.473 0.000) 6.914 5.612 ( 5.651 11.288 0.000) 12.624 5.754 ( -3.038 18.016 0.000) 18.270 5.992 ( -1.240 0.823 0.000) 1.488 6.099 ( -6.412 6.137 0.000) 8.875 6.154 ( 2.726 20.997 0.000) 21.173 6.214 ( -2.772 16.701 0.000) 16.929 6.457 ( 1.213 -2.882 0.000) 3.127 6.568 ( -7.669 -4.080 0.000) 8.686 6.838 ( 8.721 -6.622 0.000) 10.950 6.927 ( 0.361 -3.426 0.000) 3.444 7.086 ( 8.949 5.146 0.000) 10.323 7.091 ( -0.097 13.348 0.000) 13.348 7.111 ( 1.189 10.121 0.000) 10.190 7.386 ( -12.608 -0.605 0.000) 12.623 7.896 ( 4.672 11.970 0.000) 12.850 7.902 ( 9.982 0.262 0.000) 9.985 8.006 ( -0.248 15.895 0.000) 15.897 8.018 ( -2.033 13.450 0.000) 13.603 8.080 ( -6.692 12.354 0.000) 14.050 8.152 ( -9.022 5.889 0.000) 10.774 8.661 ( 1.809 -3.869 0.000) 4.271 8.694 ( 4.671 -13.327 0.000) 14.122 8.726 ( 6.015 -2.658 0.000) 6.577 8.887 ( -1.422 -14.901 0.000) 14.969 9.091 ( 4.710 1.045 0.000) 4.825 9.212 ( -5.353 1.514 0.000) 5.563 9.567 ( 5.199 1.122 0.000) 5.319 9.684 ( -4.900 -2.008 0.000) 5.296 9.861 ( 9.277 11.315 0.000) 14.632 9.956 ( 11.450 4.688 0.000) 12.372 10.041 ( -4.223 7.337 0.000) 8.465 10.114 ( 7.023 7.148 0.000) 10.021 10.349 ( -9.904 13.574 0.000) 16.803 10.422 ( -7.034 18.569 0.000) 19.857 10.574 ( 6.620 20.398 0.000) 21.445 10.656 ( 4.986 9.649 0.000) 10.861 10.756 ( 2.559 10.025 0.000) 10.347 10.766 ( -7.307 18.173 0.000) 19.587 10.981 ( -5.065 -1.605 0.000) 5.313 10.992 ( -3.704 0.770 0.000) 3.783 11.108 ( 0.033 11.238 0.000) 11.238 11.126 ( -1.561 15.408 0.000) 15.486 11.438 ( 5.707 1.039 0.000) 5.801 11.585 ( -2.724 -8.753 0.000) 9.167 11.737 ( -0.483 5.093 0.000) 5.115 11.893 ( -10.883 -0.538 0.000) 10.896 12.090 ( 7.459 3.233 0.000) 8.129 12.222 ( -4.031 4.901 0.000) 6.346 12.501 ( 2.287 9.628 0.000) 9.896 12.524 ( -0.375 9.953 0.000) 9.960 12.710 ( 3.848 7.290 0.000) 8.244 12.720 ( 3.987 7.454 0.000) 8.453 12.842 ( -4.868 10.087 0.000) 11.201 12.877 ( -5.719 8.071 0.000) 9.892 13.114 ( 5.748 -2.008 0.000) 6.088 13.254 ( 3.523 11.460 0.000) 11.989 13.283 ( -10.148 2.435 0.000) 10.436 13.330 ( -3.617 16.263 0.000) 16.660 13.770 ( 2.092 11.471 0.000) 11.660 13.830 ( 2.450 7.724 0.000) 8.103 13.835 ( -3.764 10.491 0.000) 11.146 13.880 ( -1.987 6.333 0.000) 6.637 14.377 ( 9.729 -10.279 0.000) 14.154 14.485 ( 5.983 -12.902 0.000) 14.221 14.627 ( -3.720 -10.412 0.000) 11.056 14.709 ( -5.385 -8.513 0.000) 10.073 14.815 ( 2.406 -10.216 0.000) 10.495 14.878 ( -3.247 -7.536 0.000) 8.205 17.228 ( 3.550 -7.032 0.000) 7.878 17.309 ( -4.064 -6.905 0.000) 8.013 17.736 ( 2.585 -11.758 0.000) 12.039 17.796 ( -2.158 -13.047 0.000) 13.224 17.963 ( 3.703 -13.793 0.000) 14.282 18.056 ( 0.035 -13.887 0.000) 13.887 18.098 ( 5.596 -13.499 0.000) 14.613 18.290 ( -8.032 -16.542 0.000) 18.389 ======================= Grid point 35 (22/81) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.343 ( 0.000 10.368 0.000) 10.368 4.353 ( 0.000 4.920 0.000) 4.920 4.514 ( 0.000 -3.045 0.000) 3.045 4.609 ( 0.000 -2.044 0.000) 2.044 4.752 ( 0.000 1.418 0.000) 1.418 4.766 ( 0.000 -0.224 0.000) 0.224 4.795 ( 0.000 11.100 0.000) 11.100 5.131 ( 0.000 -6.571 0.000) 6.571 5.972 ( 0.000 9.880 0.000) 9.880 6.048 ( 0.000 8.843 0.000) 8.843 6.282 ( 0.000 7.787 0.000) 7.787 6.317 ( 0.000 0.331 0.000) 0.331 6.352 ( 0.000 11.350 0.000) 11.350 6.429 ( 0.000 -0.351 0.000) 0.351 6.464 ( 0.000 17.364 0.000) 17.364 6.501 ( 0.000 -5.224 0.000) 5.224 6.768 ( 0.000 -9.139 0.000) 9.139 6.834 ( 0.000 1.433 0.000) 1.433 7.033 ( 0.000 -2.745 0.000) 2.745 7.214 ( 0.000 11.466 0.000) 11.466 7.518 ( 0.000 1.210 0.000) 1.210 7.567 ( 0.000 3.802 0.000) 3.802 7.625 ( 0.000 8.077 0.000) 8.077 7.709 ( 0.000 -10.049 0.000) 10.049 7.975 ( 0.000 2.860 0.000) 2.860 8.194 ( 0.000 -4.603 0.000) 4.603 8.267 ( 0.000 -6.284 0.000) 6.284 8.351 ( 0.000 -6.587 0.000) 6.587 8.430 ( 0.000 -9.555 0.000) 9.555 8.450 ( 0.000 3.724 0.000) 3.724 8.486 ( 0.000 0.301 0.000) 0.301 8.633 ( 0.000 3.827 0.000) 3.827 9.091 ( 0.000 1.710 0.000) 1.710 9.378 ( 0.000 -19.125 0.000) 19.125 9.556 ( 0.000 10.572 0.000) 10.572 9.609 ( 0.000 8.150 0.000) 8.150 9.761 ( 0.000 3.229 0.000) 3.229 9.767 ( 0.000 7.312 0.000) 7.312 9.936 ( 0.000 -5.097 0.000) 5.097 10.021 ( 0.000 -2.949 0.000) 2.949 10.726 ( 0.000 3.646 0.000) 3.646 10.794 ( 0.000 -0.083 0.000) 0.083 10.807 ( 0.000 4.585 0.000) 4.585 10.910 ( 0.000 25.617 0.000) 25.617 11.022 ( 0.000 4.497 0.000) 4.497 11.029 ( 0.000 16.199 0.000) 16.199 11.113 ( 0.000 9.927 0.000) 9.927 11.231 ( 0.000 -12.639 0.000) 12.639 11.255 ( 0.000 5.047 0.000) 5.047 11.421 ( 0.000 7.187 0.000) 7.187 11.540 ( 0.000 0.537 0.000) 0.537 11.547 ( 0.000 5.484 0.000) 5.484 11.915 ( 0.000 9.608 0.000) 9.608 12.018 ( 0.000 -0.804 0.000) 0.804 12.309 ( 0.000 9.615 0.000) 9.615 12.338 ( 0.000 7.080 0.000) 7.080 12.609 ( 0.000 6.424 0.000) 6.424 12.694 ( 0.000 2.430 0.000) 2.430 12.702 ( 0.000 0.554 0.000) 0.554 12.834 ( 0.000 6.284 0.000) 6.284 12.935 ( 0.000 -1.044 0.000) 1.044 13.022 ( 0.000 -16.409 0.000) 16.409 13.206 ( 0.000 4.585 0.000) 4.585 13.241 ( 0.000 7.825 0.000) 7.825 13.747 ( 0.000 11.326 0.000) 11.326 13.788 ( 0.000 -0.104 0.000) 0.104 13.793 ( 0.000 4.867 0.000) 4.867 13.926 ( 0.000 4.692 0.000) 4.692 14.003 ( 0.000 17.893 0.000) 17.893 14.075 ( 0.000 6.805 0.000) 6.805 14.102 ( 0.000 3.774 0.000) 3.774 14.125 ( 0.000 3.809 0.000) 3.809 14.496 ( 0.000 -11.065 0.000) 11.065 14.524 ( 0.000 -13.248 0.000) 13.248 14.736 ( 0.000 -1.046 0.000) 1.046 14.857 ( 0.000 -5.259 0.000) 5.259 17.118 ( 0.000 4.981 0.000) 4.981 17.357 ( 0.000 -3.673 0.000) 3.673 17.487 ( 0.000 -10.819 0.000) 10.819 17.514 ( 0.000 -8.546 0.000) 8.546 17.618 ( 0.000 -0.994 0.000) 0.994 17.778 ( 0.000 -7.256 0.000) 7.256 17.883 ( 0.000 -13.739 0.000) 13.739 18.035 ( 0.000 -19.821 0.000) 19.821 ======================= Grid point 36 (23/81) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( -0.092 4.670 0.000) 4.671 4.375 ( 2.453 8.553 0.000) 8.898 4.502 ( -1.267 -3.179 0.000) 3.422 4.561 ( -3.881 -1.521 0.000) 4.168 4.732 ( 0.764 4.273 0.000) 4.341 4.784 ( -0.717 11.017 0.000) 11.040 4.864 ( 5.649 -2.796 0.000) 6.304 5.127 ( -0.717 -6.881 0.000) 6.918 5.880 ( -6.259 12.383 0.000) 13.875 6.053 ( 1.238 9.979 0.000) 10.055 6.231 ( -0.399 7.673 0.000) 7.683 6.264 ( -11.816 9.085 0.000) 14.905 6.372 ( -3.908 -8.052 0.000) 8.950 6.386 ( 2.279 -8.750 0.000) 9.042 6.515 ( 0.589 4.784 0.000) 4.820 6.523 ( 5.127 13.711 0.000) 14.638 6.736 ( -4.983 -6.314 0.000) 8.043 6.899 ( 8.623 -0.760 0.000) 8.656 6.931 ( -1.239 7.627 0.000) 7.727 7.371 ( -4.130 8.344 0.000) 9.311 7.387 ( 7.390 11.062 0.000) 13.303 7.504 ( -5.468 2.285 0.000) 5.926 7.717 ( 7.620 2.912 0.000) 8.158 7.975 ( 0.133 1.162 0.000) 1.170 7.986 ( 14.995 -9.411 0.000) 17.704 8.203 ( 0.745 -1.494 0.000) 1.669 8.212 ( -3.025 -0.512 0.000) 3.068 8.369 ( -2.395 -3.512 0.000) 4.251 8.407 ( -0.771 -3.355 0.000) 3.443 8.471 ( 3.908 -4.250 0.000) 5.774 8.526 ( 2.543 -5.913 0.000) 6.437 8.627 ( -0.636 0.735 0.000) 0.972 9.104 ( 1.595 3.047 0.000) 3.439 9.430 ( 3.501 -17.399 0.000) 17.747 9.445 ( -6.559 7.662 0.000) 10.086 9.594 ( -4.154 3.466 0.000) 5.410 9.832 ( 6.303 6.995 0.000) 9.416 9.842 ( 8.982 6.288 0.000) 10.965 10.056 ( 7.817 -1.995 0.000) 8.068 10.069 ( 4.423 -2.059 0.000) 4.879 10.704 ( -1.513 3.188 0.000) 3.529 10.781 ( -1.349 1.436 0.000) 1.971 10.819 ( 0.587 4.497 0.000) 4.535 10.840 ( -7.608 12.346 0.000) 14.502 10.985 ( -1.902 19.991 0.000) 20.081 11.049 ( 0.230 13.083 0.000) 13.085 11.069 ( -2.710 1.070 0.000) 2.913 11.208 ( -4.057 7.685 0.000) 8.690 11.270 ( 3.411 -8.725 0.000) 9.368 11.352 ( -5.399 4.482 0.000) 7.017 11.459 ( -5.034 -0.385 0.000) 5.048 11.485 ( -5.154 6.067 0.000) 7.960 11.967 ( -3.182 3.966 0.000) 5.085 12.005 ( 6.527 4.892 0.000) 8.157 12.232 ( -6.970 9.948 0.000) 12.146 12.358 ( -0.003 5.615 0.000) 5.615 12.616 ( 0.963 5.878 0.000) 5.957 12.707 ( 0.538 4.045 0.000) 4.080 12.728 ( 2.356 1.116 0.000) 2.607 12.829 ( -0.264 5.747 0.000) 5.753 12.946 ( 0.762 -7.275 0.000) 7.314 12.987 ( -0.888 -3.651 0.000) 3.758 13.101 ( -5.724 6.475 0.000) 8.642 13.290 ( 0.538 0.989 0.000) 1.126 13.677 ( -4.859 11.201 0.000) 12.209 13.743 ( -1.322 13.709 0.000) 13.773 13.919 ( -0.457 5.777 0.000) 5.795 13.922 ( 6.306 -0.115 0.000) 6.307 14.030 ( 1.497 13.922 0.000) 14.002 14.058 ( -3.288 4.548 0.000) 5.612 14.140 ( 1.429 0.799 0.000) 1.637 14.160 ( 7.798 2.811 0.000) 8.290 14.486 ( -2.343 -11.402 0.000) 11.640 14.537 ( 2.875 -10.941 0.000) 11.313 14.705 ( -3.036 -1.346 0.000) 3.321 14.822 ( -3.089 -5.492 0.000) 6.301 17.134 ( 1.474 4.080 0.000) 4.338 17.311 ( -3.426 -1.657 0.000) 3.805 17.509 ( 0.270 -8.143 0.000) 8.148 17.514 ( 2.009 -11.759 0.000) 11.930 17.707 ( 6.465 -5.076 0.000) 8.219 17.762 ( -1.011 -6.201 0.000) 6.283 17.866 ( -1.521 -12.457 0.000) 12.550 18.023 ( -1.330 -18.298 0.000) 18.347 ======================= Grid point 37 (24/81) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.375 ( 3.187 3.105 0.000) 4.449 4.424 ( 1.962 3.884 0.000) 4.351 4.464 ( -1.954 -0.881 0.000) 2.143 4.466 ( -4.763 0.714 0.000) 4.816 4.765 ( 1.413 6.266 0.000) 6.424 4.776 ( -0.048 9.340 0.000) 9.340 4.983 ( 5.372 -3.869 0.000) 6.621 5.083 ( -3.602 -5.869 0.000) 6.886 5.822 ( 2.341 10.276 0.000) 10.540 5.980 ( -11.210 6.189 0.000) 12.805 6.125 ( 3.444 11.737 0.000) 12.232 6.204 ( -3.411 6.876 0.000) 7.676 6.305 ( 0.425 -10.021 0.000) 10.030 6.365 ( -3.873 -8.723 0.000) 9.544 6.505 ( -0.581 4.264 0.000) 4.303 6.524 ( -2.882 1.808 0.000) 3.402 6.799 ( 9.026 7.020 0.000) 11.434 6.931 ( -2.132 10.103 0.000) 10.326 7.130 ( 11.477 -0.682 0.000) 11.497 7.350 ( -8.830 -1.238 0.000) 8.917 7.372 ( 2.863 14.741 0.000) 15.016 7.438 ( -1.887 16.693 0.000) 16.799 7.887 ( 7.185 -2.247 0.000) 7.528 7.977 ( -0.846 -2.507 0.000) 2.646 8.157 ( 0.210 -3.608 0.000) 3.614 8.160 ( -1.655 1.037 0.000) 1.953 8.258 ( 3.860 9.355 0.000) 10.120 8.306 ( -2.162 8.319 0.000) 8.596 8.437 ( 4.065 -11.235 0.000) 11.948 8.515 ( -1.511 -12.975 0.000) 13.063 8.583 ( 2.764 -7.943 0.000) 8.410 8.619 ( -0.228 -6.265 0.000) 6.269 9.170 ( 4.671 5.432 0.000) 7.164 9.298 ( -6.932 6.185 0.000) 9.290 9.483 ( 1.485 -11.557 0.000) 11.652 9.518 ( -2.396 -3.693 0.000) 4.402 10.017 ( 9.638 6.169 0.000) 11.443 10.065 ( 10.191 6.266 0.000) 11.963 10.154 ( -0.831 3.347 0.000) 3.449 10.171 ( 2.371 0.472 0.000) 2.417 10.650 ( -5.632 11.897 0.000) 13.163 10.665 ( -3.403 5.370 0.000) 6.358 10.771 ( 2.991 0.014 0.000) 2.991 10.855 ( 0.625 0.876 0.000) 1.076 10.925 ( -3.242 4.728 0.000) 5.733 10.960 ( -5.016 6.268 0.000) 8.028 11.021 ( -0.504 5.658 0.000) 5.680 11.138 ( -10.028 5.865 0.000) 11.617 11.225 ( 2.435 4.595 0.000) 5.200 11.285 ( -2.639 3.105 0.000) 4.075 11.451 ( 2.322 -0.739 0.000) 2.437 11.457 ( 2.564 -0.279 0.000) 2.579 11.903 ( -0.061 10.834 0.000) 10.834 12.029 ( -10.298 12.991 0.000) 16.578 12.172 ( 7.695 2.887 0.000) 8.219 12.309 ( -4.695 3.095 0.000) 5.623 12.651 ( 2.223 5.568 0.000) 5.996 12.697 ( -1.581 6.317 0.000) 6.512 12.784 ( 2.324 0.936 0.000) 2.505 12.818 ( -0.963 1.365 0.000) 1.670 12.972 ( 1.453 3.003 0.000) 3.336 13.008 ( -2.652 5.217 0.000) 5.853 13.042 ( 6.171 -3.525 0.000) 7.106 13.210 ( -7.700 -3.977 0.000) 8.666 13.633 ( 1.119 18.180 0.000) 18.214 13.689 ( -3.252 16.854 0.000) 17.165 13.922 ( 1.123 6.295 0.000) 6.394 13.975 ( -3.661 5.650 0.000) 6.733 14.025 ( 2.738 3.728 0.000) 4.625 14.050 ( 0.164 8.984 0.000) 8.985 14.212 ( 5.155 -5.635 0.000) 7.638 14.296 ( 0.443 -6.465 0.000) 6.480 14.465 ( 3.852 -4.443 0.000) 5.881 14.604 ( -6.383 -1.842 0.000) 6.644 14.626 ( 4.995 -8.532 0.000) 9.887 14.734 ( -4.886 -6.500 0.000) 8.131 17.177 ( 2.491 2.321 0.000) 3.405 17.238 ( -3.209 0.530 0.000) 3.252 17.526 ( 1.122 -9.875 0.000) 9.938 17.542 ( 0.124 -12.380 0.000) 12.380 17.763 ( 1.485 -5.695 0.000) 5.885 17.809 ( -1.475 -9.178 0.000) 9.295 17.861 ( 5.160 -10.001 0.000) 11.253 17.968 ( -3.938 -14.631 0.000) 15.152 ======================= Grid point 40 (25/81) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 0.000 -4.059 0.000) 4.059 4.442 ( 0.000 4.059 0.000) 4.059 4.515 ( 0.000 -6.855 0.000) 6.855 4.515 ( 0.000 6.855 0.000) 6.855 4.767 ( 0.000 -0.143 0.000) 0.143 4.767 ( 0.000 0.143 0.000) 0.143 4.985 ( 0.000 -8.183 0.000) 8.183 4.985 ( 0.000 8.183 0.000) 8.183 6.163 ( 0.000 -10.310 0.000) 10.310 6.163 ( 0.000 10.310 0.000) 10.310 6.202 ( 0.000 -7.353 0.000) 7.353 6.202 ( 0.000 7.353 0.000) 7.353 6.525 ( 0.000 -3.050 0.000) 3.050 6.525 ( 0.000 3.050 0.000) 3.050 6.561 ( 0.000 -9.035 0.000) 9.035 6.561 ( 0.000 9.035 0.000) 9.035 6.772 ( 0.000 -9.147 0.000) 9.147 6.772 ( 0.000 9.147 0.000) 9.147 7.100 ( 0.000 -10.158 0.000) 10.158 7.100 ( 0.000 10.158 0.000) 10.158 7.534 ( 0.000 -4.516 0.000) 4.516 7.534 ( 0.000 4.516 0.000) 4.516 7.867 ( 0.000 -14.408 0.000) 14.408 7.867 ( 0.000 14.408 0.000) 14.408 7.907 ( 0.000 -17.154 0.000) 17.154 7.907 ( 0.000 17.155 0.000) 17.155 8.236 ( 0.000 -2.950 0.000) 2.950 8.236 ( 0.000 2.950 0.000) 2.950 8.444 ( 0.000 -3.864 0.000) 3.864 8.444 ( 0.000 3.864 0.000) 3.864 8.578 ( 0.000 -7.213 0.000) 7.213 8.578 ( 0.000 7.213 0.000) 7.213 9.143 ( 0.000 -4.737 0.000) 4.737 9.143 ( 0.000 4.737 0.000) 4.737 9.704 ( 0.000 -2.449 0.000) 2.449 9.704 ( 0.000 2.449 0.000) 2.449 9.818 ( 0.000 -5.537 0.000) 5.537 9.818 ( 0.000 5.537 0.000) 5.537 9.911 ( 0.000 -6.879 0.000) 6.879 9.911 ( 0.000 6.879 0.000) 6.879 10.762 ( 0.000 -1.506 0.000) 1.506 10.762 ( 0.000 1.506 0.000) 1.506 10.937 ( 0.000 -8.954 0.000) 8.954 10.937 ( 0.000 8.954 0.000) 8.954 11.100 ( 0.000 -2.223 0.000) 2.223 11.100 ( 0.000 2.223 0.000) 2.223 11.271 ( 0.000 -5.872 0.000) 5.872 11.271 ( 0.000 5.872 0.000) 5.872 11.470 ( 0.000 -13.285 0.000) 13.285 11.470 ( 0.000 13.285 0.000) 13.285 11.509 ( 0.000 -2.509 0.000) 2.509 11.509 ( 0.000 2.509 0.000) 2.509 12.015 ( 0.000 -1.035 0.000) 1.035 12.015 ( 0.000 1.036 0.000) 1.036 12.436 ( 0.000 -0.475 0.000) 0.475 12.436 ( 0.000 0.475 0.000) 0.475 12.702 ( 0.000 -0.233 0.000) 0.233 12.702 ( 0.000 0.233 0.000) 0.233 12.726 ( 0.000 -9.575 0.000) 9.575 12.726 ( 0.000 9.575 0.000) 9.575 12.915 ( 0.000 -1.802 0.000) 1.802 12.915 ( 0.000 1.802 0.000) 1.802 13.287 ( 0.000 -2.406 0.000) 2.406 13.287 ( 0.000 2.406 0.000) 2.406 13.827 ( 0.000 -1.736 0.000) 1.736 13.827 ( 0.000 1.736 0.000) 1.736 13.922 ( 0.000 -5.460 0.000) 5.460 13.922 ( 0.000 5.460 0.000) 5.460 14.151 ( 0.000 -0.885 0.000) 0.885 14.151 ( 0.000 0.885 0.000) 0.885 14.258 ( 0.000 -3.374 0.000) 3.374 14.258 ( 0.000 3.374 0.000) 3.374 14.306 ( 0.000 -2.484 0.000) 2.484 14.306 ( 0.000 2.484 0.000) 2.484 14.765 ( 0.000 -3.566 0.000) 3.566 14.765 ( 0.000 3.567 0.000) 3.567 17.289 ( 0.000 -10.070 0.000) 10.070 17.289 ( 0.000 10.070 0.000) 10.070 17.372 ( 0.000 -4.764 0.000) 4.764 17.372 ( 0.000 4.764 0.000) 4.764 17.672 ( 0.000 -6.739 0.000) 6.739 17.672 ( 0.000 6.739 0.000) 6.739 17.751 ( 0.000 -6.391 0.000) 6.391 17.751 ( 0.000 6.391 0.000) 6.391 ======================= Grid point 42 (26/81) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.430 ( -0.768 -3.978 0.000) 4.052 4.430 ( -0.768 3.978 0.000) 4.052 4.503 ( -1.197 -4.467 0.000) 4.624 4.503 ( -1.197 4.467 0.000) 4.624 4.804 ( 3.256 -3.179 0.000) 4.550 4.804 ( 3.256 3.179 0.000) 4.550 4.975 ( -0.860 -8.412 0.000) 8.456 4.975 ( -0.860 8.412 0.000) 8.456 6.118 ( -4.376 -12.113 0.000) 12.879 6.118 ( -4.376 12.113 0.000) 12.879 6.212 ( -0.052 -7.591 0.000) 7.591 6.212 ( -0.052 7.591 0.000) 7.591 6.443 ( -3.815 -9.060 0.000) 9.830 6.443 ( -3.815 9.060 0.000) 9.830 6.491 ( -7.240 -11.375 0.000) 13.484 6.491 ( -7.240 11.375 0.000) 13.484 6.815 ( 6.910 -8.571 0.000) 11.010 6.815 ( 6.910 8.571 0.000) 11.010 7.204 ( 5.347 -15.252 0.000) 16.162 7.204 ( 5.347 15.252 0.000) 16.162 7.589 ( 4.191 -13.132 0.000) 13.785 7.589 ( 4.191 13.132 0.000) 13.785 7.839 ( -2.008 -14.968 0.000) 15.102 7.839 ( -2.008 14.968 0.000) 15.102 8.014 ( 8.669 -11.653 0.000) 14.524 8.014 ( 8.669 11.653 0.000) 14.524 8.232 ( -0.346 -4.564 0.000) 4.577 8.232 ( -0.346 4.564 0.000) 4.577 8.444 ( -0.036 -4.366 0.000) 4.366 8.444 ( -0.036 4.366 0.000) 4.366 8.559 ( -1.742 -6.433 0.000) 6.665 8.559 ( -1.742 6.433 0.000) 6.665 9.191 ( 4.077 -6.648 0.000) 7.799 9.191 ( 4.077 6.648 0.000) 7.799 9.577 ( -7.433 -4.653 0.000) 8.770 9.577 ( -7.433 4.653 0.000) 8.770 9.972 ( 5.711 -6.540 0.000) 8.683 9.972 ( 5.711 6.540 0.000) 8.683 9.976 ( 10.001 -6.020 0.000) 11.673 9.976 ( 10.001 6.020 0.000) 11.673 10.748 ( -1.266 -2.314 0.000) 2.638 10.748 ( -1.266 2.314 0.000) 2.638 10.940 ( 0.061 -8.284 0.000) 8.285 10.940 ( 0.061 8.284 0.000) 8.285 11.021 ( -6.882 -5.638 0.000) 8.897 11.021 ( -6.882 5.638 0.000) 8.897 11.266 ( -2.436 -4.975 0.000) 5.539 11.266 ( -2.436 4.975 0.000) 5.539 11.403 ( -6.842 -3.523 0.000) 7.696 11.403 ( -6.842 3.523 0.000) 7.696 11.450 ( -1.472 -9.813 0.000) 9.923 11.450 ( -1.472 9.813 0.000) 9.923 12.037 ( 2.301 -2.738 0.000) 3.577 12.037 ( 2.301 2.739 0.000) 3.577 12.395 ( -3.954 -4.143 0.000) 5.727 12.395 ( -3.954 4.143 0.000) 5.727 12.732 ( 0.774 -8.230 0.000) 8.266 12.732 ( 0.774 8.230 0.000) 8.266 12.733 ( 2.329 -0.159 0.000) 2.334 12.733 ( 2.329 0.159 0.000) 2.334 12.937 ( 2.093 -3.017 0.000) 3.672 12.937 ( 2.093 3.017 0.000) 3.672 13.232 ( -4.617 -5.705 0.000) 7.339 13.232 ( -4.617 5.705 0.000) 7.340 13.870 ( 3.133 -6.197 0.000) 6.944 13.870 ( 3.133 6.198 0.000) 6.944 13.933 ( 0.585 -5.035 0.000) 5.069 13.933 ( 0.585 5.035 0.000) 5.069 14.125 ( -1.679 -2.489 0.000) 3.003 14.125 ( -1.679 2.489 0.000) 3.003 14.238 ( -1.915 -7.050 0.000) 7.305 14.238 ( -1.915 7.050 0.000) 7.305 14.353 ( 4.531 -6.245 0.000) 7.716 14.353 ( 4.531 6.245 0.000) 7.716 14.730 ( -3.277 -3.438 0.000) 4.749 14.730 ( -3.277 3.438 0.000) 4.749 17.295 ( 0.544 -10.440 0.000) 10.454 17.295 ( 0.544 10.440 0.000) 10.455 17.360 ( -1.031 -5.999 0.000) 6.087 17.360 ( -1.031 5.999 0.000) 6.087 17.694 ( 1.766 -4.158 0.000) 4.518 17.694 ( 1.766 4.158 0.000) 4.518 17.756 ( 0.328 -6.746 0.000) 6.754 17.756 ( 0.328 6.746 0.000) 6.754 ======================= Grid point 44 (27/81) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.429 ( 0.939 -2.326 0.000) 2.508 4.429 ( 0.939 2.326 0.000) 2.508 4.465 ( -2.103 -0.769 0.000) 2.239 4.465 ( -2.103 0.769 0.000) 2.239 4.886 ( 3.758 -5.656 0.000) 6.791 4.886 ( 3.758 5.656 0.000) 6.791 4.947 ( -1.944 -7.698 0.000) 7.939 4.947 ( -1.944 7.698 0.000) 7.939 6.045 ( -0.252 -12.209 0.000) 12.212 6.045 ( -0.252 12.209 0.000) 12.212 6.131 ( -6.826 -9.093 0.000) 11.370 6.131 ( -6.826 9.093 0.000) 11.370 6.396 ( -0.422 -10.514 0.000) 10.523 6.396 ( -0.422 10.514 0.000) 10.523 6.406 ( -0.666 -9.349 0.000) 9.372 6.406 ( -0.666 9.349 0.000) 9.372 7.024 ( 10.727 -9.994 0.000) 14.661 7.024 ( 10.727 9.994 0.000) 14.661 7.208 ( -5.228 -12.251 0.000) 13.320 7.208 ( -5.228 12.251 0.000) 13.320 7.692 ( 5.208 -16.081 0.000) 16.903 7.692 ( 5.208 16.081 0.000) 16.903 7.789 ( -3.294 -15.591 0.000) 15.935 7.789 ( -3.294 15.591 0.000) 15.935 8.191 ( 5.871 -8.739 0.000) 10.528 8.191 ( 5.871 8.739 0.000) 10.528 8.233 ( 0.388 -8.116 0.000) 8.126 8.233 ( 0.388 8.116 0.000) 8.126 8.448 ( 1.032 -6.753 0.000) 6.831 8.448 ( 1.032 6.753 0.000) 6.831 8.504 ( -3.334 -6.646 0.000) 7.436 8.504 ( -3.334 6.646 0.000) 7.436 9.295 ( 5.414 -7.357 0.000) 9.135 9.295 ( 5.414 7.357 0.000) 9.135 9.423 ( -6.720 -5.796 0.000) 8.874 9.423 ( -6.720 5.796 0.000) 8.874 10.131 ( 7.473 -4.517 0.000) 8.732 10.131 ( 7.473 4.517 0.000) 8.732 10.167 ( 5.575 -2.659 0.000) 6.177 10.167 ( 5.575 2.659 0.000) 6.177 10.724 ( 0.143 -2.663 0.000) 2.667 10.724 ( 0.143 2.663 0.000) 2.667 10.824 ( -8.744 -5.363 0.000) 10.258 10.824 ( -8.744 5.363 0.000) 10.258 10.970 ( 2.225 -4.367 0.000) 4.901 10.970 ( 2.225 4.367 0.000) 4.901 11.089 ( -9.397 -5.781 0.000) 11.033 11.089 ( -9.397 5.781 0.000) 11.033 11.378 ( 1.889 -6.663 0.000) 6.925 11.378 ( 1.889 6.663 0.000) 6.925 11.418 ( -1.606 -5.419 0.000) 5.652 11.418 ( -1.606 5.419 0.000) 5.652 12.123 ( 5.866 -8.357 0.000) 10.211 12.123 ( 5.866 8.357 0.000) 10.211 12.271 ( -7.192 -8.110 0.000) 10.840 12.271 ( -7.192 8.110 0.000) 10.840 12.760 ( 1.472 -5.591 0.000) 5.782 12.760 ( 1.472 5.592 0.000) 5.782 12.771 ( 0.768 -1.862 0.000) 2.014 12.771 ( 0.768 1.862 0.000) 2.014 13.004 ( 4.194 -1.091 0.000) 4.333 13.004 ( 4.193 1.091 0.000) 4.333 13.114 ( -5.867 -5.382 0.000) 7.962 13.114 ( -5.867 5.382 0.000) 7.962 13.919 ( 1.171 -9.895 0.000) 9.964 13.919 ( 1.171 9.895 0.000) 9.964 13.934 ( -0.415 -6.751 0.000) 6.764 13.934 ( -0.415 6.751 0.000) 6.764 14.123 ( 1.838 -5.290 0.000) 5.600 14.123 ( 1.838 5.290 0.000) 5.600 14.182 ( -3.108 -5.998 0.000) 6.755 14.182 ( -3.108 5.998 0.000) 6.755 14.484 ( 7.097 -5.270 0.000) 8.839 14.484 ( 7.097 5.270 0.000) 8.839 14.629 ( -6.064 -3.775 0.000) 7.143 14.629 ( -6.064 3.775 0.000) 7.143 17.311 ( 0.966 -10.125 0.000) 10.171 17.311 ( 0.966 10.125 0.000) 10.171 17.334 ( -1.208 -8.401 0.000) 8.487 17.334 ( -1.208 8.401 0.000) 8.487 17.734 ( 1.667 -1.841 0.000) 2.483 17.734 ( 1.667 1.841 0.000) 2.483 17.757 ( -0.449 -5.440 0.000) 5.459 17.757 ( -0.449 5.440 0.000) 5.459 ======================= Grid point 85 (28/81) ======================= q-point: ( 0.00 0.00 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 0.000 44.589) 44.589 0.860 ( 0.000 0.000 46.715) 46.715 1.525 ( 0.000 0.000 83.042) 83.042 2.963 ( 0.000 0.000 -23.345) 23.345 2.984 ( 0.000 0.000 -30.885) 30.885 3.293 ( 0.000 0.000 23.748) 23.748 3.603 ( 0.000 0.000 -0.279) 0.279 3.987 ( 0.000 0.000 -5.073) 5.073 3.990 ( 0.000 0.000 21.053) 21.053 4.084 ( 0.000 0.000 12.440) 12.440 4.278 ( 0.000 0.000 0.450) 0.450 4.452 ( 0.000 0.000 3.405) 3.405 4.461 ( 0.000 0.000 -6.231) 6.231 4.547 ( 0.000 0.000 3.135) 3.135 4.661 ( 0.000 0.000 -4.141) 4.141 4.934 ( 0.000 0.000 -0.560) 0.560 4.982 ( 0.000 0.000 -6.327) 6.327 5.061 ( 0.000 0.000 -10.851) 10.851 5.149 ( 0.000 0.000 -12.622) 12.622 5.440 ( 0.000 0.000 5.720) 5.720 5.454 ( 0.000 0.000 -16.440) 16.440 5.607 ( 0.000 0.000 -6.867) 6.867 5.706 ( 0.000 0.000 -2.290) 2.290 6.057 ( 0.000 0.000 -6.616) 6.616 6.177 ( 0.000 0.000 -9.556) 9.556 6.503 ( 0.000 0.000 -14.094) 14.094 6.628 ( 0.000 0.000 -12.057) 12.057 7.452 ( 0.000 0.000 24.971) 24.971 7.792 ( 0.000 0.000 12.856) 12.856 7.961 ( 0.000 0.000 4.078) 4.078 7.989 ( 0.000 0.000 -14.924) 14.924 8.215 ( 0.000 0.000 -1.199) 1.199 8.506 ( 0.000 0.000 -6.486) 6.486 8.674 ( 0.000 0.000 2.712) 2.712 8.806 ( 0.000 0.000 -1.438) 1.438 8.947 ( 0.000 0.000 2.323) 2.323 8.963 ( 0.000 0.000 2.019) 2.019 9.126 ( 0.000 0.000 17.142) 17.142 9.166 ( 0.000 0.000 13.427) 13.427 9.179 ( 0.000 0.000 -3.382) 3.382 9.202 ( 0.000 0.000 -4.647) 4.647 9.311 ( 0.000 0.000 3.541) 3.541 9.551 ( 0.000 0.000 3.769) 3.769 9.690 ( 0.000 0.000 -0.557) 0.557 10.267 ( 0.000 0.000 -6.667) 6.667 10.604 ( 0.000 0.000 0.336) 0.336 10.607 ( 0.000 0.000 1.287) 1.287 10.608 ( 0.000 0.000 6.789) 6.789 10.632 ( 0.000 0.000 -0.249) 0.249 10.684 ( 0.000 0.000 -0.611) 0.611 10.743 ( 0.000 0.000 -7.967) 7.967 11.000 ( 0.000 0.000 6.951) 6.951 11.028 ( 0.000 0.000 -2.226) 2.226 11.180 ( 0.000 0.000 -1.536) 1.536 11.262 ( 0.000 0.000 6.333) 6.333 11.487 ( 0.000 0.000 0.564) 0.564 11.540 ( 0.000 0.000 -0.760) 0.760 11.740 ( 0.000 0.000 -7.454) 7.454 12.158 ( 0.000 0.000 -23.047) 23.047 12.514 ( 0.000 0.000 -9.670) 9.670 12.611 ( 0.000 0.000 19.175) 19.175 13.031 ( 0.000 0.000 5.117) 5.117 13.233 ( 0.000 0.000 0.009) 0.009 13.235 ( 0.000 0.000 -0.047) 0.047 13.244 ( 0.000 0.000 9.156) 9.156 13.272 ( 0.000 0.000 0.056) 0.056 13.276 ( 0.000 0.000 -0.060) 0.060 13.658 ( 0.000 0.000 -5.616) 5.616 13.924 ( 0.000 0.000 -2.487) 2.487 13.966 ( 0.000 0.000 2.512) 2.512 14.507 ( 0.000 0.000 2.218) 2.218 14.649 ( 0.000 0.000 -3.780) 3.780 15.919 ( 0.000 0.000 -1.765) 1.765 16.247 ( 0.000 0.000 -15.263) 15.263 16.590 ( 0.000 0.000 14.503) 14.503 16.899 ( 0.000 0.000 9.949) 9.949 17.811 ( 0.000 0.000 -0.728) 0.728 18.053 ( 0.000 0.000 -12.207) 12.207 18.659 ( 0.000 0.000 8.630) 8.630 18.866 ( 0.000 0.000 -2.970) 2.970 19.284 ( 0.000 0.000 3.208) 3.208 19.720 ( 0.000 0.000 -5.155) 5.155 20.462 ( 0.000 0.000 7.968) 7.968 20.991 ( 0.000 0.000 -5.941) 5.941 ======================= Grid point 86 (29/81) ======================= q-point: ( 0.20 0.00 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 30.607 0.000 31.142) 43.665 1.321 ( 33.603 0.000 31.077) 45.771 2.101 ( 48.628 0.000 55.427) 73.735 3.012 ( 2.520 0.000 -23.707) 23.840 3.031 ( 4.438 0.000 -16.917) 17.490 3.294 ( -10.439 0.000 18.066) 20.866 3.354 ( -19.524 0.000 -1.664) 19.595 3.862 ( -10.119 0.000 -6.697) 12.135 3.914 ( -7.017 0.000 18.667) 19.942 4.057 ( 0.577 0.000 9.834) 9.851 4.315 ( -0.985 0.000 -1.700) 1.965 4.457 ( -3.052 0.000 -6.107) 6.827 4.478 ( 1.679 0.000 1.396) 2.183 4.572 ( 0.873 0.000 1.736) 1.943 4.738 ( 7.928 0.000 0.427) 7.939 4.830 ( -9.742 0.000 -2.014) 9.948 5.002 ( -3.273 0.000 -19.614) 19.886 5.015 ( 2.032 0.000 -2.918) 3.556 5.257 ( 12.172 0.000 -6.888) 13.985 5.372 ( 7.030 0.000 -11.646) 13.603 5.453 ( 1.379 0.000 3.852) 4.091 5.677 ( -2.644 0.000 -2.172) 3.422 5.867 ( 10.920 0.000 0.379) 10.927 6.148 ( 6.077 0.000 -13.453) 14.762 6.387 ( -4.109 0.000 -12.150) 12.826 6.465 ( 14.353 0.000 -12.912) 19.306 6.824 ( 7.997 0.000 -17.902) 19.607 7.259 ( -11.543 0.000 5.373) 12.732 7.658 ( -13.845 0.000 6.643) 15.356 7.771 ( -4.748 0.000 4.753) 6.719 8.034 ( -10.971 0.000 3.449) 11.500 8.175 ( 3.130 0.000 -7.104) 7.763 8.313 ( -19.579 0.000 -0.143) 19.580 8.627 ( -4.651 0.000 -4.536) 6.496 8.782 ( 2.035 0.000 0.413) 2.077 8.865 ( -8.430 0.000 0.134) 8.431 8.939 ( -0.658 0.000 2.244) 2.339 8.952 ( -0.919 0.000 2.140) 2.329 9.080 ( -4.566 0.000 16.111) 16.746 9.149 ( -1.715 0.000 -3.256) 3.680 9.180 ( -1.834 0.000 -3.992) 4.393 9.517 ( 11.245 0.000 21.498) 24.262 9.646 ( 7.932 0.000 3.041) 8.495 9.774 ( 7.029 0.000 -0.634) 7.058 10.236 ( -28.272 0.000 8.435) 29.504 10.407 ( -10.079 0.000 1.154) 10.145 10.433 ( -11.479 0.000 13.932) 18.052 10.478 ( -9.171 0.000 -0.681) 9.196 10.690 ( 22.372 0.000 -11.237) 25.035 10.753 ( 5.409 0.000 0.537) 5.436 10.785 ( 4.302 0.000 -0.264) 4.310 11.136 ( 5.973 0.000 -4.452) 7.449 11.259 ( 11.315 0.000 1.281) 11.388 11.320 ( 10.897 0.000 -1.133) 10.956 11.412 ( 7.981 0.000 3.877) 8.873 11.492 ( 0.521 0.000 0.437) 0.680 11.535 ( -0.403 0.000 -0.633) 0.750 11.878 ( 10.058 0.000 -13.962) 17.208 12.076 ( -4.321 0.000 -10.263) 11.136 12.460 ( 1.871 0.000 -16.698) 16.802 12.683 ( 3.260 0.000 12.040) 12.474 13.125 ( -6.212 0.000 4.404) 7.614 13.213 ( 1.986 0.000 7.808) 8.057 13.236 ( 0.291 0.000 0.022) 0.292 13.239 ( 0.376 0.000 -0.066) 0.382 13.268 ( -0.371 0.000 0.065) 0.377 13.273 ( -0.338 0.000 -0.064) 0.344 13.539 ( -7.715 0.000 5.768) 9.633 13.850 ( 3.252 0.000 -5.102) 6.050 14.017 ( 2.286 0.000 -1.773) 2.893 14.576 ( 5.330 0.000 1.706) 5.596 14.666 ( 1.987 0.000 0.482) 2.045 15.951 ( 2.860 0.000 -0.748) 2.957 16.220 ( -1.533 0.000 -12.123) 12.220 16.476 ( -9.595 0.000 11.606) 15.058 16.720 ( -13.588 0.000 7.264) 15.408 17.994 ( 12.501 0.000 -1.897) 12.644 18.139 ( 7.091 0.000 -10.313) 12.516 18.617 ( -2.428 0.000 8.239) 8.589 18.885 ( -3.582 0.000 -1.621) 3.932 19.361 ( 8.124 0.000 -2.459) 8.488 19.800 ( 6.310 0.000 -6.212) 8.854 20.355 ( -23.561 0.000 17.339) 29.253 20.383 ( -14.686 0.000 11.045) 18.376 ======================= Grid point 87 (30/81) ======================= q-point: ( 0.40 0.00 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 35.198 0.000 18.058) 39.560 2.047 ( 33.793 0.000 26.971) 43.236 2.696 ( -31.012 0.000 11.363) 33.029 2.725 ( -28.161 0.000 21.500) 35.430 3.195 ( 31.435 0.000 4.451) 31.748 3.312 ( 11.700 0.000 -19.418) 22.670 3.406 ( 37.876 0.000 9.292) 38.999 3.596 ( -13.845 0.000 -12.382) 18.574 3.645 ( -14.782 0.000 2.816) 15.048 4.121 ( 4.721 0.000 5.736) 7.429 4.234 ( -5.355 0.000 1.192) 5.486 4.359 ( -16.520 0.000 -2.511) 16.710 4.524 ( 2.211 0.000 -0.447) 2.255 4.563 ( -1.332 0.000 -0.749) 1.528 4.621 ( -12.611 0.000 10.536) 16.434 4.673 ( -16.512 0.000 -3.547) 16.889 4.920 ( 7.389 0.000 3.310) 8.097 5.022 ( -2.032 0.000 2.018) 2.864 5.508 ( 3.779 0.000 0.202) 3.784 5.518 ( 9.196 0.000 -3.465) 9.827 5.566 ( 5.426 0.000 -0.936) 5.506 5.599 ( -4.354 0.000 -1.642) 4.654 6.009 ( 8.149 0.000 -10.173) 13.035 6.133 ( -4.527 0.000 -5.154) 6.860 6.587 ( 17.263 0.000 -36.332) 40.225 6.760 ( 4.864 0.000 -20.613) 21.179 6.978 ( 12.563 0.000 -5.337) 13.650 7.160 ( -1.921 0.000 -5.005) 5.361 7.382 ( -7.398 0.000 -4.238) 8.526 7.556 ( -18.770 0.000 -1.247) 18.812 7.673 ( -7.610 0.000 2.828) 8.118 7.860 ( -21.414 0.000 -1.429) 21.462 8.321 ( 11.346 0.000 7.049) 13.358 8.585 ( -8.484 0.000 -10.746) 13.691 8.726 ( 3.988 0.000 -3.397) 5.239 8.844 ( -2.197 0.000 -11.169) 11.383 8.926 ( -0.291 0.000 2.130) 2.149 8.932 ( -0.770 0.000 2.140) 2.275 9.101 ( 8.610 0.000 28.456) 29.730 9.129 ( -0.050 0.000 -3.125) 3.126 9.143 ( -1.304 0.000 -3.362) 3.606 9.431 ( -19.216 0.000 30.736) 36.249 9.845 ( 9.530 0.000 2.201) 9.781 9.930 ( 4.848 0.000 0.056) 4.848 9.991 ( 6.830 0.000 13.409) 15.048 10.193 ( -10.514 0.000 17.148) 20.115 10.209 ( -6.108 0.000 0.799) 6.160 10.276 ( -9.000 0.000 -0.772) 9.033 10.834 ( 2.143 0.000 0.241) 2.157 10.844 ( 1.186 0.000 -0.015) 1.186 11.097 ( 14.489 0.000 -2.850) 14.767 11.242 ( 1.632 0.000 3.115) 3.517 11.370 ( 3.104 0.000 -8.242) 8.807 11.480 ( -2.892 0.000 -0.673) 2.969 11.507 ( 0.780 0.000 0.107) 0.787 11.523 ( -0.707 0.000 -0.302) 0.769 11.593 ( 12.686 0.000 4.721) 13.536 11.811 ( -8.362 0.000 -5.098) 9.794 12.280 ( 12.123 0.000 -16.787) 20.707 12.448 ( -4.435 0.000 -10.862) 11.732 12.762 ( 5.506 0.000 -0.889) 5.578 12.930 ( -10.420 0.000 0.341) 10.425 13.245 ( 0.515 0.000 0.028) 0.515 13.249 ( 0.505 0.000 -0.114) 0.517 13.250 ( 6.918 0.000 11.692) 13.585 13.258 ( -0.493 0.000 0.099) 0.503 13.263 ( -0.552 0.000 -0.057) 0.555 13.434 ( -7.361 0.000 10.648) 12.945 13.955 ( 5.332 0.000 -11.860) 13.004 14.034 ( -1.436 0.000 -7.418) 7.556 14.685 ( 4.621 0.000 2.755) 5.379 14.728 ( 1.543 0.000 2.958) 3.336 16.053 ( 6.881 0.000 2.052) 7.181 16.223 ( -0.759 0.000 -2.277) 2.401 16.254 ( -5.966 0.000 3.851) 7.101 16.420 ( -12.830 0.000 2.623) 13.096 18.235 ( 8.399 0.000 -3.384) 9.055 18.287 ( 4.337 0.000 -7.405) 8.582 18.589 ( 1.553 0.000 7.505) 7.664 18.727 ( -9.237 0.000 4.334) 10.203 19.587 ( 12.246 0.000 0.961) 12.283 19.879 ( -14.102 0.000 11.969) 18.496 19.973 ( 6.404 0.000 -5.289) 8.305 20.174 ( -10.290 0.000 -0.446) 10.300 ======================= Grid point 90 (31/81) ======================= q-point: ( 0.00 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 30.356 30.012) 42.687 1.376 ( 0.000 34.934 35.633) 49.901 2.286 ( 0.000 66.904 49.498) 83.223 3.058 ( 0.000 7.696 -29.042) 30.045 3.213 ( 0.000 16.395 -12.240) 20.460 3.452 ( 0.000 20.889 7.281) 22.122 3.917 ( 0.000 29.048 2.087) 29.123 3.980 ( 0.000 1.532 17.826) 17.891 4.293 ( 0.000 25.512 -3.563) 25.759 4.305 ( 0.000 17.714 6.536) 18.881 4.399 ( 0.000 5.999 2.283) 6.419 4.440 ( 0.000 13.803 -0.067) 13.803 4.737 ( 0.000 18.851 0.127) 18.852 4.832 ( 0.000 24.165 4.167) 24.521 4.921 ( 0.000 19.955 -6.966) 21.136 4.947 ( 0.000 3.495 0.330) 3.511 4.999 ( 0.000 5.155 -14.780) 15.653 5.082 ( 0.000 7.209 -1.662) 7.398 5.356 ( 0.000 24.112 -2.887) 24.284 5.549 ( 0.000 9.972 -12.924) 16.324 5.569 ( 0.000 0.465 -4.967) 4.989 5.794 ( 0.000 26.569 -0.572) 26.575 5.976 ( 0.000 23.683 -3.770) 23.981 6.092 ( 0.000 4.436 -5.836) 7.331 6.235 ( 0.000 6.900 -5.673) 8.933 6.445 ( 0.000 -2.566 -7.162) 7.608 6.643 ( 0.000 2.773 -18.062) 18.274 7.289 ( 0.000 -6.745 21.920) 22.934 7.585 ( 0.000 -9.262 5.806) 10.932 7.892 ( 0.000 1.520 11.663) 11.761 7.959 ( 0.000 0.385 5.338) 5.352 8.144 ( 0.000 -0.420 0.830) 0.931 8.449 ( 0.000 -4.543 -5.536) 7.162 8.658 ( 0.000 -0.530 4.066) 4.100 8.696 ( 0.000 -8.288 -5.364) 9.873 8.924 ( 0.000 -4.409 2.283) 4.965 8.944 ( 0.000 -2.770 16.731) 16.958 9.079 ( 0.000 0.167 -4.393) 4.396 9.329 ( 0.000 11.545 -2.583) 11.830 9.385 ( 0.000 11.325 2.485) 11.594 9.525 ( 0.000 20.705 -0.296) 20.707 9.710 ( 0.000 12.713 7.519) 14.770 9.817 ( 0.000 14.138 -4.833) 14.941 10.102 ( 0.000 30.672 -23.702) 38.763 10.276 ( 0.000 3.150 -5.985) 6.763 10.561 ( 0.000 -1.238 4.365) 4.537 10.634 ( 0.000 1.667 -0.754) 1.830 10.687 ( 0.000 5.700 -0.227) 5.704 10.702 ( 0.000 6.801 1.576) 6.981 10.784 ( 0.000 2.660 -6.132) 6.684 10.822 ( 0.000 10.314 1.144) 10.377 10.982 ( 0.000 -0.846 6.555) 6.609 11.144 ( 0.000 5.954 -8.008) 9.979 11.148 ( 0.000 -2.463 -0.862) 2.610 11.238 ( 0.000 -2.161 5.853) 6.240 11.504 ( 0.000 3.383 -0.749) 3.465 11.587 ( 0.000 4.551 -0.067) 4.551 11.757 ( 0.000 2.104 -6.352) 6.691 12.251 ( 0.000 3.491 -25.897) 26.132 12.558 ( 0.000 3.815 -14.985) 15.463 12.591 ( 0.000 -1.833 18.698) 18.788 12.945 ( 0.000 -5.246 8.157) 9.698 13.111 ( 0.000 -6.932 1.995) 7.213 13.116 ( 0.000 -9.848 0.513) 9.861 13.258 ( 0.000 -0.996 0.883) 1.331 13.258 ( 0.000 -0.655 6.538) 6.571 13.387 ( 0.000 5.593 1.791) 5.873 13.709 ( 0.000 3.116 -5.689) 6.486 13.905 ( 0.000 -1.847 -2.509) 3.115 13.955 ( 0.000 -1.143 2.086) 2.379 14.578 ( 0.000 6.634 0.931) 6.699 14.619 ( 0.000 -3.092 -1.894) 3.626 15.852 ( 0.000 -6.604 -1.812) 6.848 16.159 ( 0.000 -8.709 -14.691) 17.078 16.510 ( 0.000 -7.929 13.165) 15.369 16.793 ( 0.000 -10.578 9.481) 14.205 17.822 ( 0.000 -0.662 -3.802) 3.859 18.005 ( 0.000 -4.532 -11.710) 12.557 18.601 ( 0.000 -5.719 9.681) 11.245 19.036 ( 0.000 7.641 -18.741) 20.239 19.221 ( 0.000 -6.197 2.755) 6.782 19.631 ( 0.000 -8.789 -5.031) 10.127 20.322 ( 0.000 -13.474 6.959) 15.165 20.480 ( 0.000 -31.233 19.281) 36.705 ======================= Grid point 91 (32/81) ======================= 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 30.301 22.402 22.079) 43.674 1.645 ( 22.699 28.300 30.541) 47.422 2.689 ( 33.405 54.132 37.369) 73.774 3.068 ( 0.326 7.244 -16.776) 18.276 3.287 ( 3.221 12.572 -5.313) 14.023 3.437 ( -2.864 24.442 -1.424) 24.650 3.643 ( -21.064 25.423 0.927) 33.029 3.909 ( -7.009 4.254 12.176) 14.679 4.185 ( -5.302 24.425 1.135) 25.020 4.302 ( -0.535 24.023 6.814) 24.976 4.411 ( 1.744 0.161 -6.284) 6.523 4.560 ( -0.988 21.427 -1.077) 21.477 4.720 ( -1.335 19.411 -1.365) 19.505 4.784 ( -2.178 14.197 -0.199) 14.364 4.852 ( -6.389 9.168 2.236) 11.396 4.969 ( 4.611 16.695 -5.753) 18.250 5.056 ( 3.298 10.556 -8.080) 13.696 5.160 ( 6.112 8.530 -5.062) 11.651 5.338 ( 2.192 10.605 -4.854) 11.867 5.461 ( 6.700 16.609 -3.147) 18.184 5.774 ( 3.883 23.332 -0.283) 23.654 5.889 ( 5.657 6.054 3.013) 8.816 5.960 ( -1.564 25.456 -2.853) 25.663 6.193 ( 3.386 4.782 -4.910) 7.645 6.363 ( 1.726 1.346 -16.528) 16.672 6.477 ( 14.171 1.645 -11.751) 18.482 6.747 ( 6.686 -4.020 -15.606) 17.447 7.192 ( -5.633 -2.975 10.197) 12.024 7.503 ( -11.919 -7.272 -7.322) 15.766 7.651 ( -7.463 -5.316 16.819) 19.153 7.973 ( -6.624 -1.124 4.734) 8.219 8.167 ( 0.543 0.447 -3.940) 4.002 8.264 ( -16.608 -3.675 1.499) 17.076 8.608 ( -3.902 -1.434 -5.092) 6.573 8.711 ( -0.818 -3.596 4.114) 5.525 8.761 ( -2.470 -6.225 0.161) 6.699 9.014 ( -3.330 -3.324 8.655) 9.851 9.114 ( 5.198 6.418 1.950) 8.486 9.284 ( -0.160 14.053 -2.948) 14.360 9.440 ( -5.673 20.452 0.666) 21.235 9.525 ( 1.489 13.085 -5.965) 14.457 9.670 ( -4.805 18.656 4.143) 19.706 9.794 ( 4.066 15.966 1.641) 16.557 9.950 ( 3.561 17.807 -0.127) 18.160 10.231 ( -28.537 -0.667 8.049) 29.658 10.435 ( -8.818 4.409 7.173) 12.192 10.513 ( -6.181 4.931 3.119) 8.499 10.547 ( -10.980 7.219 3.350) 13.561 10.705 ( 16.453 3.578 -9.521) 19.343 10.815 ( 6.955 4.880 -1.605) 8.647 10.888 ( 4.493 8.884 -0.083) 9.956 11.139 ( 6.384 0.960 -5.376) 8.401 11.272 ( 6.268 -1.891 -3.609) 7.476 11.292 ( 10.896 -0.861 1.300) 11.007 11.365 ( 6.191 -2.046 6.487) 9.197 11.535 ( 3.425 2.851 0.658) 4.505 11.576 ( -0.519 4.307 0.784) 4.408 11.893 ( 8.625 1.575 -10.911) 13.997 12.092 ( -6.860 0.002 -9.415) 11.649 12.525 ( 3.504 4.234 -20.411) 21.138 12.677 ( 1.851 0.267 11.251) 11.405 13.019 ( -5.340 -7.110 2.398) 9.209 13.095 ( 0.542 -8.537 2.251) 8.845 13.168 ( 6.172 -6.858 3.103) 9.735 13.259 ( 0.179 -0.195 1.835) 1.854 13.265 ( -0.263 0.244 6.991) 7.000 13.334 ( -2.315 4.900 2.150) 5.830 13.606 ( -9.754 3.779 1.063) 10.514 13.848 ( 2.320 -0.937 -7.042) 7.473 14.004 ( 1.955 -1.682 -1.858) 3.179 14.615 ( 2.714 2.068 0.925) 3.536 14.659 ( 4.202 1.183 1.466) 4.605 15.883 ( 2.816 -6.774 -1.015) 7.406 16.137 ( -1.295 -8.294 -11.880) 14.547 16.396 ( -9.545 -7.881 10.548) 16.263 16.627 ( -12.995 -9.345 6.954) 17.451 17.971 ( 11.084 -2.711 -2.594) 11.702 18.096 ( 7.410 -4.143 -10.048) 13.154 18.576 ( -1.743 -4.341 9.075) 10.210 18.961 ( -7.558 4.235 -6.019) 10.550 19.286 ( 6.787 -7.337 -3.568) 10.612 19.702 ( 5.675 -9.633 -5.886) 12.635 20.153 ( -21.015 -17.247 20.615) 34.118 20.241 ( -7.268 -13.059 4.805) 15.699 ======================= Grid point 92 (33/81) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 29.320 16.384 23.169) 40.803 2.288 ( 34.993 23.598 14.927) 44.768 2.797 ( -24.105 9.472 15.991) 30.438 3.004 ( -31.145 24.220 10.881) 40.927 3.314 ( 16.315 11.263 -5.467) 20.565 3.629 ( 11.565 25.863 -15.792) 32.435 3.646 ( 2.509 16.284 5.924) 17.509 3.699 ( 20.430 22.457 4.116) 30.637 3.977 ( -9.630 29.680 -7.311) 32.048 4.343 ( 3.353 20.662 4.282) 21.366 4.421 ( -0.294 7.115 -1.780) 7.340 4.459 ( -8.778 19.378 2.190) 21.385 4.638 ( -8.430 2.859 5.977) 10.722 4.722 ( -15.389 16.649 1.885) 22.750 4.768 ( 2.460 20.542 -0.892) 20.708 4.853 ( -8.130 21.173 -1.953) 22.765 5.155 ( 6.127 20.519 3.985) 21.782 5.234 ( -0.537 18.094 2.426) 18.264 5.495 ( 8.097 2.237 -1.100) 8.472 5.581 ( 1.101 8.062 4.284) 9.196 5.854 ( 3.472 26.556 -3.687) 27.035 5.908 ( -1.825 24.112 -0.257) 24.182 5.972 ( 7.727 1.129 -5.637) 9.631 6.117 ( -5.085 0.449 -0.417) 5.122 6.633 ( 15.006 5.939 -36.874) 40.251 6.767 ( 5.704 0.930 -19.644) 20.476 6.928 ( 13.975 -4.848 -5.783) 15.882 7.148 ( -5.551 -1.031 -6.297) 8.458 7.266 ( -1.992 -5.893 0.232) 6.225 7.462 ( -13.046 -6.952 -2.141) 14.937 7.636 ( -9.988 -1.917 0.772) 10.199 7.857 ( -20.506 0.161 -1.915) 20.596 8.306 ( 9.206 -0.640 7.096) 11.641 8.523 ( -7.032 -3.377 -10.110) 12.770 8.647 ( 2.155 -4.207 3.198) 5.707 8.754 ( -3.122 -4.515 -5.909) 8.065 9.059 ( 8.145 -1.400 22.035) 23.534 9.185 ( 0.642 8.149 5.043) 9.605 9.304 ( 1.935 18.431 -4.537) 19.079 9.344 ( -2.727 18.415 1.968) 18.720 9.374 ( -5.772 25.442 -8.069) 27.307 9.515 ( -17.265 10.207 16.909) 26.233 9.941 ( 9.601 7.632 3.971) 12.892 9.998 ( 6.991 4.715 8.720) 12.130 10.078 ( 4.877 12.253 2.523) 13.427 10.196 ( -11.882 4.898 8.856) 15.608 10.314 ( -7.497 7.133 5.732) 11.830 10.359 ( -7.534 7.180 2.354) 10.670 10.908 ( 3.542 6.681 -0.344) 7.570 10.932 ( 1.497 8.746 -0.035) 8.873 11.086 ( 11.724 -0.809 -4.775) 12.685 11.230 ( -0.981 -1.442 0.267) 1.765 11.350 ( 5.041 -1.730 -8.254) 9.825 11.416 ( 1.375 -2.036 -3.407) 4.201 11.530 ( 1.239 0.416 2.883) 3.165 11.566 ( 0.926 3.533 6.124) 7.131 11.629 ( 7.364 2.957 3.800) 8.799 11.807 ( -7.185 -0.368 -3.449) 7.978 12.286 ( 12.954 0.178 -15.315) 20.060 12.504 ( -7.488 5.134 -12.027) 15.069 12.728 ( 4.821 -3.077 -0.062) 5.719 12.861 ( -7.782 -5.725 1.544) 9.784 13.125 ( 3.079 -7.990 2.430) 8.901 13.198 ( -3.135 -4.149 0.643) 5.240 13.249 ( 0.644 -0.630 2.943) 3.078 13.268 ( -0.844 1.182 3.263) 3.572 13.326 ( 4.389 2.773 4.906) 7.144 13.467 ( -6.737 1.748 8.002) 10.606 13.931 ( 5.281 -2.801 -12.358) 13.728 14.017 ( -1.659 -1.918 -7.013) 7.458 14.697 ( 4.338 1.067 2.958) 5.358 14.739 ( 1.431 1.503 2.497) 3.246 15.981 ( 6.663 -7.070 1.541) 9.836 16.147 ( 0.795 -7.554 -3.330) 8.294 16.173 ( -7.260 -7.955 4.219) 11.567 16.336 ( -12.509 -8.272 2.430) 15.193 18.188 ( 7.730 -4.852 -3.607) 9.814 18.245 ( 3.695 -4.208 -7.349) 9.239 18.575 ( 3.745 -1.241 7.820) 8.759 18.754 ( -10.747 1.933 2.493) 11.201 19.483 ( 11.166 -9.999 1.059) 15.026 19.755 ( -13.537 -11.753 11.501) 21.299 19.861 ( 6.608 -10.822 -5.336) 13.756 20.051 ( -9.706 -11.883 -0.680) 15.358 ======================= Grid point 95 (34/81) ======================= q-point: ( 0.00 0.12 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 37.285 17.233) 41.075 2.115 ( 0.000 38.168 23.909) 45.039 3.285 ( 0.000 14.983 -21.753) 26.414 3.519 ( 0.000 17.446 2.127) 17.575 3.759 ( 0.000 69.461 23.294) 73.263 4.018 ( 0.000 27.227 -18.057) 32.671 4.063 ( 0.000 11.712 14.643) 18.751 4.399 ( 0.000 8.443 -2.653) 8.850 4.601 ( 0.000 7.751 -6.259) 9.963 4.682 ( 0.000 32.887 4.692) 33.220 4.902 ( 0.000 15.078 -1.830) 15.189 4.919 ( 0.000 33.014 11.317) 34.899 4.986 ( 0.000 10.402 2.826) 10.779 5.133 ( 0.000 21.843 -3.373) 22.102 5.207 ( 0.000 26.551 -0.574) 26.557 5.344 ( 0.000 27.025 -9.455) 28.631 5.450 ( 0.000 28.799 2.627) 28.918 5.518 ( 0.000 14.091 -6.158) 15.378 5.683 ( 0.000 22.805 -2.772) 22.973 5.844 ( 0.000 18.104 0.267) 18.106 6.025 ( 0.000 36.598 2.687) 36.697 6.231 ( 0.000 11.574 -6.290) 13.173 6.351 ( 0.000 9.834 2.199) 10.077 6.405 ( 0.000 30.460 0.305) 30.461 6.506 ( 0.000 14.742 -5.975) 15.907 6.586 ( 0.000 25.933 -9.247) 27.533 6.950 ( 0.000 34.032 -25.552) 42.557 7.244 ( 0.000 0.661 8.602) 8.627 7.432 ( 0.000 -5.853 7.428) 9.457 7.958 ( 0.000 4.147 9.064) 9.968 8.013 ( 0.000 6.164 5.251) 8.097 8.171 ( 0.000 4.041 3.079) 5.081 8.366 ( 0.000 -3.037 -5.362) 6.162 8.545 ( 0.000 -5.846 -2.695) 6.437 8.666 ( 0.000 2.187 1.419) 2.607 8.860 ( 0.000 -0.934 3.987) 4.095 8.899 ( 0.000 -1.195 19.190) 19.227 9.036 ( 0.000 -3.231 -9.346) 9.889 9.547 ( 0.000 8.158 -2.318) 8.481 9.615 ( 0.000 5.214 -8.782) 10.214 9.852 ( 0.000 11.833 4.599) 12.695 10.049 ( 0.000 18.946 3.935) 19.351 10.075 ( 0.000 10.556 -4.052) 11.307 10.442 ( 0.000 10.785 -1.473) 10.886 10.573 ( 0.000 12.487 -4.867) 13.402 10.588 ( 0.000 6.038 5.506) 8.172 10.603 ( 0.000 3.220 -9.960) 10.467 10.809 ( 0.000 1.539 1.695) 2.289 10.814 ( 0.000 3.244 0.902) 3.367 10.865 ( 0.000 7.861 -2.673) 8.303 10.919 ( 0.000 1.923 9.646) 9.836 11.106 ( 0.000 10.575 -1.051) 10.627 11.121 ( 0.000 1.061 0.286) 1.099 11.216 ( 0.000 2.052 3.923) 4.427 11.233 ( 0.000 5.818 -3.340) 6.708 11.630 ( 0.000 8.234 -3.573) 8.976 11.711 ( 0.000 7.620 1.417) 7.751 11.850 ( 0.000 7.867 -3.450) 8.590 12.240 ( 0.000 -3.666 -19.666) 20.005 12.554 ( 0.000 -1.143 16.841) 16.880 12.609 ( 0.000 0.635 -15.903) 15.916 12.839 ( 0.000 -6.232 7.694) 9.901 12.905 ( 0.000 -10.299 0.454) 10.309 12.993 ( 0.000 -3.596 0.675) 3.658 13.243 ( 0.000 -0.914 7.327) 7.384 13.254 ( 0.000 1.279 2.934) 3.201 13.459 ( 0.000 1.920 4.058) 4.489 13.739 ( 0.000 -0.127 -5.318) 5.319 13.850 ( 0.000 -3.743 -1.999) 4.244 13.924 ( 0.000 -1.733 1.296) 2.164 14.541 ( 0.000 -4.022 1.701) 4.367 14.735 ( 0.000 7.782 -2.359) 8.132 15.665 ( 0.000 -11.633 -2.109) 11.822 15.909 ( 0.000 -15.850 -13.203) 20.628 16.283 ( 0.000 -14.432 9.593) 17.330 16.487 ( 0.000 -19.655 8.394) 21.372 17.781 ( 0.000 -3.031 -4.204) 5.183 17.888 ( 0.000 -6.806 -10.843) 12.802 18.440 ( 0.000 -9.994 12.134) 15.719 19.029 ( 0.000 -7.832 -16.192) 17.987 19.047 ( 0.000 -10.910 1.695) 11.040 19.378 ( 0.000 -16.328 -4.138) 16.845 19.959 ( 0.000 -21.748 5.265) 22.376 19.963 ( 0.000 -21.423 13.440) 25.290 ======================= Grid point 96 (35/81) ======================= q-point: ( 0.20 0.12 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 21.290 31.412 14.255) 40.536 2.282 ( 14.923 34.221 22.883) 43.788 3.277 ( -2.272 14.584 -14.834) 20.926 3.534 ( -0.024 18.245 2.562) 18.424 3.971 ( 2.714 21.846 3.375) 22.271 4.042 ( 16.388 61.492 18.625) 66.307 4.092 ( -0.078 21.570 -8.012) 23.010 4.171 ( -21.474 22.608 -0.533) 31.186 4.410 ( -0.066 1.707 -6.662) 6.878 4.711 ( -2.883 20.531 4.486) 21.212 4.918 ( -1.052 23.192 4.847) 23.717 4.980 ( -1.117 26.738 -1.215) 26.789 5.152 ( 4.507 26.947 -0.980) 27.339 5.174 ( 4.853 17.178 -1.571) 17.919 5.193 ( 4.298 19.279 -7.882) 21.267 5.218 ( -8.168 24.261 -0.554) 25.605 5.358 ( 4.996 23.511 0.894) 24.053 5.616 ( 2.165 25.381 -0.371) 25.476 5.649 ( 0.512 22.911 -1.829) 22.989 5.961 ( 1.083 10.371 7.435) 12.807 6.053 ( 3.211 33.938 6.563) 34.716 6.354 ( 1.583 18.217 -1.136) 18.321 6.440 ( 6.485 25.635 -7.383) 27.454 6.480 ( 8.887 18.156 -5.257) 20.887 6.538 ( 9.414 9.056 -5.646) 14.231 6.593 ( 0.524 23.420 -4.910) 23.935 6.935 ( -1.667 31.313 -26.093) 40.794 7.195 ( -2.299 2.806 4.603) 5.861 7.370 ( -6.419 -6.594 -3.135) 9.722 7.630 ( -18.309 4.146 7.396) 20.177 7.981 ( -10.474 1.860 1.597) 10.757 8.202 ( -9.784 2.983 -3.937) 10.960 8.228 ( 1.726 2.552 6.302) 7.015 8.569 ( -4.328 -2.702 2.216) 5.563 8.655 ( 0.174 -0.879 -0.738) 1.161 8.693 ( -3.025 0.289 -1.555) 3.414 8.945 ( -2.314 -2.968 7.400) 8.302 9.160 ( 9.682 0.425 7.388) 12.186 9.559 ( 1.355 9.850 -4.628) 10.967 9.675 ( 2.690 1.999 -9.351) 9.933 9.843 ( -4.001 16.178 0.959) 16.694 9.956 ( 1.005 14.665 5.814) 15.807 10.073 ( -1.945 7.578 3.384) 8.524 10.224 ( -21.947 2.446 7.948) 23.470 10.413 ( -4.364 22.944 -3.065) 23.555 10.598 ( -5.592 7.483 2.354) 9.634 10.623 ( -2.759 9.382 2.606) 10.120 10.690 ( -8.419 5.644 2.676) 10.483 10.809 ( 13.053 3.158 -5.156) 14.385 10.901 ( 7.320 6.819 -7.243) 12.350 11.105 ( 5.821 10.443 1.119) 12.008 11.185 ( 4.518 -3.786 -2.960) 6.596 11.224 ( 5.077 7.469 -1.718) 9.193 11.299 ( 6.650 2.416 -2.948) 7.665 11.365 ( 8.423 1.776 7.510) 11.423 11.631 ( 1.722 7.294 0.119) 7.495 11.702 ( -0.059 8.347 2.236) 8.641 11.957 ( 4.219 5.035 -4.504) 7.964 12.062 ( -6.887 -2.197 -8.261) 10.977 12.543 ( 4.551 -1.547 -6.184) 7.833 12.697 ( 1.757 -0.486 -1.426) 2.315 12.882 ( -2.092 -7.575 2.588) 8.274 12.931 ( -3.778 -4.980 -1.116) 6.350 13.027 ( 9.338 -6.928 3.139) 12.044 13.256 ( 0.094 -1.018 6.599) 6.678 13.268 ( 0.994 1.327 5.158) 5.418 13.412 ( -2.491 2.827 4.489) 5.861 13.646 ( -10.207 0.456 0.065) 10.217 13.798 ( -0.561 -3.884 -7.522) 8.484 13.943 ( 1.183 -4.193 -1.255) 4.534 14.598 ( 4.962 -1.517 2.346) 5.694 14.766 ( 2.431 6.648 -1.454) 7.226 15.691 ( 2.460 -12.015 -1.575) 12.365 15.897 ( -0.583 -15.302 -10.913) 18.804 16.171 ( -9.346 -14.295 7.761) 18.760 16.353 ( -10.939 -17.665 6.278) 21.706 17.880 ( 7.750 -6.236 -3.399) 10.512 17.990 ( 8.001 -6.179 -9.910) 14.156 18.452 ( 1.472 -7.500 11.737) 14.007 18.954 ( -6.710 -5.551 -3.395) 9.347 19.080 ( 3.630 -13.025 -6.590) 15.042 19.427 ( 4.106 -17.475 -4.566) 18.523 19.785 ( -14.030 -18.051 12.918) 26.260 19.890 ( -6.154 -21.169 3.438) 22.311 ======================= Grid point 97 (36/81) ======================= q-point: ( 0.40 0.12 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 23.183 25.313 14.110) 37.112 2.770 ( 32.477 23.980 13.829) 42.673 3.076 ( -17.146 17.945 9.275) 26.496 3.485 ( -29.241 21.605 5.574) 36.782 3.617 ( 5.424 17.981 -7.370) 20.176 3.865 ( -12.693 13.601 0.475) 18.610 4.235 ( 10.280 25.102 -19.012) 33.125 4.452 ( -3.821 14.173 -15.165) 21.106 4.488 ( 11.154 33.979 6.013) 36.265 4.666 ( 6.214 16.789 10.512) 20.760 4.792 ( -2.745 33.344 1.173) 33.477 5.004 ( 1.181 40.154 2.154) 40.229 5.018 ( -2.430 32.037 3.809) 32.354 5.209 ( -1.106 20.820 -2.705) 21.024 5.309 ( 0.905 33.471 0.552) 33.488 5.330 ( 1.909 20.914 1.968) 21.093 5.496 ( 6.032 20.047 0.474) 20.940 5.614 ( -5.789 19.716 7.475) 21.866 5.705 ( 7.297 16.127 0.509) 17.708 5.837 ( -6.218 10.748 6.701) 14.110 6.135 ( 3.972 26.475 8.100) 27.970 6.251 ( -6.553 18.973 7.481) 21.421 6.542 ( 3.779 34.840 -6.114) 35.574 6.589 ( 0.641 35.919 -5.102) 36.285 6.798 ( 11.544 1.597 -8.358) 14.342 6.843 ( 13.076 0.842 -10.475) 16.775 6.908 ( 1.971 22.368 -28.217) 36.061 7.133 ( -11.064 0.008 -8.558) 13.987 7.234 ( -0.479 2.420 2.095) 3.237 7.372 ( -4.584 0.930 -3.486) 5.834 7.639 ( -8.418 3.332 -6.234) 10.992 7.902 ( -19.126 5.922 -5.837) 20.856 8.331 ( 5.900 4.276 8.769) 11.401 8.490 ( -6.812 0.449 -5.398) 8.703 8.570 ( 2.910 -3.007 3.317) 5.340 8.681 ( -3.261 -2.282 -3.797) 5.501 9.038 ( 9.911 0.195 17.531) 20.140 9.243 ( -4.278 1.359 12.757) 13.524 9.587 ( 0.976 6.697 -6.675) 9.506 9.642 ( -5.114 0.654 -7.600) 9.184 9.754 ( -2.848 16.680 3.091) 17.201 9.791 ( -7.403 18.552 9.516) 22.126 10.107 ( 7.778 10.329 5.025) 13.872 10.154 ( 6.965 5.561 8.992) 12.661 10.346 ( -5.446 10.437 -1.337) 11.848 10.419 ( -9.992 9.203 2.270) 13.773 10.522 ( -2.307 18.155 2.350) 18.452 10.563 ( -3.264 15.681 0.549) 16.027 11.007 ( 6.760 -1.316 -3.991) 7.960 11.094 ( 3.094 1.030 -8.552) 9.153 11.159 ( 1.864 11.927 -2.625) 12.354 11.230 ( -1.263 6.218 -0.609) 6.375 11.332 ( 8.069 1.264 -6.043) 10.159 11.418 ( 2.003 2.016 -6.175) 6.798 11.537 ( 5.447 0.667 6.109) 8.212 11.667 ( -6.206 2.737 3.427) 7.600 11.705 ( 5.842 8.444 9.481) 13.975 11.822 ( -3.519 3.387 3.532) 6.028 12.288 ( 15.539 0.304 -12.063) 19.674 12.602 ( -9.897 2.655 -16.013) 19.011 12.658 ( 2.384 -3.297 5.483) 6.828 12.751 ( -6.301 -4.002 3.893) 8.419 12.959 ( 5.999 -7.950 -0.483) 9.971 13.102 ( -4.671 -5.167 -1.078) 7.048 13.230 ( 1.675 -1.227 5.532) 5.909 13.292 ( -1.555 1.288 6.214) 6.534 13.368 ( 1.655 1.435 3.541) 4.164 13.478 ( -6.752 -0.577 7.241) 9.917 13.841 ( 5.617 -5.782 -10.154) 12.965 13.945 ( -2.421 -5.244 -6.366) 8.596 14.723 ( 5.788 1.639 2.278) 6.433 14.798 ( -0.575 4.045 0.468) 4.113 15.779 ( 6.021 -12.828 0.380) 14.176 15.924 ( 4.210 -14.551 -4.775) 15.882 15.951 ( -9.937 -13.793 3.983) 17.461 16.098 ( -11.400 -15.263 1.882) 19.143 18.046 ( 6.661 -8.984 -3.295) 11.659 18.116 ( 1.355 -8.721 -6.606) 11.023 18.546 ( 8.296 -1.637 7.242) 11.134 18.765 ( -10.553 -1.686 0.452) 10.696 19.213 ( 8.927 -16.363 0.973) 18.665 19.450 ( -11.593 -17.706 9.386) 23.152 19.566 ( 4.583 -17.951 -4.682) 19.109 19.725 ( -8.443 -19.888 -0.959) 21.628 ======================= Grid point 100 (37/81) ======================= q-point: ( 0.00 0.19 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.000 35.514 10.200) 36.950 2.860 ( 0.000 35.474 13.002) 37.782 3.630 ( 0.000 18.878 -13.192) 23.031 3.935 ( 0.000 23.667 0.818) 23.682 4.129 ( 0.000 6.531 12.994) 14.543 4.390 ( 0.000 11.335 -13.890) 17.929 4.560 ( 0.000 6.843 -7.922) 10.468 4.702 ( 0.000 9.527 -8.758) 12.941 4.953 ( 0.000 0.670 1.186) 1.362 4.992 ( 0.000 9.334 -2.806) 9.746 5.260 ( 0.000 44.500 -4.103) 44.689 5.473 ( 0.000 19.079 8.826) 21.021 5.544 ( 0.000 29.168 7.580) 30.137 5.556 ( 0.000 23.841 7.334) 24.943 5.843 ( 0.000 34.092 5.657) 34.559 5.860 ( 0.000 18.156 -1.960) 18.261 5.918 ( 0.000 21.896 -3.844) 22.231 6.027 ( 0.000 42.672 -3.726) 42.835 6.218 ( 0.000 29.862 3.590) 30.077 6.254 ( 0.000 23.303 6.417) 24.171 6.381 ( 0.000 5.174 -3.201) 6.084 6.590 ( 0.000 23.308 2.014) 23.395 6.663 ( 0.000 20.476 8.195) 22.055 6.962 ( 0.000 19.470 -2.813) 19.672 7.110 ( 0.000 26.176 -1.210) 26.204 7.306 ( 0.000 43.793 -19.590) 47.975 7.315 ( 0.000 20.058 -2.769) 20.248 7.420 ( 0.000 6.049 11.138) 12.675 7.718 ( 0.000 35.327 -13.717) 37.897 8.026 ( 0.000 3.074 1.728) 3.526 8.215 ( 0.000 8.126 -11.606) 14.168 8.311 ( 0.000 8.077 11.648) 14.174 8.350 ( 0.000 4.506 -1.470) 4.740 8.564 ( 0.000 12.462 3.838) 13.040 8.770 ( 0.000 8.066 -4.971) 9.474 8.910 ( 0.000 1.873 14.120) 14.244 8.996 ( 0.000 18.454 6.042) 19.418 9.006 ( 0.000 3.601 -6.455) 7.391 9.585 ( 0.000 -4.851 -3.635) 6.062 9.597 ( 0.000 -3.848 -9.143) 9.919 10.003 ( 0.000 1.415 4.070) 4.309 10.254 ( 0.000 7.637 -3.653) 8.466 10.266 ( 0.000 4.059 -2.378) 4.704 10.402 ( 0.000 -10.727 -2.062) 10.924 10.563 ( 0.000 0.116 9.617) 9.618 10.719 ( 0.000 -5.895 2.619) 6.451 10.720 ( 0.000 -5.372 3.634) 6.486 10.845 ( 0.000 12.722 5.347) 13.800 10.982 ( 0.000 8.360 -5.197) 9.843 11.072 ( 0.000 12.288 4.242) 12.999 11.113 ( 0.000 14.640 -3.123) 14.969 11.243 ( 0.000 3.404 -0.878) 3.515 11.253 ( 0.000 13.441 -1.248) 13.499 11.370 ( 0.000 12.147 2.395) 12.380 11.422 ( 0.000 13.659 -3.138) 14.015 11.792 ( 0.000 6.515 -5.459) 8.500 11.875 ( 0.000 8.285 1.826) 8.483 12.086 ( 0.000 15.683 -0.534) 15.692 12.134 ( 0.000 -5.981 -15.774) 16.870 12.583 ( 0.000 4.679 9.913) 10.962 12.605 ( 0.000 0.029 -9.160) 9.160 12.717 ( 0.000 -4.844 5.215) 7.117 12.735 ( 0.000 -5.976 2.691) 6.554 12.962 ( 0.000 -0.156 2.942) 2.946 13.215 ( 0.000 -1.910 6.203) 6.490 13.329 ( 0.000 6.353 4.424) 7.742 13.478 ( 0.000 0.351 5.790) 5.801 13.717 ( 0.000 -1.567 -5.309) 5.535 13.757 ( 0.000 -5.127 0.136) 5.129 13.891 ( 0.000 -1.442 0.691) 1.599 14.473 ( 0.000 -3.057 2.904) 4.216 14.841 ( 0.000 1.892 -5.729) 6.033 15.410 ( 0.000 -13.148 -3.048) 13.497 15.547 ( 0.000 -19.676 -11.262) 22.671 15.949 ( 0.000 -18.593 5.043) 19.265 16.029 ( 0.000 -25.377 7.483) 26.457 17.713 ( 0.000 -3.643 -4.759) 5.993 17.742 ( 0.000 -7.941 -10.129) 12.870 18.222 ( 0.000 -11.285 13.740) 17.780 18.769 ( 0.000 -16.931 -8.196) 18.810 18.798 ( 0.000 -13.630 0.487) 13.639 18.989 ( 0.000 -22.043 -2.165) 22.149 19.495 ( 0.000 -23.824 4.671) 24.277 19.588 ( 0.000 -16.986 4.079) 17.469 ======================= Grid point 101 (38/81) ======================= q-point: ( 0.20 0.19 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 13.731 32.241 9.158) 36.220 2.965 ( 9.373 33.013 13.114) 36.738 3.617 ( -2.154 18.651 -9.915) 21.232 3.932 ( -0.683 19.965 2.305) 20.109 4.208 ( 5.946 12.393 7.377) 15.600 4.415 ( -19.836 10.115 -5.653) 22.972 4.447 ( 5.092 6.311 -9.237) 12.292 4.577 ( -2.423 15.403 -13.188) 20.422 4.874 ( -5.368 4.047 2.185) 7.069 5.100 ( 5.888 7.002 -0.194) 9.151 5.294 ( 5.792 30.192 -3.643) 30.958 5.482 ( -1.896 13.893 8.538) 16.417 5.562 ( 2.407 21.765 4.391) 22.334 5.658 ( 8.577 42.911 8.716) 44.620 5.758 ( -5.906 22.949 -4.380) 24.098 5.916 ( 3.573 27.724 -2.183) 28.039 5.944 ( 0.870 32.752 1.762) 32.811 6.031 ( 1.743 34.448 -2.573) 34.588 6.209 ( 1.168 29.308 5.019) 29.758 6.309 ( 2.011 23.759 5.271) 24.420 6.454 ( 7.003 3.859 -1.559) 8.146 6.642 ( 5.021 22.769 4.932) 23.832 6.739 ( 7.128 15.288 2.630) 17.072 6.972 ( -3.888 23.478 5.934) 24.527 7.121 ( 2.448 11.803 -7.627) 14.264 7.236 ( -4.698 31.088 -4.510) 31.763 7.334 ( -1.004 33.536 -11.419) 35.441 7.358 ( -2.037 11.599 4.558) 12.628 7.683 ( -6.278 30.532 -15.325) 34.734 7.831 ( -11.833 17.717 1.986) 21.398 8.049 ( -12.696 6.143 -8.337) 16.383 8.349 ( -1.300 10.327 -3.473) 10.973 8.363 ( 4.486 8.687 5.812) 11.374 8.596 ( -1.828 10.548 6.103) 12.323 8.711 ( 1.196 6.714 0.376) 6.830 8.766 ( -12.106 7.161 -6.686) 15.574 8.980 ( 2.728 10.350 8.875) 13.904 9.204 ( 10.313 6.665 6.720) 13.998 9.609 ( 0.004 -7.616 -6.640) 10.105 9.640 ( 2.083 -0.033 -8.561) 8.811 10.012 ( 1.581 -0.564 8.104) 8.276 10.129 ( -7.193 6.663 1.804) 9.970 10.245 ( 0.918 8.638 -1.449) 8.807 10.289 ( -11.413 1.608 6.396) 13.182 10.538 ( -4.270 -5.087 2.648) 7.150 10.665 ( -3.904 -3.818 1.585) 5.686 10.750 ( 4.454 -5.209 -0.126) 6.855 10.892 ( 1.095 12.990 0.413) 13.042 10.908 ( -1.295 11.014 0.100) 11.090 11.114 ( 1.974 8.243 -9.049) 12.399 11.179 ( 5.125 8.674 -1.859) 10.245 11.281 ( 5.296 5.098 2.352) 7.718 11.393 ( 6.674 10.594 0.207) 12.523 11.446 ( 4.697 7.630 3.430) 9.594 11.470 ( 4.281 13.066 -4.358) 14.423 11.799 ( -0.360 7.245 -0.512) 7.272 11.894 ( 3.160 10.135 1.317) 10.698 12.032 ( -7.271 2.538 -7.132) 10.496 12.128 ( 3.851 10.665 -2.545) 11.621 12.521 ( 1.312 0.649 3.651) 3.934 12.657 ( 1.893 -1.117 -3.754) 4.350 12.724 ( -0.001 -6.830 1.463) 6.985 12.898 ( 8.972 -5.463 3.476) 11.065 12.911 ( -4.234 0.649 -0.845) 4.366 13.218 ( -0.447 -2.443 5.171) 5.737 13.328 ( 0.141 4.523 5.896) 7.432 13.450 ( -1.905 1.189 6.823) 7.183 13.641 ( -9.406 -0.599 0.279) 9.429 13.715 ( -1.913 -3.444 -5.475) 6.745 13.855 ( -0.649 -3.989 0.061) 4.042 14.574 ( 7.981 -1.254 1.926) 8.305 14.865 ( 1.702 2.345 -4.772) 5.583 15.425 ( 1.540 -13.875 -2.661) 14.211 15.545 ( 0.192 -19.306 -9.573) 21.550 15.838 ( -8.955 -18.753 4.625) 21.290 15.943 ( -7.706 -22.549 5.130) 24.376 17.739 ( 4.008 -7.373 -4.047) 9.317 17.841 ( 5.590 -8.978 -8.698) 13.693 18.298 ( 7.238 -7.536 12.309) 16.146 18.752 ( -2.932 -14.358 1.982) 14.788 18.779 ( 0.399 -16.209 -6.620) 17.514 19.023 ( 3.001 -22.218 -3.064) 22.628 19.434 ( -5.454 -23.395 3.198) 24.235 19.453 ( -11.513 -15.499 4.274) 19.775 ======================= Grid point 102 (39/81) ======================= q-point: ( 0.40 0.19 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 19.777 25.600 5.777) 32.861 3.259 ( 20.571 24.824 11.972) 34.391 3.479 ( -10.688 21.310 2.368) 23.957 3.859 ( -29.248 15.281 2.551) 33.097 3.989 ( 7.437 19.347 -3.229) 20.977 4.212 ( -10.101 20.496 -1.765) 22.918 4.470 ( 7.145 6.794 -3.948) 10.621 4.685 ( -10.659 7.918 -2.144) 13.450 4.813 ( 16.553 12.515 -12.236) 24.090 5.116 ( -8.002 9.762 -6.895) 14.383 5.407 ( 4.378 15.311 3.279) 16.258 5.521 ( -6.016 17.899 -5.638) 19.707 5.632 ( 13.002 6.849 1.912) 14.819 5.656 ( 3.632 29.707 6.049) 30.534 5.780 ( -3.651 36.273 3.545) 36.628 5.910 ( -8.008 12.209 4.038) 15.149 6.031 ( 11.696 41.429 3.100) 43.160 6.122 ( 3.051 31.007 -1.162) 31.178 6.256 ( 3.617 42.502 2.856) 42.752 6.335 ( -0.125 35.159 5.458) 35.580 6.596 ( 4.401 13.619 6.455) 15.701 6.752 ( -11.949 24.774 8.810) 28.882 6.825 ( 10.945 14.275 2.405) 18.148 6.923 ( 7.176 5.214 -0.312) 8.876 7.108 ( -2.199 4.510 -9.330) 10.593 7.167 ( -1.593 12.965 -1.295) 13.127 7.280 ( -4.727 22.708 -4.847) 23.696 7.327 ( -13.162 17.236 -1.639) 21.748 7.485 ( 7.310 32.207 -2.840) 33.148 7.728 ( -11.976 28.488 -7.723) 31.853 7.841 ( 7.402 20.957 -17.996) 28.598 8.151 ( -16.763 17.280 -16.179) 29.006 8.520 ( 7.722 11.556 6.253) 15.240 8.575 ( 0.174 7.672 3.241) 8.331 8.589 ( -0.764 14.232 4.085) 14.826 8.706 ( -5.058 6.393 0.206) 8.155 9.100 ( 9.458 6.776 8.905) 14.651 9.308 ( -4.780 6.112 8.021) 11.159 9.559 ( -0.347 -6.071 -4.890) 7.803 9.620 ( -3.388 -0.119 -6.316) 7.168 10.028 ( 0.430 8.215 8.429) 11.778 10.082 ( -2.374 9.863 6.693) 12.153 10.163 ( 5.784 0.863 4.803) 7.568 10.336 ( 0.873 7.449 1.355) 7.621 10.381 ( -3.190 -2.664 1.566) 4.441 10.534 ( -8.014 0.926 1.693) 8.243 10.854 ( 2.638 1.101 0.144) 2.863 10.874 ( -0.402 10.346 -0.394) 10.361 10.941 ( 3.406 4.035 -4.730) 7.089 11.055 ( -6.017 -0.363 -6.991) 9.231 11.335 ( 7.396 5.442 -10.014) 13.587 11.399 ( 3.387 3.014 -4.048) 6.078 11.475 ( 2.311 12.734 -0.628) 12.957 11.519 ( 1.259 8.759 -3.573) 9.543 11.594 ( 5.119 6.941 2.986) 9.126 11.714 ( -6.819 4.841 1.257) 8.456 11.941 ( 2.067 13.754 8.764) 16.440 11.986 ( 0.112 12.182 8.003) 14.576 12.304 ( 13.721 1.309 -8.950) 16.435 12.569 ( -2.344 -2.935 -6.642) 7.630 12.614 ( -1.997 -1.659 3.732) 4.546 12.729 ( -9.880 -0.054 3.372) 10.440 12.836 ( 8.897 -3.659 -0.933) 9.665 13.005 ( -3.373 -4.118 0.054) 5.323 13.206 ( 2.850 -0.961 3.411) 4.547 13.323 ( -4.048 1.831 4.223) 6.129 13.387 ( -0.134 0.407 3.558) 3.584 13.461 ( -6.161 -0.492 7.064) 9.386 13.736 ( 4.510 -3.526 -5.013) 7.610 13.831 ( -2.935 -5.228 -3.297) 6.842 14.757 ( 8.036 1.202 0.372) 8.133 14.872 ( -2.171 2.620 -2.385) 4.155 15.487 ( 4.560 -15.842 -1.249) 16.533 15.583 ( 3.538 -18.944 -3.916) 19.666 15.636 ( -8.001 -17.353 1.242) 19.149 15.745 ( -9.504 -19.393 0.992) 21.620 17.847 ( 4.894 -10.520 -3.062) 12.000 17.907 ( -0.033 -11.837 -5.080) 12.881 18.497 ( 9.587 -3.828 5.763) 11.822 18.657 ( -5.685 -9.655 1.653) 11.325 18.857 ( 7.965 -18.397 0.909) 20.068 19.077 ( -4.288 -19.463 3.216) 20.188 19.190 ( -5.017 -18.044 -1.571) 18.795 19.292 ( -7.360 -22.670 -0.622) 23.843 ======================= Grid point 105 (40/81) ======================= q-point: ( 0.00 0.25 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 0.000 28.958 5.316) 29.442 3.502 ( 0.000 28.122 2.576) 28.240 4.001 ( 0.000 16.998 -2.181) 17.138 4.274 ( 0.000 8.413 9.982) 13.054 4.391 ( 0.000 17.001 0.447) 17.007 4.604 ( 0.000 11.276 -4.561) 12.163 4.647 ( 0.000 6.575 -9.143) 11.261 4.858 ( 0.000 2.989 -6.085) 6.780 5.015 ( 0.000 10.553 -0.474) 10.564 5.192 ( 0.000 9.514 -9.029) 13.116 5.532 ( 0.000 6.654 -7.721) 10.193 5.729 ( 0.000 10.281 2.955) 10.697 5.941 ( 0.000 6.183 1.542) 6.373 5.983 ( 0.000 16.360 11.899) 20.229 6.129 ( 0.000 3.808 -3.591) 5.234 6.482 ( 0.000 19.990 3.398) 20.277 6.555 ( 0.000 38.463 2.731) 38.560 6.616 ( 0.000 15.855 4.858) 16.582 6.685 ( 0.000 18.933 -3.542) 19.262 6.785 ( 0.000 29.011 0.951) 29.027 6.796 ( 0.000 11.792 10.884) 16.047 7.026 ( 0.000 17.334 8.730) 19.408 7.138 ( 0.000 19.588 -7.936) 21.134 7.229 ( 0.000 23.050 0.592) 23.057 7.405 ( 0.000 27.526 5.912) 28.154 7.527 ( 0.000 9.231 3.264) 9.791 7.995 ( 0.000 14.319 5.589) 15.371 8.122 ( 0.000 17.764 -11.404) 21.110 8.208 ( 0.000 19.586 -5.092) 20.237 8.217 ( 0.000 22.853 -3.026) 23.052 8.314 ( 0.000 15.652 -8.046) 17.599 8.515 ( 0.000 19.544 9.692) 21.815 8.573 ( 0.000 15.094 -11.223) 18.810 8.872 ( 0.000 4.662 -2.819) 5.447 9.005 ( 0.000 10.819 -4.574) 11.746 9.029 ( 0.000 20.967 5.110) 21.581 9.232 ( 0.000 5.446 -8.154) 9.805 9.433 ( 0.000 -3.121 -3.988) 5.064 9.500 ( 0.000 23.843 3.220) 24.060 9.687 ( 0.000 20.649 -1.544) 20.707 9.950 ( 0.000 -1.405 6.624) 6.771 10.135 ( 0.000 -9.648 1.048) 9.705 10.332 ( 0.000 2.283 0.745) 2.401 10.420 ( 0.000 -8.397 5.446) 10.008 10.487 ( 0.000 8.712 -3.804) 9.507 10.595 ( 0.000 -1.069 1.770) 2.068 10.703 ( 0.000 3.918 5.731) 6.942 11.010 ( 0.000 3.467 6.099) 7.015 11.021 ( 0.000 -3.114 -1.742) 3.568 11.203 ( 0.000 -4.418 1.793) 4.768 11.312 ( 0.000 5.730 -5.300) 7.806 11.315 ( 0.000 8.373 4.291) 9.408 11.567 ( 0.000 12.507 -1.837) 12.641 11.681 ( 0.000 16.600 -1.801) 16.697 11.734 ( 0.000 13.100 -12.352) 18.005 11.866 ( 0.000 5.538 -3.751) 6.689 12.058 ( 0.000 -1.271 -12.176) 12.243 12.063 ( 0.000 11.569 -0.121) 11.569 12.444 ( 0.000 18.368 0.475) 18.374 12.621 ( 0.000 1.562 5.340) 5.564 12.631 ( 0.000 -0.390 2.710) 2.738 12.704 ( 0.000 4.542 5.591) 7.203 12.780 ( 0.000 10.492 7.208) 12.729 12.983 ( 0.000 2.466 2.614) 3.593 13.173 ( 0.000 -1.982 4.010) 4.473 13.488 ( 0.000 0.956 8.111) 8.167 13.490 ( 0.000 8.539 4.730) 9.762 13.677 ( 0.000 -1.940 1.542) 2.478 13.697 ( 0.000 0.203 -5.547) 5.551 13.873 ( 0.000 -0.153 0.050) 0.161 14.388 ( 0.000 -6.352 1.743) 6.587 14.775 ( 0.000 -9.546 -8.372) 12.697 15.164 ( 0.000 -17.233 -8.511) 19.220 15.173 ( 0.000 -9.884 -4.831) 11.001 15.511 ( 0.000 -25.358 6.642) 26.213 15.557 ( 0.000 -20.226 1.018) 20.252 17.557 ( 0.000 -10.715 -6.680) 12.626 17.637 ( 0.000 -4.009 -5.728) 6.991 18.013 ( 0.000 -9.306 10.227) 13.827 18.399 ( 0.000 -19.227 -1.544) 19.289 18.511 ( 0.000 -14.915 -1.069) 14.954 18.528 ( 0.000 -23.295 -2.026) 23.383 19.037 ( 0.000 -21.502 5.752) 22.258 19.252 ( 0.000 -17.160 0.259) 17.162 ======================= Grid point 106 (41/81) ======================= q-point: ( 0.20 0.25 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 9.152 27.440 4.963) 29.349 3.564 ( 5.566 26.312 3.112) 27.074 3.981 ( -1.797 16.693 -3.238) 17.099 4.236 ( -3.625 11.175 7.324) 13.845 4.454 ( 4.175 5.669 -0.446) 7.054 4.576 ( -6.258 9.510 -0.791) 11.412 4.678 ( 3.793 17.001 -10.240) 20.206 4.845 ( -0.248 12.190 -6.651) 13.888 4.977 ( -2.566 8.103 1.559) 8.641 5.178 ( 1.353 5.196 -6.080) 8.111 5.568 ( 3.597 5.595 -0.714) 6.690 5.693 ( -8.522 11.414 3.138) 14.586 5.856 ( 4.168 8.860 2.890) 10.209 6.074 ( -0.782 10.686 -0.030) 10.715 6.237 ( 7.997 5.597 -7.361) 12.226 6.443 ( -5.804 18.245 4.022) 19.563 6.561 ( 0.212 33.552 1.330) 33.579 6.600 ( -2.756 16.524 -0.197) 16.754 6.694 ( 6.056 23.763 5.578) 25.149 6.758 ( 2.538 23.058 1.579) 23.251 6.865 ( 4.850 8.093 6.974) 11.733 7.012 ( 0.076 13.890 8.547) 16.309 7.156 ( -1.387 13.808 -8.325) 16.183 7.254 ( 1.495 23.613 4.678) 24.118 7.401 ( -0.323 37.090 5.349) 37.475 7.512 ( -1.343 11.677 5.375) 12.925 7.852 ( -10.444 9.183 4.695) 14.678 8.034 ( -14.530 19.668 -4.469) 24.858 8.143 ( 1.105 17.195 -11.340) 20.627 8.200 ( -1.106 29.787 -6.395) 30.486 8.426 ( 4.348 24.473 -5.480) 25.454 8.505 ( 2.719 10.593 1.909) 11.102 8.620 ( 4.025 20.756 -4.917) 21.707 8.767 ( -4.859 5.136 1.121) 7.159 9.005 ( -0.658 17.196 0.888) 17.232 9.112 ( 3.631 22.638 -5.340) 23.541 9.251 ( 1.959 9.732 -7.627) 12.518 9.443 ( -1.642 -3.503 -3.455) 5.186 9.540 ( 3.922 20.516 5.106) 21.503 9.750 ( 4.117 18.817 -3.379) 19.557 9.957 ( 2.379 -1.735 9.363) 9.815 10.174 ( 2.396 -5.461 2.067) 6.312 10.287 ( -3.864 6.917 2.054) 8.185 10.353 ( -4.432 -6.655 4.128) 8.999 10.467 ( -1.486 4.851 -2.313) 5.576 10.551 ( -2.522 -2.990 2.143) 4.460 10.669 ( -1.702 0.278 2.863) 3.343 10.966 ( -4.188 -4.976 -1.958) 6.792 11.047 ( 1.978 3.203 3.285) 4.996 11.174 ( -2.307 -2.164 0.037) 3.163 11.352 ( 2.481 5.304 -4.393) 7.320 11.380 ( 4.305 6.608 3.589) 8.665 11.593 ( 1.380 6.429 -2.439) 7.014 11.693 ( 3.297 16.177 -3.258) 16.828 11.745 ( 0.113 10.196 -13.120) 16.616 11.916 ( 2.039 8.162 2.675) 8.828 12.077 ( 4.879 7.788 -6.077) 11.018 12.135 ( 4.690 7.567 -2.702) 9.304 12.403 ( -4.261 14.949 -0.147) 15.545 12.591 ( -1.222 4.533 6.178) 7.759 12.627 ( 0.226 -2.529 5.102) 5.699 12.713 ( 2.167 7.622 2.389) 8.277 12.852 ( 1.682 2.929 8.587) 9.228 12.930 ( -2.597 1.285 -2.135) 3.599 13.172 ( -0.028 -1.857 2.945) 3.482 13.427 ( -2.921 4.638 4.852) 7.320 13.467 ( -2.962 0.776 7.210) 7.834 13.641 ( -6.913 1.099 -0.526) 7.020 13.706 ( 0.994 3.187 -2.661) 4.269 13.799 ( -2.512 -1.423 1.523) 3.264 14.515 ( 9.870 -5.492 0.835) 11.325 14.827 ( 4.080 -7.165 -7.274) 10.995 15.161 ( -0.303 -17.088 -7.475) 18.654 15.172 ( 0.218 -11.382 -4.739) 12.331 15.425 ( -6.892 -22.012 4.288) 23.461 15.500 ( -5.423 -20.914 1.361) 21.648 17.580 ( 2.133 -9.587 -5.188) 11.107 17.645 ( 0.860 -9.217 -4.204) 10.166 18.152 ( 11.328 -7.490 7.504) 15.516 18.398 ( 0.014 -19.119 -0.374) 19.122 18.464 ( -2.518 -16.464 0.759) 16.673 18.578 ( 3.458 -21.142 -3.415) 21.693 18.982 ( -4.951 -21.326 4.475) 22.346 19.148 ( -9.394 -15.646 0.476) 18.255 ======================= Grid point 107 (42/81) ======================= q-point: ( 0.40 0.25 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 15.293 21.912 2.347) 26.824 3.730 ( 10.261 21.377 4.930) 24.219 3.885 ( -6.706 18.437 -2.319) 19.755 4.112 ( -16.502 10.795 1.288) 19.761 4.333 ( 3.464 12.639 2.201) 13.288 4.522 ( -8.146 8.085 1.343) 11.556 4.764 ( 5.578 23.943 -2.904) 24.755 4.892 ( -5.251 14.841 -1.645) 15.828 4.985 ( 12.799 6.014 -7.182) 15.861 5.196 ( -3.829 1.736 -3.460) 5.445 5.552 ( 2.894 4.423 0.655) 5.326 5.754 ( -12.621 6.443 -8.435) 16.491 5.793 ( 10.804 8.430 0.849) 13.730 5.989 ( -5.361 8.825 3.076) 10.774 6.334 ( -0.323 22.311 8.516) 23.883 6.419 ( -3.264 15.858 5.039) 16.957 6.487 ( 6.625 12.334 -7.279) 15.779 6.648 ( -2.751 13.954 -4.913) 15.047 6.797 ( 7.328 29.996 -0.582) 30.884 6.874 ( 3.926 19.155 2.213) 19.678 7.016 ( 2.090 9.522 5.396) 11.143 7.049 ( -0.174 12.092 9.091) 15.129 7.141 ( 10.448 3.936 -1.191) 11.228 7.258 ( 1.488 13.005 3.699) 13.603 7.403 ( -8.321 18.662 2.512) 20.587 7.417 ( -1.619 41.074 4.079) 41.308 7.647 ( -7.473 16.509 4.558) 18.686 7.680 ( -13.611 15.431 1.850) 20.659 8.186 ( 2.280 24.530 -9.255) 26.316 8.202 ( 1.041 27.757 -7.399) 28.745 8.431 ( -0.527 32.062 -3.585) 32.266 8.476 ( -4.848 20.180 -9.159) 22.686 8.758 ( 7.959 16.599 1.806) 18.496 8.877 ( 8.041 11.498 2.550) 14.261 8.941 ( -1.482 14.773 -1.078) 14.887 9.117 ( -4.638 28.809 -7.258) 30.069 9.285 ( 1.232 10.438 -6.096) 12.151 9.348 ( -5.415 0.253 -2.791) 6.097 9.652 ( 5.889 17.170 4.898) 18.801 9.757 ( -3.269 16.561 1.122) 16.918 10.086 ( 7.387 2.648 6.946) 10.480 10.187 ( -1.911 1.933 3.659) 4.559 10.243 ( 0.788 4.838 4.077) 6.375 10.280 ( -2.481 -4.132 2.824) 5.586 10.439 ( -0.150 1.704 -0.826) 1.899 10.486 ( -3.610 -2.324 2.675) 5.058 10.712 ( 5.468 -6.339 -1.940) 8.594 10.850 ( -6.546 -7.087 -2.793) 10.044 11.073 ( 0.915 3.221 0.767) 3.435 11.112 ( -2.884 0.961 0.393) 3.065 11.398 ( 1.994 1.552 -3.765) 4.534 11.428 ( -0.219 1.988 0.177) 2.008 11.643 ( 3.875 5.234 -6.820) 9.430 11.720 ( -2.546 6.453 -12.548) 14.338 11.813 ( 5.948 14.065 -0.238) 15.273 11.909 ( -2.605 12.941 1.658) 13.304 12.198 ( 3.955 10.381 5.581) 12.432 12.234 ( 1.727 10.405 4.073) 11.306 12.360 ( 5.143 5.549 -4.383) 8.744 12.541 ( -6.394 1.033 -3.108) 7.184 12.624 ( 1.243 2.678 7.575) 8.130 12.713 ( -7.668 -0.824 7.167) 10.528 12.836 ( 7.972 4.615 2.649) 9.584 12.965 ( -1.242 1.035 2.336) 2.841 13.196 ( 4.125 -0.122 -0.575) 4.166 13.350 ( -7.926 -0.239 -2.815) 8.414 13.402 ( 1.076 2.736 3.973) 4.942 13.478 ( -5.848 2.707 6.290) 9.005 13.732 ( 1.717 2.948 0.232) 3.419 13.770 ( -1.474 -0.534 1.317) 2.047 14.742 ( 10.176 -3.537 -0.638) 10.792 14.880 ( -1.304 -2.215 -4.481) 5.166 15.163 ( 1.324 -17.156 -3.804) 17.623 15.202 ( 1.831 -17.298 -2.877) 17.631 15.274 ( -4.683 -18.239 -0.655) 18.842 15.353 ( -7.293 -19.048 -0.719) 20.409 17.634 ( 2.345 -10.854 -3.589) 11.670 17.660 ( 0.042 -12.191 -3.472) 12.676 18.343 ( 2.948 -13.312 3.861) 14.171 18.385 ( -1.991 -16.621 2.002) 16.859 18.533 ( 12.872 -12.240 2.183) 17.897 18.678 ( 5.339 -19.671 -0.977) 20.406 18.843 ( -7.716 -20.703 0.686) 22.105 18.886 ( -13.344 -14.043 0.508) 19.378 ======================= Grid point 110 (43/81) ======================= q-point: ( 0.00 0.31 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 0.000 20.915 2.152) 21.026 3.966 ( 0.000 17.973 -4.562) 18.543 4.282 ( 0.000 11.940 5.128) 12.994 4.464 ( 0.000 9.639 5.827) 11.263 4.552 ( 0.000 2.890 -2.207) 3.636 4.653 ( 0.000 1.277 -0.309) 1.314 4.847 ( 0.000 -2.120 -0.797) 2.265 5.033 ( 0.000 16.459 -11.436) 20.042 5.360 ( 0.000 21.454 -2.204) 21.567 5.384 ( 0.000 13.475 0.977) 13.511 5.697 ( 0.000 10.292 -4.100) 11.078 5.954 ( 0.000 12.101 0.491) 12.111 6.054 ( 0.000 6.066 3.258) 6.885 6.127 ( 0.000 -0.003 -3.016) 3.016 6.313 ( 0.000 15.798 2.737) 16.033 6.685 ( 0.000 1.377 5.915) 6.074 6.803 ( 0.000 4.722 9.389) 10.510 6.824 ( 0.000 -1.625 -6.279) 6.486 6.855 ( 0.000 2.169 6.909) 7.242 7.122 ( 0.000 11.028 -4.209) 11.804 7.274 ( 0.000 19.206 2.071) 19.317 7.405 ( 0.000 6.901 1.309) 7.024 7.464 ( 0.000 22.785 -0.599) 22.793 7.482 ( 0.000 13.489 5.985) 14.757 7.571 ( 0.000 5.713 -0.071) 5.713 8.122 ( 0.000 12.922 -1.690) 13.032 8.141 ( 0.000 -0.440 -2.544) 2.582 8.276 ( 0.000 15.117 9.127) 17.658 8.370 ( 0.000 0.104 -10.067) 10.068 8.685 ( 0.000 -5.901 -3.701) 6.965 8.733 ( 0.000 22.016 -3.014) 22.222 8.808 ( 0.000 12.313 -3.488) 12.797 8.923 ( 0.000 14.354 0.949) 14.386 8.992 ( 0.000 8.910 -2.841) 9.352 9.137 ( 0.000 24.085 0.681) 24.094 9.295 ( 0.000 9.175 -0.247) 9.178 9.461 ( 0.000 9.213 5.030) 10.497 9.645 ( 0.000 -3.910 1.203) 4.091 9.703 ( 0.000 18.575 -2.058) 18.688 9.881 ( 0.000 14.961 -5.438) 15.918 10.155 ( 0.000 -6.162 -1.417) 6.323 10.195 ( 0.000 10.617 0.916) 10.656 10.348 ( 0.000 20.643 -2.455) 20.788 10.378 ( 0.000 -5.432 -2.439) 5.954 10.670 ( 0.000 24.107 6.083) 24.862 10.854 ( 0.000 11.388 5.233) 12.533 10.924 ( 0.000 -2.184 0.228) 2.196 10.952 ( 0.000 21.710 -0.094) 21.710 11.043 ( 0.000 0.748 4.107) 4.175 11.090 ( 0.000 -2.990 2.286) 3.764 11.321 ( 0.000 -3.922 -4.192) 5.740 11.473 ( 0.000 8.089 3.945) 9.000 11.642 ( 0.000 -3.586 -13.581) 14.046 11.835 ( 0.000 1.277 -14.475) 14.532 11.951 ( 0.000 10.541 -3.246) 11.030 12.080 ( 0.000 6.811 1.279) 6.930 12.216 ( 0.000 21.392 -0.552) 21.399 12.340 ( 0.000 15.128 1.527) 15.205 12.615 ( 0.000 3.169 8.123) 8.720 12.666 ( 0.000 1.943 14.240) 14.372 12.837 ( 0.000 15.796 -5.297) 16.660 12.859 ( 0.000 8.560 3.438) 9.224 13.009 ( 0.000 11.374 4.981) 12.416 13.042 ( 0.000 1.533 5.214) 5.435 13.188 ( 0.000 7.174 1.638) 7.358 13.534 ( 0.000 4.269 7.626) 8.740 13.609 ( 0.000 3.569 1.193) 3.763 13.701 ( 0.000 4.065 0.138) 4.067 13.754 ( 0.000 4.718 -0.414) 4.737 13.903 ( 0.000 3.791 -1.248) 3.992 14.215 ( 0.000 -10.062 0.345) 10.068 14.455 ( 0.000 -20.415 -7.226) 21.656 14.885 ( 0.000 -11.726 -6.462) 13.389 15.017 ( 0.000 -6.345 -6.589) 9.148 15.067 ( 0.000 -18.105 3.438) 18.428 15.158 ( 0.000 -19.228 -1.359) 19.276 17.329 ( 0.000 -11.237 -1.049) 11.286 17.548 ( 0.000 -5.015 -6.807) 8.455 17.840 ( 0.000 -8.495 3.084) 9.038 18.020 ( 0.000 -18.684 2.599) 18.864 18.095 ( 0.000 -19.010 -2.451) 19.167 18.210 ( 0.000 -15.011 -3.010) 15.310 18.643 ( 0.000 -18.086 7.743) 19.674 18.890 ( 0.000 -19.207 0.309) 19.209 ======================= Grid point 111 (44/81) ======================= q-point: ( 0.20 0.31 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 6.619 20.023 1.669) 21.155 3.994 ( 2.654 16.282 -3.945) 16.962 4.268 ( -0.779 12.733 3.630) 13.263 4.442 ( -4.926 9.160 2.822) 10.777 4.517 ( -1.375 2.361 -1.117) 2.952 4.647 ( 0.651 0.481 2.683) 2.802 4.922 ( 3.640 0.788 -3.473) 5.092 5.062 ( 3.372 10.696 -11.272) 15.901 5.319 ( -0.981 21.348 2.008) 21.465 5.372 ( -1.591 16.773 -0.530) 16.856 5.711 ( 0.960 11.212 0.796) 11.282 5.911 ( -6.072 10.341 1.121) 12.045 6.030 ( 0.783 9.080 0.146) 9.115 6.159 ( 0.475 -0.090 -2.317) 2.367 6.382 ( 3.771 10.567 -4.074) 11.936 6.708 ( -6.307 6.418 8.690) 12.509 6.729 ( 4.519 1.600 0.128) 4.796 6.810 ( 1.311 -1.843 -1.670) 2.811 6.907 ( 3.977 3.790 6.098) 8.207 7.093 ( 0.171 7.709 2.239) 8.029 7.160 ( -13.159 12.375 5.600) 18.912 7.335 ( 3.853 16.963 -0.157) 17.396 7.459 ( -1.832 15.902 -0.957) 16.036 7.601 ( 6.926 15.443 7.396) 18.470 7.690 ( 5.029 12.106 -0.809) 13.134 7.986 ( -10.342 9.117 -0.799) 13.810 8.117 ( -3.527 13.412 0.175) 13.869 8.158 ( -16.633 1.038 -2.366) 16.832 8.410 ( 10.264 4.892 0.306) 11.374 8.598 ( 1.121 2.337 -5.283) 5.884 8.734 ( -3.774 9.754 -8.814) 13.678 8.924 ( 8.725 25.881 -1.312) 27.344 9.005 ( 4.377 16.548 -1.153) 17.156 9.044 ( 1.697 9.176 -2.871) 9.763 9.169 ( 3.872 9.545 2.736) 10.658 9.289 ( -0.982 13.521 1.376) 13.626 9.520 ( 6.312 11.104 1.051) 12.816 9.746 ( 3.445 10.069 -2.000) 10.828 9.766 ( 7.879 11.087 0.296) 13.605 9.968 ( 7.673 11.382 -2.827) 14.014 10.051 ( -5.085 2.332 -1.145) 5.710 10.202 ( -4.628 1.430 -3.279) 5.849 10.335 ( 5.309 12.211 2.625) 13.572 10.438 ( 0.686 8.325 -0.548) 8.371 10.635 ( -3.760 17.294 5.065) 18.409 10.730 ( -12.700 8.054 1.838) 15.150 10.807 ( -4.067 5.846 0.481) 7.138 10.859 ( -4.506 13.221 0.850) 13.994 11.058 ( 1.286 -1.910 4.605) 5.149 11.120 ( -0.682 -0.262 1.861) 2.000 11.366 ( 2.025 -2.652 -3.008) 4.492 11.532 ( 3.852 8.843 2.287) 9.913 11.647 ( -0.207 -1.874 -12.944) 13.081 11.813 ( -1.699 -0.279 -12.886) 13.000 11.993 ( 3.644 12.007 -3.376) 12.994 12.122 ( 2.657 7.843 2.870) 8.764 12.242 ( 3.256 14.424 -2.204) 14.950 12.371 ( 2.568 13.987 2.952) 14.524 12.592 ( -5.823 3.719 10.598) 12.651 12.621 ( -0.556 2.067 7.327) 7.633 12.750 ( -4.001 12.109 -0.646) 12.770 12.918 ( 2.934 7.589 1.651) 8.302 12.959 ( -6.360 4.507 3.583) 8.579 13.039 ( 1.875 12.005 6.485) 13.773 13.179 ( -0.208 5.144 1.282) 5.305 13.490 ( -7.484 1.864 3.488) 8.465 13.523 ( -1.019 5.796 2.942) 6.580 13.696 ( -2.424 4.141 -1.833) 5.136 13.795 ( -0.965 2.940 1.150) 3.301 13.829 ( -1.243 6.314 1.728) 6.664 14.351 ( 10.330 -10.072 0.138) 14.429 14.557 ( 8.400 -17.973 -6.657) 20.926 14.883 ( -0.426 -11.076 -5.886) 12.551 14.998 ( -2.025 -8.312 -5.807) 10.339 15.025 ( -3.557 -15.637 1.343) 16.093 15.106 ( -4.434 -18.529 -1.440) 19.106 17.355 ( 2.178 -11.383 -1.380) 11.672 17.495 ( -2.971 -6.658 -4.549) 8.593 17.976 ( 8.710 -10.610 -0.212) 13.729 18.016 ( 0.014 -18.754 1.860) 18.846 18.123 ( 2.891 -16.155 -0.374) 16.416 18.218 ( 1.961 -15.260 -1.775) 15.487 18.592 ( -4.624 -17.790 6.885) 19.628 18.816 ( -6.813 -17.721 0.367) 18.989 ======================= Grid point 112 (45/81) ======================= q-point: ( 0.40 0.31 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( 10.699 16.414 0.264) 19.594 4.083 ( 5.949 13.526 -2.203) 14.940 4.201 ( -5.830 13.396 -2.225) 14.778 4.299 ( -10.331 7.773 0.356) 12.933 4.497 ( 4.087 5.667 2.992) 7.601 4.627 ( -4.855 3.007 5.708) 8.075 5.027 ( 7.414 1.031 -4.579) 8.775 5.131 ( 0.202 3.509 -7.886) 8.634 5.333 ( 0.643 23.807 0.676) 23.826 5.336 ( -0.932 18.843 1.326) 18.912 5.694 ( 1.202 11.889 -0.003) 11.950 5.864 ( -10.515 5.437 -6.768) 13.636 5.952 ( 5.207 7.840 1.057) 9.471 6.099 ( -5.364 3.202 2.275) 6.649 6.524 ( 7.916 5.600 -3.723) 10.387 6.614 ( -1.716 6.150 9.391) 11.356 6.742 ( -0.401 6.392 -6.051) 8.811 6.863 ( -10.331 10.041 2.606) 14.640 7.033 ( 10.814 -0.504 1.325) 10.906 7.037 ( 4.972 3.703 7.462) 9.701 7.149 ( 5.800 -0.746 9.311) 10.995 7.363 ( -4.472 7.120 0.458) 8.420 7.464 ( 4.251 25.540 -1.804) 25.954 7.597 ( -4.947 23.973 0.904) 24.495 7.736 ( -7.597 16.270 -0.968) 17.982 7.776 ( -12.806 9.318 1.884) 15.949 7.885 ( 7.714 6.212 2.999) 10.349 8.037 ( -5.611 12.076 2.857) 13.619 8.545 ( 3.186 7.580 -7.194) 10.925 8.614 ( -3.104 12.715 -4.788) 13.937 8.821 ( 11.782 -8.300 -8.677) 16.823 9.005 ( -4.520 1.693 -4.025) 6.285 9.089 ( 6.896 22.639 -0.598) 23.674 9.122 ( 5.559 27.533 0.912) 28.103 9.209 ( -1.955 4.599 1.065) 5.110 9.233 ( -4.730 27.528 0.387) 27.934 9.678 ( 6.376 16.421 -4.150) 18.098 9.759 ( -1.059 20.084 -4.496) 20.608 9.925 ( 3.860 11.436 2.362) 12.299 9.993 ( -0.797 6.375 0.338) 6.434 10.118 ( 5.164 -6.357 2.172) 8.473 10.213 ( 8.842 9.810 -2.782) 13.497 10.326 ( -9.752 4.403 6.146) 12.339 10.429 ( -6.342 13.499 5.199) 15.794 10.500 ( 1.179 5.603 -0.637) 5.761 10.575 ( -2.446 8.498 1.070) 8.907 10.765 ( -0.237 9.967 -1.269) 10.050 10.788 ( -2.223 12.604 -1.447) 12.880 11.078 ( 0.233 -2.182 3.857) 4.438 11.087 ( -1.171 -1.089 3.402) 3.759 11.405 ( 2.970 -0.421 -2.912) 4.180 11.509 ( -5.644 4.844 -3.577) 8.253 11.682 ( 4.157 -0.605 -8.565) 9.540 11.771 ( -3.090 -0.514 -10.529) 10.985 12.073 ( 3.334 10.036 -1.936) 10.751 12.137 ( -1.937 9.048 1.090) 9.317 12.348 ( 4.980 6.902 0.668) 8.537 12.406 ( -0.777 8.362 7.282) 11.115 12.511 ( 3.398 8.694 0.707) 9.361 12.621 ( -0.919 6.378 4.021) 7.596 12.713 ( -1.301 6.817 6.368) 9.419 12.742 ( -8.663 3.857 5.469) 10.947 13.020 ( 3.828 11.218 3.448) 12.344 13.072 ( -0.270 9.543 4.319) 10.478 13.200 ( 3.589 1.456 -0.611) 3.921 13.333 ( -7.375 -0.705 1.340) 7.529 13.509 ( 1.034 8.098 -1.985) 8.402 13.587 ( -5.484 8.013 0.517) 9.724 13.797 ( 1.143 2.822 4.065) 5.079 13.820 ( -0.843 5.182 3.023) 6.058 14.595 ( 11.800 -10.566 -0.074) 15.839 14.751 ( 8.082 -12.965 -5.633) 16.283 14.822 ( -6.719 -12.950 -0.975) 14.622 14.906 ( -5.110 -14.102 -3.317) 15.362 14.977 ( -0.674 -10.452 -5.245) 11.714 15.008 ( -3.627 -14.921 -3.483) 15.745 17.406 ( 2.291 -11.088 -2.205) 11.535 17.448 ( -1.743 -9.298 -3.181) 9.981 18.014 ( 0.700 -17.433 0.843) 17.467 18.042 ( -1.386 -16.756 -1.529) 16.883 18.287 ( 8.981 -15.547 0.936) 17.979 18.349 ( 11.166 -12.172 1.398) 16.576 18.459 ( -7.464 -17.145 4.494) 19.232 18.613 ( -11.752 -14.220 0.693) 18.461 ======================= Grid point 115 (46/81) ======================= q-point: ( 0.00 0.38 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( 0.000 14.577 0.861) 14.602 4.226 ( 0.000 9.008 -2.048) 9.238 4.505 ( 0.000 9.466 0.223) 9.469 4.564 ( 0.000 -0.968 0.217) 0.992 4.631 ( 0.000 7.367 3.236) 8.047 4.688 ( 0.000 1.933 -2.291) 2.998 4.796 ( 0.000 -2.783 0.191) 2.789 5.144 ( 0.000 -1.414 -9.275) 9.382 5.781 ( 0.000 20.886 8.093) 22.399 5.792 ( 0.000 19.118 0.947) 19.141 5.949 ( 0.000 14.904 -2.695) 15.146 6.125 ( 0.000 4.074 -1.716) 4.421 6.208 ( 0.000 9.768 -1.859) 9.943 6.209 ( 0.000 10.493 3.099) 10.941 6.510 ( 0.000 -2.472 -3.989) 4.692 6.733 ( 0.000 -7.797 -0.122) 7.798 6.794 ( 0.000 15.620 4.429) 16.236 6.851 ( 0.000 -2.511 -0.251) 2.523 6.855 ( 0.000 3.208 8.374) 8.967 7.126 ( 0.000 -3.827 -1.653) 4.169 7.484 ( 0.000 2.119 5.872) 6.242 7.524 ( 0.000 3.923 -3.537) 5.282 7.579 ( 0.000 -0.525 -2.222) 2.283 7.779 ( 0.000 7.534 -1.286) 7.642 7.833 ( 0.000 13.671 3.490) 14.109 8.158 ( 0.000 2.798 -0.207) 2.805 8.345 ( 0.000 8.707 -3.906) 9.543 8.356 ( 0.000 -1.917 -6.836) 7.100 8.469 ( 0.000 4.630 3.699) 5.926 8.483 ( 0.000 -9.875 -2.078) 10.091 8.551 ( 0.000 -9.859 1.353) 9.951 8.757 ( 0.000 -10.972 -1.776) 11.115 9.114 ( 0.000 -0.329 3.959) 3.972 9.404 ( 0.000 2.831 -5.397) 6.095 9.417 ( 0.000 7.284 8.096) 10.890 9.616 ( 0.000 8.847 -2.129) 9.100 9.622 ( 0.000 8.282 0.564) 8.301 9.784 ( 0.000 20.067 -0.551) 20.074 9.833 ( 0.000 -1.189 3.088) 3.309 10.001 ( 0.000 -2.585 -1.305) 2.896 10.292 ( 0.000 17.520 -5.215) 18.280 10.432 ( 0.000 25.791 -8.583) 27.181 10.595 ( 0.000 14.491 4.639) 15.215 10.676 ( 0.000 12.337 0.126) 12.337 10.937 ( 0.000 5.695 0.289) 5.702 10.942 ( 0.000 -0.797 4.219) 4.294 10.984 ( 0.000 1.926 3.303) 3.824 11.110 ( 0.000 14.334 -5.264) 15.270 11.213 ( 0.000 -0.453 0.591) 0.745 11.346 ( 0.000 17.919 4.491) 18.473 11.381 ( 0.000 12.854 -4.253) 13.540 11.465 ( 0.000 -11.340 -7.807) 13.768 11.665 ( 0.000 10.960 0.337) 10.965 11.860 ( 0.000 0.851 -11.694) 11.725 12.160 ( 0.000 11.720 2.843) 12.060 12.274 ( 0.000 10.875 3.313) 11.368 12.554 ( 0.000 7.192 6.560) 9.734 12.610 ( 0.000 10.408 4.238) 11.238 12.715 ( 0.000 6.990 4.163) 8.136 12.767 ( 0.000 11.001 14.814) 18.452 12.940 ( 0.000 0.330 -1.055) 1.105 13.060 ( 0.000 2.799 2.408) 3.692 13.067 ( 0.000 5.667 -6.099) 8.325 13.179 ( 0.000 4.104 2.563) 4.838 13.497 ( 0.000 19.802 4.068) 20.216 13.666 ( 0.000 8.806 1.956) 9.020 13.702 ( 0.000 6.239 1.247) 6.362 13.789 ( 0.000 2.697 -1.158) 2.935 13.839 ( 0.000 3.893 1.292) 4.102 14.017 ( 0.000 5.398 -0.792) 5.456 14.051 ( 0.000 -4.048 -1.190) 4.220 14.092 ( 0.000 -10.447 -2.296) 10.696 14.653 ( 0.000 -12.073 -6.953) 13.932 14.801 ( 0.000 -8.609 -0.805) 8.647 14.801 ( 0.000 -15.754 -1.828) 15.860 14.902 ( 0.000 -5.751 -6.832) 8.930 17.149 ( 0.000 -5.793 1.824) 6.074 17.438 ( 0.000 -5.664 -5.991) 8.244 17.662 ( 0.000 -9.345 -1.785) 9.514 17.669 ( 0.000 -15.471 -1.754) 15.570 17.789 ( 0.000 -11.740 1.999) 11.909 17.925 ( 0.000 -13.116 -3.849) 13.669 18.303 ( 0.000 -16.117 8.708) 18.319 18.488 ( 0.000 -20.694 2.029) 20.793 ======================= Grid point 116 (47/81) ======================= q-point: ( 0.20 0.38 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.153 ( 4.474 13.359 0.067) 14.088 4.228 ( 0.939 8.332 -1.530) 8.523 4.490 ( -1.764 6.335 -1.861) 6.834 4.546 ( -2.963 3.671 1.752) 5.033 4.597 ( -3.560 4.395 -0.906) 5.728 4.659 ( 2.023 2.669 3.885) 5.129 4.897 ( 5.685 -2.436 -1.946) 6.484 5.129 ( -1.030 -1.614 -10.164) 10.342 5.677 ( -3.490 15.340 5.847) 16.783 5.787 ( -2.359 19.834 2.625) 20.145 5.999 ( 3.328 10.321 -0.985) 10.889 6.144 ( -4.374 17.118 0.846) 17.688 6.188 ( -0.095 5.041 -2.551) 5.650 6.236 ( -0.343 11.812 -0.498) 11.828 6.503 ( 2.112 -1.407 -4.209) 4.915 6.687 ( -2.704 -7.105 11.188) 13.527 6.774 ( -0.385 -0.978 -4.645) 4.762 6.812 ( 3.501 6.833 2.717) 8.144 6.991 ( 5.815 5.448 4.506) 9.154 7.112 ( -0.151 0.383 0.322) 0.523 7.303 ( -11.990 4.060 7.223) 14.575 7.525 ( -1.418 1.649 -1.486) 2.635 7.647 ( 7.644 2.169 -1.873) 8.163 7.846 ( 3.057 10.541 0.012) 10.975 7.965 ( 5.823 10.295 -0.484) 11.838 8.146 ( -4.613 3.762 -2.907) 6.624 8.175 ( -10.232 3.245 0.802) 10.764 8.296 ( 1.026 4.558 -3.502) 5.839 8.449 ( 0.788 0.205 0.948) 1.249 8.520 ( 3.491 -0.063 -8.138) 8.856 8.706 ( -1.454 -10.474 -3.553) 11.155 8.776 ( 8.337 -13.852 1.182) 16.210 9.108 ( 0.205 0.449 4.840) 4.866 9.371 ( -3.497 7.296 5.403) 9.729 9.471 ( 4.507 0.318 -0.278) 4.527 9.682 ( 5.013 9.089 -3.541) 10.967 9.687 ( 6.046 8.672 0.548) 10.586 9.786 ( 1.388 5.385 0.874) 5.629 9.914 ( 7.094 6.988 1.250) 10.036 10.058 ( 3.547 1.721 -0.795) 4.022 10.357 ( 5.555 19.591 -5.111) 20.995 10.432 ( -0.483 23.978 -7.065) 25.001 10.596 ( 0.342 11.398 3.616) 11.963 10.697 ( 1.612 11.040 0.292) 11.160 10.729 ( -12.636 9.078 4.009) 16.067 10.964 ( -10.980 13.536 -3.404) 17.759 10.987 ( 1.953 -0.931 2.156) 3.054 11.013 ( 1.776 3.455 2.057) 4.396 11.189 ( -5.428 6.719 -1.040) 8.700 11.272 ( -4.264 15.581 3.414) 16.511 11.359 ( -0.810 3.334 -4.746) 5.856 11.495 ( 1.371 -10.414 -5.987) 12.090 11.754 ( 4.542 12.472 -0.181) 13.274 11.822 ( -2.389 1.960 -9.302) 9.802 12.176 ( 0.731 8.682 3.193) 9.280 12.316 ( 1.771 8.995 4.720) 10.311 12.498 ( -2.079 9.045 3.665) 9.978 12.620 ( -0.030 9.418 5.660) 10.988 12.691 ( -3.667 7.042 4.782) 9.268 12.734 ( -0.596 8.637 7.498) 11.453 12.950 ( -4.215 6.199 -5.097) 9.065 12.976 ( -0.472 1.677 -0.145) 1.748 13.021 ( -1.588 1.567 2.161) 3.106 13.255 ( 4.394 6.880 7.734) 11.245 13.437 ( -4.726 16.993 1.870) 17.737 13.547 ( -9.924 5.334 3.238) 11.722 13.704 ( 1.582 12.193 -1.430) 12.378 13.780 ( 1.616 4.365 -0.819) 4.726 13.893 ( -2.468 6.431 -2.716) 7.404 13.966 ( -0.506 6.564 5.011) 8.273 14.168 ( 8.276 -6.522 -0.952) 10.580 14.230 ( 11.360 -12.047 -3.007) 16.829 14.667 ( 0.906 -11.106 -6.213) 12.758 14.746 ( -4.036 -12.543 -2.375) 13.389 14.782 ( -2.498 -11.336 -1.570) 11.713 14.874 ( -2.461 -6.232 -6.947) 9.652 17.172 ( 1.986 -6.073 1.113) 6.486 17.371 ( -4.244 -5.515 -3.987) 8.020 17.672 ( 0.539 -14.994 -1.541) 15.083 17.733 ( 2.742 -12.753 -4.782) 13.893 17.853 ( 5.877 -11.135 1.484) 12.678 17.948 ( 3.470 -11.934 -1.032) 12.471 18.260 ( -3.849 -15.585 8.323) 18.082 18.443 ( -4.255 -19.294 1.845) 19.844 ======================= Grid point 117 (48/81) ======================= q-point: ( 0.40 0.38 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.267 ( 5.668 7.642 -1.410) 9.619 4.295 ( 5.528 9.368 -1.202) 10.944 4.394 ( -6.013 4.600 -2.395) 7.940 4.436 ( -6.774 6.493 -0.264) 9.387 4.603 ( 3.140 5.570 2.160) 6.749 4.672 ( -1.973 2.419 3.158) 4.440 5.012 ( 5.615 -2.245 -3.710) 7.094 5.106 ( -2.192 -3.497 -7.574) 8.626 5.660 ( 2.923 12.501 4.578) 13.631 5.772 ( -2.850 18.031 2.525) 18.429 5.936 ( -2.617 6.379 -1.892) 7.150 6.044 ( -8.640 8.587 -4.175) 12.877 6.152 ( 4.420 18.409 0.048) 18.932 6.234 ( -2.222 12.878 1.187) 13.122 6.586 ( 3.267 -1.444 4.649) 5.863 6.635 ( -1.897 -4.240 5.869) 7.485 6.817 ( 5.112 0.304 -2.437) 5.671 6.938 ( -2.304 -1.143 6.716) 7.192 7.073 ( 7.551 4.944 -1.899) 9.223 7.129 ( 1.253 6.971 2.541) 7.525 7.174 ( 1.945 6.725 7.917) 10.569 7.389 ( -11.552 -1.427 1.048) 11.687 7.790 ( 5.677 5.418 -6.236) 10.023 7.898 ( -2.257 2.508 -7.294) 8.036 8.012 ( -0.581 13.072 0.185) 13.087 8.021 ( -1.813 14.056 0.887) 14.200 8.076 ( 2.827 11.927 3.966) 12.883 8.225 ( -7.198 8.185 3.691) 11.508 8.560 ( 3.319 -6.650 -9.623) 12.159 8.600 ( 1.346 -6.500 -8.064) 10.445 8.693 ( 6.252 -5.335 -3.030) 8.759 8.846 ( -3.513 -11.791 -4.496) 13.099 9.168 ( 5.274 0.105 7.865) 9.470 9.281 ( -4.792 2.726 6.665) 8.650 9.570 ( 4.725 1.133 -0.111) 4.860 9.668 ( -4.109 3.092 -2.304) 5.635 9.863 ( 9.505 9.490 0.647) 13.447 9.970 ( 11.654 2.656 0.877) 11.985 10.028 ( -1.662 7.201 -0.727) 7.426 10.119 ( 3.740 6.584 -0.119) 7.573 10.352 ( -5.669 17.381 -0.381) 18.286 10.411 ( -7.130 15.713 -1.643) 17.333 10.548 ( 5.117 18.858 -1.023) 19.567 10.670 ( 1.108 11.679 0.935) 11.769 10.730 ( -4.895 13.523 -2.159) 14.542 10.755 ( 1.437 11.093 -0.721) 11.209 10.980 ( -1.961 1.772 -0.055) 2.643 11.013 ( -6.022 3.391 1.336) 7.039 11.114 ( 2.593 7.237 2.104) 7.970 11.166 ( -3.620 10.221 2.812) 11.202 11.399 ( 4.042 0.288 -4.647) 6.166 11.498 ( -2.453 -7.034 -7.882) 10.845 11.716 ( 0.030 5.498 -1.093) 5.606 11.816 ( -4.567 8.385 -3.105) 10.041 12.191 ( 2.781 3.733 4.571) 6.524 12.285 ( -4.138 5.512 4.735) 8.362 12.526 ( 2.062 10.578 0.755) 10.804 12.563 ( -1.944 7.128 4.181) 8.490 12.698 ( 4.484 8.610 0.029) 9.708 12.783 ( 4.069 6.793 6.088) 9.988 12.838 ( -6.795 6.434 -0.952) 9.407 12.892 ( -4.036 9.640 4.082) 11.220 13.109 ( 6.373 -1.080 0.130) 6.466 13.277 ( -8.893 1.866 0.521) 9.102 13.335 ( 2.738 12.660 7.177) 14.808 13.399 ( -3.806 13.271 5.900) 15.014 13.720 ( 1.012 11.887 -5.196) 13.012 13.770 ( -3.110 9.452 -4.114) 10.767 13.882 ( 2.607 5.908 3.240) 7.224 13.938 ( -2.208 7.034 4.995) 8.905 14.375 ( 9.998 -10.138 -0.052) 14.239 14.468 ( 8.450 -12.186 -1.975) 14.960 14.601 ( -5.719 -10.159 -2.070) 11.840 14.677 ( -5.694 -8.738 -3.463) 10.990 14.744 ( 2.026 -11.229 -6.837) 13.302 14.809 ( -3.393 -7.959 -7.063) 11.169 17.225 ( 2.857 -6.363 -0.362) 6.984 17.290 ( -3.298 -6.026 -2.041) 7.167 17.693 ( 1.556 -14.128 -2.902) 14.507 17.733 ( -1.767 -13.970 -4.735) 14.856 17.991 ( 6.789 -13.156 2.842) 15.074 18.091 ( 5.247 -13.411 -0.780) 14.422 18.162 ( -2.074 -13.322 8.012) 15.683 18.310 ( -7.960 -15.861 1.798) 17.837 ======================= Grid point 120 (49/81) ======================= q-point: ( 0.00 0.44 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.348 ( 0.000 10.293 0.557) 10.308 4.366 ( 0.000 5.592 1.189) 5.717 4.528 ( 0.000 -2.561 1.612) 3.026 4.600 ( 0.000 -0.349 -0.889) 0.955 4.721 ( 0.000 1.246 -3.130) 3.369 4.740 ( 0.000 -0.319 -2.906) 2.923 4.799 ( 0.000 7.396 1.010) 7.465 5.070 ( 0.000 -5.197 -5.943) 7.895 6.057 ( 0.000 8.732 1.150) 8.808 6.060 ( 0.000 8.028 8.063) 11.378 6.247 ( 0.000 12.171 -1.211) 12.231 6.293 ( 0.000 10.238 -2.258) 10.484 6.346 ( 0.000 -2.817 0.457) 2.853 6.446 ( 0.000 6.577 0.868) 6.634 6.462 ( 0.000 1.525 -2.938) 3.310 6.569 ( 0.000 4.776 7.164) 8.610 6.774 ( 0.000 -4.569 -0.005) 4.569 6.858 ( 0.000 -0.015 2.056) 2.056 7.038 ( 0.000 -4.677 0.616) 4.717 7.163 ( 0.000 8.002 -4.723) 9.292 7.526 ( 0.000 5.348 -3.330) 6.300 7.544 ( 0.000 -1.527 1.107) 1.886 7.591 ( 0.000 9.447 -1.465) 9.559 7.745 ( 0.000 -8.838 2.130) 9.091 8.009 ( 0.000 3.128 3.363) 4.593 8.168 ( 0.000 -7.225 -2.680) 7.706 8.293 ( 0.000 -7.021 2.408) 7.423 8.328 ( 0.000 2.398 -3.845) 4.531 8.382 ( 0.000 -3.512 2.382) 4.244 8.471 ( 0.000 -0.094 -1.461) 1.464 8.510 ( 0.000 -7.077 0.815) 7.124 8.589 ( 0.000 2.251 -4.672) 5.186 9.110 ( 0.000 0.803 2.153) 2.298 9.308 ( 0.000 -11.720 -5.187) 12.816 9.593 ( 0.000 8.895 3.837) 9.687 9.665 ( 0.000 4.014 3.853) 5.564 9.769 ( 0.000 2.277 0.871) 2.438 9.769 ( 0.000 6.801 0.159) 6.803 9.932 ( 0.000 -4.527 -0.419) 4.546 9.989 ( 0.000 -1.702 -3.226) 3.648 10.764 ( 0.000 3.200 3.562) 4.788 10.783 ( 0.000 6.341 -1.493) 6.514 10.839 ( 0.000 22.811 -6.553) 23.734 10.845 ( 0.000 1.210 2.758) 3.012 10.983 ( 0.000 11.631 -1.155) 11.688 11.066 ( 0.000 6.887 2.556) 7.346 11.081 ( 0.000 5.074 -1.818) 5.389 11.208 ( 0.000 -1.849 0.181) 1.858 11.331 ( 0.000 3.521 2.208) 4.156 11.369 ( 0.000 9.390 -4.742) 10.520 11.528 ( 0.000 1.854 -0.218) 1.867 11.557 ( 0.000 3.832 1.090) 3.984 11.865 ( 0.000 7.205 -4.604) 8.551 11.882 ( 0.000 1.862 -9.493) 9.674 12.402 ( 0.000 10.780 8.216) 13.554 12.457 ( 0.000 7.192 7.288) 10.239 12.613 ( 0.000 1.725 3.372) 3.788 12.734 ( 0.000 2.664 3.771) 4.617 12.850 ( 0.000 -2.622 7.767) 8.198 12.866 ( 0.000 6.604 2.891) 7.209 12.978 ( 0.000 2.027 9.875) 10.081 12.980 ( 0.000 -12.404 -3.753) 12.959 13.202 ( 0.000 8.248 -4.463) 9.378 13.229 ( 0.000 2.462 3.176) 4.018 13.779 ( 0.000 5.541 2.788) 6.203 13.813 ( 0.000 5.358 3.358) 6.324 13.818 ( 0.000 4.759 2.210) 5.247 13.909 ( 0.000 3.566 -2.348) 4.269 13.933 ( 0.000 15.315 -7.807) 17.190 14.057 ( 0.000 5.713 -1.720) 5.966 14.069 ( 0.000 3.497 -2.929) 4.561 14.170 ( 0.000 6.513 2.731) 7.063 14.406 ( 0.000 -12.179 -7.309) 14.204 14.529 ( 0.000 -11.654 0.603) 11.670 14.703 ( 0.000 -1.755 -3.527) 3.939 14.797 ( 0.000 -4.726 -6.366) 7.928 17.127 ( 0.000 3.705 1.157) 3.881 17.342 ( 0.000 -3.678 -1.884) 4.133 17.430 ( 0.000 -7.900 -5.393) 9.565 17.482 ( 0.000 -7.965 -3.446) 8.679 17.622 ( 0.000 -5.001 1.272) 5.160 17.702 ( 0.000 -8.720 -3.232) 9.300 18.008 ( 0.000 -12.563 8.339) 15.078 18.091 ( 0.000 -17.677 4.665) 18.283 ======================= Grid point 121 (50/81) ======================= q-point: ( 0.20 0.44 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.353 ( -0.113 6.019 0.862) 6.081 4.378 ( 2.097 7.891 0.366) 8.173 4.504 ( -2.126 -1.763 0.234) 2.772 4.565 ( -2.972 -1.669 0.402) 3.432 4.703 ( 0.684 4.327 -2.476) 5.032 4.778 ( -0.829 7.942 -0.537) 8.003 4.839 ( 5.094 -3.095 -2.403) 6.427 5.053 ( -1.495 -5.300 -6.911) 8.837 5.947 ( -6.095 11.831 5.211) 14.292 6.088 ( -0.690 8.713 4.262) 9.725 6.128 ( -2.794 8.445 -3.429) 9.533 6.329 ( -8.176 1.028 -0.003) 8.241 6.382 ( 1.782 0.716 -0.283) 1.941 6.442 ( 2.685 -3.241 0.028) 4.209 6.487 ( 0.418 5.966 4.323) 7.380 6.554 ( 1.099 5.704 4.208) 7.173 6.777 ( 1.000 4.117 1.448) 4.477 6.897 ( 5.901 0.768 0.505) 5.972 6.986 ( -0.417 -1.673 5.413) 5.681 7.308 ( 3.388 9.970 -5.695) 11.971 7.404 ( -0.848 3.710 1.331) 4.032 7.505 ( -5.227 4.566 0.871) 6.995 7.653 ( 6.049 0.504 -6.304) 8.751 7.884 ( 3.788 -5.755 -7.416) 10.123 8.057 ( 6.512 0.633 4.909) 8.180 8.177 ( 0.574 -2.478 -1.702) 3.060 8.233 ( -2.465 -0.101 1.558) 2.918 8.323 ( -0.694 2.422 -2.618) 3.633 8.457 ( -0.463 -6.989 2.182) 7.336 8.485 ( 3.801 -6.849 0.393) 7.843 8.503 ( 0.511 -4.932 -1.066) 5.072 8.572 ( -0.539 0.667 -5.301) 5.370 9.130 ( 2.170 2.152 2.892) 4.208 9.365 ( 4.430 -10.588 -4.220) 12.228 9.500 ( -6.028 6.321 5.299) 10.216 9.664 ( -3.477 -1.616 4.456) 5.879 9.831 ( 6.852 6.468 -0.307) 9.428 9.837 ( 7.471 6.556 -0.474) 9.951 10.034 ( 6.363 -0.746 -1.522) 6.585 10.064 ( 7.268 -2.094 -0.963) 7.624 10.727 ( -2.942 4.207 2.008) 5.513 10.767 ( -1.845 7.617 -1.513) 7.982 10.824 ( -1.723 10.869 -1.589) 11.118 10.863 ( 1.044 5.780 2.012) 6.208 10.949 ( -4.803 11.616 -0.402) 12.576 11.046 ( 0.474 10.067 0.100) 10.079 11.082 ( -1.535 3.551 1.185) 4.046 11.192 ( -6.151 8.615 -1.757) 10.731 11.259 ( 1.784 -3.975 -1.380) 4.570 11.320 ( -5.587 5.151 -3.662) 8.435 11.431 ( -6.899 0.170 -2.084) 7.209 11.468 ( -5.589 1.924 -1.939) 6.221 11.892 ( 0.197 5.989 -4.348) 7.404 11.976 ( 7.779 7.014 -2.528) 10.775 12.355 ( -5.667 7.979 9.474) 13.621 12.447 ( -1.574 5.419 7.162) 9.118 12.635 ( 2.164 4.204 2.722) 5.456 12.747 ( 0.795 3.754 3.409) 5.133 12.804 ( -3.629 0.379 4.556) 5.837 12.853 ( -0.659 5.836 2.370) 6.334 12.931 ( 3.012 -4.651 -0.983) 5.628 13.009 ( -2.363 -2.397 4.468) 5.594 13.106 ( -3.601 7.644 1.126) 8.524 13.306 ( 1.398 -1.053 2.425) 2.991 13.684 ( -5.321 10.634 0.207) 11.892 13.779 ( -2.439 12.239 3.226) 12.890 13.883 ( 4.314 5.128 -0.260) 6.707 13.940 ( 1.891 7.258 -2.093) 7.787 14.003 ( -3.351 3.934 -5.823) 7.785 14.057 ( 4.926 5.206 2.178) 7.491 14.119 ( 6.915 0.616 -2.723) 7.457 14.167 ( 0.179 4.871 2.135) 5.321 14.441 ( 3.177 -11.120 -7.709) 13.899 14.498 ( -2.657 -10.773 0.168) 11.098 14.669 ( -3.185 -1.952 -3.704) 5.260 14.759 ( -3.364 -5.038 -6.648) 8.994 17.140 ( 1.185 3.048 0.750) 3.356 17.297 ( -3.279 -1.304 -1.849) 3.984 17.432 ( 0.732 -9.053 -4.590) 10.177 17.499 ( 0.341 -10.172 -4.268) 11.036 17.682 ( 4.456 -5.567 0.484) 7.148 17.745 ( 4.357 -7.997 -0.843) 9.146 17.978 ( -2.658 -11.800 8.019) 14.512 18.072 ( -1.963 -16.566 4.059) 17.168 ======================= Grid point 122 (51/81) ======================= q-point: ( 0.40 0.44 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.377 ( 2.552 4.196 0.336) 4.923 4.430 ( 2.563 3.888 0.312) 4.667 4.445 ( -3.203 1.249 -0.511) 3.476 4.493 ( -3.391 -0.252 1.173) 3.597 4.726 ( 1.291 6.050 -2.336) 6.613 4.756 ( -1.263 6.218 -1.730) 6.577 4.945 ( 4.305 -4.334 -4.402) 7.529 5.013 ( -2.273 -5.532 -6.852) 9.095 5.883 ( 1.396 10.401 5.624) 11.906 6.003 ( -8.231 7.114 3.960) 11.578 6.099 ( 1.562 8.946 -1.850) 9.268 6.169 ( -5.103 5.329 -1.080) 7.457 6.415 ( 2.286 -3.002 4.485) 5.861 6.457 ( -0.908 -4.044 5.022) 6.512 6.490 ( 1.751 2.939 2.964) 4.527 6.561 ( -3.373 1.712 3.885) 5.422 6.851 ( 6.025 6.115 5.106) 9.988 6.947 ( -1.777 6.750 2.866) 7.546 7.122 ( 10.518 -0.390 -1.094) 10.582 7.311 ( -3.760 3.434 -3.802) 6.355 7.383 ( -1.651 7.356 1.148) 7.626 7.427 ( -1.740 15.261 -0.330) 15.363 7.789 ( 5.923 -2.463 -9.059) 11.100 7.881 ( -2.459 -3.692 -10.006) 10.945 8.174 ( 2.142 -0.199 2.550) 3.336 8.194 ( 0.749 2.766 -0.720) 2.955 8.239 ( 2.249 1.445 0.254) 2.685 8.286 ( -2.818 0.992 -1.666) 3.421 8.430 ( 1.337 -3.853 -1.342) 4.293 8.489 ( -2.539 -4.834 -2.380) 5.956 8.558 ( 3.116 -6.876 -2.463) 7.940 8.596 ( 0.471 -8.689 -1.600) 8.848 9.214 ( 5.727 4.158 4.890) 8.602 9.356 ( -7.041 4.975 5.739) 10.357 9.467 ( 4.820 -8.198 -0.250) 9.513 9.571 ( -4.819 -5.810 3.015) 8.128 10.016 ( 9.715 5.921 -0.242) 11.380 10.047 ( 10.588 5.735 -1.877) 12.187 10.149 ( 0.614 3.189 0.060) 3.248 10.178 ( 0.705 1.183 0.082) 1.379 10.650 ( -2.896 8.489 0.910) 9.016 10.684 ( -4.464 10.938 1.429) 11.900 10.810 ( 2.974 1.875 3.567) 5.008 10.869 ( -0.019 4.303 -0.837) 4.384 10.919 ( 0.227 7.316 -1.173) 7.413 10.931 ( -5.883 5.035 -1.166) 7.830 11.002 ( -3.904 1.384 -0.785) 4.216 11.110 ( -10.134 5.019 -2.124) 11.507 11.208 ( 3.159 4.020 -1.583) 5.352 11.266 ( -2.628 1.915 -2.111) 3.877 11.382 ( 1.924 -1.876 -4.947) 5.630 11.406 ( -0.555 -0.449 -5.677) 5.722 11.916 ( 3.824 13.343 2.329) 14.074 12.057 ( -5.279 13.375 0.851) 14.404 12.249 ( 2.414 1.596 6.963) 7.540 12.370 ( -5.663 2.244 4.970) 7.862 12.683 ( 2.332 5.516 3.133) 6.758 12.732 ( -1.944 8.175 2.818) 8.863 12.806 ( 2.376 1.752 2.655) 3.971 12.855 ( -0.782 1.583 3.437) 3.864 12.960 ( 0.990 4.252 -0.944) 4.466 13.026 ( -1.309 2.783 -0.112) 3.077 13.063 ( 5.099 -1.685 5.062) 7.380 13.232 ( -7.622 -4.029 2.713) 9.038 13.642 ( 1.519 15.412 0.986) 15.518 13.707 ( -3.763 14.685 1.802) 15.266 13.915 ( -0.019 6.840 -1.827) 7.080 13.937 ( -2.203 5.142 -4.566) 7.221 14.017 ( 4.326 6.316 0.181) 7.658 14.088 ( -2.012 6.989 4.334) 8.467 14.219 ( 5.693 -5.253 0.788) 7.786 14.292 ( 3.192 -5.383 -0.900) 6.322 14.443 ( 1.132 -5.163 -1.629) 5.531 14.540 ( 4.320 -8.335 -7.853) 12.239 14.567 ( -5.285 -2.655 -4.397) 7.370 14.663 ( -5.357 -6.251 -7.413) 11.078 17.176 ( 2.145 1.751 -0.074) 2.770 17.230 ( -2.869 0.425 -1.013) 3.072 17.456 ( 1.424 -9.798 -4.775) 10.992 17.487 ( -1.252 -10.706 -5.047) 11.902 17.784 ( 5.037 -6.854 2.848) 8.970 17.857 ( 2.759 -9.119 0.240) 9.531 17.914 ( -0.811 -10.600 6.998) 12.728 18.003 ( -4.523 -13.862 3.045) 14.896 ======================= Grid point 125 (52/81) ======================= q-point: ( 0.00 -0.50 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.459 ( 0.000 -3.640 1.768) 4.046 4.459 ( 0.000 3.640 1.768) 4.046 4.521 ( 0.000 -6.350 0.657) 6.383 4.521 ( 0.000 6.350 0.657) 6.383 4.736 ( 0.000 -0.248 -3.232) 3.242 4.736 ( 0.000 0.248 -3.232) 3.242 4.949 ( 0.000 -6.871 -3.389) 7.661 4.949 ( 0.000 6.871 -3.389) 7.661 6.206 ( 0.000 -5.945 1.386) 6.104 6.206 ( 0.000 5.945 1.386) 6.104 6.229 ( 0.000 -8.300 5.163) 9.775 6.229 ( 0.000 8.300 5.163) 9.775 6.421 ( 0.000 -1.091 -5.061) 5.177 6.421 ( 0.000 1.091 -5.061) 5.177 6.653 ( 0.000 -9.017 4.086) 9.899 6.653 ( 0.000 9.017 4.086) 9.899 6.800 ( 0.000 -6.823 2.555) 7.286 6.800 ( 0.000 6.823 2.555) 7.286 7.059 ( 0.000 -8.856 -3.956) 9.699 7.059 ( 0.000 8.856 -3.956) 9.699 7.562 ( 0.000 -4.933 2.499) 5.530 7.562 ( 0.000 4.934 2.499) 5.530 7.775 ( 0.000 -1.995 -5.379) 5.737 7.775 ( 0.000 1.995 -5.379) 5.737 7.972 ( 0.000 -2.645 2.638) 3.736 7.972 ( 0.000 2.645 2.638) 3.736 8.250 ( 0.000 -3.022 1.302) 3.290 8.250 ( 0.000 3.022 1.302) 3.290 8.422 ( 0.000 -3.856 -1.381) 4.096 8.422 ( 0.000 3.856 -1.381) 4.096 8.548 ( 0.000 -4.879 -3.352) 5.920 8.548 ( 0.000 4.879 -3.352) 5.920 9.147 ( 0.000 -3.584 0.533) 3.623 9.147 ( 0.000 3.584 0.533) 3.623 9.721 ( 0.000 -2.575 1.565) 3.013 9.721 ( 0.000 2.575 1.565) 3.013 9.825 ( 0.000 -5.171 0.660) 5.213 9.825 ( 0.000 5.171 0.660) 5.213 9.900 ( 0.000 -5.883 -1.093) 5.983 9.900 ( 0.000 5.883 -1.093) 5.983 10.801 ( 0.000 -1.733 3.610) 4.004 10.801 ( 0.000 1.733 3.610) 4.004 10.906 ( 0.000 -5.953 -3.092) 6.708 10.906 ( 0.000 5.953 -3.092) 6.708 11.124 ( 0.000 -1.831 2.827) 3.368 11.124 ( 0.000 1.831 2.827) 3.368 11.228 ( 0.000 -3.876 -3.283) 5.079 11.228 ( 0.000 3.876 -3.283) 5.079 11.457 ( 0.000 -2.571 -2.433) 3.540 11.457 ( 0.000 2.571 -2.433) 3.540 11.538 ( 0.000 -2.633 2.670) 3.750 11.538 ( 0.000 2.633 2.670) 3.750 11.922 ( 0.000 -0.883 -7.516) 7.568 11.922 ( 0.000 0.883 -7.516) 7.568 12.537 ( 0.000 -1.614 7.821) 7.986 12.537 ( 0.000 1.614 7.821) 7.986 12.694 ( 0.000 -8.170 2.385) 8.511 12.694 ( 0.000 8.170 2.385) 8.511 12.796 ( 0.000 -0.676 3.096) 3.169 12.796 ( 0.000 0.676 3.096) 3.169 12.969 ( 0.000 -2.920 6.511) 7.135 12.969 ( 0.000 2.920 6.511) 7.135 13.270 ( 0.000 -0.703 -0.826) 1.085 13.270 ( 0.000 0.703 -0.826) 1.085 13.856 ( 0.000 -2.018 2.856) 3.497 13.856 ( 0.000 2.018 2.856) 3.497 13.926 ( 0.000 -2.817 0.062) 2.817 13.926 ( 0.000 2.817 0.062) 2.817 14.117 ( 0.000 -2.069 -3.395) 3.976 14.117 ( 0.000 2.069 -3.395) 3.976 14.187 ( 0.000 -9.027 -9.816) 13.336 14.187 ( 0.000 9.027 -9.816) 13.336 14.321 ( 0.000 -9.126 4.297) 10.087 14.321 ( 0.000 9.126 4.297) 10.087 14.718 ( 0.000 -2.870 -5.058) 5.815 14.718 ( 0.000 2.870 -5.058) 5.815 17.251 ( 0.000 -6.470 -2.237) 6.846 17.251 ( 0.000 6.471 -2.237) 6.846 17.375 ( 0.000 -2.040 -2.347) 3.110 17.375 ( 0.000 2.040 -2.347) 3.110 17.592 ( 0.000 -2.082 -2.060) 2.929 17.592 ( 0.000 2.082 -2.060) 2.929 17.874 ( 0.000 -1.669 7.421) 7.606 17.874 ( 0.000 1.669 7.421) 7.606 ======================= Grid point 127 (53/81) ======================= q-point: ( 0.20 -0.50 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( -0.854 -3.697 1.708) 4.161 4.446 ( -0.854 3.697 1.708) 4.161 4.505 ( -1.286 -4.479 0.208) 4.665 4.505 ( -1.286 4.479 0.208) 4.665 4.775 ( 3.120 -3.270 -2.959) 5.402 4.775 ( 3.120 3.270 -2.959) 5.402 4.930 ( -1.562 -6.921 -4.157) 8.224 4.930 ( -1.562 6.921 -4.157) 8.224 6.164 ( -4.578 -8.081 3.012) 9.764 6.164 ( -4.578 8.081 3.012) 9.764 6.232 ( -1.132 -4.802 2.151) 5.382 6.232 ( -1.132 4.802 2.151) 5.382 6.348 ( -1.538 -9.365 -2.445) 9.800 6.348 ( -1.538 9.365 -2.445) 9.800 6.636 ( -4.993 -8.459 7.982) 12.657 6.636 ( -4.992 8.459 7.982) 12.657 6.830 ( 6.370 -6.497 2.054) 9.328 6.830 ( 6.370 6.497 2.054) 9.328 7.166 ( 6.128 -13.974 -4.015) 15.778 7.166 ( 6.128 13.974 -4.015) 15.778 7.569 ( 1.802 -9.987 -2.030) 10.349 7.569 ( 1.802 9.987 -2.030) 10.349 7.763 ( -1.524 -9.896 -6.011) 11.678 7.763 ( -1.524 9.896 -6.011) 11.678 8.064 ( 6.887 -4.702 3.260) 8.954 8.064 ( 6.887 4.702 3.260) 8.954 8.241 ( -0.758 -5.058 0.539) 5.142 8.241 ( -0.758 5.058 0.539) 5.142 8.419 ( -0.223 -4.047 -1.470) 4.311 8.419 ( -0.223 4.047 -1.470) 4.311 8.536 ( -0.921 -3.877 -2.599) 4.758 8.536 ( -0.921 3.877 -2.599) 4.758 9.197 ( 4.410 -5.143 0.778) 6.819 9.197 ( 4.410 5.143 0.778) 6.819 9.614 ( -6.574 -4.402 3.393) 8.608 9.614 ( -6.574 4.402 3.393) 8.608 9.940 ( 6.398 -0.784 -2.158) 6.798 9.940 ( 6.398 0.784 -2.158) 6.798 9.995 ( 9.273 -1.354 0.863) 9.411 9.995 ( 9.273 1.354 0.863) 9.411 10.786 ( -1.409 -2.470 3.540) 4.540 10.786 ( -1.409 2.470 3.540) 4.540 10.905 ( 0.082 -5.182 -3.108) 6.043 10.905 ( 0.082 5.182 -3.108) 6.043 11.059 ( -6.217 -4.926 3.965) 8.868 11.059 ( -6.217 4.926 3.965) 8.868 11.244 ( -0.323 -4.348 -2.149) 4.861 11.244 ( -0.323 4.348 -2.149) 4.861 11.369 ( -8.710 -5.239 -2.585) 10.487 11.369 ( -8.710 5.239 -2.585) 10.487 11.424 ( -4.641 -5.459 -3.477) 7.964 11.424 ( -4.641 5.459 -3.477) 7.964 12.007 ( 6.052 -3.657 -2.126) 7.384 12.007 ( 6.052 3.658 -2.126) 7.384 12.477 ( -5.527 -3.705 6.404) 9.235 12.477 ( -5.527 3.705 6.404) 9.235 12.719 ( 2.323 -5.169 2.651) 6.256 12.719 ( 2.323 5.169 2.651) 6.256 12.826 ( 2.300 -3.266 4.632) 6.117 12.826 ( 2.300 3.266 4.632) 6.117 12.957 ( -0.408 -3.526 3.060) 4.686 12.957 ( -0.408 3.526 3.060) 4.686 13.237 ( -3.212 -5.308 1.299) 6.338 13.237 ( -3.212 5.308 1.299) 6.338 13.867 ( 0.546 -5.658 -0.743) 5.733 13.867 ( 0.546 5.658 -0.743) 5.733 13.953 ( 1.723 -3.418 1.919) 4.282 13.953 ( 1.723 3.418 1.919) 4.282 14.087 ( -1.521 -3.625 -3.129) 5.025 14.087 ( -1.521 3.625 -3.129) 5.025 14.240 ( 3.680 -8.111 -6.124) 10.809 14.240 ( 3.680 8.111 -6.124) 10.809 14.309 ( -0.073 -7.949 1.640) 8.117 14.309 ( -0.073 7.949 1.640) 8.117 14.680 ( -3.493 -2.637 -5.255) 6.839 14.680 ( -3.493 2.637 -5.255) 6.839 17.259 ( 0.710 -6.789 -2.293) 7.201 17.259 ( 0.710 6.789 -2.293) 7.201 17.349 ( -1.887 -4.012 -2.573) 5.126 17.349 ( -1.887 4.012 -2.573) 5.126 17.645 ( 4.156 -1.810 -0.783) 4.600 17.645 ( 4.156 1.810 -0.783) 4.600 17.861 ( -1.240 -2.327 6.582) 7.091 17.861 ( -1.240 2.327 6.582) 7.091 ======================= Grid point 129 (54/81) ======================= q-point: ( 0.40 -0.50 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.442 ( 0.699 -2.021 1.334) 2.520 4.442 ( 0.699 2.021 1.334) 2.520 4.472 ( -1.762 -1.095 0.617) 2.165 4.472 ( -1.762 1.095 0.617) 2.165 4.842 ( 2.808 -5.392 -4.179) 7.378 4.842 ( 2.808 5.392 -4.179) 7.378 4.891 ( -1.971 -6.393 -5.124) 8.426 4.891 ( -1.971 6.393 -5.124) 8.426 6.086 ( -0.514 -8.618 3.306) 9.245 6.086 ( -0.514 8.618 3.306) 9.245 6.150 ( -5.181 -5.986 1.807) 8.121 6.150 ( -5.181 5.986 1.807) 8.121 6.403 ( 4.571 -6.675 3.607) 8.858 6.403 ( 4.571 6.675 3.607) 8.858 6.508 ( -5.441 -6.471 7.682) 11.423 6.508 ( -5.441 6.471 7.682) 11.423 7.025 ( 9.788 -8.620 0.136) 13.043 7.025 ( 9.788 8.620 0.136) 13.043 7.189 ( -4.344 -11.441 -2.241) 12.442 7.189 ( -4.344 11.441 -2.241) 12.442 7.649 ( 4.771 -13.158 -4.243) 14.625 7.649 ( 4.771 13.158 -4.243) 14.625 7.728 ( -2.159 -12.447 -5.945) 13.962 7.728 ( -2.159 12.447 -5.945) 13.962 8.169 ( 2.840 -2.264 -1.275) 3.849 8.169 ( 2.840 2.264 -1.275) 3.849 8.221 ( -1.667 -7.089 -2.080) 7.574 8.221 ( -1.667 7.089 -2.080) 7.574 8.442 ( 2.937 -4.882 0.172) 5.700 8.442 ( 2.937 4.882 0.172) 5.700 8.506 ( -2.221 -3.798 -0.331) 4.412 8.506 ( -2.221 3.798 -0.331) 4.412 9.317 ( 6.503 -6.140 2.264) 9.226 9.317 ( 6.503 6.140 2.264) 9.226 9.465 ( -7.195 -5.342 3.867) 9.760 9.465 ( -7.195 5.342 3.867) 9.760 10.109 ( 8.398 -1.950 -1.943) 8.837 10.109 ( 8.398 1.950 -1.943) 8.837 10.177 ( 4.455 -1.020 0.741) 4.630 10.177 ( 4.455 1.020 0.741) 4.630 10.758 ( 0.287 -4.016 3.142) 5.107 10.758 ( 0.287 4.016 3.142) 5.107 10.864 ( -7.988 -5.026 3.886) 10.207 10.864 ( -7.988 5.026 3.886) 10.207 10.944 ( 2.016 -1.926 -1.900) 3.374 10.944 ( 2.016 1.926 -1.900) 3.374 11.077 ( -9.995 -5.189 -1.457) 11.356 11.077 ( -9.995 5.189 -1.457) 11.356 11.329 ( 1.558 -4.887 -4.414) 6.767 11.329 ( 1.558 4.887 -4.414) 6.767 11.361 ( -1.696 -4.242 -5.354) 7.038 11.361 ( -1.696 4.242 -5.354) 7.038 12.152 ( 7.563 -7.494 2.307) 10.894 12.152 ( 7.563 7.494 2.307) 10.894 12.324 ( -8.179 -6.916 4.272) 11.532 12.324 ( -8.179 6.916 4.272) 11.532 12.781 ( 3.189 -3.674 3.579) 6.039 12.781 ( 3.189 3.674 3.579) 6.039 12.839 ( -1.696 -2.956 5.344) 6.338 12.839 ( -1.696 2.956 5.344) 6.338 13.004 ( 5.111 -1.198 0.466) 5.270 13.004 ( 5.111 1.198 0.466) 5.270 13.134 ( -6.145 -5.412 2.253) 8.492 13.134 ( -6.145 5.412 2.253) 8.492 13.884 ( 1.505 -6.628 -2.930) 7.402 13.884 ( 1.505 6.628 -2.930) 7.402 13.934 ( -2.784 -4.610 -0.959) 5.470 13.934 ( -2.784 4.610 -0.959) 5.470 14.125 ( 4.334 -4.373 0.990) 6.236 14.125 ( 4.334 4.373 0.990) 6.236 14.218 ( -3.803 -4.369 3.129) 6.583 14.218 ( -3.803 4.369 3.129) 6.583 14.417 ( 7.640 -3.097 -6.499) 10.497 14.417 ( 7.640 3.097 -6.499) 10.497 14.573 ( -6.451 -2.615 -5.771) 9.042 14.573 ( -6.451 2.615 -5.771) 9.042 17.280 ( 1.215 -6.864 -2.417) 7.378 17.280 ( 1.215 6.864 -2.417) 7.378 17.310 ( -1.640 -5.956 -2.568) 6.690 17.310 ( -1.640 5.956 -2.568) 6.690 17.740 ( 4.337 -2.441 1.731) 5.269 17.740 ( 4.337 2.441 1.731) 5.269 17.818 ( -2.857 -2.849 4.433) 5.994 17.818 ( -2.857 2.849 4.433) 5.994 ======================= Grid point 170 (55/81) ======================= q-point: ( 0.00 0.00 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.000 0.000 42.636) 42.636 1.676 ( 0.000 0.000 43.076) 43.076 2.338 ( 0.000 0.000 -37.188) 37.188 2.402 ( 0.000 0.000 -36.638) 36.638 2.989 ( 0.000 0.000 74.214) 74.214 3.697 ( 0.000 0.000 8.520) 8.520 3.777 ( 0.000 0.000 19.187) 19.187 3.860 ( 0.000 0.000 -8.612) 8.612 4.232 ( 0.000 0.000 4.545) 4.545 4.252 ( 0.000 0.000 -26.423) 26.423 4.265 ( 0.000 0.000 1.401) 1.401 4.277 ( 0.000 0.000 -0.905) 0.905 4.511 ( 0.000 0.000 3.012) 3.012 4.577 ( 0.000 0.000 -4.464) 4.464 4.668 ( 0.000 0.000 9.431) 9.431 4.748 ( 0.000 0.000 -12.182) 12.182 4.753 ( 0.000 0.000 -11.075) 11.075 4.841 ( 0.000 0.000 -9.027) 9.027 4.927 ( 0.000 0.000 -12.120) 12.120 4.983 ( 0.000 0.000 -18.517) 18.517 5.550 ( 0.000 0.000 5.938) 5.938 5.614 ( 0.000 0.000 8.264) 8.264 5.645 ( 0.000 0.000 -4.390) 4.390 5.835 ( 0.000 0.000 -14.456) 14.456 6.127 ( 0.000 0.000 5.930) 5.930 6.288 ( 0.000 0.000 -10.536) 10.536 6.849 ( 0.000 0.000 26.314) 26.314 7.401 ( 0.000 0.000 -31.935) 31.935 7.799 ( 0.000 0.000 11.960) 11.960 7.936 ( 0.000 0.000 -4.815) 4.815 8.261 ( 0.000 0.000 16.673) 16.673 8.316 ( 0.000 0.000 13.963) 13.963 8.419 ( 0.000 0.000 -4.372) 4.372 8.616 ( 0.000 0.000 -15.744) 15.744 8.819 ( 0.000 0.000 15.333) 15.333 9.004 ( 0.000 0.000 3.620) 3.620 9.013 ( 0.000 0.000 3.102) 3.102 9.105 ( 0.000 0.000 -4.013) 4.013 9.113 ( 0.000 0.000 -4.522) 4.522 9.165 ( 0.000 0.000 -16.252) 16.252 9.367 ( 0.000 0.000 8.033) 8.033 9.422 ( 0.000 0.000 4.050) 4.050 9.620 ( 0.000 0.000 3.424) 3.424 9.669 ( 0.000 0.000 -1.900) 1.900 10.295 ( 0.000 0.000 11.845) 11.845 10.551 ( 0.000 0.000 -13.137) 13.137 10.612 ( 0.000 0.000 0.527) 0.527 10.621 ( 0.000 0.000 -0.325) 0.325 10.639 ( 0.000 0.000 1.553) 1.553 10.667 ( 0.000 0.000 -1.286) 1.286 10.788 ( 0.000 0.000 11.084) 11.084 10.948 ( 0.000 0.000 -6.479) 6.479 11.064 ( 0.000 0.000 2.553) 2.553 11.134 ( 0.000 0.000 -3.875) 3.875 11.420 ( 0.000 0.000 11.460) 11.460 11.501 ( 0.000 0.000 1.029) 1.029 11.522 ( 0.000 0.000 -1.150) 1.150 11.727 ( 0.000 0.000 -22.334) 22.334 11.858 ( 0.000 0.000 18.085) 18.085 12.233 ( 0.000 0.000 -20.142) 20.142 12.901 ( 0.000 0.000 12.202) 12.202 13.048 ( 0.000 0.000 -3.858) 3.858 13.233 ( 0.000 0.000 0.032) 0.032 13.234 ( 0.000 0.000 -0.055) 0.055 13.273 ( 0.000 0.000 0.091) 0.091 13.275 ( 0.000 0.000 -0.093) 0.093 13.412 ( 0.000 0.000 8.519) 8.519 13.547 ( 0.000 0.000 -6.598) 6.598 13.920 ( 0.000 0.000 2.468) 2.468 13.973 ( 0.000 0.000 -1.964) 1.964 14.556 ( 0.000 0.000 2.633) 2.633 14.596 ( 0.000 0.000 -2.112) 2.112 15.911 ( 0.000 0.000 1.834) 1.834 16.012 ( 0.000 0.000 -9.617) 9.617 16.857 ( 0.000 0.000 12.624) 12.624 16.989 ( 0.000 0.000 -1.120) 1.120 17.810 ( 0.000 0.000 1.166) 1.166 17.876 ( 0.000 0.000 -6.683) 6.683 18.754 ( 0.000 0.000 2.757) 2.757 18.804 ( 0.000 0.000 -3.301) 3.301 19.407 ( 0.000 0.000 9.649) 9.649 19.587 ( 0.000 0.000 -9.243) 9.243 20.643 ( 0.000 0.000 11.234) 11.234 20.842 ( 0.000 0.000 -10.144) 10.144 ======================= Grid point 171 (56/81) ======================= q-point: ( 0.20 0.00 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 18.738 0.000 36.962) 41.440 1.892 ( 24.459 0.000 32.304) 40.519 2.470 ( 13.008 0.000 -30.514) 33.170 2.536 ( 12.058 0.000 -33.302) 35.417 3.304 ( 27.390 0.000 67.159) 72.529 3.478 ( -18.882 0.000 11.221) 21.964 3.692 ( -14.418 0.000 -11.434) 18.402 3.773 ( -9.731 0.000 28.479) 30.095 4.149 ( -15.909 0.000 -0.749) 15.927 4.196 ( -0.929 0.000 5.608) 5.685 4.272 ( -1.029 0.000 -3.102) 3.268 4.313 ( -2.080 0.000 -13.175) 13.338 4.513 ( 0.291 0.000 2.438) 2.456 4.561 ( -0.835 0.000 -2.449) 2.588 4.589 ( -7.121 0.000 -17.935) 19.297 4.625 ( 12.384 0.000 -32.565) 34.840 4.810 ( 9.778 0.000 6.669) 11.836 4.932 ( 6.521 0.000 -6.063) 8.904 5.007 ( 2.308 0.000 -7.255) 7.613 5.100 ( 11.854 0.000 -11.866) 16.773 5.537 ( -1.072 0.000 4.970) 5.085 5.620 ( -2.226 0.000 -4.020) 4.595 5.811 ( 13.663 0.000 5.987) 14.917 6.003 ( 6.869 0.000 -8.792) 11.157 6.259 ( 6.990 0.000 -1.491) 7.147 6.310 ( 5.161 0.000 -5.540) 7.571 6.859 ( 0.525 0.000 18.384) 18.392 7.294 ( -11.540 0.000 -22.581) 25.358 7.503 ( -20.406 0.000 9.387) 22.461 7.745 ( -19.411 0.000 -12.851) 23.279 8.140 ( -7.579 0.000 5.915) 9.614 8.251 ( -15.657 0.000 11.027) 19.150 8.262 ( -2.652 0.000 -1.983) 3.311 8.468 ( -4.685 0.000 -8.407) 9.624 8.847 ( -3.394 0.000 2.165) 4.025 8.877 ( -12.324 0.000 -0.312) 12.328 8.995 ( -0.733 0.000 3.801) 3.871 9.008 ( -0.650 0.000 3.839) 3.894 9.076 ( -1.660 0.000 -4.282) 4.592 9.095 ( -1.461 0.000 -4.894) 5.108 9.465 ( 8.320 0.000 22.506) 23.995 9.706 ( 7.312 0.000 3.149) 7.961 9.752 ( 7.075 0.000 -1.893) 7.324 9.761 ( 18.038 0.000 -3.234) 18.326 10.379 ( -15.716 0.000 6.528) 17.018 10.433 ( -9.802 0.000 1.572) 9.927 10.456 ( 3.534 0.000 -3.907) 5.269 10.460 ( -9.443 0.000 -1.284) 9.529 10.738 ( 4.853 0.000 14.088) 14.900 10.765 ( 5.043 0.000 0.734) 5.096 10.777 ( 4.617 0.000 -0.562) 4.651 10.978 ( 7.941 0.000 -10.596) 13.242 11.241 ( 9.683 0.000 -1.378) 9.780 11.285 ( 11.015 0.000 -4.654) 11.958 11.504 ( 0.236 0.000 0.819) 0.853 11.520 ( -0.119 0.000 -0.941) 0.949 11.540 ( 7.662 0.000 7.902) 11.007 11.754 ( -0.192 0.000 -15.780) 15.781 11.872 ( 3.978 0.000 10.734) 11.447 12.168 ( -1.088 0.000 -17.016) 17.051 12.944 ( 0.323 0.000 13.285) 13.289 13.119 ( -1.683 0.000 -5.479) 5.732 13.236 ( 0.313 0.000 0.055) 0.318 13.238 ( 0.344 0.000 -0.082) 0.354 13.269 ( -0.356 0.000 0.101) 0.370 13.271 ( -0.345 0.000 -0.101) 0.359 13.362 ( -0.673 0.000 8.855) 8.880 13.522 ( 1.741 0.000 -7.575) 7.773 13.829 ( -6.546 0.000 5.411) 8.493 13.954 ( -2.594 0.000 -6.009) 6.545 14.626 ( 5.645 0.000 3.134) 6.456 14.665 ( 5.480 0.000 -0.909) 5.555 15.952 ( 3.976 0.000 1.648) 4.304 16.034 ( 2.533 0.000 -7.642) 8.051 16.682 ( -13.854 0.000 9.419) 16.753 16.781 ( -15.736 0.000 -1.074) 15.772 17.977 ( 11.702 0.000 -0.089) 11.702 18.006 ( 9.818 0.000 -4.036) 10.616 18.728 ( -1.616 0.000 4.996) 5.251 18.819 ( -0.182 0.000 -4.922) 4.926 19.457 ( 5.673 0.000 9.871) 11.385 19.647 ( 5.677 0.000 -10.129) 11.611 20.483 ( -13.630 0.000 5.982) 14.885 20.547 ( -22.347 0.000 0.611) 22.355 ======================= Grid point 172 (57/81) ======================= q-point: ( 0.40 0.00 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 26.793 0.000 26.417) 37.626 2.515 ( 31.003 0.000 22.635) 38.387 2.852 ( 16.364 0.000 -13.016) 20.909 2.875 ( 16.506 0.000 -22.457) 27.870 2.983 ( -23.915 0.000 14.061) 27.743 3.311 ( -20.081 0.000 -18.158) 27.073 3.326 ( -20.972 0.000 19.420) 28.582 3.595 ( -28.931 0.000 -8.135) 30.053 4.000 ( 31.976 0.000 41.118) 52.088 4.205 ( 1.372 0.000 3.333) 3.605 4.241 ( -1.737 0.000 -0.663) 1.859 4.337 ( -0.500 0.000 -0.955) 1.078 4.525 ( 0.729 0.000 0.584) 0.934 4.543 ( -0.900 0.000 -1.259) 1.547 4.607 ( 6.228 0.000 0.819) 6.282 4.894 ( -13.532 0.000 17.563) 22.171 4.992 ( 6.144 0.000 3.933) 7.295 5.038 ( 2.056 0.000 -0.792) 2.203 5.104 ( 22.339 0.000 -39.001) 44.946 5.336 ( 4.346 0.000 -23.998) 24.388 5.522 ( 0.322 0.000 1.553) 1.586 5.561 ( -2.883 0.000 -2.418) 3.763 5.948 ( -1.184 0.000 3.706) 3.890 6.051 ( -3.464 0.000 -3.184) 4.705 6.273 ( 5.564 0.000 1.887) 5.875 6.450 ( -4.237 0.000 -12.524) 13.222 6.899 ( 4.297 0.000 0.502) 4.327 7.038 ( -8.283 0.000 -10.466) 13.347 7.289 ( 4.564 0.000 1.098) 4.695 7.423 ( -3.212 0.000 -11.597) 12.033 7.759 ( -19.609 0.000 5.501) 20.366 7.840 ( -21.272 0.000 -2.796) 21.455 8.370 ( 6.339 0.000 2.393) 6.776 8.434 ( 1.088 0.000 -4.773) 4.895 8.703 ( -3.996 0.000 0.578) 4.038 8.737 ( -5.727 0.000 -2.856) 6.400 8.980 ( -0.390 0.000 3.648) 3.668 8.986 ( -0.959 0.000 3.719) 3.841 9.059 ( -0.005 0.000 -4.173) 4.173 9.069 ( -0.862 0.000 -4.463) 4.546 9.696 ( 13.168 0.000 31.733) 34.357 9.889 ( 8.505 0.000 2.380) 8.832 9.922 ( 6.897 0.000 -1.119) 6.987 10.014 ( -16.504 0.000 26.082) 30.865 10.096 ( 13.270 0.000 -4.301) 13.950 10.230 ( -7.666 0.000 1.404) 7.794 10.256 ( -8.644 0.000 -1.356) 8.750 10.337 ( -9.559 0.000 -3.904) 10.326 10.839 ( 1.837 0.000 0.276) 1.857 10.843 ( 1.472 0.000 -0.135) 1.478 11.029 ( 15.530 0.000 0.176) 15.531 11.160 ( 7.951 0.000 -9.076) 12.066 11.298 ( -4.888 0.000 -2.221) 5.369 11.349 ( -7.644 0.000 -9.637) 12.301 11.510 ( 0.322 0.000 0.275) 0.423 11.516 ( -0.249 0.000 -0.396) 0.468 11.747 ( 11.351 0.000 9.203) 14.613 11.823 ( 5.972 0.000 4.664) 7.578 12.028 ( 8.594 0.000 -5.964) 10.461 12.181 ( -2.379 0.000 -15.243) 15.428 12.851 ( -4.187 0.000 6.447) 7.688 12.928 ( -10.513 0.000 -1.696) 10.649 13.246 ( 0.492 0.000 0.070) 0.497 13.247 ( 0.474 0.000 -0.112) 0.487 13.260 ( -0.478 0.000 0.109) 0.490 13.261 ( -0.515 0.000 -0.094) 0.524 13.457 ( 8.230 0.000 11.881) 14.453 13.644 ( -5.620 0.000 11.691) 12.972 13.698 ( 6.084 0.000 -14.118) 15.373 13.864 ( -6.077 0.000 -11.337) 12.863 14.743 ( 4.095 0.000 2.788) 4.954 14.764 ( 2.400 0.000 0.613) 2.477 16.094 ( 9.450 0.000 2.527) 9.783 16.149 ( 8.781 0.000 -3.728) 9.539 16.364 ( -14.239 0.000 5.482) 15.258 16.431 ( -15.609 0.000 -1.621) 15.693 18.184 ( 6.273 0.000 -1.509) 6.452 18.195 ( 5.607 0.000 -2.745) 6.243 18.708 ( 0.488 0.000 5.396) 5.418 18.767 ( -4.054 0.000 -0.607) 4.099 19.676 ( 14.660 0.000 7.870) 16.639 19.835 ( 11.801 0.000 -8.742) 14.686 20.064 ( -20.675 0.000 7.196) 21.891 20.149 ( -16.380 0.000 -2.623) 16.589 ======================= Grid point 175 (58/81) ======================= q-point: ( 0.00 0.06 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 18.210 36.890) 41.139 2.052 ( 0.000 28.997 37.761) 47.610 2.456 ( 0.000 12.338 -35.005) 37.116 2.714 ( 0.000 25.826 -34.305) 42.940 3.366 ( 0.000 37.801 61.389) 72.094 3.806 ( 0.000 7.213 20.548) 21.777 4.043 ( 0.000 28.485 7.990) 29.584 4.093 ( 0.000 14.039 -7.230) 15.792 4.281 ( 0.000 7.720 -8.228) 11.283 4.313 ( 0.000 12.842 0.514) 12.852 4.396 ( 0.000 7.856 -3.184) 8.476 4.451 ( 0.000 18.938 -6.524) 20.031 4.746 ( 0.000 11.016 -0.893) 11.052 4.766 ( 0.000 10.682 -5.142) 11.856 4.794 ( 0.000 13.504 -5.566) 14.606 4.820 ( 0.000 15.194 -9.323) 17.826 4.949 ( 0.000 22.478 4.074) 22.844 4.988 ( 0.000 14.180 -8.135) 16.348 5.086 ( 0.000 16.409 -17.150) 23.735 5.187 ( 0.000 26.617 -11.872) 29.145 5.611 ( 0.000 1.748 9.360) 9.522 5.834 ( 0.000 5.724 -12.922) 14.133 5.850 ( 0.000 26.501 5.543) 27.075 5.957 ( 0.000 23.452 -6.377) 24.304 6.159 ( 0.000 4.586 4.009) 6.091 6.292 ( 0.000 1.114 -8.781) 8.852 6.812 ( 0.000 -3.268 24.223) 24.442 7.284 ( 0.000 -8.700 -23.620) 25.171 7.739 ( 0.000 -4.196 15.689) 16.241 7.931 ( 0.000 -0.380 -6.322) 6.334 8.203 ( 0.000 -1.584 8.979) 9.118 8.264 ( 0.000 -2.549 18.612) 18.786 8.355 ( 0.000 -4.897 -6.500) 8.138 8.533 ( 0.000 -4.435 -11.517) 12.341 8.763 ( 0.000 -3.553 8.243) 8.976 8.934 ( 0.000 -5.224 -8.539) 10.010 9.035 ( 0.000 -2.140 10.421) 10.639 9.186 ( 0.000 1.874 4.449) 4.828 9.269 ( 0.000 12.188 -3.533) 12.690 9.285 ( 0.000 6.788 -11.712) 13.537 9.568 ( 0.000 18.595 4.251) 19.074 9.667 ( 0.000 20.615 -7.558) 21.957 9.857 ( 0.000 18.413 5.287) 19.157 9.912 ( 0.000 22.232 -2.978) 22.431 10.285 ( 0.000 0.653 10.050) 10.072 10.524 ( 0.000 -1.720 -12.175) 12.296 10.645 ( 0.000 1.965 2.836) 3.450 10.674 ( 0.000 4.766 -1.085) 4.888 10.733 ( 0.000 7.123 1.142) 7.214 10.747 ( 0.000 6.568 1.389) 6.713 10.863 ( 0.000 8.302 5.805) 10.130 11.005 ( 0.000 5.103 -7.948) 9.445 11.056 ( 0.000 -0.432 3.086) 3.116 11.117 ( 0.000 -0.943 -2.922) 3.071 11.389 ( 0.000 -2.210 9.938) 10.181 11.499 ( 0.000 0.752 -1.108) 1.339 11.597 ( 0.000 6.214 1.892) 6.495 11.797 ( 0.000 5.203 -21.440) 22.062 11.870 ( 0.000 1.644 17.276) 17.354 12.239 ( 0.000 0.918 -20.520) 20.540 12.875 ( 0.000 -2.090 11.823) 12.006 13.006 ( 0.000 -2.553 -2.342) 3.464 13.128 ( 0.000 -9.332 0.688) 9.357 13.132 ( 0.000 -8.905 0.541) 8.921 13.280 ( 0.000 0.872 1.433) 1.678 13.303 ( 0.000 1.839 -0.689) 1.964 13.472 ( 0.000 4.209 6.860) 8.049 13.597 ( 0.000 3.286 -6.591) 7.365 13.901 ( 0.000 -1.835 2.444) 3.057 13.955 ( 0.000 -1.692 -2.161) 2.744 14.594 ( 0.000 3.564 0.608) 3.615 14.599 ( 0.000 0.153 -0.270) 0.310 15.841 ( 0.000 -6.952 1.503) 7.112 15.933 ( 0.000 -7.737 -9.101) 11.945 16.754 ( 0.000 -10.078 11.694) 15.437 16.877 ( 0.000 -10.978 -1.051) 11.029 17.786 ( 0.000 -2.374 0.081) 2.375 17.838 ( 0.000 -3.614 -6.081) 7.074 18.726 ( 0.000 -2.927 4.896) 5.704 18.826 ( 0.000 0.992 -7.240) 7.307 19.331 ( 0.000 -7.436 8.912) 11.606 19.501 ( 0.000 -8.392 -8.914) 12.243 20.472 ( 0.000 -16.064 8.569) 18.206 20.589 ( 0.000 -21.863 -2.840) 22.047 ======================= Grid point 176 (59/81) ======================= q-point: ( 0.20 0.06 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 20.936 14.978 29.631) 39.251 2.244 ( 16.638 27.142 34.096) 46.648 2.569 ( 11.329 10.449 -28.900) 32.753 2.850 ( 12.177 25.727 -31.721) 42.620 3.624 ( 19.365 32.067 51.064) 63.331 3.708 ( -12.342 14.028 15.865) 24.512 3.830 ( -16.734 15.522 17.357) 28.674 3.962 ( -13.485 17.212 -0.902) 21.884 4.178 ( -11.760 5.812 -8.989) 15.902 4.325 ( 1.650 8.337 -3.744) 9.287 4.399 ( 0.861 18.296 3.143) 18.584 4.518 ( 0.052 20.799 -5.794) 21.591 4.640 ( 2.585 13.612 -11.031) 17.710 4.671 ( -5.626 11.205 -9.990) 16.031 4.806 ( 1.555 19.457 -0.998) 19.545 4.868 ( 4.357 18.633 -9.696) 21.452 5.024 ( 3.767 7.967 -4.543) 9.914 5.078 ( 8.408 23.096 4.494) 24.986 5.149 ( 9.987 11.659 -13.028) 20.134 5.272 ( 6.840 26.947 -11.321) 30.018 5.774 ( 5.960 12.141 4.158) 14.149 5.858 ( 4.546 16.187 2.182) 16.954 5.901 ( 1.051 21.626 -2.521) 21.798 6.033 ( 6.039 6.955 -9.338) 13.116 6.259 ( 4.794 1.370 1.087) 5.104 6.326 ( 6.000 2.134 -5.397) 8.348 6.813 ( 0.134 -3.858 17.726) 18.142 7.215 ( -7.639 -6.803 -22.538) 24.751 7.443 ( -20.702 -2.776 15.228) 25.848 7.695 ( -20.808 -3.662 -10.778) 23.718 8.115 ( -11.214 -2.576 8.977) 14.594 8.199 ( -10.896 -2.420 6.555) 12.944 8.248 ( -0.691 -0.278 -1.308) 1.505 8.423 ( -5.351 -2.287 -10.802) 12.270 8.751 ( -3.788 -4.998 1.378) 6.421 8.775 ( -6.222 -5.357 -0.657) 8.236 9.137 ( 4.114 6.951 4.646) 9.318 9.212 ( 1.220 7.507 -1.271) 7.711 9.241 ( 1.811 11.393 3.754) 12.131 9.342 ( -1.873 15.690 -7.123) 17.333 9.565 ( 0.588 14.183 12.362) 18.823 9.734 ( 8.346 9.574 -2.776) 13.001 9.901 ( 4.888 13.059 3.869) 14.471 9.960 ( 5.812 14.538 -1.301) 15.711 10.383 ( -17.082 1.266 7.751) 18.801 10.460 ( -3.603 4.986 -2.720) 6.726 10.507 ( -1.556 3.710 1.179) 4.192 10.557 ( -2.443 6.239 -3.240) 7.443 10.715 ( -0.551 1.080 8.983) 9.065 10.801 ( 4.425 1.861 -0.937) 4.891 10.898 ( 4.612 9.605 2.088) 10.858 11.005 ( 6.244 4.435 -8.045) 11.107 11.211 ( 6.756 -2.923 -1.874) 7.596 11.249 ( 7.710 -2.812 -5.026) 9.624 11.513 ( 8.436 0.779 6.201) 10.499 11.554 ( 6.512 3.422 0.762) 7.396 11.604 ( -0.310 5.342 3.412) 6.346 11.795 ( -2.344 3.009 -15.884) 16.336 11.895 ( 4.467 2.586 10.795) 11.965 12.193 ( 0.149 2.777 -17.967) 18.181 12.910 ( 0.091 -2.481 11.358) 11.626 13.031 ( -2.887 -5.576 -2.042) 6.602 13.130 ( 0.715 -9.444 1.946) 9.669 13.172 ( 3.163 -7.180 -2.095) 8.121 13.298 ( 1.455 2.685 2.151) 3.735 13.333 ( 1.315 3.944 -1.272) 4.348 13.403 ( -3.311 2.970 7.690) 8.884 13.552 ( -1.304 2.161 -7.769) 8.169 13.812 ( -6.433 -1.684 5.057) 8.354 13.933 ( -2.581 -2.048 -6.163) 6.989 14.649 ( 4.754 1.508 2.167) 5.437 14.672 ( 5.533 1.232 -0.178) 5.672 15.880 ( 3.790 -7.167 1.407) 8.228 15.956 ( 2.537 -7.704 -7.319) 10.925 16.587 ( -13.389 -9.339 8.970) 18.627 16.684 ( -15.017 -9.659 -1.156) 17.892 17.938 ( 10.861 -3.815 -0.603) 11.528 17.965 ( 9.729 -3.936 -4.051) 11.250 18.709 ( -1.200 -2.145 6.348) 6.807 18.830 ( -0.788 0.379 -7.248) 7.301 19.372 ( 4.902 -8.322 9.437) 13.503 19.555 ( 5.106 -9.045 -9.784) 14.269 20.329 ( -12.461 -14.654 4.486) 19.752 20.356 ( -18.289 -17.199 2.901) 25.273 ======================= Grid point 177 (60/81) ======================= q-point: ( 0.40 0.06 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 29.359 11.142 18.702) 36.550 2.687 ( 23.184 21.938 25.536) 40.877 2.903 ( 14.013 7.010 -8.893) 18.016 3.166 ( 3.045 21.184 -13.323) 25.210 3.273 ( -10.785 26.513 2.059) 28.697 3.382 ( -16.112 8.402 13.511) 22.644 3.547 ( -20.406 15.212 -9.221) 27.071 3.712 ( -25.233 14.665 -13.674) 32.230 4.230 ( 23.738 24.009 29.889) 45.092 4.388 ( 2.046 15.847 1.434) 16.043 4.444 ( 2.660 15.835 3.087) 16.351 4.494 ( -0.807 19.530 1.563) 19.609 4.636 ( 1.759 9.194 -1.259) 9.445 4.720 ( -0.445 16.607 -3.025) 16.886 4.831 ( 1.704 23.077 3.812) 23.452 4.962 ( -6.902 9.919 16.863) 20.746 5.147 ( 13.054 11.386 -17.555) 24.662 5.236 ( 4.502 20.039 1.431) 20.588 5.394 ( 5.215 18.698 -8.586) 21.225 5.426 ( 7.260 21.081 -19.840) 29.845 5.794 ( 2.316 23.546 0.617) 23.667 5.853 ( -2.033 25.761 -4.882) 26.299 5.983 ( -1.797 6.669 5.735) 8.977 6.087 ( -2.638 4.628 -2.288) 5.798 6.266 ( 4.775 0.469 0.581) 4.833 6.444 ( -4.866 0.594 -14.125) 14.951 6.845 ( 3.730 -4.867 0.823) 6.187 6.992 ( -8.792 -3.720 -11.255) 14.759 7.259 ( 4.969 -1.855 2.141) 5.720 7.357 ( -1.711 -4.827 -7.741) 9.281 7.718 ( -18.544 -3.387 6.145) 19.827 7.818 ( -21.914 -1.797 -4.023) 22.352 8.341 ( 4.744 -0.872 0.612) 4.862 8.382 ( 0.748 -2.291 -4.417) 5.031 8.664 ( -2.851 -2.685 -0.097) 3.917 8.678 ( -3.541 -3.622 -1.935) 5.422 9.200 ( 2.273 14.037 1.051) 14.259 9.229 ( 0.193 12.579 -1.856) 12.716 9.268 ( -0.185 16.958 0.153) 16.959 9.280 ( -2.207 20.652 -1.818) 20.849 9.680 ( 10.747 2.122 26.804) 28.957 9.950 ( 3.053 3.720 9.918) 11.024 9.976 ( -3.217 3.774 6.496) 8.172 10.058 ( 3.797 5.659 0.836) 6.865 10.119 ( 2.003 7.492 0.811) 7.798 10.241 ( -11.514 3.218 -1.891) 12.104 10.372 ( -4.395 8.532 2.951) 10.041 10.437 ( -7.523 7.579 -0.759) 10.705 10.902 ( 4.950 4.343 -0.125) 6.586 10.918 ( 4.843 5.884 -1.786) 7.827 11.004 ( 8.338 -0.398 0.180) 8.349 11.128 ( 2.826 -2.381 -9.955) 10.619 11.258 ( -1.593 -2.130 -2.065) 3.367 11.298 ( -2.588 -2.356 -6.654) 7.518 11.578 ( -0.733 4.488 1.701) 4.855 11.602 ( -2.915 5.970 -1.230) 6.757 11.770 ( 12.420 2.467 9.469) 15.811 11.857 ( 6.998 3.472 6.078) 9.898 12.042 ( 8.321 1.514 -6.208) 10.492 12.213 ( -2.952 3.263 -16.243) 16.828 12.825 ( -4.052 -1.992 6.002) 7.511 12.883 ( -8.262 -3.634 -0.287) 9.030 13.162 ( 1.588 -7.777 1.904) 8.163 13.190 ( -0.899 -5.585 -1.139) 5.771 13.284 ( -1.024 1.980 1.279) 2.570 13.294 ( -1.916 2.921 0.275) 3.504 13.469 ( 7.384 0.621 9.689) 12.198 13.641 ( -6.071 -0.311 10.655) 12.268 13.682 ( 6.716 -1.705 -13.558) 15.226 13.845 ( -5.936 -1.855 -11.153) 12.770 14.753 ( 3.781 0.859 2.522) 4.626 14.771 ( 2.423 0.782 0.618) 2.620 16.016 ( 9.194 -7.674 2.358) 12.206 16.070 ( 8.736 -7.808 -3.737) 12.299 16.277 ( -14.030 -8.552 5.298) 17.264 16.344 ( -15.310 -8.578 -1.753) 17.636 18.135 ( 6.184 -4.793 -1.413) 7.951 18.150 ( 5.245 -4.476 -3.061) 7.544 18.699 ( 1.049 -0.957 5.673) 5.848 18.767 ( -4.427 -0.160 -1.536) 4.689 19.572 ( 13.689 -10.098 7.761) 18.697 19.727 ( 11.010 -10.422 -8.542) 17.401 19.933 ( -18.973 -12.437 7.228) 23.809 20.022 ( -15.249 -12.266 -2.896) 19.783 ======================= Grid point 180 (61/81) ======================= q-point: ( 0.00 0.12 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.000 27.899 25.979) 38.122 2.591 ( 0.000 23.894 17.416) 29.568 2.863 ( 0.000 28.010 -13.727) 31.193 3.246 ( 0.000 26.099 -28.371) 38.550 4.012 ( 0.000 12.373 12.778) 17.787 4.202 ( 0.000 3.719 -2.072) 4.257 4.373 ( 0.000 54.924 37.720) 66.629 4.400 ( 0.000 6.549 3.301) 7.334 4.481 ( 0.000 5.348 -4.072) 6.722 4.777 ( 0.000 25.788 3.435) 26.016 4.818 ( 0.000 11.890 -4.805) 12.824 4.919 ( 0.000 19.410 -10.981) 22.301 5.012 ( 0.000 31.927 -4.391) 32.227 5.043 ( 0.000 32.981 -5.293) 33.403 5.200 ( 0.000 31.034 0.336) 31.036 5.221 ( 0.000 29.336 -3.081) 29.497 5.530 ( 0.000 22.087 3.987) 22.444 5.548 ( 0.000 23.168 7.081) 24.226 5.625 ( 0.000 21.795 -2.016) 21.888 5.672 ( 0.000 39.598 -15.632) 42.572 5.928 ( 0.000 31.328 -7.322) 32.173 5.989 ( 0.000 14.540 -14.632) 20.628 6.304 ( 0.000 16.636 3.583) 17.018 6.406 ( 0.000 15.532 -5.853) 16.598 6.512 ( 0.000 36.430 9.391) 37.621 6.684 ( 0.000 41.047 -8.748) 41.969 6.749 ( 0.000 -1.641 19.822) 19.890 7.133 ( 0.000 -5.819 -18.352) 19.253 7.671 ( 0.000 -2.091 16.523) 16.655 7.927 ( 0.000 0.336 -11.011) 11.016 8.176 ( 0.000 -2.805 8.782) 9.219 8.291 ( 0.000 -1.286 -4.924) 5.089 8.301 ( 0.000 8.112 13.162) 15.461 8.488 ( 0.000 1.033 -5.045) 5.150 8.699 ( 0.000 -2.469 3.148) 4.001 8.830 ( 0.000 -4.670 -11.337) 12.261 8.998 ( 0.000 0.070 10.930) 10.930 9.143 ( 0.000 -2.021 2.130) 2.937 9.451 ( 0.000 4.189 -4.940) 6.477 9.485 ( 0.000 6.863 -4.305) 8.101 9.908 ( 0.000 12.851 2.824) 13.157 9.982 ( 0.000 11.567 -5.294) 12.721 10.205 ( 0.000 11.413 11.709) 16.351 10.401 ( 0.000 18.724 -9.402) 20.952 10.419 ( 0.000 15.011 0.541) 15.020 10.487 ( 0.000 3.063 -6.492) 7.179 10.718 ( 0.000 7.537 6.859) 10.191 10.810 ( 0.000 8.717 -3.565) 9.418 10.842 ( 0.000 2.395 1.761) 2.973 10.845 ( 0.000 1.310 1.708) 2.153 11.062 ( 0.000 5.511 4.480) 7.102 11.089 ( 0.000 7.989 0.912) 8.040 11.104 ( 0.000 3.271 -2.160) 3.920 11.155 ( 0.000 6.920 -4.411) 8.206 11.358 ( 0.000 0.482 11.740) 11.750 11.557 ( 0.000 4.892 -6.740) 8.328 11.742 ( 0.000 7.985 1.912) 8.210 11.878 ( 0.000 2.551 -15.886) 16.090 11.951 ( 0.000 7.161 14.737) 16.384 12.283 ( 0.000 3.519 -19.530) 19.845 12.828 ( 0.000 -3.687 11.703) 12.270 12.914 ( 0.000 -10.174 0.297) 10.178 12.922 ( 0.000 -8.830 1.718) 8.995 12.990 ( 0.000 -0.787 -2.775) 2.885 13.311 ( 0.000 2.564 2.649) 3.687 13.325 ( 0.000 0.564 1.665) 1.758 13.537 ( 0.000 1.918 4.761) 5.133 13.635 ( 0.000 0.364 -5.867) 5.878 13.853 ( 0.000 -2.791 2.700) 3.883 13.913 ( 0.000 -2.328 -2.622) 3.506 14.594 ( 0.000 -0.780 4.042) 4.117 14.674 ( 0.000 3.569 -4.236) 5.539 15.643 ( 0.000 -12.537 0.483) 12.546 15.712 ( 0.000 -14.117 -7.607) 16.036 16.467 ( 0.000 -18.189 9.060) 20.320 16.563 ( 0.000 -20.016 -0.676) 20.027 17.719 ( 0.000 -4.136 -1.723) 4.481 17.742 ( 0.000 -5.705 -4.691) 7.386 18.629 ( 0.000 -6.973 8.852) 11.269 18.793 ( 0.000 -5.103 -10.290) 11.486 19.124 ( 0.000 -12.898 6.795) 14.579 19.264 ( 0.000 -14.955 -7.795) 16.865 20.062 ( 0.000 -23.401 5.049) 23.940 20.101 ( 0.000 -24.974 1.877) 25.044 ======================= Grid point 181 (62/81) ======================= q-point: ( 0.20 0.12 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 15.768 24.842 22.371) 36.963 2.754 ( 14.361 21.361 16.516) 30.583 2.928 ( 6.688 26.380 -9.204) 28.729 3.369 ( 10.740 24.512 -27.257) 38.199 3.943 ( -8.530 12.755 13.514) 20.447 4.164 ( -17.382 12.831 -4.352) 22.039 4.179 ( -9.714 10.103 4.408) 14.692 4.267 ( -7.619 6.293 -7.223) 12.241 4.571 ( 11.348 49.251 30.523) 59.043 4.789 ( 1.274 19.997 7.255) 21.310 4.865 ( 0.302 19.623 -7.908) 21.159 4.991 ( 1.134 30.399 1.267) 30.446 5.084 ( -0.132 29.282 -6.744) 30.049 5.092 ( 8.680 21.631 -4.457) 23.729 5.126 ( 2.555 22.820 -1.620) 23.019 5.173 ( -1.865 30.932 -4.503) 31.313 5.476 ( 1.040 28.178 8.237) 29.376 5.628 ( 5.653 25.611 5.526) 26.804 5.647 ( 2.807 27.297 -5.673) 28.021 5.849 ( 12.398 25.375 -20.550) 34.927 6.060 ( 10.543 28.933 -2.170) 30.870 6.137 ( 8.361 17.201 -9.534) 21.370 6.365 ( 0.857 17.220 4.823) 17.903 6.421 ( 2.602 19.154 -1.503) 19.388 6.501 ( 2.530 24.769 4.078) 25.229 6.650 ( -2.995 39.152 -9.125) 40.313 6.759 ( 0.289 2.468 15.330) 15.530 7.091 ( -4.226 -4.175 -18.000) 18.955 7.433 ( -18.307 1.959 12.863) 22.460 7.651 ( -21.046 0.585 -8.542) 22.721 8.054 ( -14.849 -3.003 9.118) 17.682 8.180 ( -10.729 0.244 -2.563) 11.034 8.301 ( 2.947 6.421 4.218) 8.228 8.438 ( -4.666 4.949 -10.056) 12.140 8.663 ( -2.417 -3.690 0.981) 4.518 8.685 ( -4.802 -2.920 -1.065) 5.721 9.145 ( 8.466 -1.863 11.922) 14.740 9.285 ( 8.365 0.982 1.195) 8.507 9.464 ( 1.418 4.788 -2.740) 5.696 9.526 ( 2.349 5.063 -6.189) 8.334 9.892 ( -1.578 14.271 4.909) 15.174 9.983 ( 2.930 11.681 -3.317) 12.491 10.202 ( 0.848 12.905 8.060) 15.239 10.315 ( -1.959 15.329 -3.272) 15.797 10.433 ( -14.389 7.252 10.327) 19.139 10.616 ( 1.077 6.126 -0.638) 6.253 10.622 ( -7.024 10.358 -1.176) 12.570 10.648 ( 8.552 6.685 -9.750) 14.591 10.776 ( -5.910 2.514 5.032) 8.159 10.837 ( -1.523 2.417 -1.344) 3.157 11.123 ( 1.920 7.946 -0.207) 8.177 11.154 ( 6.401 2.162 0.681) 6.790 11.168 ( 2.755 7.388 -3.631) 8.681 11.216 ( 6.184 3.961 -4.574) 8.652 11.528 ( 10.642 1.018 9.915) 14.581 11.653 ( 9.706 6.479 -0.113) 11.671 11.739 ( 0.275 7.693 0.886) 7.749 11.831 ( -4.622 0.927 -12.364) 13.232 11.997 ( 4.254 7.693 10.795) 13.922 12.277 ( 1.826 5.132 -17.334) 18.170 12.854 ( -0.479 -4.748 9.964) 11.048 12.913 ( -0.036 -10.658 0.952) 10.701 12.934 ( -1.877 -3.743 1.012) 4.308 13.021 ( 4.307 -5.980 -4.127) 8.446 13.351 ( 3.441 2.415 3.632) 5.556 13.358 ( 0.840 -0.654 3.350) 3.516 13.476 ( -3.905 3.548 3.379) 6.266 13.581 ( -3.747 0.537 -7.253) 8.181 13.768 ( -6.375 -2.468 4.911) 8.417 13.878 ( -2.947 -3.177 -5.638) 7.111 14.657 ( 5.167 -0.302 3.882) 6.469 14.724 ( 4.017 2.838 -3.174) 5.854 15.675 ( 3.260 -12.932 0.568) 13.349 15.734 ( 2.516 -14.124 -6.321) 15.677 16.320 ( -12.063 -16.987 7.425) 22.118 16.403 ( -12.951 -18.009 -1.122) 22.211 17.831 ( 8.554 -6.660 -1.034) 10.891 17.860 ( 8.989 -6.315 -4.358) 11.818 18.637 ( 0.727 -5.159 8.983) 10.385 18.799 ( -0.309 -4.138 -9.459) 10.329 19.140 ( 2.827 -14.381 8.129) 16.760 19.301 ( 3.682 -15.985 -8.676) 18.557 19.942 ( -13.217 -22.219 4.009) 26.162 19.950 ( -10.037 -22.178 2.397) 24.462 ======================= Grid point 182 (63/81) ======================= q-point: ( 0.40 0.12 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 23.718 18.519 14.117) 33.238 3.114 ( 10.883 13.960 -6.574) 18.882 3.156 ( 17.087 22.476 24.574) 37.430 3.552 ( -12.962 16.538 -8.128) 22.530 3.621 ( -5.299 16.055 9.017) 19.161 3.784 ( -17.163 15.352 -7.740) 24.294 3.915 ( -1.388 28.375 -4.895) 28.827 4.131 ( -11.222 20.035 -19.297) 29.995 4.653 ( 2.081 15.740 9.582) 18.544 4.752 ( -6.261 9.941 -0.583) 11.763 4.946 ( 7.055 35.382 11.000) 37.718 5.030 ( -1.576 33.787 1.006) 33.839 5.047 ( 2.488 28.764 -0.461) 28.875 5.103 ( -2.029 24.219 -6.633) 25.193 5.356 ( 11.196 27.652 4.194) 30.126 5.431 ( 18.348 23.483 2.322) 29.891 5.478 ( -1.527 34.617 6.291) 35.217 5.697 ( -0.857 27.322 -2.989) 27.498 5.814 ( 8.763 17.869 10.150) 22.341 5.963 ( -7.014 17.472 0.186) 18.828 6.254 ( 6.686 34.394 -1.577) 35.073 6.309 ( 8.074 25.034 -1.669) 26.357 6.369 ( 8.496 18.727 -7.720) 21.965 6.456 ( -3.694 24.581 0.604) 24.865 6.533 ( -7.214 27.833 -9.988) 30.438 6.586 ( -3.489 23.396 -10.461) 25.864 6.761 ( 2.717 1.118 3.259) 4.388 6.936 ( -9.981 0.405 -12.592) 16.073 7.256 ( 4.138 2.510 0.960) 4.934 7.295 ( -1.685 0.506 -3.718) 4.113 7.659 ( -16.843 -1.632 6.019) 17.961 7.790 ( -22.249 -0.252 -7.205) 23.388 8.388 ( 3.712 6.388 0.498) 7.405 8.411 ( 1.014 5.960 -2.526) 6.552 8.607 ( -1.619 -2.321 0.980) 2.995 8.627 ( -2.487 -1.299 -1.817) 3.343 9.325 ( 7.528 -0.383 10.053) 12.566 9.397 ( 1.448 4.480 2.580) 5.369 9.499 ( 1.778 2.070 -1.254) 3.003 9.541 ( -1.357 2.270 -3.758) 4.595 9.904 ( 3.726 16.515 13.229) 21.485 10.078 ( -12.335 11.628 16.848) 23.900 10.114 ( 8.738 8.811 -5.404) 13.535 10.281 ( -3.931 10.341 -6.292) 12.727 10.304 ( 5.052 11.054 8.698) 14.946 10.438 ( -7.638 15.605 -1.707) 17.458 10.544 ( -4.156 9.115 0.336) 10.024 10.571 ( -6.993 5.953 -1.649) 9.331 10.913 ( 8.792 -2.709 -5.555) 10.747 10.932 ( 6.464 -2.438 -5.645) 8.921 11.109 ( -1.999 5.511 -1.479) 6.046 11.149 ( -3.794 4.278 -6.331) 8.531 11.293 ( 4.598 7.321 0.658) 8.670 11.323 ( 2.158 6.955 -2.830) 7.812 11.639 ( 0.621 1.547 4.591) 4.884 11.691 ( -4.820 2.738 -0.837) 5.606 11.867 ( 11.397 7.471 8.079) 15.843 11.957 ( 9.537 6.054 5.490) 12.560 12.098 ( 6.462 4.487 -2.765) 8.339 12.296 ( -4.173 4.302 -15.950) 17.039 12.785 ( -3.040 -2.349 5.461) 6.677 12.815 ( -5.244 -2.317 1.878) 6.033 12.986 ( 3.786 -8.576 3.481) 10.000 13.061 ( -1.692 -6.412 -3.623) 7.557 13.300 ( -2.209 -0.949 3.203) 4.005 13.336 ( -4.826 0.762 -0.333) 4.897 13.478 ( 5.592 0.441 7.147) 9.086 13.612 ( -5.292 -3.187 0.263) 6.183 13.658 ( 5.723 0.392 -2.200) 6.144 13.795 ( -5.154 -2.701 -9.140) 10.835 14.768 ( 4.102 0.587 2.284) 4.732 14.797 ( 1.633 1.537 -0.774) 2.373 15.796 ( 8.390 -13.956 1.735) 16.376 15.845 ( 8.477 -14.415 -3.672) 17.121 16.034 ( -13.257 -15.404 4.580) 20.833 16.097 ( -14.231 -15.739 -2.003) 21.313 17.999 ( 5.634 -8.558 -1.059) 10.300 18.021 ( 4.095 -8.350 -3.423) 9.910 18.668 ( 2.573 -2.262 5.818) 6.751 18.747 ( -4.132 -2.232 -2.747) 5.441 19.296 ( 11.756 -16.913 7.264) 21.841 19.439 ( 9.501 -17.779 -7.777) 21.607 19.608 ( -16.358 -18.974 6.449) 25.869 19.692 ( -13.120 -19.795 -3.000) 23.937 ======================= Grid point 185 (64/81) ======================= q-point: ( 0.00 0.19 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 0.000 28.498 15.498) 32.440 3.054 ( 0.000 22.905 -0.284) 22.906 3.482 ( 0.000 31.896 4.771) 32.251 3.777 ( 0.000 27.517 -19.023) 33.452 4.265 ( 0.000 12.123 2.183) 12.318 4.298 ( 0.000 5.891 2.847) 6.543 4.496 ( 0.000 4.259 1.534) 4.527 4.569 ( 0.000 5.756 -5.130) 7.710 4.903 ( 0.000 3.994 -3.795) 5.509 4.929 ( 0.000 4.260 -4.501) 6.197 5.265 ( 0.000 20.680 7.107) 21.867 5.427 ( 0.000 18.772 -7.960) 20.389 5.751 ( 0.000 25.687 7.385) 26.728 5.759 ( 0.000 33.146 7.743) 34.039 5.847 ( 0.000 15.039 -0.696) 15.055 5.873 ( 0.000 24.699 2.981) 24.878 5.968 ( 0.000 48.742 -0.739) 48.748 5.985 ( 0.000 41.891 5.517) 42.253 6.257 ( 0.000 18.312 -0.521) 18.320 6.292 ( 0.000 35.013 4.230) 35.267 6.466 ( 0.000 28.243 -8.695) 29.551 6.498 ( 0.000 19.807 6.238) 20.767 6.721 ( 0.000 26.676 -3.244) 26.873 6.883 ( 0.000 14.103 -10.848) 17.792 7.001 ( 0.000 33.577 -2.294) 33.655 7.085 ( 0.000 14.265 -5.042) 15.130 7.328 ( 0.000 41.166 9.071) 42.153 7.524 ( 0.000 41.229 -10.269) 42.488 7.673 ( 0.000 2.455 15.723) 15.914 7.960 ( 0.000 3.127 -15.439) 15.752 8.123 ( 0.000 -2.226 7.778) 8.091 8.266 ( 0.000 -1.700 -7.114) 7.315 8.532 ( 0.000 12.371 11.666) 17.004 8.622 ( 0.000 11.046 1.446) 11.141 8.704 ( 0.000 4.359 -1.667) 4.667 8.800 ( 0.000 3.732 -11.192) 11.798 9.117 ( 0.000 14.791 7.243) 16.469 9.165 ( 0.000 5.581 7.042) 8.985 9.432 ( 0.000 -3.000 -5.362) 6.144 9.487 ( 0.000 -6.071 -6.761) 9.087 10.078 ( 0.000 4.126 4.271) 5.939 10.167 ( 0.000 7.050 -5.398) 8.879 10.286 ( 0.000 0.479 3.683) 3.714 10.354 ( 0.000 -5.662 -3.238) 6.522 10.711 ( 0.000 5.371 6.724) 8.606 10.761 ( 0.000 -5.458 1.262) 5.601 10.773 ( 0.000 -4.921 2.372) 5.463 10.857 ( 0.000 10.650 -7.228) 12.871 10.966 ( 0.000 14.061 6.250) 15.387 11.057 ( 0.000 13.291 -3.784) 13.819 11.191 ( 0.000 5.887 6.585) 8.833 11.225 ( 0.000 9.998 -1.471) 10.105 11.231 ( 0.000 10.125 1.077) 10.182 11.332 ( 0.000 10.954 -5.928) 12.455 11.456 ( 0.000 7.452 8.013) 10.942 11.659 ( 0.000 4.078 -11.703) 12.393 11.891 ( 0.000 6.289 -0.157) 6.291 11.912 ( 0.000 1.271 -5.055) 5.212 12.163 ( 0.000 13.643 9.216) 16.465 12.380 ( 0.000 6.585 -13.551) 15.066 12.703 ( 0.000 -4.276 3.517) 5.537 12.749 ( 0.000 -4.321 -1.271) 4.504 12.867 ( 0.000 0.810 10.149) 10.181 12.999 ( 0.000 1.155 -2.548) 2.798 13.332 ( 0.000 0.073 6.792) 6.792 13.395 ( 0.000 6.021 1.136) 6.127 13.559 ( 0.000 0.895 2.795) 2.934 13.618 ( 0.000 -1.687 -4.827) 5.113 13.795 ( 0.000 -2.893 3.965) 4.908 13.869 ( 0.000 -1.930 -3.212) 3.747 14.560 ( 0.000 -3.060 6.743) 7.405 14.705 ( 0.000 -1.195 -8.606) 8.689 15.361 ( 0.000 -14.936 -1.432) 15.004 15.390 ( 0.000 -17.330 -5.224) 18.101 16.051 ( 0.000 -22.834 5.225) 23.424 16.103 ( 0.000 -25.301 0.282) 25.302 17.619 ( 0.000 -6.483 -3.053) 7.166 17.628 ( 0.000 -4.826 -3.471) 5.945 18.447 ( 0.000 -11.089 10.876) 15.532 18.618 ( 0.000 -12.000 -8.472) 14.689 18.832 ( 0.000 -16.019 3.459) 16.388 18.916 ( 0.000 -19.685 -5.185) 20.356 19.586 ( 0.000 -23.375 4.512) 23.807 19.631 ( 0.000 -21.668 -0.031) 21.668 ======================= Grid point 186 (65/81) ======================= q-point: ( 0.20 0.19 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 11.191 26.487 14.233) 32.084 3.166 ( 9.925 20.705 -0.875) 22.978 3.509 ( 2.957 29.469 8.120) 30.710 3.850 ( 5.861 24.110 -19.000) 31.251 4.202 ( -7.165 12.434 3.156) 14.693 4.332 ( 1.812 6.966 -3.549) 8.026 4.368 ( -10.821 8.751 0.476) 13.925 4.446 ( -6.492 12.024 -4.086) 14.262 4.931 ( -0.044 3.812 3.295) 5.039 5.010 ( 5.311 3.558 -5.951) 8.735 5.402 ( 11.973 21.197 11.227) 26.809 5.515 ( -4.538 16.479 0.687) 17.106 5.599 ( -8.483 18.972 -2.923) 20.987 5.665 ( 4.285 27.650 -7.762) 29.037 5.810 ( -1.588 27.605 7.409) 28.626 5.918 ( -1.691 28.302 -4.325) 28.680 5.967 ( 4.904 37.504 7.233) 38.508 6.037 ( 3.933 36.251 0.824) 36.473 6.347 ( 4.443 42.099 10.219) 43.548 6.411 ( 11.446 23.003 2.436) 25.808 6.515 ( -1.550 7.911 8.929) 12.030 6.587 ( 10.239 18.282 -2.418) 21.093 6.744 ( 4.460 36.854 -11.681) 38.917 6.879 ( -3.219 4.960 -15.251) 16.357 7.021 ( 3.582 32.895 -1.898) 33.144 7.091 ( 1.964 24.049 -2.317) 24.240 7.288 ( -6.126 37.761 7.873) 39.057 7.469 ( -6.573 33.489 -9.356) 35.387 7.538 ( -9.215 10.223 12.507) 18.597 7.780 ( -12.392 13.629 -12.159) 22.071 8.017 ( -11.681 0.755 8.821) 14.657 8.211 ( -7.722 3.379 -10.655) 13.586 8.494 ( 0.127 10.900 7.646) 13.314 8.618 ( -6.144 6.403 -5.354) 10.364 8.681 ( 1.609 12.756 0.229) 12.859 8.699 ( -1.363 6.149 -1.294) 6.430 9.173 ( 3.992 6.392 11.098) 13.415 9.321 ( 9.430 5.165 1.429) 10.846 9.440 ( 0.084 -3.984 -4.485) 6.000 9.526 ( 2.291 -3.547 -6.814) 8.017 10.106 ( 2.100 6.853 4.008) 8.212 10.187 ( 2.652 8.062 -4.508) 9.610 10.257 ( -0.574 -1.848 8.956) 9.163 10.354 ( -2.690 -4.419 -0.739) 5.226 10.630 ( -7.990 -1.075 7.120) 10.756 10.717 ( -4.257 -2.747 2.725) 5.753 10.736 ( 0.172 -1.205 -0.006) 1.217 10.883 ( 0.879 5.684 -5.944) 8.271 10.896 ( -5.290 14.924 -3.613) 16.241 10.916 ( -3.562 14.502 -3.237) 15.280 11.181 ( 1.370 6.336 1.573) 6.671 11.253 ( 0.524 6.977 -5.992) 9.212 11.390 ( 6.032 11.396 1.688) 13.004 11.420 ( 6.576 10.929 -0.965) 12.791 11.576 ( 8.020 3.907 10.105) 13.479 11.781 ( 10.520 5.115 -9.729) 15.215 11.855 ( -2.896 4.681 1.582) 5.727 11.919 ( 2.051 7.764 -3.402) 8.721 12.190 ( 2.257 11.339 8.660) 14.445 12.391 ( 1.334 6.525 -12.225) 13.921 12.714 ( 1.591 -4.549 4.657) 6.702 12.757 ( -0.481 -4.800 0.669) 4.870 12.907 ( 2.644 0.148 2.857) 3.895 12.966 ( -2.241 -0.190 -0.575) 2.322 13.320 ( -2.027 -2.546 6.790) 7.530 13.405 ( -0.174 2.497 0.074) 2.504 13.529 ( -3.420 1.775 2.186) 4.430 13.588 ( -1.080 1.146 -4.746) 5.001 13.724 ( -5.443 -1.664 5.746) 8.088 13.822 ( -3.069 -2.071 -3.920) 5.392 14.637 ( 6.282 -2.034 5.174) 8.389 14.753 ( 3.778 -0.603 -7.022) 7.997 15.383 ( 2.277 -15.676 -1.138) 15.881 15.410 ( 2.258 -17.643 -4.610) 18.374 15.930 ( -10.172 -21.544 4.826) 24.309 15.986 ( -10.007 -23.119 -0.703) 25.202 17.684 ( 5.745 -7.814 -0.962) 9.747 17.719 ( 6.319 -7.744 -4.625) 11.013 18.501 ( 4.609 -8.377 9.747) 13.654 18.652 ( 2.601 -10.538 -7.321) 13.093 18.818 ( -0.210 -17.297 5.353) 18.108 18.932 ( 2.088 -20.589 -6.442) 21.674 19.494 ( -8.202 -22.616 2.674) 24.205 19.510 ( -10.681 -20.318 1.224) 22.987 ======================= Grid point 187 (66/81) ======================= q-point: ( 0.40 0.19 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 17.410 20.805 8.981) 28.576 3.429 ( 12.106 16.980 -2.885) 21.053 3.577 ( 1.645 19.482 15.756) 25.110 3.840 ( -14.994 12.729 -8.169) 21.297 4.005 ( -0.679 21.846 5.702) 22.588 4.137 ( -9.423 20.603 -6.278) 23.509 4.382 ( 5.891 16.463 -3.633) 17.858 4.457 ( 2.459 15.682 -10.593) 19.084 4.842 ( -4.094 5.264 5.648) 8.739 4.958 ( -10.473 8.871 -7.925) 15.849 5.424 ( -0.384 12.290 -1.104) 12.346 5.437 ( -1.848 13.508 -3.172) 13.998 5.715 ( 9.255 24.558 7.720) 27.356 5.785 ( -0.420 32.090 2.612) 32.199 5.825 ( 4.669 27.146 4.134) 27.854 5.932 ( 3.096 17.491 -3.738) 18.152 6.101 ( 5.850 26.913 4.627) 27.927 6.151 ( 4.537 24.663 1.660) 25.132 6.355 ( -1.468 25.218 8.586) 26.680 6.464 ( -2.418 29.222 5.172) 29.774 6.647 ( 6.154 19.566 2.705) 20.688 6.738 ( -2.894 17.326 -8.725) 19.614 6.873 ( 14.444 18.378 -1.298) 23.411 6.946 ( 9.144 27.476 -2.477) 29.063 7.049 ( -7.346 31.340 6.757) 32.891 7.111 ( -0.771 23.596 -7.180) 24.677 7.150 ( 0.166 20.406 -1.109) 20.436 7.237 ( -11.873 25.006 -7.894) 28.785 7.455 ( 3.262 24.333 2.626) 24.691 7.574 ( -7.007 27.337 -8.688) 29.528 7.716 ( -9.590 11.886 3.676) 15.709 7.879 ( -19.227 12.224 -12.920) 26.192 8.579 ( 5.921 8.189 1.834) 10.271 8.598 ( 2.563 8.873 -0.255) 9.239 8.657 ( -1.408 13.281 3.049) 13.699 8.698 ( -2.678 13.377 -1.352) 13.709 9.276 ( 6.001 -3.994 9.128) 11.631 9.401 ( -4.170 -7.992 -2.028) 9.240 9.476 ( 4.363 4.810 0.099) 6.495 9.533 ( -1.505 2.131 -3.827) 4.632 10.170 ( 3.354 9.103 6.778) 11.835 10.241 ( 3.420 0.504 0.921) 3.578 10.256 ( -3.424 3.598 9.080) 10.349 10.337 ( 3.420 3.273 -1.048) 4.848 10.458 ( -4.225 -0.974 8.927) 9.924 10.579 ( -8.400 0.195 2.366) 8.729 10.790 ( 2.563 0.021 -10.002) 10.325 10.820 ( -1.778 13.223 -9.984) 16.664 10.872 ( -0.517 9.323 -0.142) 9.338 10.886 ( -0.685 1.366 -3.249) 3.590 11.214 ( 1.848 5.955 -1.848) 6.503 11.250 ( -1.048 5.948 -6.293) 8.723 11.501 ( 3.908 10.088 2.182) 11.037 11.522 ( 2.223 9.724 0.104) 9.975 11.684 ( 2.492 4.258 5.800) 7.615 11.750 ( -4.315 4.863 -0.051) 6.502 12.041 ( 8.158 9.184 2.356) 12.508 12.070 ( 11.045 4.872 -0.958) 12.110 12.225 ( 1.395 7.978 4.263) 9.153 12.370 ( -5.798 3.599 -10.249) 12.313 12.737 ( 1.910 -1.122 6.097) 6.487 12.794 ( 1.487 -0.255 -0.132) 1.515 12.876 ( -0.086 -1.533 5.642) 5.847 12.968 ( -1.938 -2.338 -3.927) 4.964 13.251 ( -1.815 -3.287 3.003) 4.808 13.317 ( -6.540 -2.460 -3.154) 7.666 13.483 ( 1.237 -0.011 4.867) 5.022 13.550 ( -4.506 -2.202 -1.219) 5.161 13.692 ( 3.428 2.926 2.904) 5.362 13.764 ( -2.757 0.153 -3.743) 4.652 14.772 ( 5.106 -0.439 1.575) 5.361 14.817 ( 1.069 0.097 -3.195) 3.371 15.476 ( 6.893 -17.618 0.495) 18.925 15.511 ( 7.695 -18.460 -3.327) 20.274 15.681 ( -11.686 -19.336 3.183) 22.816 15.734 ( -12.243 -20.025 -2.137) 23.568 17.804 ( 4.164 -10.672 -0.940) 11.494 17.825 ( 2.469 -10.944 -3.196) 11.666 18.599 ( 3.676 -5.145 4.871) 7.982 18.661 ( -2.120 -6.964 -1.712) 7.478 18.923 ( 10.949 -19.609 6.004) 23.247 19.041 ( 8.404 -21.418 -5.928) 23.759 19.222 ( -15.000 -18.652 3.500) 24.189 19.271 ( -11.699 -21.354 -1.819) 24.416 ======================= Grid point 190 (67/81) ======================= q-point: ( 0.00 0.25 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( 0.000 24.117 7.744) 25.330 3.497 ( 0.000 21.044 -4.111) 21.442 4.068 ( 0.000 24.782 10.180) 26.791 4.318 ( 0.000 23.932 -14.136) 27.795 4.426 ( 0.000 6.545 5.444) 8.513 4.461 ( 0.000 7.066 -0.788) 7.109 4.605 ( 0.000 7.889 1.846) 8.103 4.706 ( 0.000 7.461 -8.572) 11.365 5.017 ( 0.000 9.121 -0.059) 9.121 5.057 ( 0.000 9.473 -5.130) 10.773 5.486 ( 0.000 8.434 5.217) 9.918 5.659 ( 0.000 8.654 -10.314) 13.464 6.020 ( 0.000 7.798 5.173) 9.358 6.082 ( 0.000 9.906 -0.949) 9.951 6.256 ( 0.000 8.133 15.777) 17.750 6.505 ( 0.000 22.791 -8.825) 24.439 6.535 ( 0.000 20.238 2.839) 20.436 6.598 ( 0.000 18.293 -4.633) 18.870 6.749 ( 0.000 17.917 8.665) 19.902 6.832 ( 0.000 30.224 4.569) 30.567 6.880 ( 0.000 15.440 -4.132) 15.983 6.959 ( 0.000 18.802 -9.198) 20.932 7.202 ( 0.000 14.233 8.849) 16.760 7.273 ( 0.000 26.002 1.961) 26.076 7.560 ( 0.000 34.544 11.347) 36.360 7.721 ( 0.000 8.547 17.596) 19.562 7.836 ( 0.000 39.099 -17.744) 42.937 8.040 ( 0.000 11.274 -14.177) 18.113 8.086 ( 0.000 4.902 4.247) 6.487 8.184 ( 0.000 2.866 -6.772) 7.354 8.211 ( 0.000 33.434 3.496) 33.616 8.344 ( 0.000 27.924 -11.289) 30.120 8.711 ( 0.000 8.139 10.961) 13.652 8.835 ( 0.000 5.413 -1.866) 5.726 8.930 ( 0.000 14.999 -2.674) 15.236 8.980 ( 0.000 16.281 -8.494) 18.364 9.222 ( 0.000 0.919 6.142) 6.210 9.339 ( 0.000 -2.216 -6.134) 6.522 9.566 ( 0.000 22.254 3.929) 22.598 9.638 ( 0.000 20.946 -3.697) 21.269 10.062 ( 0.000 -1.618 5.520) 5.753 10.134 ( 0.000 -5.674 -1.897) 5.983 10.364 ( 0.000 4.623 2.357) 5.189 10.416 ( 0.000 6.767 -3.596) 7.662 10.535 ( 0.000 -7.214 6.178) 9.498 10.605 ( 0.000 -3.586 -1.250) 3.797 10.821 ( 0.000 2.713 7.054) 7.557 10.949 ( 0.000 -0.056 -6.322) 6.322 11.122 ( 0.000 1.867 5.212) 5.536 11.206 ( 0.000 3.491 -5.082) 6.166 11.270 ( 0.000 0.382 6.344) 6.355 11.451 ( 0.000 4.460 -13.737) 14.443 11.458 ( 0.000 6.391 11.608) 13.251 11.579 ( 0.000 8.990 2.383) 9.301 11.635 ( 0.000 13.395 -3.068) 13.742 11.710 ( 0.000 7.267 -14.635) 16.340 11.996 ( 0.000 9.556 3.084) 10.042 12.045 ( 0.000 11.597 -1.855) 11.744 12.467 ( 0.000 15.801 2.592) 16.013 12.552 ( 0.000 9.944 -6.518) 11.889 12.711 ( 0.000 3.280 4.914) 5.908 12.766 ( 0.000 4.991 -0.370) 5.004 12.931 ( 0.000 6.137 8.579) 10.548 13.045 ( 0.000 4.065 -2.238) 4.641 13.325 ( 0.000 -0.648 13.534) 13.549 13.541 ( 0.000 7.125 -6.612) 9.721 13.589 ( 0.000 0.187 -0.224) 0.291 13.591 ( 0.000 2.454 2.276) 3.347 13.747 ( 0.000 -1.524 5.837) 6.033 13.841 ( 0.000 -0.675 -3.755) 3.815 14.451 ( 0.000 -8.290 5.713) 10.068 14.597 ( 0.000 -10.140 -9.956) 14.211 15.058 ( 0.000 -14.821 -2.463) 15.024 15.080 ( 0.000 -12.343 -4.259) 13.057 15.581 ( 0.000 -23.603 1.282) 23.638 15.584 ( 0.000 -25.732 1.507) 25.776 17.483 ( 0.000 -7.261 -0.871) 7.313 17.527 ( 0.000 -5.336 -5.224) 7.467 18.199 ( 0.000 -13.379 9.645) 16.493 18.341 ( 0.000 -14.947 -5.551) 15.945 18.493 ( 0.000 -22.096 -1.086) 22.123 18.493 ( 0.000 -17.585 -0.785) 17.603 19.152 ( 0.000 -19.861 6.077) 20.770 19.234 ( 0.000 -18.493 -2.701) 18.689 ======================= Grid point 191 (68/81) ======================= q-point: ( 0.20 0.25 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 7.901 22.724 7.092) 25.082 3.571 ( 6.579 19.298 -3.604) 20.704 4.038 ( -2.501 22.001 10.365) 24.448 4.287 ( -4.406 16.623 -10.620) 20.212 4.400 ( -2.794 6.889 0.547) 7.455 4.474 ( 3.244 8.463 -4.909) 10.308 4.611 ( 0.731 15.679 3.655) 16.116 4.717 ( 0.616 14.122 -7.272) 15.896 5.024 ( 0.081 7.406 3.224) 8.078 5.094 ( 3.141 6.040 -4.414) 8.113 5.597 ( 8.512 6.509 6.972) 12.784 5.773 ( 5.117 7.034 -9.648) 12.990 5.814 ( -11.637 10.357 8.670) 17.828 6.008 ( -4.927 11.534 -11.252) 16.850 6.264 ( 0.240 9.187 12.841) 15.790 6.470 ( -2.192 16.160 -7.827) 18.089 6.582 ( 3.336 22.342 6.594) 23.532 6.641 ( -1.310 21.660 1.782) 21.772 6.737 ( -1.046 17.740 0.911) 17.794 6.810 ( 4.811 19.203 3.956) 20.188 6.887 ( -1.730 9.016 -4.570) 10.255 6.967 ( 1.889 25.292 -8.637) 26.793 7.243 ( 4.491 17.440 12.789) 22.089 7.350 ( 4.337 20.855 2.107) 21.405 7.574 ( -0.036 39.831 12.265) 41.677 7.657 ( -5.563 6.399 11.104) 13.971 7.828 ( -4.100 28.975 -11.887) 31.586 7.895 ( -8.370 7.032 -12.855) 16.874 8.009 ( -5.240 26.123 3.963) 26.937 8.093 ( -3.465 25.783 -4.890) 26.470 8.319 ( 3.992 16.392 -2.357) 17.035 8.395 ( 0.824 22.123 -9.605) 24.132 8.684 ( 0.561 11.013 7.203) 13.171 8.771 ( -2.375 8.501 -1.592) 8.969 8.963 ( 2.292 18.131 -1.117) 18.309 9.022 ( 3.177 19.878 -6.470) 21.144 9.240 ( 0.182 1.029 5.517) 5.616 9.353 ( -0.913 -2.556 -6.099) 6.676 9.614 ( 4.152 20.050 3.516) 20.775 9.681 ( 3.520 19.705 -3.983) 20.409 10.110 ( 4.511 -2.986 6.893) 8.763 10.190 ( 4.215 -4.795 -1.471) 6.551 10.342 ( -1.424 7.921 3.486) 8.771 10.397 ( -1.266 5.874 -2.123) 6.373 10.471 ( -5.053 -6.065 5.219) 9.464 10.555 ( -2.996 -4.445 -2.529) 5.927 10.756 ( -4.882 -0.349 6.904) 8.463 10.891 ( -4.837 -4.143 -6.650) 9.208 11.103 ( -1.344 5.900 2.613) 6.591 11.149 ( -2.822 6.277 -2.663) 7.379 11.302 ( 0.848 2.890 1.397) 3.320 11.400 ( -1.821 4.672 -6.857) 8.494 11.532 ( 3.436 2.366 2.614) 4.923 11.614 ( 1.028 5.160 -3.645) 6.401 11.697 ( 7.983 11.222 5.794) 14.941 11.874 ( 9.095 5.354 -12.038) 16.009 12.012 ( 2.395 12.349 5.915) 13.901 12.105 ( 5.234 12.139 -3.489) 13.672 12.434 ( -2.332 12.295 3.967) 13.128 12.541 ( -0.905 8.055 -7.057) 10.747 12.732 ( 2.230 3.728 5.198) 6.775 12.771 ( 0.335 7.204 1.769) 7.425 12.940 ( 1.101 3.889 3.912) 5.625 12.995 ( -4.181 3.289 0.583) 5.351 13.270 ( -4.261 -2.029 9.468) 10.579 13.433 ( -6.720 0.578 -6.250) 9.195 13.562 ( -3.524 1.758 5.146) 6.480 13.646 ( -0.753 3.904 -3.909) 5.576 13.719 ( -0.208 1.955 6.921) 7.194 13.803 ( -1.306 0.273 -1.807) 2.246 14.555 ( 8.333 -6.792 4.101) 11.506 14.673 ( 6.077 -8.116 -8.533) 13.252 15.064 ( 0.817 -15.687 -2.312) 15.878 15.084 ( 0.655 -13.437 -3.960) 14.024 15.482 ( -7.974 -22.740 2.430) 24.220 15.512 ( -6.963 -23.426 -0.565) 24.445 17.521 ( 3.084 -8.606 -0.734) 9.172 17.557 ( 2.306 -8.161 -4.311) 9.513 18.301 ( 9.003 -12.000 7.968) 16.986 18.393 ( 3.834 -14.678 -1.279) 15.225 18.467 ( -1.845 -18.029 -0.118) 18.124 18.498 ( 1.459 -21.389 -4.379) 21.881 19.073 ( -7.122 -19.191 4.882) 21.044 19.138 ( -8.694 -17.255 -1.988) 19.424 ======================= Grid point 192 (69/81) ======================= q-point: ( 0.40 0.25 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 12.161 18.415 4.124) 22.450 3.762 ( 11.098 15.735 -2.624) 19.433 3.930 ( -7.617 15.775 7.847) 19.194 4.074 ( -14.184 10.742 -6.062) 18.797 4.417 ( 5.766 15.868 7.441) 18.450 4.541 ( -2.378 16.988 -1.664) 17.235 4.689 ( 6.950 16.628 -3.450) 18.350 4.752 ( 3.308 13.583 -8.411) 16.316 4.974 ( -2.472 10.501 4.501) 11.689 5.090 ( -6.214 5.882 -7.410) 11.319 5.572 ( -3.291 5.563 1.504) 6.636 5.625 ( -8.275 6.833 -4.791) 11.752 5.923 ( 13.380 7.241 12.375) 19.611 6.110 ( 1.607 8.838 1.723) 9.147 6.278 ( 4.780 4.303 -3.118) 7.147 6.412 ( -3.647 16.233 -7.377) 18.200 6.513 ( -3.135 17.596 6.111) 18.889 6.585 ( -7.188 14.615 -2.244) 16.441 6.787 ( 5.261 31.550 0.796) 31.996 6.851 ( -0.971 29.400 -5.080) 29.851 7.040 ( 13.737 7.142 0.688) 15.498 7.065 ( 7.988 7.829 -0.473) 11.194 7.326 ( -6.290 6.088 8.209) 12.000 7.359 ( 0.312 12.076 5.334) 13.205 7.440 ( -11.175 18.262 3.632) 21.716 7.500 ( -5.531 29.165 2.025) 29.754 7.712 ( 0.005 24.782 5.563) 25.398 7.780 ( -4.791 21.756 2.598) 22.428 8.025 ( 5.055 30.232 -4.219) 30.941 8.076 ( 1.479 27.533 -5.782) 28.172 8.284 ( -5.318 27.265 -8.260) 28.981 8.300 ( -6.146 33.884 -8.416) 35.451 8.808 ( 8.612 13.267 3.045) 16.107 8.860 ( 8.279 12.531 -2.732) 15.266 8.972 ( -2.657 14.844 3.224) 15.421 9.034 ( -3.642 17.172 -3.151) 17.835 9.233 ( 0.708 6.392 0.760) 6.475 9.286 ( -3.968 2.505 -3.881) 6.089 9.702 ( 3.323 16.039 1.604) 16.459 9.736 ( 0.527 15.984 -2.196) 16.143 10.213 ( 3.476 0.299 4.821) 5.951 10.242 ( 0.039 1.166 1.282) 1.734 10.341 ( 0.477 5.193 4.766) 7.064 10.378 ( -1.996 -2.166 7.933) 8.462 10.413 ( 3.903 1.724 -1.160) 4.421 10.520 ( -2.294 -2.417 -1.997) 3.886 10.673 ( -0.352 -6.479 0.537) 6.510 10.764 ( -6.441 -6.653 -6.492) 11.309 11.086 ( 0.086 7.747 0.712) 7.780 11.105 ( -1.506 7.494 -1.188) 7.735 11.308 ( 0.585 2.390 -2.705) 3.656 11.346 ( -2.728 2.195 -6.334) 7.237 11.612 ( 3.156 1.586 2.205) 4.164 11.640 ( 0.496 2.645 -0.235) 2.702 11.833 ( 4.271 9.733 2.865) 11.008 11.909 ( -2.913 9.380 -3.297) 10.360 12.187 ( 9.900 8.183 -0.225) 12.846 12.233 ( 5.581 10.597 -3.013) 12.350 12.398 ( -1.147 8.525 4.592) 9.751 12.472 ( -6.245 6.761 -3.633) 9.895 12.773 ( 2.860 4.320 7.512) 9.126 12.848 ( 3.468 6.013 0.275) 6.947 12.893 ( -1.588 2.662 6.833) 7.504 12.971 ( -0.371 2.706 -1.769) 3.254 13.194 ( -1.413 -1.809 1.538) 2.763 13.269 ( -7.736 -1.065 -5.568) 9.591 13.484 ( -1.300 0.365 4.373) 4.577 13.539 ( -5.684 1.052 -0.773) 5.832 13.773 ( 2.737 5.086 3.781) 6.903 13.802 ( -0.030 3.254 1.105) 3.437 14.735 ( 6.805 -3.810 0.516) 7.816 14.785 ( 2.476 -3.786 -4.914) 6.679 15.114 ( 4.405 -18.090 -0.882) 18.639 15.138 ( 5.207 -17.839 -3.193) 18.856 15.283 ( -9.327 -20.003 1.647) 22.132 15.323 ( -9.595 -20.401 -2.378) 22.670 17.584 ( 2.188 -11.100 -1.280) 11.385 17.598 ( 0.936 -11.369 -2.630) 11.707 18.412 ( 0.156 -15.400 2.843) 15.661 18.426 ( -1.447 -17.695 1.492) 17.817 18.573 ( 14.114 -13.495 2.569) 19.696 18.634 ( 10.291 -17.634 -3.595) 20.731 18.868 ( -11.662 -17.711 1.755) 21.278 18.890 ( -13.533 -15.083 -0.405) 20.268 ======================= Grid point 195 (70/81) ======================= q-point: ( 0.00 0.31 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 0.000 18.620 3.679) 18.979 3.880 ( 0.000 17.071 -4.576) 17.674 4.416 ( 0.000 10.522 9.218) 13.989 4.546 ( 0.000 3.465 0.949) 3.593 4.549 ( 0.000 5.662 2.452) 6.170 4.584 ( 0.000 3.931 -7.304) 8.295 4.815 ( 0.000 2.724 -1.429) 3.076 4.857 ( 0.000 11.628 -6.615) 13.378 5.345 ( 0.000 23.381 0.038) 23.381 5.359 ( 0.000 21.981 -1.781) 22.053 5.683 ( 0.000 11.386 4.827) 12.367 5.851 ( 0.000 10.709 -11.263) 15.541 6.158 ( 0.000 6.445 6.924) 9.459 6.224 ( 0.000 2.305 7.474) 7.821 6.321 ( 0.000 5.868 3.541) 6.854 6.579 ( 0.000 -1.131 -16.416) 16.455 6.816 ( 0.000 3.344 7.563) 8.270 6.930 ( 0.000 2.104 -3.515) 4.097 6.995 ( 0.000 10.248 9.274) 13.821 7.079 ( 0.000 12.229 -0.648) 12.246 7.352 ( 0.000 10.791 6.860) 12.787 7.408 ( 0.000 16.118 1.018) 16.150 7.442 ( 0.000 18.480 -1.828) 18.570 7.496 ( 0.000 2.381 -7.101) 7.490 7.736 ( 0.000 8.503 18.439) 20.305 8.069 ( 0.000 5.252 -11.366) 12.520 8.092 ( 0.000 7.112 -1.096) 7.196 8.120 ( 0.000 -0.673 -9.634) 9.657 8.463 ( 0.000 9.781 10.141) 14.090 8.605 ( 0.000 0.790 -5.479) 5.535 8.702 ( 0.000 16.957 0.299) 16.960 8.741 ( 0.000 14.155 -3.470) 14.575 8.947 ( 0.000 20.901 1.398) 20.948 8.967 ( 0.000 16.594 -0.858) 16.616 9.157 ( 0.000 17.701 2.070) 17.821 9.227 ( 0.000 15.748 -5.200) 16.584 9.572 ( 0.000 18.137 5.678) 19.004 9.649 ( 0.000 24.585 -2.727) 24.736 9.689 ( 0.000 -4.920 2.559) 5.546 9.768 ( 0.000 4.934 -5.883) 7.678 10.170 ( 0.000 -13.214 2.593) 13.466 10.206 ( 0.000 -4.914 -0.366) 4.928 10.310 ( 0.000 20.173 -1.241) 20.211 10.323 ( 0.000 8.440 -2.788) 8.888 10.794 ( 0.000 17.732 6.936) 19.040 10.897 ( 0.000 12.673 -3.794) 13.229 10.928 ( 0.000 10.735 2.481) 11.018 10.950 ( 0.000 10.664 -0.304) 10.668 11.135 ( 0.000 1.707 4.368) 4.690 11.175 ( 0.000 -6.181 8.836) 10.783 11.224 ( 0.000 -2.378 -5.695) 6.171 11.384 ( 0.000 -5.296 -13.719) 14.706 11.565 ( 0.000 5.343 5.395) 7.593 11.658 ( 0.000 2.980 -5.853) 6.568 11.917 ( 0.000 14.100 0.605) 14.113 11.990 ( 0.000 14.799 -6.657) 16.228 12.305 ( 0.000 19.941 5.602) 20.713 12.358 ( 0.000 18.039 -0.268) 18.041 12.728 ( 0.000 6.314 -1.534) 6.498 12.734 ( 0.000 7.027 -1.327) 7.151 12.789 ( 0.000 7.250 5.701) 9.223 12.873 ( 0.000 4.203 -1.942) 4.629 13.108 ( 0.000 10.472 5.729) 11.937 13.190 ( 0.000 10.144 -2.312) 10.404 13.327 ( 0.000 2.057 19.503) 19.611 13.578 ( 0.000 1.913 -6.489) 6.765 13.656 ( 0.000 3.987 3.674) 5.421 13.718 ( 0.000 6.958 -3.769) 7.913 13.747 ( 0.000 1.689 6.300) 6.522 13.856 ( 0.000 2.867 -4.329) 5.192 14.235 ( 0.000 -12.299 2.334) 12.519 14.316 ( 0.000 -16.381 -6.800) 17.736 14.807 ( 0.000 -11.067 -0.540) 11.080 14.878 ( 0.000 -8.277 -7.340) 11.063 15.111 ( 0.000 -20.705 1.547) 20.763 15.133 ( 0.000 -20.513 -1.210) 20.549 17.332 ( 0.000 -7.596 2.065) 7.872 17.414 ( 0.000 -5.835 -6.787) 8.951 17.923 ( 0.000 -14.077 5.619) 15.156 18.023 ( 0.000 -18.473 -4.875) 19.105 18.082 ( 0.000 -16.311 3.629) 16.710 18.150 ( 0.000 -16.128 -3.587) 16.522 18.784 ( 0.000 -17.397 6.894) 18.713 18.873 ( 0.000 -18.090 -2.732) 18.295 ======================= Grid point 196 (71/81) ======================= q-point: ( 0.20 0.31 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 5.355 17.401 2.753) 18.414 3.922 ( 3.810 15.594 -3.697) 16.473 4.362 ( -5.381 10.645 6.427) 13.549 4.473 ( -7.175 4.468 -4.472) 9.563 4.519 ( 0.313 6.107 5.659) 8.332 4.635 ( 4.905 5.537 -5.129) 9.001 4.855 ( 1.182 5.186 -0.572) 5.349 4.911 ( 4.822 4.704 -5.620) 8.773 5.341 ( -0.248 23.644 0.310) 23.647 5.352 ( -0.330 20.601 -0.971) 20.626 5.756 ( 5.267 10.349 6.313) 13.217 5.917 ( 1.122 8.218 -9.696) 12.760 6.013 ( -7.208 9.190 8.669) 14.546 6.200 ( -3.415 5.954 -9.352) 11.600 6.315 ( 0.069 3.757 12.017) 12.591 6.571 ( -0.428 0.791 -13.391) 13.421 6.828 ( -0.029 1.641 4.720) 4.998 6.891 ( -1.300 3.130 -0.297) 3.402 6.985 ( 1.272 10.077 7.514) 12.634 7.099 ( 0.635 13.132 -3.360) 13.570 7.321 ( -1.979 16.084 7.858) 18.010 7.405 ( 1.811 8.979 3.572) 9.831 7.433 ( 0.810 12.505 4.350) 13.265 7.622 ( 5.290 8.747 -7.339) 12.584 7.777 ( 2.600 11.466 10.739) 15.924 7.943 ( -9.715 5.858 -5.602) 12.652 8.085 ( -6.278 7.390 -2.713) 10.069 8.095 ( -1.204 8.060 -3.317) 8.798 8.422 ( -2.973 -1.134 1.375) 3.467 8.491 ( -0.990 -3.112 -5.512) 6.407 8.674 ( -2.173 21.841 4.164) 22.340 8.818 ( 4.545 17.371 -8.959) 20.067 9.017 ( 4.935 22.750 1.249) 23.312 9.026 ( 3.704 16.051 -0.006) 16.473 9.211 ( 3.731 13.387 2.069) 14.051 9.257 ( 1.515 16.061 -3.136) 16.434 9.578 ( 2.198 18.652 4.349) 19.278 9.660 ( 1.160 23.025 -4.826) 23.554 9.822 ( 9.955 1.721 3.622) 10.733 9.893 ( 9.720 7.347 -4.240) 12.901 10.078 ( -4.271 -3.940 3.015) 6.546 10.140 ( -4.748 -5.071 -3.540) 7.797 10.376 ( 5.622 10.811 2.058) 12.358 10.413 ( 4.364 7.963 -1.957) 9.289 10.730 ( -7.785 10.887 4.594) 14.150 10.769 ( -10.835 2.305 1.539) 11.184 10.809 ( -5.790 16.109 0.085) 17.118 10.847 ( -4.947 14.154 -2.136) 15.144 11.159 ( -0.639 -2.645 3.943) 4.791 11.177 ( 1.278 2.112 5.055) 5.626 11.290 ( 2.088 -3.208 -2.901) 4.803 11.403 ( 0.416 -0.832 -11.784) 11.821 11.601 ( 2.440 5.173 3.883) 6.914 11.669 ( 0.725 1.898 -4.195) 4.661 11.957 ( 3.778 13.159 0.650) 13.706 12.034 ( 3.837 11.624 -7.003) 14.103 12.322 ( 1.229 16.904 6.329) 18.092 12.399 ( 3.033 15.999 -1.075) 16.320 12.640 ( -6.748 7.391 0.447) 10.018 12.683 ( -2.913 5.801 -3.221) 7.247 12.813 ( 2.464 4.005 8.164) 9.421 12.918 ( 3.678 4.124 -2.740) 6.168 13.076 ( -3.567 9.144 6.495) 11.769 13.145 ( -3.933 12.152 -0.312) 12.776 13.274 ( -3.367 4.111 11.878) 13.012 13.470 ( -6.711 4.107 -8.191) 11.358 13.592 ( -5.521 1.109 7.656) 9.504 13.712 ( -4.648 3.284 -1.958) 6.018 13.799 ( 4.759 3.430 2.203) 6.267 13.848 ( 1.261 5.477 -0.669) 5.660 14.364 ( 10.121 -11.356 1.706) 15.307 14.431 ( 9.352 -14.505 -5.972) 18.262 14.804 ( -0.261 -11.070 -1.109) 11.129 14.865 ( -1.173 -8.977 -6.940) 11.407 15.051 ( -5.395 -19.308 1.291) 20.089 15.077 ( -4.995 -19.653 -1.581) 20.340 17.346 ( 1.195 -8.486 1.021) 8.630 17.402 ( -0.776 -7.231 -4.862) 8.748 18.001 ( 4.722 -17.106 2.739) 17.956 18.044 ( -0.044 -21.222 -0.582) 21.230 18.119 ( 5.426 -12.407 1.452) 13.619 18.171 ( 3.658 -13.890 -3.194) 14.715 18.721 ( -5.780 -16.558 6.346) 18.651 18.801 ( -6.502 -16.852 -2.435) 18.226 ======================= Grid point 197 (72/81) ======================= q-point: ( 0.40 0.31 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 8.587 14.255 0.440) 16.647 4.043 ( 7.933 12.203 -1.969) 14.688 4.202 ( -8.466 11.241 2.280) 14.256 4.264 ( -11.203 8.170 -3.688) 14.348 4.615 ( 7.389 5.950 9.492) 13.420 4.737 ( -0.358 3.489 3.545) 4.987 4.879 ( 4.143 3.939 -6.977) 9.020 4.968 ( -0.834 2.553 -9.663) 10.030 5.344 ( 0.710 23.794 0.972) 23.824 5.355 ( 0.304 22.704 0.183) 22.707 5.715 ( -5.202 9.752 1.928) 11.219 5.765 ( -9.369 7.965 -3.942) 12.914 6.063 ( 9.215 6.129 10.994) 15.600 6.231 ( -3.722 -1.427 7.436) 8.437 6.335 ( 7.777 11.037 -9.185) 16.329 6.511 ( -6.146 3.600 -13.754) 15.489 6.822 ( 1.959 8.718 6.749) 11.198 6.891 ( -2.518 9.402 -1.206) 9.808 7.075 ( 6.777 3.153 3.697) 8.339 7.127 ( 2.075 3.034 -0.339) 3.691 7.339 ( 3.154 11.492 8.085) 14.401 7.425 ( 1.384 20.595 -1.520) 20.697 7.452 ( -1.767 5.140 8.907) 10.434 7.583 ( -7.946 15.337 -3.304) 17.586 7.746 ( -3.122 14.812 3.295) 15.492 7.821 ( -5.623 10.784 -0.426) 12.169 7.945 ( 2.874 3.509 4.940) 6.706 8.048 ( -4.015 7.867 -3.097) 9.359 8.420 ( 1.647 5.864 -4.068) 7.324 8.467 ( -2.318 5.746 -8.491) 10.511 8.744 ( 7.062 5.742 1.486) 9.222 8.855 ( -1.838 5.776 -9.386) 11.173 9.117 ( 5.458 20.805 1.891) 21.592 9.135 ( 5.446 25.706 0.007) 26.277 9.226 ( -3.444 14.712 0.785) 15.130 9.235 ( -3.269 20.545 -0.072) 20.803 9.662 ( 4.602 23.129 1.768) 23.648 9.705 ( 1.690 23.929 -2.303) 24.099 9.942 ( -0.432 9.093 0.814) 9.140 9.974 ( -2.504 9.485 -2.197) 10.052 10.151 ( 8.343 -9.117 1.284) 12.425 10.171 ( 9.715 -2.957 -1.378) 10.247 10.422 ( -3.727 6.656 3.809) 8.527 10.470 ( -3.825 5.890 -1.681) 7.222 10.550 ( -0.986 5.195 6.121) 8.089 10.603 ( -3.519 1.561 1.135) 4.014 10.726 ( -2.243 17.738 -2.187) 18.012 10.744 ( -3.794 15.212 -3.059) 15.974 11.157 ( 0.737 -0.034 5.162) 5.214 11.183 ( -0.876 2.148 5.843) 6.287 11.304 ( 0.997 -1.923 -6.253) 6.618 11.362 ( -3.546 1.009 -9.454) 10.148 11.641 ( 1.472 2.451 1.425) 3.195 11.671 ( -0.912 1.377 -2.008) 2.600 12.036 ( 2.732 10.264 -0.538) 10.635 12.080 ( -0.892 8.847 -4.863) 10.135 12.396 ( 6.413 11.046 4.617) 13.581 12.468 ( 3.758 12.351 -1.717) 13.024 12.540 ( -2.616 5.506 3.745) 7.155 12.615 ( -4.766 7.248 -3.575) 9.382 12.867 ( 1.723 3.619 9.571) 10.377 12.923 ( -4.491 2.904 7.140) 8.921 13.045 ( 3.654 8.784 0.226) 9.516 13.093 ( -0.698 9.831 -2.156) 10.088 13.223 ( 0.000 6.889 3.955) 7.944 13.327 ( -7.464 7.426 -5.011) 11.660 13.501 ( -0.299 1.365 4.003) 4.240 13.581 ( -6.312 2.941 -2.679) 7.462 13.877 ( 2.229 4.276 3.766) 6.118 13.887 ( 1.248 5.883 2.920) 6.685 14.597 ( 10.381 -10.095 0.530) 14.490 14.642 ( 8.435 -10.723 -5.015) 14.536 14.794 ( -0.926 -12.718 -0.991) 12.790 14.830 ( -2.592 -13.093 -4.468) 14.075 14.911 ( -5.547 -16.174 -0.387) 17.103 14.943 ( -6.497 -17.163 -3.185) 18.626 17.373 ( 1.143 -9.562 -0.806) 9.663 17.390 ( -0.481 -9.107 -2.542) 9.467 18.031 ( -0.405 -20.034 0.652) 20.049 18.033 ( -0.410 -19.749 0.204) 19.754 18.309 ( 10.215 -13.999 1.421) 17.388 18.338 ( 10.154 -13.494 -1.621) 16.965 18.556 ( -8.583 -13.889 4.845) 17.031 18.612 ( -10.518 -13.584 -1.277) 17.227 ======================= Grid point 200 (73/81) ======================= q-point: ( 0.00 0.38 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( 0.000 13.857 2.066) 14.011 4.175 ( 0.000 12.451 -3.059) 12.822 4.549 ( 0.000 4.014 4.035) 5.692 4.586 ( 0.000 0.556 2.198) 2.267 4.630 ( 0.000 1.660 -3.833) 4.177 4.641 ( 0.000 3.156 -2.246) 3.874 4.836 ( 0.000 0.141 5.028) 5.030 4.969 ( 0.000 1.132 -9.153) 9.223 5.841 ( 0.000 21.800 3.736) 22.118 5.867 ( 0.000 25.860 1.059) 25.881 5.935 ( 0.000 14.984 2.038) 15.122 6.043 ( 0.000 7.072 -7.914) 10.613 6.282 ( 0.000 6.231 10.077) 11.848 6.284 ( 0.000 6.619 5.047) 8.324 6.421 ( 0.000 1.041 -4.208) 4.335 6.560 ( 0.000 -0.881 -13.358) 13.387 6.884 ( 0.000 5.775 5.044) 7.668 6.934 ( 0.000 -1.875 1.763) 2.574 7.030 ( 0.000 -3.033 8.503) 9.028 7.096 ( 0.000 -4.946 -0.620) 4.984 7.458 ( 0.000 0.439 -2.655) 2.691 7.481 ( 0.000 -1.190 -4.572) 4.724 7.626 ( 0.000 4.291 5.951) 7.337 7.722 ( 0.000 7.481 -4.644) 8.805 7.949 ( 0.000 10.267 9.588) 14.048 8.155 ( 0.000 2.070 -11.113) 11.304 8.185 ( 0.000 6.768 1.717) 6.982 8.260 ( 0.000 8.715 -5.030) 10.063 8.504 ( 0.000 -6.451 1.892) 6.722 8.516 ( 0.000 -0.255 0.970) 1.003 8.607 ( 0.000 -10.210 4.671) 11.228 8.696 ( 0.000 -8.703 -4.569) 9.829 9.202 ( 0.000 0.178 5.618) 5.621 9.305 ( 0.000 -0.147 -5.527) 5.529 9.547 ( 0.000 10.981 3.753) 11.605 9.579 ( 0.000 14.209 -1.585) 14.297 9.660 ( 0.000 4.084 4.799) 6.301 9.746 ( 0.000 10.022 -3.266) 10.541 9.904 ( 0.000 -4.232 3.863) 5.729 9.965 ( 0.000 -2.802 -2.736) 3.916 10.215 ( 0.000 24.824 -1.850) 24.893 10.268 ( 0.000 28.051 -7.538) 29.046 10.661 ( 0.000 15.825 2.229) 15.981 10.679 ( 0.000 15.231 -0.078) 15.232 10.960 ( 0.000 3.484 2.142) 4.090 10.989 ( 0.000 -2.758 0.965) 2.922 11.046 ( 0.000 12.202 0.267) 12.205 11.117 ( 0.000 -0.675 9.021) 9.046 11.139 ( 0.000 1.290 -7.274) 7.388 11.288 ( 0.000 -3.648 -9.271) 9.963 11.381 ( 0.000 14.900 1.655) 14.992 11.397 ( 0.000 16.537 0.923) 16.563 11.668 ( 0.000 5.068 0.489) 5.091 11.712 ( 0.000 2.234 -4.949) 5.430 12.229 ( 0.000 17.053 4.282) 17.583 12.288 ( 0.000 14.884 -1.615) 14.972 12.686 ( 0.000 11.340 7.518) 13.606 12.698 ( 0.000 13.865 5.170) 14.797 12.788 ( 0.000 2.238 1.671) 2.793 12.821 ( 0.000 8.800 -4.871) 10.058 12.914 ( 0.000 -0.045 -1.572) 1.573 12.934 ( 0.000 3.613 -6.094) 7.084 13.287 ( 0.000 6.169 8.275) 10.321 13.312 ( 0.000 1.642 16.092) 16.175 13.507 ( 0.000 13.590 -0.368) 13.595 13.675 ( 0.000 7.640 -7.042) 10.390 13.754 ( 0.000 5.904 3.137) 6.686 13.802 ( 0.000 3.008 7.106) 7.717 13.805 ( 0.000 1.678 -4.167) 4.492 13.960 ( 0.000 4.974 -6.561) 8.233 14.030 ( 0.000 -5.907 -0.854) 5.968 14.039 ( 0.000 -6.797 -2.666) 7.301 14.595 ( 0.000 -10.037 2.922) 10.454 14.725 ( 0.000 -8.084 -8.600) 11.803 14.783 ( 0.000 -11.890 -0.694) 11.910 14.790 ( 0.000 -12.590 -2.137) 12.770 17.201 ( 0.000 -4.739 4.186) 6.323 17.307 ( 0.000 -4.412 -7.313) 8.541 17.645 ( 0.000 -13.347 0.047) 13.347 17.653 ( 0.000 -16.763 -0.564) 16.773 17.823 ( 0.000 -10.774 2.033) 10.964 17.866 ( 0.000 -12.050 -2.747) 12.359 18.443 ( 0.000 -16.840 5.943) 17.858 18.505 ( 0.000 -18.584 -0.901) 18.605 ======================= Grid point 201 (74/81) ======================= q-point: ( 0.20 0.38 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.162 ( 3.058 12.615 0.996) 13.019 4.191 ( 1.716 11.413 -2.136) 11.737 4.488 ( -4.269 3.079 1.684) 5.526 4.539 ( -5.084 2.344 -3.213) 6.455 4.631 ( 2.000 4.420 5.162) 7.085 4.702 ( 3.450 2.227 -0.708) 4.167 4.867 ( 1.819 -1.795 0.588) 2.622 4.954 ( -0.776 -0.114 -8.155) 8.193 5.764 ( -3.453 16.848 4.024) 17.662 5.813 ( -2.542 19.970 -0.492) 20.138 6.041 ( 6.494 16.647 3.577) 18.224 6.110 ( 1.851 11.847 -4.347) 12.754 6.180 ( -7.796 9.219 3.853) 12.673 6.259 ( -4.853 3.076 -1.302) 5.891 6.443 ( 4.229 5.369 2.339) 7.224 6.593 ( 2.408 1.008 -10.351) 10.676 6.870 ( -0.065 2.778 3.699) 4.627 6.903 ( 0.415 -2.161 2.893) 3.635 7.070 ( 2.710 2.916 6.220) 7.384 7.137 ( 2.699 -3.649 0.870) 4.621 7.434 ( -2.469 0.883 6.806) 7.294 7.554 ( -2.071 3.686 4.401) 6.103 7.582 ( 5.018 -2.554 -4.691) 7.329 7.718 ( -1.320 4.278 -11.125) 11.992 8.034 ( 4.472 10.666 6.716) 13.374 8.127 ( -2.540 8.487 -1.266) 8.949 8.185 ( -5.354 4.524 0.419) 7.022 8.236 ( 0.132 4.362 -2.359) 4.961 8.382 ( -0.221 -0.340 -3.318) 3.343 8.425 ( -3.907 -0.703 -4.941) 6.339 8.689 ( -0.503 -7.870 2.715) 8.340 8.757 ( 3.570 -9.524 -3.298) 10.693 9.238 ( 3.759 -0.114 8.855) 9.620 9.375 ( 4.137 0.985 -4.733) 6.363 9.535 ( -0.583 7.718 4.547) 8.977 9.603 ( 1.488 15.150 -4.154) 15.779 9.719 ( 5.791 3.088 3.283) 7.338 9.777 ( 3.934 1.498 -1.953) 4.641 9.962 ( 5.069 2.143 3.499) 6.521 10.025 ( 4.457 1.381 -2.970) 5.531 10.277 ( 5.002 24.596 -2.382) 25.212 10.305 ( 2.740 26.246 -5.406) 26.937 10.656 ( -0.187 12.983 2.736) 13.270 10.691 ( 1.244 13.807 -1.049) 13.902 10.812 ( -10.827 7.825 4.814) 14.200 10.896 ( -10.317 9.054 -4.263) 14.373 11.013 ( -0.999 2.804 3.790) 4.819 11.116 ( -1.938 2.046 -4.774) 5.544 11.126 ( 0.017 2.097 5.667) 6.043 11.252 ( -1.766 1.556 -6.550) 6.960 11.337 ( -2.568 9.049 3.559) 10.057 11.401 ( -0.399 1.891 -3.954) 4.401 11.726 ( 0.260 5.245 -1.183) 5.383 11.739 ( 4.162 8.289 -1.820) 9.452 12.245 ( 1.121 16.027 4.837) 16.778 12.328 ( 2.406 15.591 -3.199) 16.096 12.591 ( -5.954 7.496 6.406) 11.519 12.690 ( -4.636 10.640 -1.827) 11.750 12.725 ( -3.640 3.566 3.030) 5.929 12.810 ( 0.006 8.579 -2.442) 8.920 12.882 ( -0.043 2.618 1.829) 3.194 12.947 ( 2.779 -0.153 -3.048) 4.127 13.219 ( -3.616 5.255 14.780) 16.098 13.409 ( -0.869 9.031 -2.421) 9.390 13.446 ( -0.462 10.856 8.794) 13.979 13.596 ( -5.283 6.781 -2.548) 8.965 13.651 ( -5.293 9.106 0.929) 10.573 13.780 ( -4.623 2.967 -7.848) 9.579 13.859 ( 5.173 3.816 6.969) 9.481 13.990 ( 1.915 7.622 -4.147) 8.886 14.157 ( 9.778 -7.831 0.288) 12.531 14.181 ( 10.867 -8.748 -2.091) 14.107 14.592 ( -0.164 -10.343 0.919) 10.385 14.693 ( -3.028 -9.346 -6.554) 11.810 14.744 ( -3.494 -10.804 -2.772) 11.689 14.749 ( -3.767 -12.246 -1.932) 12.957 17.205 ( 0.462 -4.962 2.826) 5.729 17.280 ( -1.843 -4.570 -5.220) 7.178 17.659 ( 0.265 -16.788 -0.005) 16.790 17.672 ( 1.145 -15.061 -1.718) 15.201 17.886 ( 5.772 -10.754 1.922) 12.356 17.920 ( 5.420 -11.231 -1.833) 12.604 18.396 ( -4.225 -16.025 5.809) 17.561 18.457 ( -4.382 -17.482 -0.938) 18.047 ======================= Grid point 202 (75/81) ======================= q-point: ( 0.40 0.38 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.250 ( 5.014 8.659 -0.219) 10.008 4.264 ( 5.325 10.040 -1.673) 11.487 4.372 ( -6.120 5.801 0.371) 8.440 4.404 ( -7.187 5.986 -2.633) 9.717 4.695 ( 3.931 2.513 7.429) 8.773 4.757 ( -0.324 -0.343 4.826) 4.849 4.897 ( 2.322 -1.515 -6.992) 7.522 4.945 ( -1.008 -2.999 -8.788) 9.340 5.753 ( 3.201 15.335 5.231) 16.516 5.816 ( 2.425 18.917 -0.312) 19.075 5.941 ( -9.624 10.629 2.249) 14.514 5.991 ( -9.051 13.898 -2.348) 16.751 6.187 ( 5.448 9.379 4.306) 11.670 6.251 ( -0.034 5.398 -0.500) 5.421 6.539 ( 3.993 7.262 -2.175) 8.568 6.606 ( -1.780 3.919 -7.465) 8.617 6.913 ( 5.990 2.051 8.007) 10.208 7.014 ( 3.494 4.635 -3.624) 6.843 7.099 ( 0.817 0.229 6.564) 6.619 7.164 ( -0.385 2.100 -0.364) 2.165 7.388 ( 0.516 -0.618 15.766) 15.787 7.477 ( -5.854 -3.033 9.382) 11.467 7.661 ( 1.614 1.269 -8.644) 8.885 7.691 ( -1.009 -1.797 -15.099) 15.239 8.031 ( -1.824 11.842 2.072) 12.160 8.048 ( -3.245 11.515 1.490) 12.056 8.133 ( 2.432 11.751 1.364) 12.078 8.208 ( -4.033 8.043 -5.511) 10.551 8.433 ( 4.886 -2.534 -1.508) 5.707 8.480 ( 2.830 -0.324 -4.545) 5.364 8.664 ( 0.529 -8.315 1.416) 8.452 8.743 ( -4.073 -8.827 -6.063) 11.457 9.335 ( 4.266 1.290 9.008) 10.050 9.400 ( -1.605 4.275 4.015) 6.080 9.552 ( 1.966 2.798 -1.247) 3.640 9.596 ( -1.797 7.748 -4.986) 9.388 9.896 ( 9.703 4.407 3.084) 11.094 9.956 ( 11.035 -0.746 -2.638) 11.370 10.040 ( -1.259 8.316 2.241) 8.704 10.093 ( 0.517 6.319 -2.799) 6.931 10.338 ( 0.268 21.174 -0.516) 21.182 10.356 ( -0.186 19.683 -2.838) 19.887 10.585 ( -3.480 12.308 4.046) 13.415 10.653 ( -7.604 12.876 -2.905) 15.233 10.723 ( 2.221 9.806 1.122) 10.117 10.742 ( 1.675 10.501 -0.816) 10.665 10.982 ( -1.726 5.207 0.732) 5.534 11.010 ( -5.006 6.336 -1.661) 8.245 11.181 ( 2.584 2.055 4.410) 5.509 11.221 ( -1.311 1.403 2.755) 3.358 11.300 ( 0.380 1.893 -3.717) 4.189 11.361 ( -3.319 -2.007 -6.771) 7.804 11.731 ( 1.348 8.197 2.368) 8.638 11.777 ( -1.220 10.507 -2.255) 10.815 12.240 ( -0.355 10.037 2.485) 10.346 12.298 ( -4.828 10.982 -3.014) 12.370 12.567 ( 3.481 7.417 4.063) 9.145 12.619 ( 0.555 4.260 0.117) 4.297 12.709 ( 0.496 10.128 2.403) 10.421 12.781 ( -3.583 8.586 -4.348) 10.270 12.914 ( 2.397 1.898 6.250) 6.958 12.973 ( -1.819 1.641 0.393) 2.481 13.188 ( 2.648 5.603 9.117) 11.024 13.293 ( -5.720 6.776 -0.480) 8.881 13.460 ( -0.051 13.166 5.708) 14.350 13.512 ( -4.201 8.641 6.452) 11.574 13.593 ( 1.585 11.319 -7.331) 13.579 13.667 ( -4.954 6.193 -7.508) 10.921 13.966 ( 4.090 4.925 5.548) 8.471 14.014 ( -0.294 7.022 1.699) 7.230 14.381 ( 10.389 -9.726 1.016) 14.267 14.419 ( 10.492 -9.994 -2.913) 14.780 14.578 ( -6.142 -9.711 -0.522) 11.503 14.593 ( -3.271 -9.930 -3.703) 11.091 14.642 ( -4.054 -12.172 -3.045) 13.186 14.666 ( -3.179 -10.097 -6.628) 12.490 17.221 ( 1.027 -5.175 0.315) 5.285 17.246 ( -1.288 -4.956 -2.319) 5.621 17.663 ( 0.240 -16.184 -0.481) 16.193 17.673 ( -0.599 -15.833 -1.756) 15.941 18.038 ( 7.333 -12.552 2.192) 14.701 18.071 ( 6.449 -12.775 -1.430) 14.382 18.284 ( -4.766 -13.730 4.879) 15.331 18.330 ( -6.823 -14.652 -0.294) 16.165 ======================= Grid point 205 (76/81) ======================= q-point: ( 0.00 0.44 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( 0.000 9.919 1.189) 9.991 4.379 ( 0.000 8.075 -0.084) 8.075 4.571 ( 0.000 -1.950 2.858) 3.460 4.592 ( 0.000 -0.137 0.269) 0.301 4.659 ( 0.000 1.152 -2.854) 3.078 4.671 ( 0.000 0.242 -3.917) 3.924 4.846 ( 0.000 1.367 4.265) 4.479 4.949 ( 0.000 -2.430 -6.720) 7.146 6.098 ( 0.000 8.206 3.349) 8.863 6.151 ( 0.000 5.253 -0.644) 5.293 6.260 ( 0.000 11.286 2.065) 11.473 6.281 ( 0.000 11.810 0.717) 11.832 6.365 ( 0.000 -3.849 1.729) 4.220 6.408 ( 0.000 -0.046 -2.745) 2.746 6.484 ( 0.000 13.280 5.112) 14.230 6.604 ( 0.000 11.273 -4.918) 12.299 6.807 ( 0.000 -7.356 4.689) 8.723 6.873 ( 0.000 -4.811 -1.325) 4.990 7.051 ( 0.000 -3.151 0.809) 3.253 7.083 ( 0.000 1.978 -3.258) 3.811 7.481 ( 0.000 6.815 -0.903) 6.874 7.501 ( 0.000 4.752 -2.810) 5.521 7.649 ( 0.000 1.041 5.144) 5.248 7.735 ( 0.000 -4.157 -3.453) 5.404 8.077 ( 0.000 0.047 3.504) 3.504 8.121 ( 0.000 -6.962 -1.896) 7.216 8.320 ( 0.000 4.934 1.689) 5.215 8.331 ( 0.000 -3.820 1.072) 3.968 8.416 ( 0.000 -1.473 1.746) 2.285 8.455 ( 0.000 -3.343 0.373) 3.363 8.485 ( 0.000 -0.525 -5.828) 5.851 8.486 ( 0.000 -9.293 -2.452) 9.611 9.165 ( 0.000 -1.687 3.614) 3.988 9.230 ( 0.000 -5.465 -3.580) 6.533 9.675 ( 0.000 4.873 4.356) 6.536 9.710 ( 0.000 3.801 0.808) 3.886 9.770 ( 0.000 5.603 0.022) 5.603 9.779 ( 0.000 1.652 -0.411) 1.703 9.923 ( 0.000 -2.727 -0.456) 2.765 9.932 ( 0.000 -0.377 -2.076) 2.109 10.729 ( 0.000 17.351 -3.271) 17.656 10.732 ( 0.000 13.401 -2.967) 13.725 10.841 ( 0.000 3.242 3.267) 4.602 10.871 ( 0.000 2.742 0.009) 2.742 11.002 ( 0.000 8.037 2.372) 8.379 11.046 ( 0.000 6.495 -2.320) 6.896 11.142 ( 0.000 3.329 5.572) 6.490 11.215 ( 0.000 1.113 -0.773) 1.355 11.294 ( 0.000 10.459 -2.699) 10.801 11.298 ( 0.000 7.944 -3.486) 8.675 11.559 ( 0.000 2.758 2.509) 3.728 11.576 ( 0.000 2.466 0.587) 2.535 11.759 ( 0.000 2.849 -3.298) 4.358 11.776 ( 0.000 4.530 -4.291) 6.239 12.534 ( 0.000 11.506 4.789) 12.463 12.548 ( 0.000 10.315 2.834) 10.697 12.709 ( 0.000 -1.422 5.742) 5.915 12.780 ( 0.000 0.401 -0.654) 0.767 12.882 ( 0.000 -2.400 -0.062) 2.400 12.892 ( 0.000 -1.769 -1.083) 2.074 12.956 ( 0.000 3.279 4.016) 5.185 13.082 ( 0.000 6.753 -7.966) 10.444 13.305 ( 0.000 0.296 17.998) 18.000 13.349 ( 0.000 1.112 9.052) 9.120 13.747 ( 0.000 9.992 -9.727) 13.944 13.794 ( 0.000 3.075 -9.594) 10.075 13.829 ( 0.000 3.915 2.561) 4.678 13.855 ( 0.000 6.434 -0.296) 6.441 13.912 ( 0.000 4.974 6.945) 8.542 14.026 ( 0.000 5.366 -1.307) 5.523 14.027 ( 0.000 3.975 -1.314) 4.187 14.068 ( 0.000 -0.002 -10.499) 10.499 14.434 ( 0.000 -4.932 8.943) 10.213 14.544 ( 0.000 -7.912 0.459) 7.925 14.628 ( 0.000 -4.129 -3.885) 5.670 14.648 ( 0.000 -4.014 -8.657) 9.543 17.168 ( 0.000 1.603 3.594) 3.935 17.260 ( 0.000 -0.018 -6.212) 6.212 17.381 ( 0.000 -10.168 0.289) 10.172 17.415 ( 0.000 -9.053 -3.197) 9.601 17.653 ( 0.000 -5.887 1.639) 6.111 17.674 ( 0.000 -6.948 -0.821) 6.996 18.127 ( 0.000 -13.753 4.266) 14.399 18.153 ( 0.000 -15.420 1.341) 15.479 ======================= Grid point 206 (77/81) ======================= q-point: ( 0.20 0.44 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.370 ( 0.249 8.106 0.940) 8.164 4.382 ( 0.890 7.855 -0.216) 7.908 4.517 ( -3.014 0.043 1.627) 3.425 4.557 ( -3.065 -0.733 -1.912) 3.686 4.683 ( 2.628 1.529 1.413) 3.353 4.742 ( 3.190 0.792 -3.907) 5.106 4.831 ( -0.997 -0.585 2.808) 3.037 4.922 ( -2.186 -2.637 -6.749) 7.569 6.024 ( -4.697 10.301 3.626) 11.888 6.078 ( -3.728 9.034 -2.199) 10.017 6.204 ( -1.844 3.861 5.880) 7.272 6.292 ( -3.647 -1.131 -3.901) 5.459 6.402 ( 0.682 9.253 2.250) 9.547 6.422 ( 1.325 4.778 -0.259) 4.965 6.551 ( 4.264 7.586 3.372) 9.332 6.623 ( 1.157 6.380 -1.852) 6.743 6.819 ( 3.256 0.522 5.483) 6.399 6.896 ( 4.714 -1.056 -1.667) 5.110 7.089 ( 3.019 -2.723 5.289) 6.671 7.192 ( 4.728 3.454 -6.426) 8.694 7.435 ( -1.497 1.365 2.554) 3.260 7.522 ( 2.103 0.015 -6.980) 7.290 7.576 ( -5.120 2.576 7.142) 9.158 7.730 ( -1.968 -1.699 -8.983) 9.352 8.132 ( 3.292 -2.221 2.718) 4.813 8.161 ( 2.140 -3.924 -0.529) 4.501 8.260 ( -2.286 1.981 2.031) 3.644 8.303 ( -0.856 2.730 -0.834) 2.980 8.404 ( -1.161 0.876 -2.205) 2.641 8.453 ( -1.344 1.585 -5.457) 5.839 8.519 ( 1.439 -6.784 1.442) 7.084 8.530 ( 3.485 -10.746 0.620) 11.314 9.206 ( 4.032 -1.065 5.193) 6.661 9.294 ( 5.486 -5.810 -4.126) 8.993 9.612 ( -4.595 3.141 6.195) 8.328 9.692 ( -3.832 -0.774 -1.851) 4.325 9.824 ( 6.109 5.933 -0.099) 8.517 9.829 ( 5.678 5.829 -0.456) 8.150 10.021 ( 7.967 0.187 0.325) 7.976 10.040 ( 8.517 -0.952 -1.421) 8.687 10.717 ( -1.167 12.087 -1.652) 12.255 10.727 ( -1.063 12.513 -2.707) 12.847 10.832 ( -0.267 5.966 3.417) 6.880 10.878 ( 0.778 4.003 -0.884) 4.173 10.989 ( -4.370 9.181 3.139) 10.641 11.039 ( -2.119 8.015 -1.837) 8.491 11.126 ( -1.314 3.248 3.895) 5.240 11.166 ( -7.278 8.048 -0.409) 10.859 11.223 ( -0.363 2.340 -2.204) 3.234 11.240 ( -4.012 4.720 -4.420) 7.609 11.407 ( -8.105 -1.312 0.167) 8.212 11.431 ( -8.454 -1.648 -1.900) 8.820 11.865 ( 5.564 7.817 1.107) 9.658 11.915 ( 7.757 7.230 -3.760) 11.251 12.508 ( -4.904 6.197 6.250) 10.076 12.544 ( -2.449 5.623 2.502) 6.624 12.694 ( 0.831 4.491 3.143) 5.544 12.753 ( -1.605 5.235 -3.092) 6.288 12.875 ( 0.508 -1.141 4.308) 4.486 12.901 ( -1.927 6.564 3.577) 7.720 12.912 ( 1.932 -1.507 -0.912) 2.614 13.010 ( -4.290 5.010 -5.394) 8.520 13.283 ( -2.183 1.595 14.731) 14.978 13.400 ( -0.360 -4.286 5.189) 6.740 13.665 ( -2.860 9.801 -0.996) 10.258 13.773 ( 0.097 6.408 -7.171) 9.617 13.865 ( -2.627 8.663 -2.765) 9.465 13.886 ( -0.903 10.124 -4.331) 11.048 13.950 ( 4.798 4.197 7.393) 9.762 14.077 ( 5.224 -0.019 -0.618) 5.260 14.085 ( 7.211 -1.581 -0.683) 7.414 14.122 ( 4.625 2.487 -8.326) 9.844 14.408 ( -2.011 -6.506 6.871) 9.673 14.513 ( -2.906 -7.237 0.485) 7.814 14.591 ( -3.453 -4.131 -4.377) 6.939 14.607 ( -3.663 -4.258 -8.276) 10.002 17.168 ( 0.183 1.425 2.602) 2.972 17.235 ( -1.716 0.296 -4.415) 4.746 17.388 ( 0.507 -10.209 -0.036) 10.222 17.420 ( 0.067 -9.834 -3.413) 10.410 17.710 ( 4.928 -6.129 1.768) 8.061 17.733 ( 5.144 -7.005 -0.738) 8.722 18.095 ( -2.882 -13.098 4.317) 14.089 18.125 ( -2.665 -14.654 0.994) 14.927 ======================= Grid point 207 (78/81) ======================= q-point: ( 0.40 0.44 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.392 ( 2.085 5.639 1.315) 6.154 4.420 ( 2.562 5.428 -1.464) 6.178 4.452 ( -3.105 2.523 1.399) 4.238 4.487 ( -3.409 1.946 -1.852) 4.341 4.728 ( 1.572 1.132 2.942) 3.523 4.759 ( -1.200 1.300 2.151) 2.785 4.841 ( 1.689 -3.566 -5.543) 6.804 4.877 ( -1.766 -3.581 -7.125) 8.168 5.990 ( 2.328 9.280 5.443) 11.008 6.058 ( 1.575 7.601 -1.815) 7.972 6.112 ( -6.179 5.650 4.794) 9.648 6.162 ( -6.285 4.791 -0.731) 7.937 6.440 ( 1.884 10.224 0.472) 10.407 6.450 ( 1.047 8.792 -0.709) 8.883 6.600 ( 0.880 -0.632 2.259) 2.506 6.619 ( -0.867 -0.046 1.200) 1.481 6.952 ( 7.437 4.195 7.214) 11.178 7.070 ( 8.763 -0.821 -0.957) 8.853 7.085 ( -3.092 -0.757 5.846) 6.657 7.223 ( -2.415 0.591 -5.946) 6.445 7.431 ( 0.493 3.773 5.260) 6.492 7.479 ( -3.239 7.634 6.946) 10.817 7.594 ( 3.680 -2.228 -11.488) 12.267 7.667 ( -3.301 -0.528 -12.416) 12.858 8.170 ( 2.351 0.600 -0.094) 2.428 8.191 ( 1.474 -1.736 -1.426) 2.687 8.242 ( -2.094 1.750 0.225) 2.739 8.264 ( -3.375 -2.962 -1.377) 4.697 8.416 ( 3.450 1.332 2.026) 4.217 8.481 ( 1.187 0.625 -2.270) 2.636 8.506 ( -0.028 -5.554 0.609) 5.587 8.559 ( -1.376 -7.803 -2.905) 8.440 9.330 ( 6.871 0.249 6.892) 9.735 9.421 ( 4.042 -2.231 -1.980) 5.024 9.502 ( -3.810 -1.357 5.571) 6.884 9.583 ( -5.923 -3.314 -2.155) 7.121 10.007 ( 9.983 5.496 -0.497) 11.407 10.013 ( 10.582 5.121 -1.337) 11.832 10.158 ( 0.611 3.136 0.759) 3.284 10.171 ( 0.177 2.168 -0.641) 2.267 10.680 ( -0.612 9.576 1.874) 9.777 10.703 ( -0.107 13.157 -0.103) 13.158 10.829 ( -3.384 7.917 -0.179) 8.611 10.863 ( -1.862 7.915 -0.291) 8.137 10.887 ( -3.273 5.448 -0.632) 6.387 10.914 ( 1.696 5.597 -1.058) 5.943 11.032 ( -5.922 0.067 2.800) 6.551 11.076 ( -8.374 2.046 -2.029) 8.856 11.198 ( 2.550 1.270 1.152) 3.073 11.225 ( -0.904 -0.093 -1.648) 1.882 11.302 ( -1.088 -1.884 -3.123) 3.806 11.312 ( -2.337 -1.676 -3.745) 4.722 11.975 ( 5.290 13.902 3.654) 15.317 12.037 ( 2.048 13.244 -2.785) 13.688 12.365 ( -4.211 1.680 5.124) 6.842 12.419 ( -6.970 1.065 -0.368) 7.061 12.745 ( 3.055 8.599 3.459) 9.759 12.779 ( 1.172 10.878 1.048) 10.991 12.854 ( -0.349 4.256 2.549) 4.973 12.896 ( -2.676 2.326 -0.460) 3.575 12.956 ( 4.177 2.556 1.655) 5.169 13.001 ( 1.788 2.006 -2.348) 3.569 13.223 ( -1.475 -2.052 9.747) 10.070 13.298 ( -6.797 -4.264 2.380) 8.370 13.675 ( 2.569 9.926 3.558) 10.853 13.748 ( -3.665 11.417 2.887) 12.333 13.802 ( -0.151 5.608 -8.831) 10.462 13.835 ( -2.674 9.546 -6.271) 11.731 14.083 ( 6.264 6.199 6.643) 11.036 14.167 ( -0.051 7.015 1.304) 7.135 14.241 ( 6.612 -3.875 1.235) 7.762 14.266 ( 6.973 -4.752 -1.355) 8.547 14.392 ( 1.944 -9.952 -3.977) 10.892 14.434 ( -3.167 -5.113 0.025) 6.014 14.486 ( -6.060 -3.872 -4.618) 8.546 14.502 ( -5.739 -5.593 -7.863) 11.227 17.179 ( 0.843 1.036 0.634) 1.479 17.202 ( -1.300 0.676 -1.741) 2.275 17.399 ( 0.597 -10.078 -1.185) 10.165 17.413 ( -0.603 -10.110 -2.587) 10.453 17.832 ( 5.553 -7.214 2.090) 9.340 17.855 ( 4.773 -7.902 -0.529) 9.247 18.018 ( -3.317 -11.972 3.849) 13.005 18.045 ( -4.396 -12.946 0.833) 13.697 ======================= Grid point 210 (79/81) ======================= q-point: ( 0.00 -0.50 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.498 ( 0.000 -2.417 1.978) 3.123 4.498 ( 0.000 2.417 1.978) 3.123 4.534 ( 0.000 -3.842 0.448) 3.868 4.534 ( 0.000 3.842 0.448) 3.868 4.672 ( 0.000 -0.145 -2.787) 2.791 4.672 ( 0.000 0.145 -2.787) 2.791 4.891 ( 0.000 -2.895 -2.111) 3.583 4.891 ( 0.000 2.895 -2.111) 3.583 6.233 ( 0.000 -5.757 1.811) 6.035 6.233 ( 0.000 5.757 1.811) 6.035 6.281 ( 0.000 -6.798 -1.133) 6.892 6.281 ( 0.000 6.798 -1.133) 6.892 6.402 ( 0.000 -0.886 2.517) 2.669 6.402 ( 0.000 0.886 2.517) 2.669 6.701 ( 0.000 -4.603 1.426) 4.819 6.701 ( 0.000 4.603 1.426) 4.819 6.835 ( 0.000 -0.728 0.977) 1.219 6.835 ( 0.000 0.728 0.977) 1.219 6.985 ( 0.000 -5.146 -3.172) 6.045 6.985 ( 0.000 5.146 -3.172) 6.045 7.601 ( 0.000 -3.004 1.248) 3.253 7.601 ( 0.000 3.004 1.248) 3.253 7.710 ( 0.000 -0.954 -1.653) 1.908 7.710 ( 0.000 0.954 -1.653) 1.909 7.983 ( 0.000 -0.485 -0.623) 0.790 7.983 ( 0.000 0.485 -0.623) 0.790 8.284 ( 0.000 -1.547 2.118) 2.623 8.284 ( 0.000 1.548 2.118) 2.623 8.420 ( 0.000 -0.264 1.096) 1.127 8.420 ( 0.000 0.264 1.096) 1.127 8.470 ( 0.000 -2.588 -4.367) 5.076 8.470 ( 0.000 2.588 -4.367) 5.076 9.159 ( 0.000 -1.313 0.572) 1.432 9.159 ( 0.000 1.313 0.572) 1.432 9.745 ( 0.000 -1.270 0.791) 1.497 9.745 ( 0.000 1.270 0.791) 1.497 9.839 ( 0.000 -3.021 0.714) 3.104 9.839 ( 0.000 3.021 0.714) 3.104 9.880 ( 0.000 -3.065 -0.876) 3.188 9.880 ( 0.000 3.065 -0.876) 3.188 10.841 ( 0.000 -0.396 -0.947) 1.026 10.841 ( 0.000 0.396 -0.947) 1.026 10.869 ( 0.000 -0.008 0.715) 0.715 10.869 ( 0.000 0.008 0.715) 0.715 11.175 ( 0.000 -2.431 1.167) 2.696 11.175 ( 0.000 2.431 1.167) 2.696 11.195 ( 0.000 -5.640 0.410) 5.655 11.195 ( 0.000 5.640 0.410) 5.655 11.406 ( 0.000 -0.268 -2.091) 2.108 11.406 ( 0.000 0.268 -2.091) 2.108 11.574 ( 0.000 -0.934 1.086) 1.432 11.574 ( 0.000 0.934 1.086) 1.432 11.807 ( 0.000 -1.159 -4.077) 4.238 11.807 ( 0.000 1.159 -4.077) 4.238 12.647 ( 0.000 -0.695 3.511) 3.579 12.647 ( 0.000 0.695 3.511) 3.579 12.760 ( 0.000 -6.274 2.772) 6.859 12.760 ( 0.000 6.274 2.772) 6.859 12.828 ( 0.000 -2.191 1.668) 2.754 12.828 ( 0.000 2.192 1.668) 2.754 13.043 ( 0.000 -5.208 -0.835) 5.275 13.043 ( 0.000 5.208 -0.835) 5.275 13.354 ( 0.000 -1.397 10.076) 10.173 13.354 ( 0.000 1.397 10.076) 10.173 13.856 ( 0.000 -0.857 -8.600) 8.643 13.856 ( 0.000 0.857 -8.600) 8.643 13.918 ( 0.000 -1.867 1.876) 2.647 13.918 ( 0.000 1.867 1.876) 2.647 13.986 ( 0.000 -5.829 -4.450) 7.333 13.986 ( 0.000 5.829 -4.450) 7.333 14.092 ( 0.000 -0.155 -1.428) 1.436 14.092 ( 0.000 0.155 -1.428) 1.436 14.425 ( 0.000 -3.642 6.412) 7.374 14.425 ( 0.000 3.642 6.412) 7.374 14.599 ( 0.000 -0.801 -7.060) 7.105 14.599 ( 0.000 0.801 -7.060) 7.105 17.239 ( 0.000 -4.774 1.225) 4.929 17.239 ( 0.000 4.774 1.225) 4.929 17.295 ( 0.000 -3.246 -4.668) 5.685 17.295 ( 0.000 3.246 -4.668) 5.685 17.600 ( 0.000 -0.507 1.044) 1.161 17.600 ( 0.000 0.507 1.044) 1.161 17.971 ( 0.000 -0.517 2.883) 2.929 17.971 ( 0.000 0.517 2.883) 2.929 ======================= Grid point 212 (80/81) ======================= q-point: ( 0.20 -0.50 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.484 ( -1.080 -3.320 2.076) 4.062 4.484 ( -1.080 3.320 2.076) 4.062 4.507 ( -1.489 -4.194 -0.299) 4.460 4.507 ( -1.489 4.194 -0.299) 4.460 4.718 ( 2.982 -2.051 -2.427) 4.358 4.718 ( 2.982 2.051 -2.427) 4.358 4.863 ( -2.412 -2.895 -2.342) 4.437 4.863 ( -2.412 2.895 -2.342) 4.437 6.189 ( -4.673 -4.347 0.362) 6.392 6.189 ( -4.673 4.347 0.362) 6.392 6.238 ( -2.003 -2.566 -0.645) 3.318 6.238 ( -2.003 2.566 -0.645) 3.318 6.404 ( 2.054 -2.380 4.836) 5.768 6.404 ( 2.054 2.380 4.836) 5.768 6.712 ( -1.291 -4.219 0.691) 4.466 6.712 ( -1.291 4.219 0.691) 4.466 6.902 ( 5.944 -4.418 4.754) 8.801 6.902 ( 5.944 4.418 4.754) 8.801 7.078 ( 5.944 -8.712 -4.586) 11.500 7.078 ( 5.944 8.712 -4.586) 11.500 7.534 ( -2.059 -3.060 -1.187) 3.875 7.534 ( -2.059 3.060 -1.187) 3.875 7.672 ( -2.982 -4.675 -3.146) 6.375 7.672 ( -2.982 4.675 -3.146) 6.375 8.092 ( 6.251 -1.157 0.092) 6.358 8.092 ( 6.251 1.157 0.092) 6.358 8.252 ( -2.687 -2.321 0.826) 3.645 8.252 ( -2.687 2.321 0.826) 3.645 8.418 ( -0.299 -0.402 0.802) 0.946 8.418 ( -0.299 0.402 0.802) 0.946 8.481 ( 1.261 -1.186 -2.623) 3.143 8.481 ( 1.261 1.186 -2.623) 3.143 9.215 ( 5.057 -1.987 0.789) 5.490 9.215 ( 5.057 1.987 0.789) 5.490 9.669 ( -5.436 -2.076 1.940) 6.134 9.669 ( -5.436 2.076 1.940) 6.134 9.906 ( 5.618 -0.056 -1.234) 5.752 9.906 ( 5.618 0.056 -1.234) 5.752 10.006 ( 9.979 -0.547 0.358) 10.001 10.006 ( 9.979 0.547 0.358) 10.001 10.821 ( -1.740 -0.868 -0.610) 2.038 10.821 ( -1.740 0.868 -0.610) 2.038 10.879 ( 0.885 -1.025 0.845) 1.596 10.879 ( 0.885 1.025 0.845) 1.596 11.144 ( -4.200 -3.115 4.554) 6.934 11.144 ( -4.200 3.115 4.554) 6.934 11.204 ( -0.017 -3.907 -2.074) 4.424 11.204 ( -0.017 3.907 -2.074) 4.424 11.328 ( -10.615 -6.732 -1.398) 12.647 11.328 ( -10.615 6.732 -1.398) 12.647 11.349 ( -8.030 -4.515 -3.529) 9.865 11.349 ( -8.030 4.515 -3.529) 9.865 11.976 ( 9.731 -1.787 -1.079) 9.953 11.976 ( 9.731 1.787 -1.079) 9.953 12.560 ( -7.301 -1.748 2.329) 7.860 12.560 ( -7.301 1.749 2.329) 7.860 12.805 ( 3.138 -5.298 5.241) 8.087 12.805 ( 3.138 5.298 5.241) 8.087 12.857 ( 3.352 -3.710 -0.477) 5.023 12.857 ( 3.352 3.710 -0.477) 5.023 13.009 ( -2.387 -3.853 0.378) 4.548 13.009 ( -2.387 3.853 0.378) 4.548 13.328 ( -3.454 -2.851 7.754) 8.954 13.328 ( -3.454 2.851 7.753) 8.954 13.809 ( -1.404 -3.256 -5.529) 6.568 13.809 ( -1.404 3.256 -5.529) 6.568 13.989 ( 0.833 -0.222 1.663) 1.873 13.989 ( 0.833 0.222 1.663) 1.873 14.038 ( 2.755 -5.388 -1.776) 6.306 14.038 ( 2.755 5.388 -1.776) 6.306 14.098 ( 5.377 -2.374 -5.193) 7.843 14.098 ( 5.377 2.374 -5.193) 7.843 14.397 ( -2.576 -4.245 5.965) 7.762 14.397 ( -2.576 4.245 5.965) 7.762 14.560 ( -3.631 -0.618 -7.025) 7.932 14.560 ( -3.631 0.618 -7.025) 7.932 17.241 ( 0.204 -5.194 0.613) 5.234 17.241 ( 0.204 5.194 0.613) 5.234 17.283 ( -0.927 -4.238 -3.607) 5.642 17.283 ( -0.927 4.238 -3.607) 5.642 17.657 ( 4.776 -0.633 0.941) 4.908 17.657 ( 4.776 0.633 0.941) 4.908 17.949 ( -2.101 -0.730 2.633) 3.447 17.949 ( -2.101 0.730 2.633) 3.447 ======================= Grid point 214 (81/81) ======================= q-point: ( 0.40 -0.50 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 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.470 ( 0.039 -1.436 1.428) 2.025 4.470 ( 0.039 1.436 1.428) 2.025 4.482 ( -0.894 -1.698 0.307) 1.943 4.482 ( -0.894 1.698 0.307) 1.943 4.769 ( 1.758 -3.058 -2.884) 4.556 4.769 ( 1.758 3.058 -2.884) 4.556 4.808 ( -2.299 -3.055 -2.942) 4.824 4.808 ( -2.299 3.055 -2.942) 4.824 6.129 ( 0.098 -3.135 1.195) 3.356 6.129 ( 0.098 3.135 1.195) 3.356 6.178 ( -3.450 -2.090 0.901) 4.133 6.178 ( -3.450 2.090 0.901) 4.133 6.499 ( 6.112 -1.718 4.877) 8.006 6.499 ( 6.112 1.718 4.877) 8.006 6.631 ( -5.587 -2.631 4.215) 7.477 6.631 ( -5.587 2.631 4.215) 7.477 7.039 ( 5.792 -2.061 1.967) 6.455 7.039 ( 5.792 2.061 1.967) 6.455 7.125 ( -1.729 -7.553 -4.340) 8.881 7.125 ( -1.729 7.553 -4.340) 8.881 7.574 ( 3.802 -5.118 -2.870) 6.992 7.574 ( 3.802 5.118 -2.870) 6.992 7.624 ( -1.364 -5.022 -3.880) 6.492 7.624 ( -1.364 5.022 -3.880) 6.492 8.151 ( 0.356 -1.615 -0.840) 1.855 8.151 ( 0.356 1.615 -0.840) 1.855 8.186 ( -3.022 -2.876 -0.955) 4.280 8.186 ( -3.022 2.876 -0.955) 4.280 8.451 ( 3.015 -1.797 0.386) 3.531 8.451 ( 3.015 1.797 0.386) 3.531 8.495 ( -0.577 -1.119 -0.527) 1.365 8.495 ( -0.577 1.119 -0.527) 1.365 9.359 ( 7.886 -2.538 1.633) 8.444 9.359 ( 7.886 2.538 1.633) 8.444 9.528 ( -7.582 -2.335 2.220) 8.238 9.528 ( -7.582 2.335 2.220) 8.238 10.077 ( 9.437 -0.338 -1.169) 9.515 10.077 ( 9.437 0.338 -1.169) 9.515 10.187 ( 2.848 -0.277 0.263) 2.874 10.187 ( 2.848 0.277 0.263) 2.874 10.799 ( 2.157 -2.897 0.690) 3.677 10.799 ( 2.157 2.897 0.690) 3.677 10.905 ( 0.867 -1.142 0.801) 1.642 10.905 ( 0.867 1.142 0.801) 1.642 10.973 ( -8.140 -5.287 4.513) 10.704 10.973 ( -8.140 5.287 4.513) 10.704 11.039 ( -10.015 -5.806 -2.588) 11.862 11.039 ( -10.015 5.806 -2.588) 11.862 11.254 ( 0.616 -2.167 -2.866) 3.646 11.254 ( 0.616 2.167 -2.866) 3.646 11.269 ( -1.314 -2.070 -3.546) 4.311 11.269 ( -1.314 2.070 -3.546) 4.311 12.180 ( 9.523 -3.066 0.652) 10.026 12.180 ( 9.523 3.066 0.652) 10.026 12.380 ( -9.108 -2.824 1.561) 9.663 12.380 ( -9.108 2.824 1.561) 9.663 12.860 ( 2.376 -2.230 3.426) 4.728 12.860 ( 2.376 2.230 3.426) 4.728 12.908 ( -1.473 -0.739 1.506) 2.232 12.908 ( -1.473 0.739 1.506) 2.232 13.029 ( 6.467 -3.040 1.554) 7.313 13.029 ( 6.467 3.040 1.554) 7.313 13.198 ( -8.011 -3.308 3.817) 9.470 13.198 ( -8.011 3.308 3.817) 9.470 13.823 ( 2.619 -3.558 -2.996) 5.338 13.823 ( 2.619 3.558 -2.996) 5.338 13.908 ( -4.881 -2.765 -1.253) 5.748 13.908 ( -4.881 2.765 -1.253) 5.748 14.163 ( 6.568 -2.100 3.072) 7.549 14.163 ( 6.568 2.100 3.072) 7.549 14.245 ( 3.848 -3.722 -3.195) 6.234 14.245 ( 3.848 3.722 -3.194) 6.234 14.334 ( -0.589 -5.977 1.478) 6.185 14.334 ( -0.589 5.977 1.478) 6.185 14.449 ( -6.503 -0.794 -6.685) 9.360 14.449 ( -6.503 0.794 -6.685) 9.360 17.249 ( 0.548 -5.442 -0.614) 5.504 17.249 ( 0.548 5.442 -0.614) 5.504 17.264 ( -0.795 -5.149 -1.949) 5.563 17.264 ( -0.795 5.149 -1.949) 5.563 17.774 ( 5.635 -0.872 1.292) 5.846 17.774 ( 5.635 0.872 1.292) 5.846 17.881 ( -4.207 -0.937 2.001) 4.752 17.881 ( -4.207 0.937 2.001) 4.752 =================== 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 3/33600 10.0 5049.982 4982.580 9080.440 0.000 0.000 0.000 3/33600 20.0 1854.310 2243.071 2476.830 0.000 0.000 0.000 3/33600 30.0 463.132 765.252 684.245 0.000 0.000 0.000 3/33600 40.0 174.550 333.041 260.038 0.000 0.000 0.000 3/33600 50.0 87.953 184.233 129.293 0.000 0.000 0.000 3/33600 60.0 53.036 119.891 76.842 0.000 0.000 0.000 3/33600 70.0 35.920 86.312 51.395 0.000 0.000 0.000 3/33600 80.0 26.340 66.345 37.281 0.000 0.000 0.000 3/33600 90.0 20.447 53.369 28.661 0.000 0.000 0.000 3/33600 100.0 16.554 44.387 23.002 0.000 0.000 0.000 3/33600 110.0 13.838 37.867 19.075 0.000 0.000 0.000 3/33600 120.0 11.858 32.957 16.227 0.000 0.000 0.000 3/33600 130.0 10.362 29.146 14.087 0.000 0.000 0.000 3/33600 140.0 9.199 26.115 12.430 0.000 0.000 0.000 3/33600 150.0 8.271 23.654 11.117 0.000 0.000 0.000 3/33600 160.0 7.516 21.620 10.053 0.000 0.000 0.000 3/33600 170.0 6.890 19.913 9.176 0.000 0.000 0.000 3/33600 180.0 6.363 18.461 8.441 0.000 0.000 0.000 3/33600 190.0 5.914 17.212 7.817 0.000 0.000 0.000 3/33600 200.0 5.527 16.127 7.282 0.000 0.000 0.000 3/33600 210.0 5.190 15.176 6.817 0.000 0.000 0.000 3/33600 220.0 4.893 14.335 6.410 0.000 0.000 0.000 3/33600 230.0 4.630 13.585 6.051 0.000 0.000 0.000 3/33600 240.0 4.395 12.914 5.731 0.000 0.000 0.000 3/33600 250.0 4.184 12.308 5.445 0.000 0.000 0.000 3/33600 260.0 3.993 11.760 5.187 0.000 0.000 0.000 3/33600 270.0 3.820 11.260 4.954 0.000 0.000 0.000 3/33600 280.0 3.662 10.803 4.741 0.000 0.000 0.000 3/33600 290.0 3.517 10.382 4.547 0.000 0.000 0.000 3/33600 300.0 3.383 9.995 4.369 0.000 0.000 0.000 3/33600 310.0 3.260 9.637 4.204 0.000 0.000 0.000 3/33600 320.0 3.146 9.304 4.053 0.000 0.000 0.000 3/33600 330.0 3.040 8.995 3.912 0.000 0.000 0.000 3/33600 340.0 2.941 8.706 3.781 0.000 0.000 0.000 3/33600 350.0 2.849 8.436 3.659 0.000 0.000 0.000 3/33600 360.0 2.762 8.183 3.545 0.000 0.000 0.000 3/33600 370.0 2.681 7.945 3.437 0.000 0.000 0.000 3/33600 380.0 2.604 7.721 3.337 0.000 0.000 0.000 3/33600 390.0 2.532 7.509 3.242 0.000 0.000 0.000 3/33600 400.0 2.464 7.309 3.153 0.000 0.000 0.000 3/33600 410.0 2.400 7.120 3.069 0.000 0.000 0.000 3/33600 420.0 2.339 6.941 2.989 0.000 0.000 0.000 3/33600 430.0 2.281 6.771 2.914 0.000 0.000 0.000 3/33600 440.0 2.226 6.609 2.842 0.000 0.000 0.000 3/33600 450.0 2.174 6.454 2.774 0.000 0.000 0.000 3/33600 460.0 2.124 6.307 2.709 0.000 0.000 0.000 3/33600 470.0 2.076 6.167 2.647 0.000 0.000 0.000 3/33600 480.0 2.031 6.033 2.588 0.000 0.000 0.000 3/33600 490.0 1.987 5.905 2.532 0.000 0.000 0.000 3/33600 500.0 1.946 5.782 2.478 0.000 0.000 0.000 3/33600 510.0 1.906 5.665 2.426 0.000 0.000 0.000 3/33600 520.0 1.868 5.552 2.377 0.000 0.000 0.000 3/33600 530.0 1.831 5.443 2.329 0.000 0.000 0.000 3/33600 540.0 1.796 5.339 2.284 0.000 0.000 0.000 3/33600 550.0 1.762 5.239 2.240 0.000 0.000 0.000 3/33600 560.0 1.729 5.142 2.198 0.000 0.000 0.000 3/33600 570.0 1.698 5.050 2.158 0.000 0.000 0.000 3/33600 580.0 1.668 4.960 2.119 0.000 0.000 0.000 3/33600 590.0 1.638 4.874 2.081 0.000 0.000 0.000 3/33600 600.0 1.610 4.790 2.045 0.000 0.000 0.000 3/33600 610.0 1.583 4.710 2.010 0.000 0.000 0.000 3/33600 620.0 1.557 4.632 1.976 0.000 0.000 0.000 3/33600 630.0 1.531 4.557 1.944 0.000 0.000 0.000 3/33600 640.0 1.507 4.484 1.912 0.000 0.000 0.000 3/33600 650.0 1.483 4.413 1.882 0.000 0.000 0.000 3/33600 660.0 1.460 4.345 1.852 0.000 0.000 0.000 3/33600 670.0 1.438 4.279 1.823 0.000 0.000 0.000 3/33600 680.0 1.416 4.215 1.796 0.000 0.000 0.000 3/33600 690.0 1.395 4.152 1.769 0.000 0.000 0.000 3/33600 700.0 1.375 4.092 1.743 0.000 0.000 0.000 3/33600 710.0 1.355 4.033 1.717 0.000 0.000 0.000 3/33600 720.0 1.336 3.976 1.693 0.000 0.000 0.000 3/33600 730.0 1.317 3.921 1.669 0.000 0.000 0.000 3/33600 740.0 1.299 3.867 1.646 0.000 0.000 0.000 3/33600 750.0 1.281 3.815 1.623 0.000 0.000 0.000 3/33600 760.0 1.264 3.764 1.601 0.000 0.000 0.000 3/33600 770.0 1.247 3.714 1.580 0.000 0.000 0.000 3/33600 780.0 1.231 3.666 1.559 0.000 0.000 0.000 3/33600 790.0 1.215 3.619 1.539 0.000 0.000 0.000 3/33600 800.0 1.200 3.573 1.519 0.000 0.000 0.000 3/33600 810.0 1.185 3.528 1.500 0.000 0.000 0.000 3/33600 820.0 1.170 3.484 1.481 0.000 0.000 0.000 3/33600 830.0 1.156 3.442 1.463 0.000 0.000 0.000 3/33600 840.0 1.142 3.400 1.445 0.000 0.000 0.000 3/33600 850.0 1.128 3.360 1.428 0.000 0.000 0.000 3/33600 860.0 1.115 3.320 1.411 0.000 0.000 0.000 3/33600 870.0 1.102 3.282 1.394 0.000 0.000 0.000 3/33600 880.0 1.089 3.244 1.378 0.000 0.000 0.000 3/33600 890.0 1.077 3.207 1.362 0.000 0.000 0.000 3/33600 900.0 1.065 3.171 1.347 0.000 0.000 0.000 3/33600 910.0 1.053 3.136 1.332 0.000 0.000 0.000 3/33600 920.0 1.041 3.102 1.317 0.000 0.000 0.000 3/33600 930.0 1.030 3.068 1.303 0.000 0.000 0.000 3/33600 940.0 1.019 3.035 1.288 0.000 0.000 0.000 3/33600 950.0 1.008 3.003 1.275 0.000 0.000 0.000 3/33600 960.0 0.997 2.971 1.261 0.000 0.000 0.000 3/33600 970.0 0.987 2.940 1.248 0.000 0.000 0.000 3/33600 980.0 0.977 2.910 1.235 0.000 0.000 0.000 3/33600 990.0 0.967 2.880 1.222 0.000 0.000 0.000 3/33600 1000.0 0.957 2.851 1.210 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5165.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:05:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|