----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:12:18]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.714608130070197 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963304160000000 0.000000000000000 c -0.509950525274502 0.000000000000000 5.690368595466460 Atomic positions (fractional): *1 O 0.85146541797876 0.96477312486165 0.74815290523118 15.999 2 O 0.14853458202124 0.46477312486165 0.75184709476882 15.999 3 O 0.14853458202124 0.03522687513835 0.25184709476882 15.999 4 O 0.85146541797876 0.53522687513835 0.24815290523118 15.999 *5 O 0.56182922644937 0.12254093593592 0.30188620887581 15.999 6 O 0.43817077355063 0.62254093593592 0.19811379112419 15.999 7 O 0.43817077355063 0.87745906406408 0.69811379112419 15.999 8 O 0.56182922644937 0.37745906406408 0.80188620887581 15.999 *9 Na 0.97141456006134 0.25829663512766 0.99122454510359 22.990 10 Na 0.02858543993866 0.75829663512766 0.50877545489641 22.990 11 Na 0.02858543993866 0.74170336487234 0.00877545489641 22.990 12 Na 0.97141456006134 0.24170336487234 0.49122454510359 22.990 *13 Na 0.67586719242554 0.64507427456802 0.57045630259640 22.990 14 Na 0.32413280757446 0.14507427456802 0.92954369740360 22.990 15 Na 0.32413280757446 0.35492572543198 0.42954369740360 22.990 16 Na 0.67586719242554 0.85492572543198 0.07045630259640 22.990 *17 Zn 0.63502735049302 0.39346235114021 0.14502617420377 65.380 18 Zn 0.36497264950698 0.89346235114021 0.35497382579623 65.380 19 Zn 0.36497264950698 0.60653764885979 0.85497382579623 65.380 20 Zn 0.63502735049302 0.10653764885979 0.64502617420377 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.714608130070197 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963304160000000 0.000000000000000 c -0.509950525274502 0.000000000000000 5.690368595466460 Atomic positions (fractional): *1 O 0.85146541797876 0.96477312486165 0.74815290523118 15.999 > 1 2 O 0.14853458202124 0.46477312486165 0.75184709476882 15.999 > 2 3 O 0.14853458202124 0.03522687513835 0.25184709476882 15.999 > 3 4 O 0.85146541797876 0.53522687513835 0.24815290523118 15.999 > 4 *5 O 0.56182922644937 0.12254093593592 0.30188620887581 15.999 > 5 6 O 0.43817077355063 0.62254093593592 0.19811379112419 15.999 > 6 7 O 0.43817077355063 0.87745906406408 0.69811379112419 15.999 > 7 8 O 0.56182922644937 0.37745906406408 0.80188620887581 15.999 > 8 *9 Na 0.97141456006134 0.25829663512766 0.99122454510359 22.990 > 9 10 Na 0.02858543993866 0.75829663512766 0.50877545489641 22.990 > 10 11 Na 0.02858543993866 0.74170336487234 0.00877545489641 22.990 > 11 12 Na 0.97141456006134 0.24170336487234 0.49122454510359 22.990 > 12 *13 Na 0.67586719242554 0.64507427456802 0.57045630259640 22.990 > 13 14 Na 0.32413280757446 0.14507427456802 0.92954369740360 22.990 > 14 15 Na 0.32413280757446 0.35492572543198 0.42954369740360 22.990 > 15 16 Na 0.67586719242554 0.85492572543198 0.07045630259640 22.990 > 16 *17 Zn 0.63502735049302 0.39346235114021 0.14502617420377 65.380 > 17 18 Zn 0.36497264950698 0.89346235114021 0.35497382579623 65.380 > 18 19 Zn 0.36497264950698 0.60653764885979 0.85497382579623 65.380 > 19 20 Zn 0.63502735049302 0.10653764885979 0.64502617420377 65.380 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.714608130070197 0.000000000000000 0.000000000000000 b 0.000000000000000 11.926608320000000 0.000000000000000 c -1.019901050549004 0.000000000000000 11.380737190932919 Atomic positions (fractional): *1 O 0.85146541797876 0.48238656243083 0.37407645261559 15.999 > 1 2 O 0.85146541797876 0.98238656243083 0.37407645261559 15.999 > 1 3 O 0.85146541797876 0.48238656243083 0.87407645261559 15.999 > 1 4 O 0.85146541797876 0.98238656243083 0.87407645261559 15.999 > 1 5 O 0.14853458202124 0.23238656243083 0.37592354738441 15.999 > 2 6 O 0.14853458202124 0.73238656243083 0.37592354738441 15.999 > 2 7 O 0.14853458202124 0.23238656243083 0.87592354738441 15.999 > 2 8 O 0.14853458202124 0.73238656243083 0.87592354738441 15.999 > 2 9 O 0.14853458202124 0.01761343756917 0.12592354738441 15.999 > 3 10 O 0.14853458202124 0.51761343756917 0.12592354738441 15.999 > 3 11 O 0.14853458202124 0.01761343756917 0.62592354738441 15.999 > 3 12 O 0.14853458202124 0.51761343756917 0.62592354738441 15.999 > 3 13 O 0.85146541797876 0.26761343756917 0.12407645261559 15.999 > 4 14 O 0.85146541797876 0.76761343756917 0.12407645261559 15.999 > 4 15 O 0.85146541797876 0.26761343756917 0.62407645261559 15.999 > 4 16 O 0.85146541797876 0.76761343756917 0.62407645261559 15.999 > 4 *17 O 0.56182922644937 0.06127046796796 0.15094310443791 15.999 > 5 18 O 0.56182922644937 0.56127046796796 0.15094310443791 15.999 > 5 19 O 0.56182922644937 0.06127046796796 0.65094310443791 15.999 > 5 20 O 0.56182922644937 0.56127046796796 0.65094310443791 15.999 > 5 21 O 0.43817077355063 0.31127046796796 0.09905689556209 15.999 > 6 22 O 0.43817077355063 0.81127046796796 0.09905689556209 15.999 > 6 23 O 0.43817077355063 0.31127046796796 0.59905689556209 15.999 > 6 24 O 0.43817077355063 0.81127046796796 0.59905689556209 15.999 > 6 25 O 0.43817077355063 0.43872953203204 0.34905689556209 15.999 > 7 26 O 0.43817077355063 0.93872953203204 0.34905689556209 15.999 > 7 27 O 0.43817077355063 0.43872953203204 0.84905689556209 15.999 > 7 28 O 0.43817077355063 0.93872953203204 0.84905689556209 15.999 > 7 29 O 0.56182922644937 0.18872953203204 0.40094310443791 15.999 > 8 30 O 0.56182922644937 0.68872953203204 0.40094310443791 15.999 > 8 31 O 0.56182922644937 0.18872953203204 0.90094310443791 15.999 > 8 32 O 0.56182922644937 0.68872953203204 0.90094310443791 15.999 > 8 *33 Na 0.97141456006134 0.12914831756383 0.49561227255179 22.990 > 9 34 Na 0.97141456006134 0.62914831756383 0.49561227255179 22.990 > 9 35 Na 0.97141456006134 0.12914831756383 0.99561227255179 22.990 > 9 36 Na 0.97141456006134 0.62914831756383 0.99561227255179 22.990 > 9 37 Na 0.02858543993866 0.37914831756383 0.25438772744821 22.990 > 10 38 Na 0.02858543993866 0.87914831756383 0.25438772744821 22.990 > 10 39 Na 0.02858543993866 0.37914831756383 0.75438772744821 22.990 > 10 40 Na 0.02858543993866 0.87914831756383 0.75438772744821 22.990 > 10 41 Na 0.02858543993866 0.37085168243617 0.00438772744821 22.990 > 11 42 Na 0.02858543993866 0.87085168243617 0.00438772744821 22.990 > 11 43 Na 0.02858543993866 0.37085168243617 0.50438772744821 22.990 > 11 44 Na 0.02858543993866 0.87085168243617 0.50438772744821 22.990 > 11 45 Na 0.97141456006134 0.12085168243617 0.24561227255179 22.990 > 12 46 Na 0.97141456006134 0.62085168243617 0.24561227255179 22.990 > 12 47 Na 0.97141456006134 0.12085168243617 0.74561227255179 22.990 > 12 48 Na 0.97141456006134 0.62085168243617 0.74561227255179 22.990 > 12 *49 Na 0.67586719242554 0.32253713728401 0.28522815129820 22.990 > 13 50 Na 0.67586719242554 0.82253713728401 0.28522815129820 22.990 > 13 51 Na 0.67586719242554 0.32253713728401 0.78522815129820 22.990 > 13 52 Na 0.67586719242554 0.82253713728401 0.78522815129820 22.990 > 13 53 Na 0.32413280757446 0.07253713728401 0.46477184870180 22.990 > 14 54 Na 0.32413280757446 0.57253713728401 0.46477184870180 22.990 > 14 55 Na 0.32413280757446 0.07253713728401 0.96477184870180 22.990 > 14 56 Na 0.32413280757446 0.57253713728401 0.96477184870180 22.990 > 14 57 Na 0.32413280757446 0.17746286271599 0.21477184870180 22.990 > 15 58 Na 0.32413280757446 0.67746286271599 0.21477184870180 22.990 > 15 59 Na 0.32413280757446 0.17746286271599 0.71477184870180 22.990 > 15 60 Na 0.32413280757446 0.67746286271599 0.71477184870180 22.990 > 15 61 Na 0.67586719242554 0.42746286271599 0.03522815129820 22.990 > 16 62 Na 0.67586719242554 0.92746286271599 0.03522815129820 22.990 > 16 63 Na 0.67586719242554 0.42746286271599 0.53522815129820 22.990 > 16 64 Na 0.67586719242554 0.92746286271599 0.53522815129820 22.990 > 16 *65 Zn 0.63502735049302 0.19673117557010 0.07251308710188 65.380 > 17 66 Zn 0.63502735049302 0.69673117557010 0.07251308710188 65.380 > 17 67 Zn 0.63502735049302 0.19673117557010 0.57251308710188 65.380 > 17 68 Zn 0.63502735049302 0.69673117557010 0.57251308710188 65.380 > 17 69 Zn 0.36497264950698 0.44673117557010 0.17748691289812 65.380 > 18 70 Zn 0.36497264950698 0.94673117557010 0.17748691289812 65.380 > 18 71 Zn 0.36497264950698 0.44673117557010 0.67748691289812 65.380 > 18 72 Zn 0.36497264950698 0.94673117557010 0.67748691289812 65.380 > 18 73 Zn 0.36497264950698 0.30326882442990 0.42748691289812 65.380 > 19 74 Zn 0.36497264950698 0.80326882442990 0.42748691289812 65.380 > 19 75 Zn 0.36497264950698 0.30326882442990 0.92748691289812 65.380 > 19 76 Zn 0.36497264950698 0.80326882442990 0.92748691289812 65.380 > 19 77 Zn 0.63502735049302 0.05326882442990 0.32251308710188 65.380 > 20 78 Zn 0.63502735049302 0.55326882442990 0.32251308710188 65.380 > 20 79 Zn 0.63502735049302 0.05326882442990 0.82251308710188 65.380 > 20 80 Zn 0.63502735049302 0.55326882442990 0.82251308710188 65.380 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7565398 0.0000000 0.0919547 0.0000000 3.8913424 0.0000000 0.0919471 0.0000000 3.8385952 -------------------------- Born effective charges -------------------------- 1 O -2.2019632 0.3162117 -0.2045753 0.1744735 -1.7251216 0.0397682 -0.1785469 0.0013018 -1.6579683 2 O -2.2019632 -0.3162117 -0.2045753 -0.1744735 -1.7251216 -0.0397682 -0.1785469 -0.0013018 -1.6579683 3 O -2.2019632 0.3162117 -0.2045753 0.1744735 -1.7251216 0.0397682 -0.1785469 0.0013018 -1.6579683 4 O -2.2019632 -0.3162117 -0.2045753 -0.1744735 -1.7251216 -0.0397682 -0.1785469 -0.0013018 -1.6579683 5 O -1.6162098 -0.3240032 0.0611742 -0.5402827 -2.2030335 0.4400035 0.0087384 0.3339535 -2.2631023 6 O -1.6162098 0.3240032 0.0611742 0.5402827 -2.2030335 -0.4400035 0.0087384 -0.3339535 -2.2631023 7 O -1.6162098 -0.3240032 0.0611742 -0.5402827 -2.2030335 0.4400035 0.0087384 0.3339535 -2.2631023 8 O -1.6162098 0.3240032 0.0611742 0.5402827 -2.2030335 -0.4400035 0.0087384 -0.3339535 -2.2631023 9 Na 1.1523779 -0.0170686 0.0179263 -0.0228820 0.9366401 -0.0719013 0.0055992 0.0053067 0.9352457 10 Na 1.1523779 0.0170686 0.0179263 0.0228820 0.9366401 0.0719013 0.0055992 -0.0053067 0.9352457 11 Na 1.1523779 -0.0170686 0.0179263 -0.0228820 0.9366401 -0.0719013 0.0055992 0.0053067 0.9352457 12 Na 1.1523779 0.0170686 0.0179263 0.0228820 0.9366401 0.0719013 0.0055992 -0.0053067 0.9352457 13 Na 0.9284290 -0.0216042 0.0192140 -0.0010178 1.0684013 0.0452766 0.0187308 0.0009052 1.0460715 14 Na 0.9284290 0.0216042 0.0192140 0.0010178 1.0684013 -0.0452766 0.0187308 -0.0009052 1.0460715 15 Na 0.9284290 -0.0216042 0.0192140 -0.0010178 1.0684013 0.0452766 0.0187308 0.0009052 1.0460715 16 Na 0.9284290 0.0216042 0.0192140 0.0010178 1.0684013 -0.0452766 0.0187308 -0.0009052 1.0460715 17 Zn 1.7373661 0.1908081 0.1062608 0.0617900 1.9231137 -0.0964129 0.1454784 -0.3411645 1.9397534 18 Zn 1.7373661 -0.1908081 0.1062608 -0.0617900 1.9231137 0.0964129 0.1454784 0.3411645 1.9397534 19 Zn 1.7373661 0.1908081 0.1062608 0.0617900 1.9231137 -0.0964129 0.1454784 -0.3411645 1.9397534 20 Zn 1.7373661 -0.1908081 0.1062608 -0.0617900 1.9231137 0.0964129 0.1454784 0.3411645 1.9397534 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1860 Number of blocks in projector: 1860 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1816), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 391), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.089 Solver_block: 200 / 640 - Time: 2.079 Solver_block: 300 / 640 - Time: 2.077 Solver_block: 400 / 640 - Time: 2.077 Solver_block: 500 / 640 - Time: 2.071 Solver_block: 600 / 640 - Time: 2.076 Solver_block: 640 / 640 - Time: 0.889 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.402 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1860 Number of blocks in projector: 1860 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 220 Use standard eigh solver. Tree of FC basis block matrices: - (1860, 1816), data: False |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 391), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:12:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:12:52]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.714608130070197 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963304160000000 0.000000000000000 c -0.509950525274502 0.000000000000000 5.690368595466460 Atomic positions (fractional): 1 O 0.85146541797876 0.96477312486165 0.74815290523118 15.999 2 O 0.14853458202124 0.46477312486165 0.75184709476882 15.999 3 O 0.14853458202124 0.03522687513835 0.25184709476882 15.999 4 O 0.85146541797876 0.53522687513835 0.24815290523118 15.999 5 O 0.56182922644937 0.12254093593592 0.30188620887581 15.999 6 O 0.43817077355063 0.62254093593592 0.19811379112419 15.999 7 O 0.43817077355063 0.87745906406408 0.69811379112419 15.999 8 O 0.56182922644937 0.37745906406408 0.80188620887581 15.999 9 Na 0.97141456006134 0.25829663512766 0.99122454510359 22.990 10 Na 0.02858543993866 0.75829663512766 0.50877545489641 22.990 11 Na 0.02858543993866 0.74170336487234 0.00877545489641 22.990 12 Na 0.97141456006134 0.24170336487234 0.49122454510359 22.990 13 Na 0.67586719242554 0.64507427456802 0.57045630259640 22.990 14 Na 0.32413280757446 0.14507427456802 0.92954369740360 22.990 15 Na 0.32413280757446 0.35492572543198 0.42954369740360 22.990 16 Na 0.67586719242554 0.85492572543198 0.07045630259640 22.990 17 Zn 0.63502735049302 0.39346235114021 0.14502617420377 65.380 18 Zn 0.36497264950698 0.89346235114021 0.35497382579623 65.380 19 Zn 0.36497264950698 0.60653764885979 0.85497382579623 65.380 20 Zn 0.63502735049302 0.10653764885979 0.64502617420377 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.714608130070197 0.000000000000000 0.000000000000000 b 0.000000000000000 11.926608320000000 0.000000000000000 c -1.019901050549004 0.000000000000000 11.380737190932919 Atomic positions (fractional): 1 O 0.85146541797876 0.48238656243083 0.37407645261559 15.999 > 1 2 O 0.85146541797876 0.98238656243083 0.37407645261559 15.999 > 1 3 O 0.85146541797876 0.48238656243083 0.87407645261559 15.999 > 1 4 O 0.85146541797876 0.98238656243083 0.87407645261559 15.999 > 1 5 O 0.14853458202124 0.23238656243083 0.37592354738441 15.999 > 5 6 O 0.14853458202124 0.73238656243083 0.37592354738441 15.999 > 5 7 O 0.14853458202124 0.23238656243083 0.87592354738441 15.999 > 5 8 O 0.14853458202124 0.73238656243083 0.87592354738441 15.999 > 5 9 O 0.14853458202124 0.01761343756917 0.12592354738441 15.999 > 9 10 O 0.14853458202124 0.51761343756917 0.12592354738441 15.999 > 9 11 O 0.14853458202124 0.01761343756917 0.62592354738441 15.999 > 9 12 O 0.14853458202124 0.51761343756917 0.62592354738441 15.999 > 9 13 O 0.85146541797876 0.26761343756917 0.12407645261559 15.999 > 13 14 O 0.85146541797876 0.76761343756917 0.12407645261559 15.999 > 13 15 O 0.85146541797876 0.26761343756917 0.62407645261559 15.999 > 13 16 O 0.85146541797876 0.76761343756917 0.62407645261559 15.999 > 13 17 O 0.56182922644937 0.06127046796796 0.15094310443791 15.999 > 17 18 O 0.56182922644937 0.56127046796796 0.15094310443791 15.999 > 17 19 O 0.56182922644937 0.06127046796796 0.65094310443791 15.999 > 17 20 O 0.56182922644937 0.56127046796796 0.65094310443791 15.999 > 17 21 O 0.43817077355063 0.31127046796796 0.09905689556209 15.999 > 21 22 O 0.43817077355063 0.81127046796796 0.09905689556209 15.999 > 21 23 O 0.43817077355063 0.31127046796796 0.59905689556209 15.999 > 21 24 O 0.43817077355063 0.81127046796796 0.59905689556209 15.999 > 21 25 O 0.43817077355063 0.43872953203204 0.34905689556209 15.999 > 25 26 O 0.43817077355063 0.93872953203204 0.34905689556209 15.999 > 25 27 O 0.43817077355063 0.43872953203204 0.84905689556209 15.999 > 25 28 O 0.43817077355063 0.93872953203204 0.84905689556209 15.999 > 25 29 O 0.56182922644937 0.18872953203204 0.40094310443791 15.999 > 29 30 O 0.56182922644937 0.68872953203204 0.40094310443791 15.999 > 29 31 O 0.56182922644937 0.18872953203204 0.90094310443791 15.999 > 29 32 O 0.56182922644937 0.68872953203204 0.90094310443791 15.999 > 29 33 Na 0.97141456006134 0.12914831756383 0.49561227255179 22.990 > 33 34 Na 0.97141456006134 0.62914831756383 0.49561227255179 22.990 > 33 35 Na 0.97141456006134 0.12914831756383 0.99561227255179 22.990 > 33 36 Na 0.97141456006134 0.62914831756383 0.99561227255179 22.990 > 33 37 Na 0.02858543993866 0.37914831756383 0.25438772744821 22.990 > 37 38 Na 0.02858543993866 0.87914831756383 0.25438772744821 22.990 > 37 39 Na 0.02858543993866 0.37914831756383 0.75438772744821 22.990 > 37 40 Na 0.02858543993866 0.87914831756383 0.75438772744821 22.990 > 37 41 Na 0.02858543993866 0.37085168243617 0.00438772744821 22.990 > 41 42 Na 0.02858543993866 0.87085168243617 0.00438772744821 22.990 > 41 43 Na 0.02858543993866 0.37085168243617 0.50438772744821 22.990 > 41 44 Na 0.02858543993866 0.87085168243617 0.50438772744821 22.990 > 41 45 Na 0.97141456006134 0.12085168243617 0.24561227255179 22.990 > 45 46 Na 0.97141456006134 0.62085168243617 0.24561227255179 22.990 > 45 47 Na 0.97141456006134 0.12085168243617 0.74561227255179 22.990 > 45 48 Na 0.97141456006134 0.62085168243617 0.74561227255179 22.990 > 45 49 Na 0.67586719242554 0.32253713728401 0.28522815129820 22.990 > 49 50 Na 0.67586719242554 0.82253713728401 0.28522815129820 22.990 > 49 51 Na 0.67586719242554 0.32253713728401 0.78522815129820 22.990 > 49 52 Na 0.67586719242554 0.82253713728401 0.78522815129820 22.990 > 49 53 Na 0.32413280757446 0.07253713728401 0.46477184870180 22.990 > 53 54 Na 0.32413280757446 0.57253713728401 0.46477184870180 22.990 > 53 55 Na 0.32413280757446 0.07253713728401 0.96477184870180 22.990 > 53 56 Na 0.32413280757446 0.57253713728401 0.96477184870180 22.990 > 53 57 Na 0.32413280757446 0.17746286271599 0.21477184870180 22.990 > 57 58 Na 0.32413280757446 0.67746286271599 0.21477184870180 22.990 > 57 59 Na 0.32413280757446 0.17746286271599 0.71477184870180 22.990 > 57 60 Na 0.32413280757446 0.67746286271599 0.71477184870180 22.990 > 57 61 Na 0.67586719242554 0.42746286271599 0.03522815129820 22.990 > 61 62 Na 0.67586719242554 0.92746286271599 0.03522815129820 22.990 > 61 63 Na 0.67586719242554 0.42746286271599 0.53522815129820 22.990 > 61 64 Na 0.67586719242554 0.92746286271599 0.53522815129820 22.990 > 61 65 Zn 0.63502735049302 0.19673117557010 0.07251308710188 65.380 > 65 66 Zn 0.63502735049302 0.69673117557010 0.07251308710188 65.380 > 65 67 Zn 0.63502735049302 0.19673117557010 0.57251308710188 65.380 > 65 68 Zn 0.63502735049302 0.69673117557010 0.57251308710188 65.380 > 65 69 Zn 0.36497264950698 0.44673117557010 0.17748691289812 65.380 > 69 70 Zn 0.36497264950698 0.94673117557010 0.17748691289812 65.380 > 69 71 Zn 0.36497264950698 0.44673117557010 0.67748691289812 65.380 > 69 72 Zn 0.36497264950698 0.94673117557010 0.67748691289812 65.380 > 69 73 Zn 0.36497264950698 0.30326882442990 0.42748691289812 65.380 > 73 74 Zn 0.36497264950698 0.80326882442990 0.42748691289812 65.380 > 73 75 Zn 0.36497264950698 0.30326882442990 0.92748691289812 65.380 > 73 76 Zn 0.36497264950698 0.80326882442990 0.92748691289812 65.380 > 73 77 Zn 0.63502735049302 0.05326882442990 0.32251308710188 65.380 > 77 78 Zn 0.63502735049302 0.55326882442990 0.32251308710188 65.380 > 77 79 Zn 0.63502735049302 0.05326882442990 0.82251308710188 65.380 > 77 80 Zn 0.63502735049302 0.55326882442990 0.82251308710188 65.380 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7565398 0.0000000 0.0919547 0.0000000 3.8913424 0.0000000 0.0919471 0.0000000 3.8385952 -------------------------- Born effective charges -------------------------- 1 O -2.2019632 0.3162117 -0.2045753 0.1744735 -1.7251216 0.0397682 -0.1785469 0.0013018 -1.6579683 2 O -2.2019632 -0.3162117 -0.2045753 -0.1744735 -1.7251216 -0.0397682 -0.1785469 -0.0013018 -1.6579683 3 O -2.2019632 0.3162117 -0.2045753 0.1744735 -1.7251216 0.0397682 -0.1785469 0.0013018 -1.6579683 4 O -2.2019632 -0.3162117 -0.2045753 -0.1744735 -1.7251216 -0.0397682 -0.1785469 -0.0013018 -1.6579683 5 O -1.6162098 -0.3240032 0.0611742 -0.5402827 -2.2030335 0.4400035 0.0087384 0.3339535 -2.2631023 6 O -1.6162098 0.3240032 0.0611742 0.5402827 -2.2030335 -0.4400035 0.0087384 -0.3339535 -2.2631023 7 O -1.6162098 -0.3240032 0.0611742 -0.5402827 -2.2030335 0.4400035 0.0087384 0.3339535 -2.2631023 8 O -1.6162098 0.3240032 0.0611742 0.5402827 -2.2030335 -0.4400035 0.0087384 -0.3339535 -2.2631023 9 Na 1.1523779 -0.0170686 0.0179263 -0.0228820 0.9366401 -0.0719013 0.0055992 0.0053067 0.9352457 10 Na 1.1523779 0.0170686 0.0179263 0.0228820 0.9366401 0.0719013 0.0055992 -0.0053067 0.9352457 11 Na 1.1523779 -0.0170686 0.0179263 -0.0228820 0.9366401 -0.0719013 0.0055992 0.0053067 0.9352457 12 Na 1.1523779 0.0170686 0.0179263 0.0228820 0.9366401 0.0719013 0.0055992 -0.0053067 0.9352457 13 Na 0.9284290 -0.0216042 0.0192140 -0.0010178 1.0684013 0.0452766 0.0187308 0.0009052 1.0460715 14 Na 0.9284290 0.0216042 0.0192140 0.0010178 1.0684013 -0.0452766 0.0187308 -0.0009052 1.0460715 15 Na 0.9284290 -0.0216042 0.0192140 -0.0010178 1.0684013 0.0452766 0.0187308 0.0009052 1.0460715 16 Na 0.9284290 0.0216042 0.0192140 0.0010178 1.0684013 -0.0452766 0.0187308 -0.0009052 1.0460715 17 Zn 1.7373661 0.1908081 0.1062608 0.0617900 1.9231137 -0.0964129 0.1454784 -0.3411645 1.9397534 18 Zn 1.7373661 -0.1908081 0.1062608 -0.0617900 1.9231137 0.0964129 0.1454784 0.3411645 1.9397534 19 Zn 1.7373661 0.1908081 0.1062608 0.0617900 1.9231137 -0.0964129 0.1454784 -0.3411645 1.9397534 20 Zn 1.7373661 -0.1908081 0.1062608 -0.0617900 1.9231137 0.0964129 0.1454784 0.3411645 1.9397534 ---------------------------------------------------------------------------- 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:13:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:13:06]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.714608130070197 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963304160000000 0.000000000000000 c -0.509950525274502 0.000000000000000 5.690368595466460 Atomic positions (fractional): 1 O 0.85146541797876 0.96477312486165 0.74815290523118 15.999 2 O 0.14853458202124 0.46477312486165 0.75184709476882 15.999 3 O 0.14853458202124 0.03522687513835 0.25184709476882 15.999 4 O 0.85146541797876 0.53522687513835 0.24815290523118 15.999 5 O 0.56182922644937 0.12254093593592 0.30188620887581 15.999 6 O 0.43817077355063 0.62254093593592 0.19811379112419 15.999 7 O 0.43817077355063 0.87745906406408 0.69811379112419 15.999 8 O 0.56182922644937 0.37745906406408 0.80188620887581 15.999 9 Na 0.97141456006134 0.25829663512766 0.99122454510359 22.990 10 Na 0.02858543993866 0.75829663512766 0.50877545489641 22.990 11 Na 0.02858543993866 0.74170336487234 0.00877545489641 22.990 12 Na 0.97141456006134 0.24170336487234 0.49122454510359 22.990 13 Na 0.67586719242554 0.64507427456802 0.57045630259640 22.990 14 Na 0.32413280757446 0.14507427456802 0.92954369740360 22.990 15 Na 0.32413280757446 0.35492572543198 0.42954369740360 22.990 16 Na 0.67586719242554 0.85492572543198 0.07045630259640 22.990 17 Zn 0.63502735049302 0.39346235114021 0.14502617420377 65.380 18 Zn 0.36497264950698 0.89346235114021 0.35497382579623 65.380 19 Zn 0.36497264950698 0.60653764885979 0.85497382579623 65.380 20 Zn 0.63502735049302 0.10653764885979 0.64502617420377 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.714608130070197 0.000000000000000 0.000000000000000 b 0.000000000000000 11.926608320000000 0.000000000000000 c -1.019901050549004 0.000000000000000 11.380737190932919 Atomic positions (fractional): 1 O 0.85146541797876 0.48238656243083 0.37407645261559 15.999 > 1 2 O 0.85146541797876 0.98238656243083 0.37407645261559 15.999 > 1 3 O 0.85146541797876 0.48238656243083 0.87407645261559 15.999 > 1 4 O 0.85146541797876 0.98238656243083 0.87407645261559 15.999 > 1 5 O 0.14853458202124 0.23238656243083 0.37592354738441 15.999 > 5 6 O 0.14853458202124 0.73238656243083 0.37592354738441 15.999 > 5 7 O 0.14853458202124 0.23238656243083 0.87592354738441 15.999 > 5 8 O 0.14853458202124 0.73238656243083 0.87592354738441 15.999 > 5 9 O 0.14853458202124 0.01761343756917 0.12592354738441 15.999 > 9 10 O 0.14853458202124 0.51761343756917 0.12592354738441 15.999 > 9 11 O 0.14853458202124 0.01761343756917 0.62592354738441 15.999 > 9 12 O 0.14853458202124 0.51761343756917 0.62592354738441 15.999 > 9 13 O 0.85146541797876 0.26761343756917 0.12407645261559 15.999 > 13 14 O 0.85146541797876 0.76761343756917 0.12407645261559 15.999 > 13 15 O 0.85146541797876 0.26761343756917 0.62407645261559 15.999 > 13 16 O 0.85146541797876 0.76761343756917 0.62407645261559 15.999 > 13 17 O 0.56182922644937 0.06127046796796 0.15094310443791 15.999 > 17 18 O 0.56182922644937 0.56127046796796 0.15094310443791 15.999 > 17 19 O 0.56182922644937 0.06127046796796 0.65094310443791 15.999 > 17 20 O 0.56182922644937 0.56127046796796 0.65094310443791 15.999 > 17 21 O 0.43817077355063 0.31127046796796 0.09905689556209 15.999 > 21 22 O 0.43817077355063 0.81127046796796 0.09905689556209 15.999 > 21 23 O 0.43817077355063 0.31127046796796 0.59905689556209 15.999 > 21 24 O 0.43817077355063 0.81127046796796 0.59905689556209 15.999 > 21 25 O 0.43817077355063 0.43872953203204 0.34905689556209 15.999 > 25 26 O 0.43817077355063 0.93872953203204 0.34905689556209 15.999 > 25 27 O 0.43817077355063 0.43872953203204 0.84905689556209 15.999 > 25 28 O 0.43817077355063 0.93872953203204 0.84905689556209 15.999 > 25 29 O 0.56182922644937 0.18872953203204 0.40094310443791 15.999 > 29 30 O 0.56182922644937 0.68872953203204 0.40094310443791 15.999 > 29 31 O 0.56182922644937 0.18872953203204 0.90094310443791 15.999 > 29 32 O 0.56182922644937 0.68872953203204 0.90094310443791 15.999 > 29 33 Na 0.97141456006134 0.12914831756383 0.49561227255179 22.990 > 33 34 Na 0.97141456006134 0.62914831756383 0.49561227255179 22.990 > 33 35 Na 0.97141456006134 0.12914831756383 0.99561227255179 22.990 > 33 36 Na 0.97141456006134 0.62914831756383 0.99561227255179 22.990 > 33 37 Na 0.02858543993866 0.37914831756383 0.25438772744821 22.990 > 37 38 Na 0.02858543993866 0.87914831756383 0.25438772744821 22.990 > 37 39 Na 0.02858543993866 0.37914831756383 0.75438772744821 22.990 > 37 40 Na 0.02858543993866 0.87914831756383 0.75438772744821 22.990 > 37 41 Na 0.02858543993866 0.37085168243617 0.00438772744821 22.990 > 41 42 Na 0.02858543993866 0.87085168243617 0.00438772744821 22.990 > 41 43 Na 0.02858543993866 0.37085168243617 0.50438772744821 22.990 > 41 44 Na 0.02858543993866 0.87085168243617 0.50438772744821 22.990 > 41 45 Na 0.97141456006134 0.12085168243617 0.24561227255179 22.990 > 45 46 Na 0.97141456006134 0.62085168243617 0.24561227255179 22.990 > 45 47 Na 0.97141456006134 0.12085168243617 0.74561227255179 22.990 > 45 48 Na 0.97141456006134 0.62085168243617 0.74561227255179 22.990 > 45 49 Na 0.67586719242554 0.32253713728401 0.28522815129820 22.990 > 49 50 Na 0.67586719242554 0.82253713728401 0.28522815129820 22.990 > 49 51 Na 0.67586719242554 0.32253713728401 0.78522815129820 22.990 > 49 52 Na 0.67586719242554 0.82253713728401 0.78522815129820 22.990 > 49 53 Na 0.32413280757446 0.07253713728401 0.46477184870180 22.990 > 53 54 Na 0.32413280757446 0.57253713728401 0.46477184870180 22.990 > 53 55 Na 0.32413280757446 0.07253713728401 0.96477184870180 22.990 > 53 56 Na 0.32413280757446 0.57253713728401 0.96477184870180 22.990 > 53 57 Na 0.32413280757446 0.17746286271599 0.21477184870180 22.990 > 57 58 Na 0.32413280757446 0.67746286271599 0.21477184870180 22.990 > 57 59 Na 0.32413280757446 0.17746286271599 0.71477184870180 22.990 > 57 60 Na 0.32413280757446 0.67746286271599 0.71477184870180 22.990 > 57 61 Na 0.67586719242554 0.42746286271599 0.03522815129820 22.990 > 61 62 Na 0.67586719242554 0.92746286271599 0.03522815129820 22.990 > 61 63 Na 0.67586719242554 0.42746286271599 0.53522815129820 22.990 > 61 64 Na 0.67586719242554 0.92746286271599 0.53522815129820 22.990 > 61 65 Zn 0.63502735049302 0.19673117557010 0.07251308710188 65.380 > 65 66 Zn 0.63502735049302 0.69673117557010 0.07251308710188 65.380 > 65 67 Zn 0.63502735049302 0.19673117557010 0.57251308710188 65.380 > 65 68 Zn 0.63502735049302 0.69673117557010 0.57251308710188 65.380 > 65 69 Zn 0.36497264950698 0.44673117557010 0.17748691289812 65.380 > 69 70 Zn 0.36497264950698 0.94673117557010 0.17748691289812 65.380 > 69 71 Zn 0.36497264950698 0.44673117557010 0.67748691289812 65.380 > 69 72 Zn 0.36497264950698 0.94673117557010 0.67748691289812 65.380 > 69 73 Zn 0.36497264950698 0.30326882442990 0.42748691289812 65.380 > 73 74 Zn 0.36497264950698 0.80326882442990 0.42748691289812 65.380 > 73 75 Zn 0.36497264950698 0.30326882442990 0.92748691289812 65.380 > 73 76 Zn 0.36497264950698 0.80326882442990 0.92748691289812 65.380 > 73 77 Zn 0.63502735049302 0.05326882442990 0.32251308710188 65.380 > 77 78 Zn 0.63502735049302 0.55326882442990 0.32251308710188 65.380 > 77 79 Zn 0.63502735049302 0.05326882442990 0.82251308710188 65.380 > 77 80 Zn 0.63502735049302 0.55326882442990 0.82251308710188 65.380 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7565398 0.0000000 0.0919547 0.0000000 3.8913424 0.0000000 0.0919471 0.0000000 3.8385952 -------------------------- Born effective charges -------------------------- 1 O -2.2019632 0.3162117 -0.2045753 0.1744735 -1.7251216 0.0397682 -0.1785469 0.0013018 -1.6579683 2 O -2.2019632 -0.3162117 -0.2045753 -0.1744735 -1.7251216 -0.0397682 -0.1785469 -0.0013018 -1.6579683 3 O -2.2019632 0.3162117 -0.2045753 0.1744735 -1.7251216 0.0397682 -0.1785469 0.0013018 -1.6579683 4 O -2.2019632 -0.3162117 -0.2045753 -0.1744735 -1.7251216 -0.0397682 -0.1785469 -0.0013018 -1.6579683 5 O -1.6162098 -0.3240032 0.0611742 -0.5402827 -2.2030335 0.4400035 0.0087384 0.3339535 -2.2631023 6 O -1.6162098 0.3240032 0.0611742 0.5402827 -2.2030335 -0.4400035 0.0087384 -0.3339535 -2.2631023 7 O -1.6162098 -0.3240032 0.0611742 -0.5402827 -2.2030335 0.4400035 0.0087384 0.3339535 -2.2631023 8 O -1.6162098 0.3240032 0.0611742 0.5402827 -2.2030335 -0.4400035 0.0087384 -0.3339535 -2.2631023 9 Na 1.1523779 -0.0170686 0.0179263 -0.0228820 0.9366401 -0.0719013 0.0055992 0.0053067 0.9352457 10 Na 1.1523779 0.0170686 0.0179263 0.0228820 0.9366401 0.0719013 0.0055992 -0.0053067 0.9352457 11 Na 1.1523779 -0.0170686 0.0179263 -0.0228820 0.9366401 -0.0719013 0.0055992 0.0053067 0.9352457 12 Na 1.1523779 0.0170686 0.0179263 0.0228820 0.9366401 0.0719013 0.0055992 -0.0053067 0.9352457 13 Na 0.9284290 -0.0216042 0.0192140 -0.0010178 1.0684013 0.0452766 0.0187308 0.0009052 1.0460715 14 Na 0.9284290 0.0216042 0.0192140 0.0010178 1.0684013 -0.0452766 0.0187308 -0.0009052 1.0460715 15 Na 0.9284290 -0.0216042 0.0192140 -0.0010178 1.0684013 0.0452766 0.0187308 0.0009052 1.0460715 16 Na 0.9284290 0.0216042 0.0192140 0.0010178 1.0684013 -0.0452766 0.0187308 -0.0009052 1.0460715 17 Zn 1.7373661 0.1908081 0.1062608 0.0617900 1.9231137 -0.0964129 0.1454784 -0.3411645 1.9397534 18 Zn 1.7373661 -0.1908081 0.1062608 -0.0617900 1.9231137 0.0964129 0.1454784 0.3411645 1.9397534 19 Zn 1.7373661 0.1908081 0.1062608 0.0617900 1.9231137 -0.0964129 0.1454784 -0.3411645 1.9397534 20 Zn 1.7373661 -0.1908081 0.1062608 -0.0617900 1.9231137 0.0964129 0.1454784 0.3411645 1.9397534 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 8 9 ] 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: 0.65, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.930 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 8.839 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 9.225 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 11.274 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 14.705 ( 0.000 0.000 0.000) 0.000 15.138 ( 0.000 0.000 0.000) 0.000 15.191 ( 0.000 0.000 0.000) 0.000 15.248 ( 0.000 0.000 0.000) 0.000 16.239 ( 0.000 0.000 0.000) 0.000 16.699 ( 0.000 0.000 0.000) 0.000 17.639 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 26.493 0.000 -7.090) 27.425 0.506 ( 26.435 0.000 5.706) 27.044 0.853 ( 45.854 0.000 -0.311) 45.855 2.544 ( -4.464 0.000 2.901) 5.324 2.746 ( -18.314 0.000 -0.151) 18.314 2.997 ( -2.719 0.000 -4.190) 4.995 3.158 ( 5.493 0.000 5.205) 7.567 3.197 ( 6.096 0.000 1.743) 6.340 3.361 ( -6.973 0.000 3.213) 7.677 3.633 ( -3.262 0.000 10.759) 11.242 3.802 ( 0.230 0.000 8.441) 8.445 4.080 ( 0.117 0.000 -4.851) 4.853 4.103 ( 0.515 0.000 3.849) 3.883 4.233 ( 10.305 0.000 -2.502) 10.604 4.401 ( 1.118 0.000 -2.528) 2.764 4.511 ( -6.797 0.000 -1.395) 6.938 4.613 ( 4.523 0.000 0.235) 4.529 4.758 ( -0.956 0.000 -6.971) 7.036 5.044 ( 8.680 0.000 -2.529) 9.041 5.086 ( -5.353 0.000 21.540) 22.195 5.482 ( 6.603 0.000 -5.963) 8.897 5.560 ( -5.936 0.000 0.399) 5.949 5.839 ( -0.784 0.000 9.561) 9.593 5.937 ( -20.521 0.000 0.245) 20.523 6.374 ( -5.246 0.000 -0.456) 5.266 6.496 ( -0.362 0.000 5.740) 5.751 6.705 ( -10.892 0.000 2.048) 11.083 6.882 ( 8.082 0.000 2.894) 8.585 7.042 ( 6.181 0.000 -4.952) 7.919 7.088 ( -1.632 0.000 -4.191) 4.498 7.093 ( 0.288 0.000 -1.581) 1.607 7.248 ( -7.834 0.000 1.796) 8.038 7.249 ( 1.107 0.000 4.854) 4.979 7.313 ( 0.962 0.000 4.580) 4.680 7.578 ( 2.982 0.000 -3.932) 4.935 7.784 ( 15.341 0.000 1.906) 15.459 7.912 ( -1.973 0.000 0.453) 2.024 7.968 ( 4.729 0.000 -31.346) 31.700 8.090 ( 2.550 0.000 -0.482) 2.596 8.177 ( -2.870 0.000 -1.754) 3.363 8.285 ( -5.029 0.000 -0.318) 5.039 8.493 ( 4.232 0.000 -0.122) 4.234 8.589 ( 1.429 0.000 5.954) 6.124 8.841 ( -0.907 0.000 1.020) 1.366 8.843 ( 0.076 0.000 2.350) 2.351 9.230 ( 0.874 0.000 -4.028) 4.122 9.563 ( -2.106 0.000 -21.440) 21.543 10.405 ( 1.002 0.000 -26.816) 26.835 10.990 ( 3.452 0.000 1.715) 3.855 11.751 ( 0.158 0.000 -0.260) 0.305 11.836 ( -6.214 0.000 67.203) 67.490 12.687 ( -1.649 0.000 -0.300) 1.677 14.450 ( -0.290 0.000 0.621) 0.685 15.128 ( -0.621 0.000 -2.444) 2.522 15.198 ( 0.643 0.000 0.713) 0.960 15.270 ( 1.826 0.000 2.270) 2.913 15.957 ( 2.320 0.000 -35.663) 35.739 16.692 ( -0.807 0.000 0.577) 0.992 17.071 ( -2.034 0.000 25.361) 25.442 17.637 ( -0.207 0.000 0.040) 0.210 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 24.808 0.000 -5.606) 25.434 0.988 ( 24.179 0.000 5.923) 24.894 1.678 ( 42.117 0.000 -3.498) 42.262 2.359 ( -22.321 0.000 0.015) 22.321 2.402 ( -10.618 0.000 4.917) 11.701 2.969 ( 0.153 0.000 -3.204) 3.207 3.143 ( -7.554 0.000 7.875) 10.912 3.324 ( 6.793 0.000 3.719) 7.745 3.336 ( 3.749 0.000 2.931) 4.759 3.577 ( -3.701 0.000 -0.014) 3.701 3.882 ( 5.196 0.000 8.352) 9.836 4.069 ( -0.984 0.000 -2.473) 2.662 4.121 ( 0.966 0.000 0.542) 1.108 4.261 ( -3.629 0.000 2.957) 4.681 4.393 ( -3.702 0.000 -3.131) 4.848 4.476 ( 0.923 0.000 -6.220) 6.288 4.647 ( -11.459 0.000 -7.783) 13.852 4.732 ( 7.477 0.000 -0.121) 7.478 4.979 ( -7.270 0.000 11.901) 13.946 5.241 ( 12.823 0.000 -3.218) 13.221 5.382 ( -7.108 0.000 6.783) 9.825 5.590 ( 4.914 0.000 -6.194) 7.907 5.666 ( -9.097 0.000 -4.494) 10.146 5.922 ( 6.880 0.000 6.556) 9.504 6.244 ( -8.013 0.000 -0.985) 8.074 6.471 ( -5.202 0.000 6.338) 8.199 6.513 ( -9.646 0.000 0.045) 9.646 6.877 ( -3.208 0.000 -3.750) 4.935 7.051 ( 0.554 0.000 -5.949) 5.975 7.141 ( 1.101 0.000 4.257) 4.397 7.164 ( 5.103 0.000 -4.303) 6.675 7.183 ( -0.899 0.000 2.734) 2.878 7.202 ( 0.032 0.000 0.713) 0.714 7.456 ( 9.290 0.000 1.140) 9.360 7.585 ( -2.185 0.000 -1.670) 2.750 7.860 ( -3.755 0.000 1.353) 3.992 7.972 ( 4.174 0.000 0.662) 4.226 8.011 ( 3.323 0.000 -11.371) 11.847 8.090 ( -5.654 0.000 -4.786) 7.408 8.212 ( 10.095 0.000 1.146) 10.160 8.229 ( -0.612 0.000 2.771) 2.838 8.545 ( 0.273 0.000 -0.056) 0.279 8.644 ( 4.121 0.000 5.672) 7.011 8.822 ( -1.226 0.000 1.497) 1.935 8.843 ( -0.710 0.000 2.510) 2.608 9.243 ( 1.244 0.000 -4.740) 4.901 9.477 ( -3.817 0.000 -8.847) 9.635 10.375 ( -0.536 0.000 -12.042) 12.054 11.065 ( 3.749 0.000 1.745) 4.136 11.754 ( 0.201 0.000 -0.323) 0.380 11.831 ( -2.570 0.000 25.925) 26.052 12.649 ( -2.062 0.000 -0.363) 2.093 14.445 ( -0.381 0.000 0.722) 0.816 15.115 ( -0.247 0.000 -2.142) 2.156 15.215 ( 0.867 0.000 0.958) 1.292 15.309 ( 1.748 0.000 1.966) 2.631 15.937 ( 0.112 0.000 -14.397) 14.397 16.675 ( -0.965 0.000 0.670) 1.175 17.076 ( -0.561 0.000 9.286) 9.303 17.632 ( -0.257 0.000 0.050) 0.261 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 18.573 0.000 -2.879) 18.795 1.381 ( 14.750 0.000 4.110) 15.312 1.965 ( -18.055 0.000 0.698) 18.068 2.072 ( -5.261 0.000 -8.070) 9.633 2.467 ( 21.067 0.000 8.062) 22.557 2.973 ( 0.240 0.000 -1.150) 1.175 3.039 ( -3.476 0.000 3.129) 4.677 3.391 ( 1.214 0.000 1.701) 2.090 3.435 ( 2.681 0.000 1.981) 3.334 3.504 ( -2.411 0.000 -2.064) 3.174 3.962 ( 1.658 0.000 3.405) 3.788 3.972 ( -11.113 0.000 -2.342) 11.357 4.137 ( 0.947 0.000 -1.665) 1.915 4.187 ( -8.322 0.000 1.590) 8.473 4.257 ( 2.226 0.000 3.005) 3.739 4.444 ( -2.476 0.000 -4.077) 4.770 4.513 ( -1.312 0.000 -1.478) 1.976 4.839 ( 3.172 0.000 -0.148) 3.176 4.926 ( -0.828 0.000 1.946) 2.115 5.374 ( 3.057 0.000 3.989) 5.026 5.474 ( 11.493 0.000 -2.740) 11.815 5.512 ( -6.760 0.000 -2.479) 7.200 5.613 ( -2.499 0.000 -0.854) 2.641 6.099 ( 10.968 0.000 1.901) 11.132 6.110 ( -4.814 0.000 -0.940) 4.905 6.314 ( -11.439 0.000 2.825) 11.783 6.373 ( -4.518 0.000 -0.386) 4.534 6.848 ( 0.021 0.000 -1.577) 1.577 7.073 ( 2.039 0.000 -6.692) 6.996 7.112 ( -2.247 0.000 8.484) 8.776 7.177 ( -0.058 0.000 1.292) 1.293 7.226 ( 1.680 0.000 -2.384) 2.916 7.279 ( 4.941 0.000 -2.948) 5.754 7.498 ( -4.939 0.000 1.097) 5.059 7.620 ( 6.580 0.000 -0.328) 6.588 7.787 ( -3.807 0.000 1.445) 4.072 7.991 ( -3.302 0.000 -2.362) 4.060 8.005 ( 0.453 0.000 0.369) 0.585 8.046 ( 1.524 0.000 -3.553) 3.866 8.244 ( 0.911 0.000 0.993) 1.348 8.366 ( 4.674 0.000 0.838) 4.749 8.530 ( -0.980 0.000 0.544) 1.121 8.729 ( 3.442 0.000 2.009) 3.985 8.806 ( -0.599 0.000 0.778) 0.982 8.821 ( -1.659 0.000 0.683) 1.794 9.256 ( 0.591 0.000 -1.989) 2.075 9.413 ( -1.633 0.000 -2.793) 3.235 10.352 ( -0.388 0.000 -3.755) 3.775 11.119 ( 1.530 0.000 0.683) 1.675 11.756 ( 0.091 0.000 -0.143) 0.170 11.828 ( -0.780 0.000 7.446) 7.487 12.619 ( -0.920 0.000 -0.158) 0.934 14.440 ( -0.175 0.000 0.304) 0.351 15.111 ( -0.016 0.000 -0.791) 0.791 15.229 ( 0.414 0.000 0.455) 0.615 15.335 ( 0.682 0.000 0.727) 0.997 15.919 ( -0.174 0.000 -4.305) 4.308 16.662 ( -0.416 0.000 0.283) 0.503 17.079 ( -0.117 0.000 2.565) 2.568 17.629 ( -0.114 0.000 0.022) 0.116 ======================= Grid point 7 (5/160) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 26.368 0.000) 26.368 0.696 ( 0.000 32.642 0.000) 32.642 1.203 ( 0.000 56.954 0.000) 56.954 2.558 ( 0.000 -2.375 0.000) 2.375 2.960 ( 0.000 -1.237 0.000) 1.237 3.059 ( 0.000 2.278 0.000) 2.278 3.200 ( 0.000 7.256 0.000) 7.256 3.211 ( 0.000 12.100 0.000) 12.100 3.381 ( 0.000 1.735 0.000) 1.735 3.570 ( 0.000 9.906 0.000) 9.906 3.850 ( 0.000 1.327 0.000) 1.327 3.964 ( 0.000 -5.811 0.000) 5.811 4.087 ( 0.000 -1.289 0.000) 1.289 4.186 ( 0.000 7.165 0.000) 7.165 4.343 ( 0.000 -6.354 0.000) 6.354 4.589 ( 0.000 -0.293 0.000) 0.293 4.595 ( 0.000 3.919 0.000) 3.919 4.863 ( 0.000 2.302 0.000) 2.302 4.943 ( 0.000 0.569 0.000) 0.569 5.039 ( 0.000 6.149 0.000) 6.149 5.364 ( 0.000 -5.154 0.000) 5.154 5.632 ( 0.000 4.463 0.000) 4.463 5.723 ( 0.000 -9.395 0.000) 9.395 6.222 ( 0.000 -0.584 0.000) 0.584 6.262 ( 0.000 -2.401 0.000) 2.401 6.566 ( 0.000 2.061 0.000) 2.061 6.568 ( 0.000 9.642 0.000) 9.642 6.883 ( 0.000 -4.893 0.000) 4.893 6.888 ( 0.000 -1.529 0.000) 1.529 7.070 ( 0.000 -9.771 0.000) 9.771 7.112 ( 0.000 1.739 0.000) 1.739 7.303 ( 0.000 -3.298 0.000) 3.298 7.382 ( 0.000 2.623 0.000) 2.623 7.457 ( 0.000 -6.787 0.000) 6.787 7.528 ( 0.000 4.767 0.000) 4.767 7.693 ( 0.000 1.216 0.000) 1.216 7.749 ( 0.000 -0.856 0.000) 0.856 7.895 ( 0.000 -2.948 0.000) 2.948 7.973 ( 0.000 -14.526 0.000) 14.526 8.102 ( 0.000 2.804 0.000) 2.804 8.394 ( 0.000 -2.268 0.000) 2.268 8.401 ( 0.000 -2.597 0.000) 2.597 8.634 ( 0.000 -4.387 0.000) 4.387 8.730 ( 0.000 8.568 0.000) 8.568 8.841 ( 0.000 -0.860 0.000) 0.860 9.178 ( 0.000 -3.754 0.000) 3.754 9.935 ( 0.000 1.223 0.000) 1.223 10.360 ( 0.000 -1.988 0.000) 1.988 11.008 ( 0.000 5.114 0.000) 5.114 11.275 ( 0.000 0.401 0.000) 0.401 12.696 ( 0.000 -0.861 0.000) 0.861 12.748 ( 0.000 -1.706 0.000) 1.706 14.681 ( 0.000 -2.192 0.000) 2.192 14.821 ( 0.000 -13.643 0.000) 13.643 15.188 ( 0.000 4.657 0.000) 4.657 15.481 ( 0.000 14.874 0.000) 14.874 16.237 ( 0.000 -0.254 0.000) 0.254 16.420 ( 0.000 -4.819 0.000) 4.819 16.746 ( 0.000 4.218 0.000) 4.218 17.612 ( 0.000 -2.549 0.000) 2.549 ======================= Grid point 8 (6/160) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 13.829 21.159 0.790) 25.290 0.808 ( 14.762 24.385 6.462) 29.229 1.482 ( 24.814 44.351 -4.014) 50.978 2.522 ( -5.095 -2.054 3.264) 6.390 2.808 ( -14.343 4.904 -0.422) 15.163 3.078 ( -1.140 2.850 -1.366) 3.360 3.177 ( 3.771 5.266 -1.788) 6.720 3.263 ( 2.744 5.160 3.879) 7.015 3.483 ( 1.623 -4.150 8.522) 9.616 3.497 ( -4.210 11.720 1.354) 12.527 3.813 ( -0.173 0.530 7.651) 7.671 4.025 ( 3.275 -6.118 -2.119) 7.256 4.133 ( 2.177 -0.644 2.073) 3.075 4.191 ( 0.378 1.608 -4.265) 4.574 4.360 ( 3.608 -1.568 -0.119) 3.936 4.549 ( -5.332 1.549 -0.337) 5.562 4.640 ( 3.086 2.085 -1.128) 3.891 4.760 ( -1.947 0.913 -5.946) 6.323 5.050 ( 3.145 0.398 11.239) 11.677 5.136 ( 7.852 5.609 -2.356) 9.933 5.447 ( 7.243 -3.712 -5.007) 9.555 5.510 ( -9.610 -3.393 -0.650) 10.212 5.782 ( 3.625 -2.661 4.173) 6.135 5.879 ( -17.858 0.445 1.183) 17.902 6.444 ( 1.709 -2.985 4.063) 5.324 6.505 ( -4.388 9.220 -0.766) 10.240 6.629 ( -8.134 -7.018 3.811) 11.399 6.829 ( 10.184 -2.471 -3.805) 11.149 6.942 ( -2.347 -8.579 -3.231) 9.463 7.045 ( 2.609 -1.118 -2.523) 3.798 7.174 ( 3.520 2.003 -2.287) 4.650 7.241 ( -4.975 -0.348 1.820) 5.309 7.301 ( -7.776 5.572 4.900) 10.748 7.437 ( 0.829 5.224 2.143) 5.707 7.599 ( 2.575 -2.115 -2.159) 3.971 7.695 ( 9.989 -6.586 3.226) 12.392 7.865 ( 4.708 -3.044 -10.863) 12.225 7.894 ( -0.156 -2.674 -1.262) 2.961 8.063 ( 4.850 -10.018 0.430) 11.139 8.132 ( 3.320 -1.989 1.036) 4.007 8.290 ( -5.233 1.023 -7.002) 8.801 8.417 ( 0.785 -2.313 3.322) 4.123 8.677 ( 1.986 -1.493 8.501) 8.856 8.724 ( 0.083 2.922 -4.985) 5.779 8.853 ( 0.554 0.385 -0.652) 0.938 9.143 ( -2.204 -4.830 -1.874) 5.630 9.811 ( -8.583 8.403 -7.243) 14.026 10.365 ( 0.624 -3.244 -11.704) 12.161 11.035 ( 2.834 4.788 3.564) 6.607 11.417 ( 9.778 -6.119 11.182) 16.065 12.417 ( -21.142 14.919 7.015) 26.810 12.717 ( -2.179 1.645 5.434) 6.081 14.436 ( -8.957 -1.870 -2.410) 9.462 14.974 ( 4.122 -11.641 1.574) 12.450 15.203 ( 1.155 4.042 1.988) 4.651 15.489 ( 0.785 14.320 -0.107) 14.342 16.058 ( -4.046 5.921 -23.636) 24.700 16.574 ( 1.823 -10.872 6.270) 12.682 16.897 ( 9.328 -3.942 12.638) 16.195 17.614 ( 0.067 -2.481 -0.242) 2.494 ======================= Grid point 9 (7/160) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 24.143 10.939 -3.721) 26.766 1.163 ( 19.879 14.820 6.515) 25.637 1.955 ( 22.217 24.583 -2.634) 33.239 2.369 ( -9.737 0.364 5.487) 11.183 2.482 ( -19.319 7.339 -1.480) 20.719 3.071 ( 1.652 8.116 -2.264) 8.587 3.278 ( 4.071 1.598 4.822) 6.510 3.326 ( 2.431 2.244 1.419) 3.600 3.367 ( -2.666 9.991 6.845) 12.402 3.539 ( 0.241 -1.081 -2.038) 2.319 3.870 ( 3.845 -1.627 6.771) 7.955 4.077 ( 2.739 -5.497 -0.013) 6.142 4.131 ( -2.537 -3.113 2.175) 4.567 4.168 ( -1.206 3.051 -3.596) 4.868 4.398 ( -7.901 -0.893 -1.006) 8.015 4.447 ( 1.551 1.555 -3.030) 3.742 4.690 ( -6.887 4.198 -5.088) 9.537 4.729 ( 5.139 -0.536 -1.188) 5.302 5.063 ( -3.664 5.683 6.799) 9.589 5.190 ( -1.842 -4.327 5.157) 6.979 5.431 ( 6.823 0.386 -4.654) 8.268 5.512 ( -4.135 -0.446 -0.870) 4.249 5.695 ( 1.408 1.636 -6.774) 7.110 5.881 ( 6.321 -1.592 4.752) 8.067 6.357 ( -9.845 7.193 3.883) 12.796 6.407 ( -7.893 -5.864 3.647) 10.487 6.461 ( -6.865 -3.636 -2.008) 8.024 6.874 ( -0.833 0.230 -0.580) 1.041 6.979 ( 2.588 -9.728 -1.445) 10.169 7.127 ( 3.480 -3.018 -1.381) 4.809 7.152 ( -1.042 4.825 -6.350) 8.043 7.227 ( 1.400 3.707 4.284) 5.835 7.256 ( 1.706 2.165 -0.627) 2.827 7.489 ( 4.457 2.496 0.948) 5.195 7.604 ( -2.170 0.450 -1.029) 2.443 7.796 ( -0.317 -6.169 2.224) 6.566 7.895 ( 1.045 -6.187 -1.522) 6.456 7.965 ( 3.719 -0.553 0.665) 3.818 8.083 ( -5.162 -3.515 -3.467) 7.143 8.159 ( 7.074 -4.472 -1.065) 8.437 8.302 ( 4.554 1.270 -3.401) 5.824 8.470 ( 4.202 -4.329 1.593) 6.239 8.687 ( -1.625 5.999 3.767) 7.268 8.741 ( 1.788 -5.242 0.893) 5.611 8.846 ( -1.178 0.858 -0.177) 1.468 9.119 ( -0.109 -7.240 -1.910) 7.488 9.658 ( -6.440 9.065 -5.368) 12.348 10.345 ( -0.636 -3.157 -8.466) 9.058 11.106 ( 3.623 4.397 2.931) 6.407 11.591 ( 7.124 -7.315 6.680) 12.201 12.122 ( -12.108 16.588 6.931) 21.675 12.682 ( -2.154 1.857 1.983) 3.467 14.343 ( -2.355 -7.132 -1.307) 7.623 15.011 ( 0.726 -8.704 0.657) 8.759 15.230 ( 1.270 3.626 1.732) 4.214 15.506 ( 0.896 13.723 0.177) 13.754 15.990 ( -1.086 4.133 -12.394) 13.110 16.580 ( -0.685 -8.528 2.002) 8.787 17.021 ( 3.043 -3.056 6.903) 8.139 17.612 ( -0.231 -2.253 -0.156) 2.270 ======================= Grid point 10 (8/160) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 13.825 8.424 -0.413) 16.195 1.531 ( 24.019 9.880 1.281) 26.003 1.947 ( -18.180 8.795 -0.943) 20.218 2.142 ( -13.264 4.808 -1.917) 14.238 2.447 ( 8.697 -0.025 4.863) 9.965 3.136 ( 3.932 13.540 -2.038) 14.245 3.315 ( 4.486 10.634 6.000) 13.008 3.372 ( 2.983 4.589 -2.526) 6.029 3.434 ( 3.173 -0.088 5.671) 6.499 3.499 ( -3.836 3.021 -5.239) 7.162 3.927 ( -0.457 -2.960 2.599) 3.965 4.032 ( -11.616 3.846 -1.329) 12.309 4.098 ( -1.009 -4.972 -0.561) 5.104 4.122 ( 1.431 -7.089 1.202) 7.331 4.293 ( 1.216 4.476 1.525) 4.882 4.394 ( -5.994 3.126 -3.115) 7.443 4.578 ( -1.535 6.160 -0.096) 6.349 4.816 ( 2.929 -2.007 -0.409) 3.574 5.034 ( 0.439 6.532 -1.709) 6.766 5.212 ( 2.014 -10.635 5.991) 12.371 5.356 ( -6.268 -6.854 -1.758) 9.453 5.637 ( 9.421 8.696 -3.140) 13.200 5.722 ( -0.207 4.486 -2.089) 4.952 6.034 ( 8.334 -1.485 1.358) 8.574 6.186 ( -7.458 1.728 4.033) 8.653 6.271 ( -5.795 -1.455 -1.618) 6.190 6.333 ( -5.728 -3.350 0.264) 6.641 6.879 ( 0.660 3.186 -0.204) 3.260 7.001 ( 0.514 -9.489 -0.286) 9.507 7.129 ( 0.106 1.045 -0.189) 1.067 7.167 ( 0.671 0.317 -0.846) 1.125 7.246 ( 0.374 3.195 0.402) 3.241 7.328 ( 4.112 2.039 -2.347) 5.155 7.523 ( -4.182 1.164 1.731) 4.673 7.584 ( 3.418 -2.828 -0.918) 4.530 7.776 ( -0.959 -0.743 1.420) 1.868 7.913 ( 0.742 -8.109 -0.106) 8.144 7.941 ( -3.296 -2.217 -0.973) 4.090 8.038 ( -0.088 0.677 -0.437) 0.810 8.289 ( 5.202 -3.731 1.242) 6.521 8.353 ( 0.434 -1.146 -2.973) 3.215 8.556 ( 4.141 0.328 0.645) 4.204 8.654 ( -2.144 0.173 0.895) 2.329 8.776 ( 1.780 -2.227 1.094) 3.054 8.817 ( -1.769 0.094 0.325) 1.801 9.119 ( 0.111 -7.911 -0.641) 7.937 9.567 ( -2.451 7.716 -2.141) 8.374 10.323 ( -0.435 -3.082 -2.902) 4.255 11.160 ( 1.522 4.380 1.047) 4.754 11.701 ( 3.581 -7.525 1.915) 8.551 11.972 ( -4.920 15.254 2.557) 16.231 12.653 ( -0.926 1.983 0.534) 2.253 14.317 ( -0.562 -9.028 -0.371) 9.053 15.019 ( 0.141 -7.934 0.185) 7.937 15.250 ( 0.548 3.553 0.657) 3.654 15.519 ( 0.388 13.393 0.116) 13.399 15.963 ( -0.374 3.548 -3.900) 5.286 16.571 ( -0.379 -8.073 0.592) 8.103 17.060 ( 0.721 -1.409 2.058) 2.596 17.608 ( -0.138 -2.210 -0.049) 2.214 ======================= Grid point 14 (9/160) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 24.914 0.000) 24.914 1.358 ( 0.000 30.271 0.000) 30.271 2.352 ( 0.000 45.946 0.000) 45.946 2.478 ( 0.000 0.034 0.000) 0.034 2.961 ( 0.000 1.626 0.000) 1.626 3.095 ( 0.000 1.451 0.000) 1.451 3.356 ( 0.000 -4.158 0.000) 4.158 3.356 ( 0.000 5.125 0.000) 5.125 3.459 ( 0.000 7.727 0.000) 7.727 3.707 ( 0.000 2.276 0.000) 2.276 3.896 ( 0.000 2.589 0.000) 2.589 3.958 ( 0.000 2.393 0.000) 2.393 4.103 ( 0.000 3.650 0.000) 3.650 4.301 ( 0.000 7.445 0.000) 7.445 4.324 ( 0.000 5.263 0.000) 5.263 4.607 ( 0.000 2.453 0.000) 2.453 4.737 ( 0.000 7.899 0.000) 7.899 4.868 ( 0.000 -0.865 0.000) 0.865 4.972 ( 0.000 2.524 0.000) 2.524 5.196 ( 0.000 7.852 0.000) 7.852 5.257 ( 0.000 -2.855 0.000) 2.855 5.542 ( 0.000 -5.731 0.000) 5.731 5.764 ( 0.000 7.206 0.000) 7.206 6.182 ( 0.000 -6.376 0.000) 6.376 6.191 ( 0.000 -3.085 0.000) 3.085 6.522 ( 0.000 -8.780 0.000) 8.780 6.645 ( 0.000 -10.562 0.000) 10.562 6.779 ( 0.000 -1.829 0.000) 1.829 6.788 ( 0.000 -8.668 0.000) 8.668 6.879 ( 0.000 -2.164 0.000) 2.164 7.183 ( 0.000 3.964 0.000) 3.964 7.206 ( 0.000 -14.223 0.000) 14.223 7.242 ( 0.000 -2.639 0.000) 2.639 7.446 ( 0.000 2.539 0.000) 2.539 7.596 ( 0.000 2.340 0.000) 2.340 7.716 ( 0.000 -0.379 0.000) 0.379 7.774 ( 0.000 6.041 0.000) 6.041 7.801 ( 0.000 -2.047 0.000) 2.047 7.840 ( 0.000 -1.523 0.000) 1.523 8.171 ( 0.000 2.429 0.000) 2.429 8.331 ( 0.000 -3.762 0.000) 3.762 8.346 ( 0.000 -1.852 0.000) 1.852 8.512 ( 0.000 -6.334 0.000) 6.334 8.796 ( 0.000 -3.070 0.000) 3.070 8.815 ( 0.000 -1.151 0.000) 1.151 9.125 ( 0.000 -0.538 0.000) 0.538 9.965 ( 0.000 1.466 0.000) 1.466 10.281 ( 0.000 -5.465 0.000) 5.465 11.155 ( 0.000 8.355 0.000) 8.355 11.309 ( 0.000 2.964 0.000) 2.964 12.659 ( 0.000 -2.695 0.000) 2.695 12.689 ( 0.000 -3.890 0.000) 3.890 14.588 ( 0.000 -8.163 0.000) 8.163 14.620 ( 0.000 -3.402 0.000) 3.402 15.328 ( 0.000 8.481 0.000) 8.481 15.757 ( 0.000 10.987 0.000) 10.987 16.226 ( 0.000 -0.845 0.000) 0.845 16.282 ( 0.000 -7.962 0.000) 7.962 16.868 ( 0.000 7.269 0.000) 7.269 17.532 ( 0.000 -5.075 0.000) 5.075 ======================= Grid point 15 (10/160) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 7.184 22.948 5.211) 24.604 1.394 ( 5.254 29.066 0.596) 29.543 2.432 ( 5.095 25.073 0.098) 25.586 2.476 ( -0.028 14.760 2.401) 14.954 2.901 ( -5.955 3.080 -1.344) 6.838 3.092 ( -1.390 1.200 2.585) 3.171 3.297 ( -3.637 3.349 1.072) 5.059 3.374 ( -0.965 2.407 -5.659) 6.225 3.438 ( 1.732 -0.030 2.785) 3.280 3.737 ( 1.779 3.191 2.508) 4.431 3.817 ( -7.142 1.379 4.441) 8.523 3.986 ( 2.232 3.751 -0.213) 4.370 4.138 ( -1.169 4.242 -0.086) 4.401 4.214 ( 3.284 0.603 -4.442) 5.557 4.441 ( 4.475 8.965 3.047) 10.472 4.537 ( -9.208 -0.159 3.152) 9.734 4.729 ( 1.590 6.521 -1.469) 6.871 4.832 ( 2.564 5.029 -4.857) 7.447 5.082 ( 3.260 2.393 2.974) 5.020 5.276 ( 8.786 7.828 -1.461) 11.858 5.354 ( 1.145 -5.259 -5.950) 8.023 5.419 ( -2.328 -1.938 2.012) 3.637 5.813 ( 2.536 4.743 -0.336) 5.389 5.949 ( -13.159 4.407 2.239) 14.057 6.319 ( 3.313 -10.299 2.526) 11.109 6.396 ( -11.558 -14.356 1.569) 18.497 6.647 ( -1.386 -9.540 -4.886) 10.807 6.683 ( -2.108 0.838 4.572) 5.104 6.835 ( 3.664 -3.947 -1.331) 5.547 6.987 ( 2.121 -5.332 -4.052) 7.025 7.194 ( 1.409 -4.932 0.865) 5.201 7.209 ( 1.675 0.002 0.455) 1.736 7.294 ( 5.983 -9.093 2.159) 11.097 7.498 ( 0.846 4.665 2.704) 5.458 7.517 ( -3.763 2.171 -2.276) 4.905 7.671 ( 0.549 1.957 1.184) 2.352 7.805 ( 0.029 -2.194 2.017) 2.981 7.860 ( 3.593 0.359 -1.767) 4.020 7.920 ( 7.952 -1.185 -3.884) 8.929 8.163 ( -2.417 1.279 -0.359) 2.758 8.244 ( -2.709 -3.753 -4.071) 6.165 8.404 ( 2.713 0.678 2.295) 3.618 8.552 ( 3.319 -7.015 2.877) 8.277 8.773 ( -1.038 -1.413 1.986) 2.650 8.855 ( 2.817 -2.456 -2.269) 4.372 9.078 ( -4.435 0.180 -2.001) 4.869 9.910 ( -5.395 2.639 -1.508) 6.192 10.266 ( -1.198 -6.250 -3.389) 7.210 11.180 ( 2.499 8.395 3.059) 9.278 11.375 ( 5.882 0.972 1.847) 6.242 12.555 ( -8.033 1.622 -3.469) 8.899 12.703 ( -0.987 -3.082 6.904) 7.624 14.390 ( -10.512 -1.709 -2.958) 11.053 14.752 ( 4.804 -9.117 1.814) 10.464 15.337 ( 0.803 8.412 1.403) 8.566 15.765 ( 0.742 11.116 0.724) 11.165 16.141 ( -3.685 1.832 -12.556) 13.213 16.343 ( 1.921 -10.277 5.985) 12.047 16.921 ( 4.279 4.472 4.100) 7.424 17.533 ( 0.088 -5.177 -0.274) 5.185 ======================= Grid point 16 (11/160) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 12.163 16.803 1.722) 20.815 1.576 ( 13.098 23.101 2.386) 26.662 2.368 ( -7.241 1.035 6.844) 10.017 2.539 ( -0.267 20.794 -0.017) 20.795 2.704 ( -14.700 17.719 -2.899) 23.205 3.085 ( 1.185 -7.999 3.815) 8.941 3.302 ( 3.084 -0.145 1.988) 3.672 3.361 ( 2.509 0.985 -8.296) 8.723 3.486 ( 1.625 2.796 3.547) 4.800 3.709 ( -1.580 5.532 3.399) 6.682 3.809 ( 4.344 -2.312 1.880) 5.268 3.999 ( -0.953 4.933 -0.677) 5.070 4.116 ( -0.788 4.415 -0.331) 4.497 4.291 ( -1.759 4.964 -3.699) 6.436 4.345 ( -2.702 -3.027 2.527) 4.780 4.569 ( 6.077 8.546 1.529) 10.597 4.763 ( 1.513 6.381 -3.483) 7.426 4.840 ( -3.166 9.887 -2.388) 10.652 5.095 ( -8.008 -4.340 7.846) 12.022 5.144 ( -3.269 1.629 -1.144) 3.827 5.417 ( -0.019 4.533 -3.848) 5.947 5.596 ( 10.709 2.552 -4.585) 11.926 5.752 ( -0.745 4.908 -3.018) 5.810 5.898 ( 3.901 2.063 2.769) 5.210 6.195 ( -8.906 -12.002 4.102) 15.498 6.332 ( -2.409 -7.437 3.772) 8.679 6.530 ( -8.271 4.263 -1.766) 9.471 6.708 ( 1.555 -13.691 -0.900) 13.808 6.879 ( 1.274 -2.794 2.292) 3.832 7.028 ( 4.157 -7.612 -4.362) 9.708 7.186 ( -0.048 -2.569 -2.255) 3.419 7.255 ( 0.671 -1.290 0.186) 1.466 7.351 ( -1.382 4.324 0.916) 4.631 7.483 ( 3.055 -9.118 -0.488) 9.628 7.547 ( 0.750 2.422 2.431) 3.513 7.690 ( 0.767 -0.231 1.888) 2.051 7.807 ( -0.134 -1.416 1.677) 2.199 7.970 ( 6.294 1.058 -0.485) 6.401 8.010 ( 1.322 -1.888 -2.138) 3.144 8.081 ( -1.706 -1.990 -1.958) 3.272 8.260 ( 3.157 -1.806 -3.664) 5.163 8.475 ( 4.782 1.125 2.229) 5.394 8.619 ( 3.204 -6.479 -0.758) 7.268 8.768 ( -0.414 0.569 5.781) 5.823 8.895 ( 1.482 -0.529 -3.086) 3.465 8.978 ( -5.066 -2.188 -1.537) 5.729 9.786 ( -6.935 3.744 -1.902) 8.107 10.234 ( -1.399 -7.287 -3.480) 8.196 11.245 ( 3.477 8.242 2.886) 9.399 11.492 ( 5.707 -1.758 1.859) 6.255 12.395 ( -7.900 8.487 -0.327) 11.600 12.683 ( -1.848 -2.104 3.959) 4.849 14.235 ( -5.594 -2.042 -2.229) 6.359 14.806 ( 1.270 -10.157 1.037) 10.288 15.358 ( 1.077 8.272 1.506) 8.476 15.783 ( 0.964 11.538 0.895) 11.613 16.073 ( -1.863 3.202 -8.901) 9.641 16.362 ( -0.192 -11.268 2.673) 11.582 17.002 ( 3.253 1.522 3.524) 5.032 17.532 ( -0.111 -5.246 -0.281) 5.254 ======================= Grid point 17 (12/160) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 7.934 5.461 -0.531) 9.647 1.841 ( 13.885 18.512 1.140) 23.169 2.259 ( -9.255 6.857 5.306) 12.682 2.368 ( -7.441 19.040 -3.268) 20.702 2.510 ( -6.562 10.011 1.210) 12.031 3.111 ( 0.539 -13.743 1.861) 13.879 3.373 ( 3.252 -3.393 2.668) 5.404 3.416 ( 2.112 -2.613 -6.128) 6.989 3.501 ( 0.034 6.461 1.321) 6.595 3.785 ( 8.388 4.542 1.889) 9.724 3.909 ( 4.647 2.287 1.666) 5.441 3.976 ( -0.693 3.980 -1.823) 4.432 4.033 ( -7.964 5.720 -0.276) 9.809 4.193 ( -3.684 6.574 0.160) 7.538 4.379 ( 0.983 4.725 -1.841) 5.166 4.613 ( -3.164 15.055 1.049) 15.420 4.752 ( 0.565 5.265 0.443) 5.313 4.792 ( 0.851 3.847 -1.060) 4.080 4.997 ( -1.655 -4.657 1.176) 5.080 5.148 ( -0.133 2.363 0.378) 2.396 5.304 ( -5.620 3.892 -0.402) 6.848 5.729 ( 2.467 -0.182 -4.379) 5.030 5.804 ( 3.430 1.529 -1.536) 4.057 6.026 ( 7.937 -2.173 2.187) 8.514 6.122 ( 0.410 -1.887 2.925) 3.504 6.260 ( -4.715 -2.257 3.485) 6.282 6.359 ( -8.428 6.160 -3.508) 11.013 6.725 ( 0.471 -15.583 -0.295) 15.593 6.919 ( 1.952 -3.020 2.500) 4.379 7.082 ( 1.700 -6.701 -2.024) 7.204 7.177 ( -0.550 -2.101 -3.681) 4.274 7.249 ( -0.439 -2.839 1.393) 3.193 7.351 ( 0.825 0.730 -0.435) 1.185 7.493 ( -1.014 -4.459 1.997) 4.990 7.562 ( 0.378 2.027 -0.374) 2.096 7.709 ( 0.806 -4.701 0.980) 4.869 7.814 ( 1.003 0.890 0.213) 1.358 7.925 ( -4.067 -0.351 0.245) 4.090 8.062 ( 1.221 2.619 0.617) 2.954 8.140 ( 3.962 -5.695 -1.493) 7.097 8.307 ( 1.774 -0.968 -1.909) 2.780 8.575 ( 4.616 -0.703 2.690) 5.389 8.649 ( 0.015 -4.135 -4.355) 6.006 8.775 ( 0.298 2.226 4.619) 5.135 8.863 ( -2.988 4.521 -0.927) 5.498 8.941 ( 0.296 -8.964 -0.677) 8.995 9.680 ( -3.300 3.603 -1.027) 4.992 10.209 ( -0.652 -7.742 -1.338) 7.884 11.299 ( 1.545 8.208 1.073) 8.421 11.572 ( 2.336 -3.421 0.706) 4.203 12.288 ( -3.204 12.282 0.199) 12.695 12.660 ( -0.852 -1.679 1.235) 2.252 14.168 ( -1.610 -3.517 -0.794) 3.948 14.818 ( 0.176 -10.552 0.341) 10.559 15.376 ( 0.499 8.186 0.620) 8.225 15.799 ( 0.465 12.040 0.435) 12.057 16.040 ( -0.635 3.277 -3.193) 4.619 16.359 ( -0.289 -11.492 0.786) 11.522 17.046 ( 1.069 0.667 1.243) 1.770 17.530 ( -0.106 -5.225 -0.111) 5.228 ======================= Grid point 21 (13/160) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 21.776 0.000) 21.776 1.958 ( 0.000 26.922 0.000) 26.922 2.284 ( 0.000 -10.866 0.000) 10.866 2.885 ( 0.000 -11.712 0.000) 11.712 3.029 ( 0.000 4.588 0.000) 4.588 3.193 ( 0.000 -4.621 0.000) 4.621 3.413 ( 0.000 1.922 0.000) 1.922 3.490 ( 0.000 35.407 0.000) 35.407 3.654 ( 0.000 -1.807 0.000) 1.807 3.693 ( 0.000 12.782 0.000) 12.782 3.941 ( 0.000 1.414 0.000) 1.414 3.975 ( 0.000 -0.162 0.000) 0.162 4.259 ( 0.000 -5.798 0.000) 5.798 4.360 ( 0.000 15.561 0.000) 15.561 4.414 ( 0.000 3.035 0.000) 3.035 4.780 ( 0.000 -4.462 0.000) 4.462 4.802 ( 0.000 -5.281 0.000) 5.281 4.915 ( 0.000 19.332 0.000) 19.332 5.009 ( 0.000 -3.099 0.000) 3.099 5.357 ( 0.000 14.553 0.000) 14.553 5.362 ( 0.000 9.665 0.000) 9.665 5.582 ( 0.000 8.575 0.000) 8.575 5.895 ( 0.000 -21.392 0.000) 21.392 5.908 ( 0.000 6.181 0.000) 6.181 6.064 ( 0.000 -9.406 0.000) 9.406 6.259 ( 0.000 -13.560 0.000) 13.560 6.312 ( 0.000 -12.788 0.000) 12.788 6.474 ( 0.000 -21.974 0.000) 21.974 6.795 ( 0.000 2.173 0.000) 2.173 6.863 ( 0.000 -0.788 0.000) 0.788 7.038 ( 0.000 -2.341 0.000) 2.341 7.137 ( 0.000 -5.059 0.000) 5.059 7.301 ( 0.000 4.889 0.000) 4.889 7.456 ( 0.000 -1.541 0.000) 1.541 7.663 ( 0.000 4.030 0.000) 4.030 7.772 ( 0.000 0.213 0.000) 0.213 7.818 ( 0.000 6.925 0.000) 6.925 7.857 ( 0.000 3.498 0.000) 3.498 7.895 ( 0.000 4.473 0.000) 4.473 8.159 ( 0.000 -2.169 0.000) 2.169 8.242 ( 0.000 -4.446 0.000) 4.446 8.255 ( 0.000 -8.679 0.000) 8.679 8.469 ( 0.000 2.357 0.000) 2.357 8.664 ( 0.000 -7.467 0.000) 7.467 8.838 ( 0.000 4.516 0.000) 4.516 9.106 ( 0.000 -2.814 0.000) 2.814 9.996 ( 0.000 1.671 0.000) 1.671 10.151 ( 0.000 -6.192 0.000) 6.192 11.326 ( 0.000 7.108 0.000) 7.108 11.384 ( 0.000 3.518 0.000) 3.518 12.592 ( 0.000 -3.277 0.000) 3.277 12.599 ( 0.000 -4.035 0.000) 4.035 14.483 ( 0.000 -2.072 0.000) 2.072 14.546 ( 0.000 -3.479 0.000) 3.479 15.534 ( 0.000 10.946 0.000) 10.946 15.909 ( 0.000 1.287 0.000) 1.287 16.122 ( 0.000 -4.768 0.000) 4.768 16.197 ( 0.000 -2.010 0.000) 2.010 17.041 ( 0.000 8.947 0.000) 8.947 17.401 ( 0.000 -7.322 0.000) 7.322 ======================= Grid point 22 (14/160) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.823 21.364 5.534) 22.590 1.977 ( 2.722 25.763 -1.974) 25.982 2.328 ( 2.931 -8.676 5.554) 10.710 2.845 ( -4.700 -10.947 -1.822) 12.052 2.960 ( -5.741 6.088 2.216) 8.656 3.186 ( -0.954 -7.039 1.290) 7.220 3.382 ( -2.610 12.954 0.986) 13.251 3.504 ( -9.235 9.829 -2.500) 13.716 3.544 ( -1.666 15.353 -1.200) 15.490 3.656 ( -3.188 -5.423 -1.801) 6.544 3.921 ( -3.518 3.476 4.274) 6.537 4.018 ( 3.826 0.838 -1.615) 4.237 4.147 ( -1.347 -1.369 -3.904) 4.350 4.331 ( 2.732 11.808 0.508) 12.131 4.549 ( -3.709 -1.812 5.121) 6.578 4.689 ( 2.194 9.334 2.603) 9.935 4.865 ( -0.050 -3.152 -0.902) 3.279 4.970 ( 8.336 16.851 -2.788) 19.005 5.134 ( 7.105 -1.183 -3.845) 8.165 5.365 ( 0.063 11.561 -3.442) 12.063 5.438 ( 5.725 9.514 0.231) 11.106 5.512 ( -1.791 8.510 -0.715) 8.726 5.883 ( -0.182 -12.585 -0.599) 12.601 5.950 ( 1.246 -3.224 3.523) 4.935 6.032 ( -2.712 -6.532 0.083) 7.073 6.107 ( -9.921 -9.484 1.320) 13.788 6.353 ( 0.726 -15.158 -2.820) 15.436 6.514 ( 4.218 -19.503 1.777) 20.032 6.755 ( -3.230 -1.422 4.845) 5.994 6.860 ( -3.323 -5.428 -2.345) 6.783 7.059 ( 4.085 -0.765 0.089) 4.157 7.177 ( 3.071 -3.214 -0.418) 4.465 7.310 ( 0.452 4.439 -0.196) 4.466 7.484 ( 1.631 -3.045 -0.213) 3.461 7.649 ( -1.139 5.922 1.369) 6.184 7.746 ( -1.639 2.912 2.187) 3.994 7.811 ( -0.403 4.150 0.126) 4.171 7.893 ( 4.867 2.825 -3.777) 6.777 7.959 ( 4.564 3.122 -1.315) 5.684 8.123 ( -5.949 -4.855 -0.797) 7.720 8.189 ( 2.979 -0.933 -2.104) 3.765 8.371 ( 6.003 -6.896 2.669) 9.524 8.466 ( -0.277 1.393 1.769) 2.268 8.664 ( -0.013 -7.808 1.995) 8.059 8.850 ( 1.246 4.134 -1.835) 4.692 9.084 ( -2.252 -1.655 -1.714) 3.278 9.953 ( -4.441 1.921 -0.383) 4.854 10.122 ( -2.725 -6.728 -1.195) 7.357 11.353 ( 2.570 7.190 2.010) 7.895 11.424 ( 3.798 2.777 -0.266) 4.713 12.548 ( -2.818 -1.246 -2.579) 4.018 12.613 ( -0.238 -4.651 4.160) 6.244 14.389 ( -6.783 1.820 -1.614) 7.205 14.587 ( 1.633 -6.876 0.860) 7.119 15.543 ( 0.833 10.987 0.852) 11.051 15.921 ( 1.261 1.588 -0.081) 2.029 16.113 ( -0.627 -3.767 -2.364) 4.492 16.187 ( -1.156 -3.058 0.134) 3.272 17.055 ( 1.236 7.865 1.287) 8.065 17.400 ( -0.079 -7.368 -0.130) 7.369 ======================= Grid point 23 (15/160) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 4.933 19.892 4.911) 21.075 2.069 ( 7.565 22.353 -1.900) 23.674 2.359 ( -0.607 -2.621 7.183) 7.670 2.730 ( -7.131 -2.205 0.401) 7.475 2.841 ( -7.799 -5.306 2.898) 9.868 3.175 ( -8.316 2.636 -2.833) 9.172 3.196 ( -7.688 3.704 0.731) 8.565 3.343 ( -3.848 -0.853 -3.557) 5.309 3.530 ( 0.191 0.365 -0.560) 0.695 3.652 ( 3.307 -3.664 3.637) 6.131 3.910 ( 0.611 4.455 0.529) 4.528 4.056 ( 0.041 -0.164 -1.251) 1.263 4.222 ( 6.909 6.088 -1.557) 9.339 4.401 ( -0.794 8.271 -0.498) 8.324 4.433 ( 0.155 6.107 1.154) 6.216 4.777 ( 4.885 8.836 1.708) 10.240 4.828 ( -3.739 -3.011 -0.024) 4.801 5.113 ( -1.683 9.388 -1.875) 9.721 5.128 ( -0.218 16.849 -1.957) 16.964 5.290 ( -2.322 12.857 0.233) 13.068 5.559 ( 4.624 1.552 -1.784) 5.194 5.593 ( 5.642 3.837 -6.972) 9.755 5.798 ( -10.470 -6.845 -0.387) 12.515 5.934 ( 1.667 2.755 0.011) 3.220 6.003 ( 1.890 -6.523 4.262) 8.018 6.104 ( 7.041 -9.518 6.139) 13.336 6.370 ( 1.536 -15.372 -4.469) 16.082 6.560 ( -1.421 -8.531 3.484) 9.324 6.707 ( -1.828 -9.583 1.632) 9.891 6.787 ( -3.075 -10.939 -1.663) 11.484 7.121 ( 1.890 -0.702 0.986) 2.244 7.218 ( 0.092 -3.300 1.086) 3.476 7.319 ( 1.107 1.919 -0.418) 2.255 7.470 ( -2.285 -1.950 -2.947) 4.208 7.652 ( 1.067 7.174 1.502) 7.407 7.732 ( -0.731 3.509 0.715) 3.654 7.815 ( 0.928 1.654 0.071) 1.898 7.977 ( -2.553 -2.098 -0.156) 3.308 8.011 ( 5.827 2.638 -1.099) 6.490 8.075 ( 2.462 0.396 -0.223) 2.503 8.257 ( 4.187 1.679 -3.744) 5.863 8.472 ( 4.519 -6.835 -1.971) 8.427 8.480 ( 1.843 -0.363 3.870) 4.301 8.682 ( 1.435 -8.643 7.092) 11.272 8.865 ( 0.477 3.472 -3.791) 5.162 9.019 ( -4.094 0.623 -2.505) 4.840 9.846 ( -6.350 2.720 -0.646) 6.938 10.064 ( -2.870 -8.093 -1.197) 8.669 11.416 ( 3.416 7.120 1.983) 8.142 11.501 ( 4.025 1.627 -0.151) 4.344 12.490 ( -2.840 1.762 -1.169) 3.541 12.605 ( -1.079 -4.544 3.146) 5.632 14.268 ( -5.477 4.745 -1.418) 7.384 14.598 ( -0.228 -9.558 0.486) 9.573 15.564 ( 1.103 11.089 1.051) 11.193 15.953 ( 2.137 2.739 -0.056) 3.474 16.097 ( -0.615 -2.415 -2.623) 3.618 16.155 ( -2.251 -5.138 0.039) 5.609 17.083 ( 1.313 5.946 1.391) 6.246 17.398 ( -0.163 -7.399 -0.147) 7.402 ======================= Grid point 24 (16/160) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.769 16.311 1.170) 16.371 2.236 ( 10.687 16.843 -3.474) 20.248 2.381 ( -0.440 3.553 8.643) 9.355 2.558 ( -7.830 8.858 -0.313) 11.827 2.704 ( -7.376 -17.539 -0.618) 19.037 2.935 ( -6.638 14.384 -1.018) 15.874 3.225 ( 1.717 -13.194 1.557) 13.396 3.297 ( -0.856 -5.694 -2.729) 6.372 3.556 ( 1.458 3.041 -0.032) 3.372 3.751 ( 6.134 -2.836 4.811) 8.295 3.871 ( -4.883 -2.480 -3.431) 6.463 4.056 ( 0.512 -3.576 0.009) 3.612 4.262 ( -2.477 10.808 0.965) 11.130 4.408 ( 5.691 13.014 -1.869) 14.327 4.535 ( 4.499 5.145 -1.032) 6.912 4.726 ( -6.171 -2.355 0.559) 6.628 4.856 ( 2.829 6.887 0.880) 7.497 4.974 ( -4.987 16.674 0.602) 17.415 5.191 ( 3.114 9.217 -0.726) 9.756 5.267 ( -2.020 14.395 -2.629) 14.772 5.493 ( -5.002 12.993 0.850) 13.949 5.684 ( 1.010 -5.883 -1.319) 6.113 5.695 ( 0.135 -5.868 -1.713) 6.114 5.916 ( -1.130 -6.661 0.741) 6.797 6.166 ( 9.848 3.822 1.373) 10.652 6.264 ( 7.157 -1.152 5.419) 9.050 6.368 ( -1.474 -13.512 -4.826) 14.423 6.470 ( -6.817 1.130 0.855) 6.963 6.702 ( 0.597 -15.977 3.933) 16.465 6.744 ( -1.577 -20.265 -3.705) 20.661 7.137 ( -0.152 -0.580 0.100) 0.607 7.200 ( -0.817 -2.275 1.074) 2.645 7.341 ( 0.751 -0.133 0.836) 1.131 7.426 ( -1.360 -2.511 -2.638) 3.887 7.673 ( 0.652 7.216 0.521) 7.264 7.717 ( -0.696 3.846 0.470) 3.937 7.843 ( 2.143 1.008 -2.201) 3.233 7.907 ( -3.555 -1.312 2.830) 4.730 8.102 ( 2.897 0.992 -1.318) 3.334 8.127 ( 1.690 2.361 0.728) 2.993 8.311 ( 1.944 1.153 -1.633) 2.788 8.523 ( 1.548 -7.367 -3.946) 8.500 8.540 ( 2.793 -0.760 3.141) 4.271 8.732 ( 1.628 -8.467 6.879) 11.030 8.851 ( -0.809 3.475 -3.506) 5.002 8.945 ( -2.637 1.583 -1.735) 3.532 9.748 ( -3.207 3.621 -0.388) 4.852 10.023 ( -1.178 -9.187 -0.432) 9.272 11.468 ( 1.542 6.998 0.774) 7.208 11.557 ( 1.651 0.945 -0.063) 1.903 12.450 ( -1.212 3.894 -0.274) 4.087 12.592 ( -0.583 -4.233 1.157) 4.427 14.195 ( -1.996 5.656 -0.562) 6.025 14.591 ( -0.337 -10.912 0.153) 10.919 15.582 ( 0.517 11.196 0.472) 11.218 15.992 ( 1.620 5.549 0.045) 5.781 16.085 ( -0.265 -1.004 -1.330) 1.687 16.114 ( -1.712 -9.143 0.171) 9.304 17.102 ( 0.527 4.772 0.560) 4.833 17.395 ( -0.094 -7.361 -0.062) 7.362 ======================= Grid point 28 (17/160) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.000 -16.641 0.000) 16.641 1.997 ( 0.000 16.641 0.000) 16.641 2.483 ( 0.000 -23.007 0.000) 23.007 2.483 ( 0.000 23.007 0.000) 23.007 3.125 ( 0.000 -3.757 0.000) 3.757 3.125 ( 0.000 3.757 0.000) 3.757 3.481 ( 0.000 -5.290 0.000) 5.290 3.481 ( 0.000 5.290 0.000) 5.290 3.949 ( 0.000 -3.207 0.000) 3.207 3.949 ( 0.000 3.207 0.000) 3.207 3.956 ( 0.000 -6.333 0.000) 6.333 3.956 ( 0.000 6.333 0.000) 6.333 4.312 ( 0.000 -17.029 0.000) 17.029 4.312 ( 0.000 17.029 0.000) 17.029 4.695 ( 0.000 -0.821 0.000) 0.821 4.695 ( 0.000 0.821 0.000) 0.821 4.791 ( 0.000 -17.661 0.000) 17.661 4.791 ( 0.000 17.661 0.000) 17.661 5.253 ( 0.000 -17.013 0.000) 17.013 5.253 ( 0.000 17.013 0.000) 17.013 5.719 ( 0.000 -5.064 0.000) 5.064 5.719 ( 0.000 5.064 0.000) 5.064 5.805 ( 0.000 -13.056 0.000) 13.056 5.805 ( 0.000 13.056 0.000) 13.056 6.020 ( 0.000 -12.138 0.000) 12.138 6.020 ( 0.000 12.138 0.000) 12.138 6.127 ( 0.000 -4.661 0.000) 4.661 6.127 ( 0.000 4.661 0.000) 4.661 6.843 ( 0.000 -1.757 0.000) 1.757 6.843 ( 0.000 1.757 0.000) 1.757 7.043 ( 0.000 -2.868 0.000) 2.868 7.043 ( 0.000 2.868 0.000) 2.868 7.396 ( 0.000 -3.931 0.000) 3.931 7.396 ( 0.000 3.931 0.000) 3.931 7.740 ( 0.000 -2.775 0.000) 2.775 7.740 ( 0.000 2.775 0.000) 2.775 7.918 ( 0.000 -2.494 0.000) 2.494 7.918 ( 0.000 2.494 0.000) 2.494 8.038 ( 0.000 -10.857 0.000) 10.857 8.038 ( 0.000 10.857 0.000) 10.857 8.160 ( 0.000 -2.659 0.000) 2.659 8.160 ( 0.000 2.659 0.000) 2.659 8.535 ( 0.000 -4.380 0.000) 4.380 8.535 ( 0.000 4.380 0.000) 4.380 8.987 ( 0.000 -7.879 0.000) 7.879 8.987 ( 0.000 7.879 0.000) 7.879 10.047 ( 0.000 -3.520 0.000) 3.520 10.047 ( 0.000 3.520 0.000) 3.520 11.418 ( 0.000 -1.155 0.000) 1.155 11.418 ( 0.000 1.155 0.000) 1.155 12.551 ( 0.000 -0.053 0.000) 0.053 12.551 ( 0.000 0.053 0.000) 0.053 14.486 ( 0.000 -1.912 0.000) 1.912 14.486 ( 0.000 1.912 0.000) 1.912 15.770 ( 0.000 -10.866 0.000) 10.866 15.770 ( 0.000 10.866 0.000) 10.866 16.141 ( 0.000 -3.234 0.000) 3.234 16.141 ( 0.000 3.234 0.000) 3.234 17.230 ( 0.000 -8.821 0.000) 8.821 17.230 ( 0.000 8.821 0.000) 8.821 ======================= Grid point 30 (18/160) ======================= q-point: ( 0.14 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 4.477 -16.174 5.075) 17.533 2.047 ( 4.477 16.174 5.075) 17.533 2.489 ( 0.532 -20.906 -1.806) 20.991 2.489 ( 0.532 20.906 -1.806) 20.991 3.069 ( -5.686 -5.088 2.001) 7.888 3.069 ( -5.686 5.088 2.001) 7.888 3.490 ( 0.577 -4.897 0.240) 4.937 3.490 ( 0.577 4.897 0.240) 4.937 3.709 ( -18.424 -5.004 -3.068) 19.336 3.709 ( -18.424 5.004 -3.068) 19.336 3.982 ( 1.449 -2.980 1.077) 3.484 3.982 ( 1.449 2.980 1.077) 3.484 4.349 ( 3.334 -14.494 -1.297) 14.929 4.349 ( 3.334 14.494 -1.297) 14.929 4.645 ( -2.815 -11.719 4.172) 12.754 4.645 ( -2.815 11.719 4.172) 12.754 4.975 ( 11.137 -12.714 -3.735) 17.310 4.975 ( 11.137 12.714 -3.735) 17.310 5.336 ( 9.936 -19.431 -0.452) 21.828 5.336 ( 9.936 19.431 -0.452) 21.828 5.640 ( -6.840 -1.041 -2.021) 7.208 5.640 ( -6.840 1.041 -2.021) 7.208 5.797 ( -1.171 -12.680 -2.212) 12.925 5.797 ( -1.171 12.680 -2.212) 12.925 5.992 ( -2.028 -13.677 1.542) 13.912 5.992 ( -2.028 13.677 1.542) 13.912 6.179 ( 4.130 -9.641 2.801) 10.856 6.179 ( 4.130 9.641 2.801) 10.856 6.769 ( -5.982 -2.913 1.808) 6.895 6.769 ( -5.982 2.913 1.808) 6.895 7.102 ( 4.014 -3.487 -1.001) 5.410 7.102 ( 4.014 3.487 -1.001) 5.410 7.404 ( 0.487 -4.293 -0.233) 4.327 7.404 ( 0.487 4.293 -0.233) 4.327 7.737 ( -0.111 -2.542 2.476) 3.550 7.737 ( -0.111 2.542 2.476) 3.550 7.940 ( 1.212 -1.986 -8.372) 8.689 7.940 ( 1.212 1.986 -8.372) 8.689 8.003 ( -1.041 -4.209 4.842) 6.499 8.003 ( -1.041 4.209 4.842) 6.499 8.230 ( 5.767 -5.193 0.023) 7.760 8.230 ( 5.767 5.193 0.023) 7.760 8.524 ( -1.020 -4.610 2.095) 5.166 8.524 ( -1.020 4.610 2.095) 5.166 8.986 ( -0.129 -6.995 -1.493) 7.154 8.986 ( -0.129 6.995 -1.493) 7.154 10.009 ( -3.785 -3.808 -0.553) 5.397 10.009 ( -3.785 3.808 -0.553) 5.397 11.447 ( 2.910 -1.433 0.499) 3.282 11.447 ( 2.910 1.433 0.499) 3.282 12.543 ( -0.847 -1.472 0.638) 1.814 12.543 ( -0.847 1.472 0.638) 1.814 14.462 ( -2.361 -4.923 -0.279) 5.467 14.462 ( -2.361 4.923 -0.279) 5.467 15.781 ( 1.090 -11.025 0.378) 11.085 15.781 ( 1.090 11.025 0.378) 11.085 16.132 ( -0.825 -2.979 -0.776) 3.187 16.132 ( -0.825 2.979 -0.776) 3.187 17.231 ( 0.079 -8.550 0.243) 8.554 17.231 ( 0.079 8.550 0.243) 8.554 ======================= Grid point 32 (19/160) ======================= q-point: ( 0.29 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 4.695 -15.850 6.616) 17.806 2.150 ( 4.695 15.850 6.616) 17.806 2.480 ( -1.362 -14.530 -3.040) 14.907 2.480 ( -1.362 14.530 -3.040) 14.907 2.954 ( -6.358 -10.027 3.782) 12.461 2.954 ( -6.358 10.027 3.782) 12.461 3.334 ( -13.467 -1.026 -4.822) 14.341 3.334 ( -13.467 1.026 -4.822) 14.341 3.579 ( 3.197 -4.510 1.540) 5.739 3.579 ( 3.197 4.510 1.540) 5.739 3.981 ( -2.255 -4.089 1.825) 5.013 3.981 ( -2.255 4.089 1.825) 5.013 4.417 ( 3.707 -6.466 -2.769) 7.951 4.417 ( 3.707 6.466 -2.769) 7.951 4.618 ( -0.188 -10.436 2.322) 10.692 4.618 ( -0.188 10.436 2.322) 10.692 5.088 ( 2.792 -13.484 -2.485) 13.993 5.088 ( 2.792 13.484 -2.485) 13.993 5.464 ( -6.103 -11.145 -2.972) 13.050 5.464 ( -6.103 11.145 -2.972) 13.050 5.590 ( 6.891 -13.858 -0.889) 15.502 5.590 ( 6.891 13.858 -0.889) 15.502 5.769 ( 1.450 -8.753 0.325) 8.878 5.769 ( 1.450 8.753 0.325) 8.878 6.003 ( 3.168 -16.634 0.156) 16.934 6.003 ( 3.168 16.634 0.156) 16.934 6.258 ( 3.863 -13.804 3.060) 14.657 6.258 ( 3.863 13.804 3.060) 14.657 6.659 ( -6.351 -1.777 1.463) 6.755 6.659 ( -6.351 1.777 1.463) 6.755 7.149 ( 1.047 -2.748 0.448) 2.974 7.149 ( 1.047 2.748 0.448) 2.974 7.395 ( -1.258 -4.279 -1.448) 4.690 7.395 ( -1.258 4.279 -1.448) 4.690 7.753 ( 1.377 -2.183 0.541) 2.637 7.753 ( 1.377 2.183 0.541) 2.637 7.902 ( -2.641 -5.240 0.055) 5.868 7.902 ( -2.641 5.240 0.055) 5.868 8.062 ( 4.886 -1.773 -1.205) 5.336 8.062 ( 4.886 1.773 -1.205) 5.336 8.335 ( 4.793 -5.517 -3.042) 7.916 8.335 ( 4.793 5.517 -3.042) 7.916 8.523 ( 1.004 -5.098 5.967) 7.912 8.523 ( 1.004 5.098 5.967) 7.912 8.969 ( -1.540 -4.831 -2.667) 5.729 8.969 ( -1.540 4.831 -2.667) 5.729 9.923 ( -4.777 -5.050 -0.571) 6.974 9.923 ( -4.777 5.050 -0.571) 6.974 11.512 ( 3.451 -1.661 0.512) 3.864 11.512 ( 3.451 1.661 0.512) 3.864 12.525 ( -1.104 -2.557 0.827) 2.905 12.525 ( -1.104 2.557 0.827) 2.905 14.410 ( -2.858 -8.253 -0.358) 8.741 14.410 ( -2.858 8.253 -0.358) 8.741 15.808 ( 1.565 -11.581 0.579) 11.700 15.808 ( 1.565 11.581 0.579) 11.700 16.110 ( -1.267 -2.260 -1.057) 2.798 16.110 ( -1.267 2.260 -1.057) 2.798 17.233 ( 0.101 -7.942 0.295) 7.948 17.233 ( 0.101 7.942 0.295) 7.948 ======================= Grid point 34 (20/160) ======================= q-point: ( 0.43 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.806 -19.874 2.882) 20.098 2.211 ( 0.806 19.874 2.882) 20.098 2.449 ( -0.739 -4.684 -1.473) 4.965 2.449 ( -0.739 4.684 -1.473) 4.965 2.866 ( -3.250 -18.314 2.158) 18.725 2.866 ( -3.250 18.314 2.158) 18.725 3.172 ( -3.417 -7.097 -2.425) 8.241 3.172 ( -3.417 7.097 -2.425) 8.241 3.656 ( 3.485 -5.697 1.146) 6.776 3.656 ( 3.485 5.697 1.146) 6.776 3.920 ( -3.315 -6.352 0.314) 7.172 3.920 ( -3.315 6.352 0.314) 7.172 4.455 ( 0.835 -6.571 -1.106) 6.715 4.455 ( 0.835 6.571 -1.106) 6.715 4.648 ( 1.948 -6.387 1.019) 6.755 4.648 ( 1.948 6.387 1.019) 6.755 5.105 ( -0.039 -11.651 -1.875) 11.801 5.105 ( -0.039 11.651 -1.875) 11.801 5.340 ( -4.336 -12.863 -0.709) 13.593 5.340 ( -4.336 12.863 -0.709) 13.593 5.618 ( -0.634 -2.211 -0.514) 2.357 5.618 ( -0.634 2.211 -0.514) 2.357 5.869 ( 4.255 -19.191 1.551) 19.718 5.869 ( 4.255 19.191 1.551) 19.718 6.069 ( 2.504 -17.098 -1.472) 17.343 6.069 ( 2.504 17.098 -1.472) 17.343 6.362 ( 7.608 -8.087 1.555) 11.212 6.362 ( 7.608 8.087 1.555) 11.212 6.528 ( -8.164 -2.400 0.688) 8.537 6.528 ( -8.164 2.400 0.688) 8.537 7.151 ( -0.371 -1.862 0.432) 1.947 7.151 ( -0.371 1.862 0.432) 1.947 7.370 ( -0.813 -2.466 -1.006) 2.784 7.370 ( -0.813 2.466 -1.006) 2.784 7.775 ( 0.709 -1.063 -0.536) 1.386 7.775 ( 0.709 1.063 -0.536) 1.386 7.867 ( -1.088 -2.204 1.153) 2.715 7.867 ( -1.088 2.204 1.153) 2.715 8.136 ( 2.557 -1.331 -0.390) 2.909 8.136 ( 2.557 1.331 -0.390) 2.909 8.373 ( 0.538 -5.602 -2.567) 6.186 8.373 ( 0.538 5.602 -2.567) 6.186 8.586 ( 3.124 -4.909 4.307) 7.239 8.586 ( 3.124 4.909 4.307) 7.239 8.926 ( -1.952 -2.923 -2.013) 4.051 8.926 ( -1.952 2.923 -2.013) 4.051 9.853 ( -2.167 -6.619 -0.208) 6.967 9.853 ( -2.167 6.619 -0.208) 6.967 11.561 ( 1.492 -1.630 0.192) 2.218 11.561 ( 1.492 1.630 0.192) 2.218 12.510 ( -0.512 -3.092 0.381) 3.157 12.510 ( -0.512 3.092 0.381) 3.157 14.368 ( -1.244 -10.029 -0.163) 10.107 14.368 ( -1.244 10.029 -0.163) 10.107 15.833 ( 0.818 -12.401 0.320) 12.432 15.833 ( 0.818 12.401 0.320) 12.432 16.088 ( -0.695 -1.741 -0.527) 1.947 16.088 ( -0.695 1.741 -0.527) 1.947 17.235 ( 0.046 -7.452 0.128) 7.454 17.235 ( 0.046 7.452 0.128) 7.454 ======================= Grid point 63 (21/160) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -4.989 0.000 26.628) 27.091 0.591 ( -9.039 0.000 29.740) 31.084 1.000 ( 0.311 0.000 49.727) 49.728 2.691 ( 2.258 0.000 10.855) 11.087 2.888 ( 1.567 0.000 -11.540) 11.646 2.983 ( 0.355 0.000 -0.715) 0.798 3.052 ( 3.564 0.000 1.216) 3.766 3.295 ( -1.628 0.000 12.877) 12.980 3.439 ( 5.129 0.000 0.538) 5.158 3.612 ( 11.320 0.000 8.510) 14.162 3.766 ( 12.805 0.000 -5.459) 13.920 4.007 ( -1.696 0.000 -4.466) 4.777 4.095 ( -5.998 0.000 0.986) 6.078 4.260 ( -0.373 0.000 13.153) 13.158 4.439 ( -2.912 0.000 5.125) 5.894 4.527 ( -0.405 0.000 -4.170) 4.189 4.585 ( 0.718 0.000 -1.497) 1.661 4.645 ( -0.258 0.000 -10.149) 10.152 4.971 ( -2.434 0.000 1.663) 2.948 5.176 ( 14.796 0.000 2.522) 15.010 5.432 ( -7.933 0.000 1.535) 8.080 5.556 ( -3.763 0.000 -3.996) 5.489 5.811 ( 10.046 0.000 -2.739) 10.413 6.246 ( 18.592 0.000 1.191) 18.630 6.249 ( 0.457 0.000 -14.170) 14.177 6.319 ( -9.466 0.000 1.938) 9.662 6.591 ( -4.070 0.000 4.782) 6.280 6.839 ( 6.196 0.000 -4.129) 7.446 7.006 ( -11.431 0.000 -1.475) 11.525 7.064 ( -3.442 0.000 0.906) 3.559 7.121 ( -4.110 0.000 1.934) 4.542 7.194 ( 4.103 0.000 1.018) 4.228 7.296 ( 8.200 0.000 -4.633) 9.418 7.436 ( 2.479 0.000 -0.074) 2.480 7.573 ( 0.938 0.000 4.702) 4.795 7.593 ( -5.123 0.000 4.512) 6.827 7.901 ( 0.969 0.000 -4.381) 4.487 8.051 ( -0.916 0.000 -2.033) 2.230 8.140 ( 0.220 0.000 -3.638) 3.645 8.223 ( 0.995 0.000 -14.337) 14.371 8.267 ( -32.733 0.000 -1.296) 32.758 8.383 ( -0.810 0.000 -4.493) 4.565 8.599 ( 4.756 0.000 1.322) 4.936 8.748 ( 3.383 0.000 -6.021) 6.906 8.827 ( 2.518 0.000 3.991) 4.719 9.129 ( 1.124 0.000 10.736) 10.794 9.396 ( -4.772 0.000 12.879) 13.735 10.649 ( -11.133 0.000 -4.364) 11.958 10.975 ( -2.417 0.000 2.176) 3.252 11.758 ( -0.348 0.000 0.519) 0.625 12.671 ( -0.094 0.000 -2.781) 2.782 13.644 ( 63.326 0.000 -3.777) 63.438 14.483 ( 0.582 0.000 2.881) 2.939 14.785 ( -63.933 0.000 -2.768) 63.993 15.113 ( -2.260 0.000 -1.797) 2.887 15.182 ( 10.500 0.000 -0.845) 10.534 15.302 ( 1.697 0.000 4.778) 5.070 16.620 ( 1.573 0.000 -6.797) 6.977 16.995 ( 17.497 0.000 6.148) 18.546 17.628 ( 0.127 0.000 -1.066) 1.074 ======================= Grid point 64 (22/160) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 18.245 0.000 14.528) 23.322 0.676 ( 12.293 0.000 21.520) 24.784 1.391 ( 24.443 0.000 39.239) 46.229 2.706 ( -2.606 0.000 13.439) 13.690 2.765 ( -17.594 0.000 2.031) 17.711 2.860 ( -1.169 0.000 -9.338) 9.411 3.230 ( 9.821 0.000 0.506) 9.834 3.311 ( 2.324 0.000 9.814) 10.085 3.425 ( -6.867 0.000 4.068) 7.982 3.722 ( -1.614 0.000 3.181) 3.567 3.948 ( 5.018 0.000 5.576) 7.501 3.980 ( -0.158 0.000 -6.155) 6.157 4.148 ( 11.308 0.000 -4.692) 12.243 4.275 ( -0.892 0.000 13.829) 13.857 4.397 ( -2.503 0.000 1.667) 3.007 4.462 ( -7.642 0.000 -3.982) 8.617 4.540 ( -4.881 0.000 -11.223) 12.239 4.604 ( 3.734 0.000 -1.357) 3.972 4.992 ( 5.071 0.000 -1.915) 5.420 5.341 ( -2.255 0.000 4.090) 4.671 5.395 ( 4.005 0.000 -3.050) 5.034 5.490 ( -2.252 0.000 -6.100) 6.502 5.857 ( -10.188 0.000 -4.039) 10.960 6.007 ( -6.244 0.000 6.249) 8.834 6.187 ( -4.237 0.000 -14.878) 15.470 6.618 ( 2.814 0.000 6.747) 7.310 6.776 ( -12.740 0.000 -0.988) 12.778 6.798 ( 19.870 0.000 -6.936) 21.046 6.914 ( 2.261 0.000 -6.441) 6.826 7.016 ( -5.171 0.000 -3.388) 6.183 7.030 ( 1.117 0.000 -0.760) 1.351 7.301 ( 7.241 0.000 0.861) 7.292 7.317 ( -5.869 0.000 4.671) 7.500 7.419 ( 2.064 0.000 3.576) 4.129 7.515 ( -1.260 0.000 -0.803) 1.494 7.787 ( -1.016 0.000 3.764) 3.898 7.854 ( 8.305 0.000 4.502) 9.446 7.890 ( -1.237 0.000 -3.569) 3.777 8.062 ( 2.561 0.000 -2.050) 3.280 8.093 ( -3.673 0.000 -4.211) 5.588 8.253 ( 2.023 0.000 -8.148) 8.396 8.373 ( 1.845 0.000 -7.229) 7.461 8.672 ( 2.933 0.000 -0.546) 2.984 8.808 ( 2.237 0.000 -4.874) 5.363 8.848 ( -1.938 0.000 5.465) 5.799 9.234 ( 4.418 0.000 0.977) 4.525 9.358 ( -0.963 0.000 11.779) 11.818 10.486 ( -5.722 0.000 6.651) 8.773 11.004 ( 3.594 0.000 0.410) 3.617 11.755 ( -0.034 0.000 0.347) 0.349 12.649 ( -1.601 0.000 -3.032) 3.429 12.995 ( -51.042 0.000 37.748) 63.484 14.489 ( -0.542 0.000 3.158) 3.204 14.885 ( 13.486 0.000 -27.314) 30.462 15.085 ( -0.319 0.000 -1.754) 1.783 15.341 ( 1.515 0.000 4.843) 5.075 15.544 ( 20.817 0.000 -4.006) 21.199 16.615 ( -0.268 0.000 -7.363) 7.368 17.187 ( 2.475 0.000 -0.754) 2.587 17.626 ( -0.146 0.000 -1.131) 1.141 ======================= Grid point 65 (23/160) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 20.678 0.000 12.430) 24.126 1.103 ( 28.274 0.000 6.764) 29.071 1.860 ( 16.290 0.000 18.367) 24.550 2.402 ( -21.018 0.000 4.071) 21.408 2.652 ( -1.937 0.000 19.847) 19.941 2.860 ( 1.921 0.000 -7.306) 7.554 3.243 ( -10.814 0.000 0.844) 10.847 3.379 ( 4.202 0.000 2.222) 4.753 3.411 ( 5.913 0.000 6.666) 8.910 3.642 ( -5.847 0.000 5.468) 8.005 3.971 ( -0.249 0.000 -6.630) 6.635 4.025 ( 0.274 0.000 5.738) 5.745 4.264 ( -2.356 0.000 10.807) 11.061 4.276 ( 1.216 0.000 -1.423) 1.872 4.335 ( -1.098 0.000 -7.480) 7.560 4.366 ( -2.814 0.000 1.698) 3.286 4.432 ( -4.724 0.000 -10.904) 11.884 4.713 ( 7.101 0.000 -1.871) 7.344 5.138 ( -17.077 0.000 6.179) 18.160 5.155 ( 12.824 0.000 -5.042) 13.779 5.452 ( -0.940 0.000 -3.429) 3.555 5.521 ( 8.369 0.000 -0.555) 8.387 5.594 ( -9.919 0.000 -1.030) 9.972 6.055 ( 4.316 0.000 6.730) 7.995 6.060 ( -6.254 0.000 -14.488) 15.781 6.552 ( -10.618 0.000 -0.410) 10.626 6.620 ( -8.187 0.000 7.724) 11.255 6.830 ( -1.141 0.000 -0.281) 1.175 6.923 ( 0.993 0.000 -5.547) 5.635 7.082 ( 5.755 0.000 -4.367) 7.224 7.098 ( 5.542 0.000 -3.669) 6.646 7.269 ( -0.676 0.000 5.641) 5.682 7.360 ( -4.991 0.000 9.224) 10.488 7.460 ( 8.512 0.000 -0.941) 8.564 7.543 ( 0.834 0.000 -2.719) 2.844 7.838 ( 7.248 0.000 -4.526) 8.545 7.849 ( -2.726 0.000 -2.900) 3.980 7.991 ( 1.847 0.000 0.245) 1.863 8.013 ( -3.704 0.000 -2.289) 4.354 8.233 ( 13.403 0.000 0.554) 13.414 8.255 ( -0.230 0.000 -1.903) 1.917 8.422 ( 4.124 0.000 -11.639) 12.348 8.709 ( 1.329 0.000 -2.226) 2.592 8.771 ( -6.311 0.000 1.280) 6.439 8.819 ( -0.224 0.000 -2.405) 2.416 9.261 ( -0.044 0.000 -5.277) 5.277 9.398 ( 2.412 0.000 13.860) 14.068 10.455 ( 0.393 0.000 10.273) 10.280 11.070 ( 2.989 0.000 -0.935) 3.132 11.758 ( 0.266 0.000 0.409) 0.488 12.383 ( -25.250 0.000 26.956) 36.935 12.610 ( -1.737 0.000 -3.109) 3.561 14.475 ( -1.289 0.000 2.201) 2.551 14.991 ( 4.822 0.000 -20.713) 21.267 15.093 ( 1.197 0.000 -0.120) 1.203 15.369 ( 0.496 0.000 4.132) 4.162 15.810 ( 9.849 0.000 -0.065) 9.849 16.593 ( -0.633 0.000 -7.969) 7.994 17.172 ( -2.693 0.000 1.885) 3.287 17.620 ( -0.225 0.000 -1.277) 1.296 ======================= Grid point 66 (24/160) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 19.274 0.000 9.319) 21.408 1.556 ( 12.631 0.000 12.323) 17.646 1.940 ( -1.223 0.000 -3.367) 3.582 2.042 ( -17.139 0.000 6.724) 18.411 2.789 ( 3.650 0.000 15.659) 16.079 2.891 ( 3.916 0.000 -1.608) 4.233 3.049 ( -8.966 0.000 -2.015) 9.190 3.399 ( -1.841 0.000 -1.257) 2.229 3.488 ( 2.042 0.000 8.419) 8.663 3.594 ( -1.056 0.000 6.090) 6.181 3.916 ( -3.954 0.000 -2.704) 4.790 3.955 ( -5.587 0.000 -3.652) 6.675 4.173 ( -6.946 0.000 2.908) 7.530 4.252 ( -4.190 0.000 -5.152) 6.641 4.285 ( -1.422 0.000 7.395) 7.531 4.388 ( 6.735 0.000 0.136) 6.737 4.413 ( 1.432 0.000 -4.348) 4.578 4.815 ( 3.498 0.000 -2.305) 4.189 4.920 ( -5.756 0.000 -0.071) 5.757 5.410 ( 14.135 0.000 -4.047) 14.703 5.441 ( -3.486 0.000 -5.221) 6.278 5.463 ( -1.602 0.000 4.083) 4.386 5.631 ( 0.215 0.000 2.673) 2.682 5.957 ( 0.062 0.000 -11.226) 11.226 6.163 ( 6.362 0.000 4.540) 7.816 6.375 ( -16.034 0.000 2.657) 16.253 6.411 ( -3.834 0.000 1.262) 4.036 6.874 ( 2.868 0.000 4.416) 5.266 6.939 ( 1.338 0.000 -5.897) 6.046 7.128 ( 0.713 0.000 -2.952) 3.037 7.208 ( 6.117 0.000 -4.034) 7.327 7.285 ( -3.725 0.000 6.447) 7.446 7.304 ( 2.528 0.000 6.549) 7.020 7.505 ( -3.743 0.000 -0.269) 3.753 7.615 ( 7.633 0.000 -1.033) 7.703 7.767 ( -5.928 0.000 -2.304) 6.360 7.962 ( 5.716 0.000 -3.723) 6.821 7.981 ( 1.092 0.000 1.462) 1.825 8.009 ( 1.034 0.000 -0.839) 1.332 8.244 ( -0.855 0.000 -2.026) 2.199 8.420 ( 5.127 0.000 3.821) 6.394 8.467 ( 2.635 0.000 -10.596) 10.919 8.642 ( -6.178 0.000 -7.352) 9.603 8.722 ( 0.382 0.000 -1.637) 1.681 8.795 ( -1.823 0.000 -1.775) 2.545 9.261 ( 2.179 0.000 -8.436) 8.713 9.469 ( 1.999 0.000 16.262) 16.384 10.524 ( 4.622 0.000 15.238) 15.923 11.098 ( 0.144 0.000 -2.812) 2.816 11.764 ( 0.316 0.000 0.655) 0.728 12.048 ( -16.060 0.000 14.848) 21.872 12.584 ( -0.384 0.000 -2.978) 3.002 14.455 ( -1.079 0.000 0.981) 1.459 15.027 ( 2.723 0.000 -17.660) 17.868 15.122 ( 1.555 0.000 1.879) 2.439 15.370 ( -0.991 0.000 2.941) 3.104 15.957 ( 6.391 0.000 5.035) 8.136 16.568 ( -0.526 0.000 -8.976) 8.991 17.115 ( -3.704 0.000 1.208) 3.896 17.615 ( -0.051 0.000 -1.393) 1.393 ======================= Grid point 67 (25/160) ======================= q-point: (-0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -22.284 0.000 4.311) 22.698 1.531 ( -14.126 0.000 13.244) 19.363 2.018 ( 16.465 0.000 5.768) 17.446 2.148 ( 16.083 0.000 2.421) 16.264 2.573 ( -26.483 0.000 11.659) 28.936 2.930 ( -0.010 0.000 -2.121) 2.121 2.937 ( -1.566 0.000 -6.764) 6.942 3.332 ( -4.180 0.000 -4.620) 6.231 3.443 ( -8.654 0.000 4.592) 9.797 3.653 ( 4.150 0.000 11.071) 11.823 3.841 ( -5.848 0.000 -7.983) 9.896 4.015 ( 9.421 0.000 2.734) 9.809 4.162 ( -2.847 0.000 -6.823) 7.393 4.174 ( 11.493 0.000 0.294) 11.497 4.286 ( -0.882 0.000 12.307) 12.338 4.446 ( 3.950 0.000 -6.822) 7.883 4.507 ( 5.091 0.000 2.330) 5.599 4.821 ( -2.576 0.000 -1.907) 3.205 4.860 ( -2.825 0.000 -1.305) 3.112 5.334 ( -4.452 0.000 -1.115) 4.589 5.503 ( -11.676 0.000 -0.773) 11.702 5.529 ( 6.493 0.000 -1.115) 6.588 5.629 ( 9.369 0.000 -0.859) 9.408 6.039 ( 7.016 0.000 -2.849) 7.572 6.087 ( -14.721 0.000 0.512) 14.730 6.297 ( 7.006 0.000 1.477) 7.160 6.426 ( 4.695 0.000 2.385) 5.266 6.918 ( 1.159 0.000 4.935) 5.069 6.951 ( 1.484 0.000 -6.914) 7.071 7.135 ( 0.803 0.000 -1.411) 1.624 7.169 ( -5.260 0.000 0.539) 5.288 7.341 ( -0.682 0.000 7.490) 7.521 7.347 ( 1.653 0.000 3.499) 3.870 7.458 ( 2.257 0.000 -2.622) 3.460 7.622 ( -8.648 0.000 -1.781) 8.829 7.736 ( 5.483 0.000 -1.560) 5.700 7.992 ( -0.761 0.000 -0.780) 1.089 8.058 ( 5.825 0.000 4.041) 7.090 8.069 ( 4.342 0.000 -1.709) 4.667 8.209 ( -2.143 0.000 -3.013) 3.697 8.420 ( -5.762 0.000 6.223) 8.481 8.483 ( 0.371 0.000 -12.554) 12.559 8.528 ( -3.997 0.000 -7.385) 8.397 8.725 ( 0.544 0.000 -3.889) 3.927 8.766 ( -0.193 0.000 -3.120) 3.126 9.322 ( 5.422 0.000 -8.724) 10.272 9.514 ( -0.286 0.000 17.586) 17.588 10.679 ( 8.965 0.000 22.240) 23.979 11.065 ( -2.790 0.000 -5.193) 5.895 11.770 ( 0.082 0.000 0.895) 0.899 11.805 ( -12.758 0.000 7.364) 14.731 12.590 ( 1.476 0.000 -2.716) 3.091 14.442 ( -0.286 0.000 0.323) 0.432 15.039 ( 1.783 0.000 -15.389) 15.492 15.153 ( 1.250 0.000 3.496) 3.713 15.342 ( -2.396 0.000 1.490) 2.821 16.080 ( 5.817 0.000 7.997) 9.889 16.544 ( -0.400 0.000 -10.840) 10.847 17.036 ( -4.969 0.000 -1.057) 5.080 17.615 ( 0.244 0.000 -1.391) 1.412 ======================= Grid point 68 (26/160) ======================= q-point: (-0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -25.897 0.000 2.888) 26.057 1.208 ( -21.164 0.000 18.647) 28.207 1.963 ( -36.224 0.000 21.856) 42.307 2.397 ( 20.833 0.000 3.232) 21.082 2.425 ( 9.420 0.000 5.353) 10.835 2.919 ( -0.311 0.000 -7.499) 7.506 2.977 ( 6.331 0.000 -8.253) 10.401 3.255 ( -2.091 0.000 -5.309) 5.706 3.326 ( -4.496 0.000 6.209) 7.666 3.667 ( -3.695 0.000 8.966) 9.697 3.712 ( -5.869 0.000 -8.741) 10.528 4.061 ( -0.072 0.000 -0.922) 0.925 4.159 ( 3.461 0.000 -7.399) 8.168 4.272 ( -2.285 0.000 13.652) 13.842 4.426 ( 5.356 0.000 -2.280) 5.822 4.567 ( 0.535 0.000 3.125) 3.171 4.703 ( 20.432 0.000 -1.169) 20.465 4.722 ( -7.067 0.000 -1.118) 7.155 4.766 ( -3.394 0.000 -3.177) 4.649 5.265 ( -12.704 0.000 -0.939) 12.739 5.317 ( 3.972 0.000 -0.932) 4.080 5.685 ( 9.339 0.000 -4.057) 10.182 5.726 ( -0.448 0.000 5.773) 5.790 5.854 ( -9.175 0.000 1.400) 9.281 6.144 ( 5.091 0.000 -5.678) 7.626 6.404 ( 3.885 0.000 -0.335) 3.900 6.559 ( 8.234 0.000 1.807) 8.430 6.953 ( 1.825 0.000 3.551) 3.992 6.987 ( 4.185 0.000 -7.767) 8.822 7.105 ( -0.964 0.000 -2.160) 2.366 7.151 ( 1.039 0.000 -0.430) 1.124 7.283 ( -6.829 0.000 7.723) 10.309 7.293 ( -5.332 0.000 6.469) 8.383 7.422 ( -9.482 0.000 -2.231) 9.741 7.595 ( 6.122 0.000 -1.730) 6.361 7.816 ( 3.547 0.000 -2.530) 4.357 7.942 ( -5.268 0.000 -1.870) 5.590 8.123 ( -0.662 0.000 -3.074) 3.145 8.126 ( 0.466 0.000 -1.581) 1.648 8.232 ( 6.154 0.000 4.660) 7.720 8.300 ( -4.233 0.000 10.274) 11.112 8.399 ( -4.066 0.000 -18.235) 18.683 8.508 ( 0.325 0.000 -2.767) 2.786 8.736 ( 1.514 0.000 -3.963) 4.242 8.780 ( 1.818 0.000 -2.745) 3.292 9.398 ( 3.104 0.000 -10.277) 10.736 9.513 ( -2.939 0.000 17.385) 17.632 10.892 ( 3.812 0.000 8.160) 9.007 11.040 ( 7.442 0.000 9.529) 12.091 11.604 ( -8.832 0.000 13.390) 16.040 11.770 ( -0.251 0.000 0.954) 0.986 12.624 ( 2.409 0.000 -2.507) 3.476 14.446 ( 0.563 0.000 0.559) 0.794 15.048 ( 1.821 0.000 -12.840) 12.969 15.176 ( 0.353 0.000 4.040) 4.056 15.294 ( -2.590 0.000 0.496) 2.637 16.193 ( 4.320 0.000 4.382) 6.153 16.509 ( -1.377 0.000 -13.028) 13.101 16.920 ( -7.263 0.000 -2.376) 7.642 17.619 ( 0.439 0.000 -1.273) 1.347 ======================= Grid point 69 (27/160) ======================= q-point: (-0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -12.864 0.000 17.810) 21.970 0.847 ( -20.663 0.000 24.586) 32.116 1.340 ( -34.254 0.000 35.815) 49.559 2.568 ( 6.423 0.000 5.949) 8.755 2.758 ( 16.958 0.000 0.089) 16.958 2.893 ( -0.634 0.000 -11.059) 11.077 3.065 ( 2.260 0.000 -3.705) 4.340 3.292 ( -1.191 0.000 11.537) 11.599 3.296 ( 7.628 0.000 -2.960) 8.182 3.572 ( -6.815 0.000 9.225) 11.469 3.640 ( 1.055 0.000 -7.868) 7.939 4.045 ( -1.405 0.000 -2.420) 2.798 4.199 ( -0.834 0.000 -6.149) 6.206 4.255 ( -1.564 0.000 13.046) 13.139 4.487 ( 0.260 0.000 4.837) 4.844 4.536 ( -2.267 0.000 1.203) 2.567 4.611 ( -3.879 0.000 0.408) 3.900 4.612 ( -3.254 0.000 -7.891) 8.535 5.028 ( 7.106 0.000 4.394) 8.354 5.066 ( -8.041 0.000 -0.436) 8.053 5.523 ( 17.524 0.000 -4.374) 18.062 5.621 ( -10.805 0.000 7.716) 13.277 5.655 ( -5.980 0.000 -5.729) 8.281 5.944 ( 12.551 0.000 1.294) 12.618 6.220 ( 4.471 0.000 -11.756) 12.577 6.437 ( -0.172 0.000 0.176) 0.246 6.711 ( 7.798 0.000 -0.405) 7.809 6.862 ( -16.321 0.000 1.926) 16.435 7.082 ( 5.508 0.000 -4.139) 6.890 7.109 ( 1.399 0.000 -4.886) 5.082 7.169 ( -1.983 0.000 3.064) 3.650 7.200 ( -6.293 0.000 3.671) 7.285 7.240 ( 7.913 0.000 3.249) 8.554 7.250 ( -6.197 0.000 -0.580) 6.224 7.651 ( -0.901 0.000 3.199) 3.323 7.765 ( -12.634 0.000 -0.192) 12.635 7.868 ( 3.068 0.000 -5.350) 6.167 8.080 ( -2.394 0.000 -1.255) 2.703 8.117 ( 1.373 0.000 -4.261) 4.476 8.279 ( -2.991 0.000 -12.983) 13.323 8.370 ( 3.661 0.000 -1.716) 4.043 8.383 ( 8.047 0.000 8.831) 11.948 8.521 ( 2.394 0.000 -1.203) 2.679 8.771 ( 2.725 0.000 -0.836) 2.850 8.802 ( -0.117 0.000 -4.562) 4.564 9.319 ( -11.868 0.000 -12.672) 17.362 9.466 ( -4.890 0.000 15.586) 16.335 10.823 ( -5.402 0.000 -13.100) 14.171 11.127 ( -9.332 0.000 -5.531) 10.848 11.764 ( -0.440 0.000 0.789) 0.903 11.985 ( 57.456 0.000 68.218) 89.190 12.660 ( 1.693 0.000 -2.534) 3.048 14.463 ( 1.000 0.000 1.635) 1.916 15.073 ( 3.210 0.000 -9.122) 9.671 15.163 ( -2.381 0.000 0.726) 2.489 15.273 ( 0.352 0.000 2.980) 3.001 16.025 ( -31.795 0.000 -35.651) 47.769 16.525 ( 7.049 0.000 2.172) 7.376 16.806 ( -2.166 0.000 6.753) 7.092 17.625 ( 0.388 0.000 -1.129) 1.194 ======================= Grid point 70 (28/160) ======================= q-point: ( 0.00 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 5.769 16.608 19.978) 26.612 0.830 ( -1.837 24.895 14.747) 28.994 1.578 ( -6.317 43.297 30.830) 53.526 2.617 ( 4.146 -5.418 7.693) 10.282 2.971 ( 2.344 0.615 -1.586) 2.897 3.021 ( -1.670 10.690 -7.215) 13.004 3.085 ( 2.489 1.820 0.945) 3.225 3.325 ( -2.551 4.669 10.338) 11.626 3.547 ( 4.443 6.829 6.388) 10.353 3.621 ( 4.573 5.682 6.929) 10.060 3.762 ( 11.382 -0.731 -5.871) 12.828 4.009 ( -2.977 -4.242 -1.223) 5.325 4.072 ( -2.002 3.338 -1.872) 4.319 4.248 ( -2.653 -2.664 9.794) 10.491 4.373 ( 0.585 -2.965 2.296) 3.796 4.573 ( -2.265 2.452 -0.091) 3.339 4.586 ( -2.456 2.031 -1.184) 3.400 4.724 ( 1.232 6.958 -8.038) 10.702 4.958 ( 0.729 -0.466 0.919) 1.262 5.190 ( 3.232 2.029 6.697) 7.708 5.375 ( -6.261 -4.713 1.202) 7.928 5.590 ( -6.037 3.175 -3.617) 7.721 5.742 ( 8.339 -5.287 1.158) 9.941 6.185 ( 17.099 -2.248 -4.771) 17.894 6.284 ( -14.147 -1.535 1.586) 14.318 6.412 ( 6.878 6.089 -10.314) 13.811 6.583 ( -4.317 -0.173 1.786) 4.675 6.824 ( 3.579 -2.087 -4.118) 5.841 6.992 ( -5.533 -4.479 -6.545) 9.670 7.032 ( -5.766 -2.154 8.161) 10.222 7.132 ( 0.212 0.801 1.400) 1.627 7.258 ( 6.910 0.820 -2.806) 7.503 7.365 ( 3.987 5.792 -4.402) 8.296 7.428 ( -2.347 2.468 -3.011) 4.547 7.485 ( 2.072 -9.102 2.693) 9.716 7.598 ( -2.448 -0.461 1.504) 2.910 7.853 ( -3.069 -5.812 -3.397) 7.398 7.905 ( -3.318 -8.107 2.531) 9.118 8.073 ( -0.935 0.470 -0.988) 1.440 8.115 ( -0.199 -6.484 0.360) 6.497 8.280 ( -3.701 -0.453 -5.720) 6.828 8.359 ( -0.876 -4.361 -6.364) 7.764 8.578 ( 3.042 -2.522 1.554) 4.246 8.775 ( -1.787 4.554 -2.822) 5.648 8.823 ( 2.449 2.835 3.480) 5.113 9.327 ( -3.350 -5.676 11.867) 13.574 9.582 ( -2.030 20.971 -10.756) 23.655 10.543 ( -8.243 -8.483 1.772) 11.961 11.003 ( 1.005 3.323 1.522) 3.791 11.544 ( 4.585 -11.159 13.509) 18.112 12.609 ( -1.351 -3.848 -4.039) 5.740 13.019 ( 14.956 -16.353 15.764) 27.195 14.655 ( -9.212 -2.107 -2.214) 9.706 14.833 ( 7.986 -9.632 1.043) 12.555 15.187 ( 3.286 4.610 -0.557) 5.689 15.400 ( -8.349 19.107 -11.515) 23.820 15.674 ( -8.138 21.024 -17.299) 28.417 16.537 ( 2.448 -7.352 -3.624) 8.554 16.931 ( 9.069 -1.575 11.407) 14.658 17.605 ( -0.133 -2.351 -0.853) 2.504 ======================= Grid point 71 (29/160) ======================= q-point: ( 0.14 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 4.923 21.423 13.682) 25.892 0.969 ( 12.826 19.529 12.553) 26.523 1.779 ( 18.172 34.026 28.291) 47.837 2.659 ( -2.740 -3.435 10.529) 11.409 2.819 ( -14.597 3.424 1.437) 15.062 2.990 ( -0.948 10.761 -6.902) 12.820 3.193 ( 7.107 -2.115 2.198) 7.734 3.328 ( 2.007 1.988 5.349) 6.049 3.553 ( -5.528 8.730 4.172) 11.144 3.671 ( -1.353 0.650 8.723) 8.851 3.912 ( 3.376 -1.792 0.203) 3.827 3.997 ( 2.517 -5.919 -0.603) 6.460 4.075 ( 2.757 -0.633 -6.261) 6.870 4.251 ( 0.770 -1.380 11.444) 11.553 4.386 ( 1.090 2.223 1.905) 3.124 4.513 ( -4.147 4.037 -2.087) 6.152 4.598 ( 3.323 0.119 -4.501) 5.596 4.639 ( -6.890 5.941 -4.443) 10.125 5.020 ( 6.947 2.028 -3.506) 8.042 5.297 ( 1.834 -1.201 6.958) 7.295 5.357 ( 4.859 -4.303 -3.850) 7.547 5.480 ( -4.974 0.011 -2.847) 5.731 5.802 ( -5.271 -2.089 -0.820) 5.729 5.967 ( -11.846 -1.470 5.913) 13.320 6.294 ( -1.821 4.959 -15.199) 16.091 6.550 ( 3.136 -5.551 6.264) 8.938 6.716 ( 9.326 -1.809 -2.365) 9.790 6.759 ( -5.655 -5.553 -2.876) 8.432 6.881 ( 0.665 -2.597 -1.541) 3.092 7.024 ( -0.720 0.448 0.430) 0.951 7.081 ( -4.343 3.841 -5.298) 7.854 7.287 ( -3.643 -2.472 3.232) 5.461 7.386 ( 3.220 5.018 -1.971) 6.279 7.456 ( 1.772 2.755 3.944) 5.127 7.513 ( 1.611 -1.982 -4.438) 5.121 7.704 ( 9.654 -7.363 -1.483) 12.232 7.805 ( 3.364 -2.554 4.069) 5.865 7.882 ( 0.374 -1.971 -0.733) 2.136 8.056 ( -0.847 -1.165 -2.483) 2.870 8.121 ( -2.671 -1.750 -5.625) 6.469 8.201 ( 0.890 -2.917 -2.065) 3.684 8.374 ( 2.612 -0.715 -7.384) 7.865 8.587 ( -0.369 -3.752 -3.169) 4.924 8.788 ( 1.509 0.772 0.404) 1.742 8.850 ( -0.786 3.202 4.216) 5.353 9.278 ( -2.045 -5.815 11.215) 12.798 9.558 ( -0.925 17.301 -6.572) 18.530 10.429 ( -4.322 -4.979 5.829) 8.800 11.049 ( 3.436 4.251 -0.062) 5.466 11.638 ( 3.629 -8.716 7.533) 12.078 12.528 ( -7.467 -5.081 0.548) 9.048 12.962 ( -16.674 -3.704 17.240) 24.268 14.395 ( -8.283 -3.848 -2.123) 9.376 14.971 ( 2.643 -6.971 -2.132) 7.754 15.227 ( -1.160 9.300 -3.340) 9.950 15.354 ( 6.444 12.801 -9.151) 17.004 15.724 ( 8.693 10.964 -5.837) 15.161 16.544 ( -0.171 -6.614 -6.037) 8.957 17.089 ( 4.535 -5.408 6.130) 9.348 17.601 ( -0.107 -2.437 -1.061) 2.660 ======================= Grid point 72 (30/160) ======================= q-point: ( 0.29 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 20.039 10.506 8.680) 24.234 1.272 ( 17.301 13.390 7.123) 23.008 2.133 ( 9.425 23.759 16.043) 30.178 2.452 ( -19.386 4.532 2.814) 20.107 2.640 ( -2.284 -0.438 17.240) 17.396 2.984 ( 1.150 9.474 -5.598) 11.065 3.304 ( 2.475 -2.883 -2.174) 4.378 3.400 ( 3.260 -1.394 5.189) 6.285 3.426 ( -3.498 12.487 2.356) 13.180 3.625 ( -4.279 -0.276 7.719) 8.830 3.971 ( 2.019 -2.373 0.715) 3.197 4.033 ( 0.198 1.754 -1.544) 2.345 4.082 ( 0.708 -10.796 -5.998) 12.370 4.267 ( -3.305 -0.181 12.546) 12.975 4.366 ( -7.085 0.833 -2.123) 7.443 4.411 ( -0.482 6.957 -0.278) 6.979 4.571 ( -0.470 8.785 -5.764) 10.518 4.693 ( 6.196 -1.796 -2.230) 6.826 5.158 ( -14.465 1.293 4.529) 15.213 5.187 ( 10.810 1.187 -5.471) 12.174 5.406 ( -2.660 -3.766 -1.252) 4.777 5.513 ( 6.345 0.979 1.054) 6.506 5.605 ( -3.450 2.469 -1.427) 4.476 5.962 ( 3.021 -3.260 2.008) 4.877 6.194 ( -4.995 5.099 -11.016) 13.126 6.509 ( -12.286 -3.393 2.419) 12.974 6.554 ( -5.318 -4.905 7.381) 10.335 6.857 ( -0.421 2.714 -1.295) 3.037 6.932 ( 0.842 -3.148 -4.124) 5.256 6.995 ( 6.479 -3.884 -5.927) 9.601 7.095 ( 3.422 -0.633 -2.792) 4.462 7.268 ( 0.268 -0.131 3.886) 3.897 7.387 ( -3.011 1.345 7.567) 8.254 7.481 ( 4.389 1.327 -2.094) 5.041 7.567 ( 1.196 1.602 -2.605) 3.284 7.821 ( -0.840 -4.295 -0.935) 4.475 7.838 ( 4.827 0.033 -1.976) 5.216 7.973 ( -0.026 -1.821 -1.584) 2.414 8.020 ( -0.657 0.251 -1.660) 1.803 8.133 ( 8.641 -7.916 -1.137) 11.774 8.254 ( 4.048 -2.979 -4.105) 6.489 8.427 ( 4.290 0.782 -7.848) 8.978 8.570 ( -0.710 -6.458 -5.431) 8.468 8.786 ( -2.784 2.790 3.714) 5.416 8.822 ( -1.193 0.903 -1.478) 2.103 9.290 ( -0.142 -4.322 12.047) 12.799 9.515 ( -1.642 11.641 -3.759) 12.342 10.406 ( 0.272 -4.647 8.430) 9.630 11.109 ( 2.659 3.973 -1.423) 4.988 11.706 ( 2.662 -5.616 3.980) 7.380 12.328 ( -13.853 0.414 10.053) 17.121 12.730 ( -8.521 5.582 4.753) 11.241 14.321 ( -1.316 -9.157 -1.336) 9.347 14.984 ( 0.261 -5.120 -4.240) 6.653 15.219 ( 0.749 8.974 -4.223) 9.946 15.432 ( 2.919 8.741 -2.909) 9.663 15.872 ( 7.178 4.770 -0.755) 8.651 16.523 ( -0.860 -6.502 -6.799) 9.447 17.126 ( -0.600 -3.087 3.882) 4.996 17.596 ( -0.133 -2.360 -1.333) 2.713 ======================= Grid point 73 (31/160) ======================= q-point: ( 0.43 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 11.562 5.124 3.311) 13.073 1.640 ( 21.833 4.104 6.511) 23.150 2.064 ( -16.665 15.585 11.275) 25.450 2.122 ( -10.970 6.818 0.795) 12.941 2.665 ( -4.398 -5.485 11.737) 13.682 3.039 ( 4.582 11.510 -4.555) 13.199 3.293 ( -1.932 3.535 -5.259) 6.625 3.423 ( 3.042 11.950 0.996) 12.371 3.484 ( 3.567 -0.143 8.931) 9.618 3.593 ( -0.620 2.123 8.175) 8.469 3.922 ( -6.342 -2.439 -2.661) 7.297 3.992 ( -3.467 6.144 -2.335) 7.431 4.068 ( -4.128 -10.796 -5.415) 12.764 4.197 ( 1.498 -3.440 7.117) 8.046 4.337 ( -3.500 6.617 -0.041) 7.486 4.358 ( -0.676 3.541 5.005) 6.169 4.563 ( 0.722 8.213 -1.085) 8.315 4.790 ( 3.887 -1.842 -2.079) 4.778 4.975 ( -3.438 2.814 -1.555) 4.707 5.306 ( -6.580 -6.820 -1.100) 9.541 5.329 ( 3.763 -4.331 0.657) 5.775 5.599 ( 7.665 8.294 -0.775) 11.320 5.711 ( 6.122 3.000 1.607) 7.004 5.980 ( -1.265 1.950 -9.513) 9.793 6.152 ( 3.066 0.108 0.527) 3.113 6.299 ( -11.630 -5.078 3.549) 13.177 6.420 ( -6.288 -0.562 3.987) 7.467 6.870 ( 1.345 1.095 -0.813) 1.915 6.945 ( 1.124 -2.699 -3.919) 4.889 7.085 ( 3.388 -2.354 -3.097) 5.159 7.158 ( 3.080 -3.302 -0.714) 4.571 7.286 ( 1.387 -0.140 1.590) 2.115 7.358 ( -1.217 2.303 4.510) 5.208 7.537 ( -3.158 1.778 0.082) 3.625 7.582 ( 5.797 -2.095 -0.806) 6.217 7.771 ( -4.033 -0.107 -0.800) 4.113 7.902 ( 1.263 -4.797 -0.693) 5.008 7.938 ( -0.131 -2.843 0.596) 2.908 8.020 ( 0.608 0.586 -1.471) 1.696 8.254 ( 2.612 -4.057 -5.057) 6.990 8.351 ( 6.023 -4.478 1.824) 7.723 8.472 ( 0.782 -2.164 -14.174) 14.360 8.569 ( 2.427 -1.339 -2.323) 3.617 8.727 ( -3.530 2.829 0.734) 4.583 8.793 ( -1.768 0.062 -1.993) 2.665 9.278 ( -2.040 -1.785 5.688) 6.300 9.527 ( 2.711 5.672 4.142) 7.528 10.459 ( 3.482 -6.118 12.446) 14.299 11.129 ( -0.362 3.700 -3.542) 5.135 11.745 ( 0.585 -4.922 2.057) 5.367 12.108 ( -10.559 8.606 10.247) 17.046 12.637 ( -2.633 3.333 -1.432) 4.482 14.311 ( 0.236 -9.818 -0.508) 9.834 14.978 ( -0.047 -5.193 -5.608) 7.643 15.228 ( 0.564 6.695 -2.170) 7.060 15.462 ( 0.976 9.603 -2.162) 9.891 15.990 ( 5.608 2.640 3.800) 7.271 16.494 ( -0.829 -6.667 -7.738) 10.247 17.098 ( -2.738 -1.139 1.969) 3.560 17.593 ( 0.043 -2.238 -1.416) 2.649 ======================= Grid point 74 (32/160) ======================= q-point: (-0.43 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -15.842 6.629 -1.812) 17.269 1.665 ( -21.953 2.715 10.190) 24.354 2.073 ( 14.339 11.628 8.965) 20.523 2.166 ( 16.310 3.211 2.625) 16.829 2.532 ( -10.220 -0.209 9.092) 13.680 3.054 ( -1.651 9.563 -8.186) 12.696 3.198 ( -5.341 8.895 -4.673) 11.379 3.375 ( -4.691 8.713 -1.395) 9.994 3.471 ( -11.087 5.223 7.161) 14.195 3.652 ( 3.676 0.379 9.659) 10.342 3.837 ( -4.053 0.291 -5.450) 6.798 4.003 ( -1.324 -10.072 -6.933) 12.299 4.077 ( 14.498 3.769 3.467) 15.376 4.251 ( 1.108 -1.617 9.705) 9.901 4.270 ( -0.831 6.174 0.470) 6.247 4.419 ( 7.234 1.191 -0.355) 7.340 4.584 ( 0.752 6.141 1.382) 6.340 4.807 ( -1.900 -0.918 -1.203) 2.429 4.965 ( -0.024 4.354 -4.685) 6.396 5.190 ( -4.723 -5.597 0.795) 7.367 5.396 ( 4.915 -6.196 2.136) 8.193 5.674 ( -6.778 9.323 0.175) 11.527 5.763 ( 5.600 6.427 -1.040) 8.587 5.976 ( -1.544 -2.519 -4.327) 5.239 6.100 ( -4.678 -1.848 0.306) 5.039 6.256 ( 6.053 -2.416 0.439) 6.533 6.416 ( 4.446 -0.463 3.327) 5.572 6.875 ( -0.789 -2.033 -0.973) 2.388 6.953 ( 0.772 -4.182 -3.773) 5.685 7.124 ( 1.603 2.320 -1.081) 3.019 7.166 ( -1.896 -1.610 1.611) 2.964 7.327 ( -1.698 -0.847 3.379) 3.875 7.360 ( 3.093 -0.237 0.040) 3.102 7.491 ( -0.495 1.224 -0.188) 1.334 7.633 ( -4.989 -0.088 3.560) 6.129 7.709 ( 2.650 -0.511 -4.926) 5.617 7.892 ( -1.510 -10.395 -1.612) 10.627 7.981 ( 2.031 -2.282 1.907) 3.601 8.043 ( 3.232 -1.447 0.696) 3.609 8.245 ( -2.334 -2.171 -3.620) 4.824 8.413 ( -2.024 -0.735 -9.812) 10.045 8.436 ( 0.576 -4.936 -2.216) 5.441 8.589 ( -3.298 4.560 -1.938) 5.952 8.669 ( 0.019 -0.730 -2.480) 2.585 8.781 ( 1.428 1.965 -2.346) 3.377 9.270 ( 0.520 -4.386 4.222) 6.110 9.598 ( 3.493 5.648 6.411) 9.231 10.573 ( 6.062 -9.616 17.547) 20.908 11.080 ( -3.979 3.573 -6.491) 8.410 11.700 ( -6.245 -5.602 2.040) 8.634 12.017 ( -0.023 16.146 6.976) 17.589 12.614 ( 0.280 1.466 -2.898) 3.260 14.327 ( 1.550 -8.373 0.429) 8.526 14.965 ( -0.207 -5.788 -6.353) 8.597 15.227 ( -0.471 4.542 -0.243) 4.572 15.465 ( -0.055 11.078 -2.478) 11.352 16.099 ( 5.288 1.517 6.299) 8.363 16.466 ( -0.783 -6.882 -9.271) 11.573 17.033 ( -4.532 -0.057 -0.067) 4.533 17.594 ( 0.366 -2.095 -1.371) 2.530 ======================= Grid point 75 (33/160) ======================= q-point: (-0.29 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -21.913 10.423 -2.463) 24.390 1.262 ( -21.910 6.954 15.190) 27.552 2.230 ( -18.994 22.631 21.207) 36.369 2.333 ( 12.512 -2.614 1.228) 12.841 2.551 ( 14.978 7.812 4.035) 17.368 3.005 ( 0.362 4.958 -7.837) 9.281 3.135 ( -1.131 10.348 -7.680) 12.936 3.290 ( -2.080 5.875 -2.112) 6.580 3.357 ( -2.540 4.836 6.426) 8.434 3.652 ( -3.682 -0.607 6.544) 7.533 3.738 ( -4.888 2.308 -4.429) 6.988 4.003 ( 2.230 -8.803 -6.658) 11.261 4.171 ( -1.877 6.198 2.100) 6.808 4.270 ( -0.557 0.818 10.569) 10.616 4.380 ( 8.103 -4.279 -2.801) 9.582 4.533 ( -4.982 -0.929 5.813) 7.712 4.718 ( 8.871 1.680 -1.796) 9.206 4.748 ( 5.772 2.732 0.575) 6.412 4.915 ( -3.834 7.728 -5.403) 10.179 5.141 ( -0.373 -2.709 -0.647) 2.810 5.485 ( -4.281 8.424 -0.512) 9.463 5.563 ( 4.845 -5.615 3.939) 8.397 5.807 ( -6.484 -0.486 -1.956) 6.790 5.838 ( -2.677 2.306 5.931) 6.904 6.173 ( 7.699 0.411 -8.699) 11.623 6.362 ( 4.588 -2.866 -0.481) 5.431 6.538 ( 7.020 -1.497 1.897) 7.424 6.865 ( 1.209 -4.490 -2.189) 5.139 6.972 ( 1.812 -6.586 -2.633) 7.321 7.127 ( -2.515 2.090 -0.842) 3.377 7.153 ( 1.036 2.135 -0.051) 2.374 7.264 ( -3.814 0.052 3.257) 5.016 7.353 ( -4.105 2.083 6.383) 7.869 7.465 ( -5.779 2.839 -1.033) 6.521 7.594 ( 3.963 -0.589 -2.944) 4.971 7.746 ( -0.889 -6.294 -2.124) 6.702 7.871 ( 0.729 -11.634 -2.806) 11.990 7.950 ( -4.232 -2.142 -1.916) 5.116 8.141 ( 0.924 -2.081 0.943) 2.464 8.194 ( 1.683 -3.293 4.207) 5.601 8.333 ( -3.094 -1.997 -14.404) 14.868 8.400 ( -4.605 1.478 4.833) 6.837 8.511 ( -1.814 -3.038 -7.222) 8.042 8.707 ( 2.986 1.694 -1.205) 3.638 8.823 ( 2.601 4.840 -1.166) 5.617 9.296 ( 0.751 -6.335 7.488) 9.837 9.666 ( 2.590 8.373 1.784) 8.944 10.723 ( 5.262 -17.835 18.719) 26.386 10.976 ( -4.563 5.293 -7.230) 10.056 11.557 ( -8.437 -2.612 4.685) 9.997 12.122 ( 10.293 20.347 6.652) 23.753 12.629 ( 1.577 0.075 -3.012) 3.400 14.376 ( 3.817 -5.234 1.921) 6.757 14.948 ( -0.641 -6.970 -6.318) 9.429 15.209 ( -1.452 3.008 0.571) 3.389 15.458 ( -0.151 12.341 -2.520) 12.597 16.196 ( 3.278 0.083 1.965) 3.823 16.429 ( -1.330 -6.716 -9.329) 11.571 16.930 ( -6.307 1.233 -0.403) 6.439 17.601 ( 0.494 -2.004 -1.243) 2.409 ======================= Grid point 76 (34/160) ======================= q-point: (-0.14 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -8.428 15.624 8.839) 19.831 0.947 ( -14.121 16.162 17.822) 27.897 1.849 ( -23.403 37.416 27.606) 52.055 2.513 ( 6.397 -4.254 2.685) 8.138 2.811 ( 12.459 4.738 -0.779) 13.352 3.028 ( 2.045 5.979 -8.426) 10.532 3.098 ( -2.026 4.920 -2.378) 5.828 3.328 ( 1.474 4.634 11.000) 12.027 3.395 ( 8.127 9.528 -2.307) 12.734 3.589 ( -2.832 3.251 7.629) 8.763 3.666 ( -0.731 2.060 -5.005) 5.461 4.034 ( 1.219 -7.396 -5.330) 9.197 4.124 ( -3.137 2.870 2.078) 4.733 4.280 ( -0.704 2.190 8.148) 8.467 4.403 ( -5.934 -6.828 2.975) 9.523 4.526 ( 6.806 -0.518 -1.015) 6.901 4.648 ( -4.048 3.413 -0.059) 5.295 4.796 ( -8.120 11.637 -1.784) 14.301 4.924 ( 2.856 -3.388 -0.042) 4.431 5.192 ( 0.452 5.508 0.624) 5.562 5.506 ( 9.418 -2.558 -2.446) 10.061 5.546 ( -6.883 -3.318 5.145) 9.212 5.709 ( -5.482 3.192 -0.571) 6.369 5.902 ( 10.915 -1.921 2.557) 11.374 6.303 ( 7.665 4.697 -13.849) 16.511 6.400 ( -0.481 -2.884 -0.477) 2.963 6.654 ( 4.072 -4.615 0.600) 6.183 6.876 ( -7.773 0.447 0.630) 7.811 6.970 ( 1.266 -10.554 -1.304) 10.709 7.069 ( 2.172 -0.672 -1.803) 2.902 7.170 ( 1.103 1.019 -2.323) 2.766 7.236 ( -7.746 1.602 5.387) 9.570 7.302 ( 4.974 3.729 1.201) 6.331 7.371 ( -2.597 8.343 -1.973) 8.958 7.615 ( -5.060 -8.080 -1.189) 9.607 7.659 ( -4.712 -4.910 -0.507) 6.824 7.867 ( -0.624 -0.688 -3.324) 3.451 7.922 ( 1.904 -13.712 -2.263) 14.027 8.100 ( -2.007 0.387 -0.251) 2.059 8.195 ( -6.133 -4.827 0.493) 7.820 8.291 ( 1.050 -1.348 -6.792) 7.004 8.396 ( 1.616 -2.809 0.858) 3.353 8.492 ( 2.217 -4.609 -2.177) 5.558 8.764 ( 3.233 1.950 0.314) 3.788 8.837 ( -1.722 5.450 -1.735) 5.974 9.322 ( 0.576 -4.508 10.888) 11.798 9.668 ( -2.682 13.328 -7.435) 15.495 10.704 ( -7.838 -15.327 -1.631) 17.292 10.979 ( 2.466 -0.063 6.282) 6.749 11.467 ( -1.083 -5.054 13.684) 14.628 12.458 ( 23.886 13.546 9.080) 28.922 12.662 ( 3.836 0.263 0.365) 3.862 14.495 ( 9.428 0.528 3.540) 10.084 14.908 ( -3.378 -10.374 -5.008) 12.005 15.181 ( -1.306 3.126 -0.208) 3.395 15.455 ( 0.171 12.644 -2.049) 12.810 16.079 ( -17.284 2.927 -25.157) 30.663 16.453 ( 5.143 -5.759 2.992) 8.280 16.839 ( -2.003 3.146 6.379) 7.389 17.606 ( 0.216 -2.122 -1.048) 2.376 ======================= Grid point 77 (35/160) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 6.995 21.527 9.215) 24.439 1.400 ( -1.177 27.549 5.745) 28.167 2.452 ( 2.183 7.400 5.202) 9.305 2.605 ( -1.932 32.236 15.807) 35.955 2.974 ( -1.753 0.362 0.185) 1.800 3.107 ( 3.723 1.386 1.553) 4.265 3.230 ( 1.756 4.871 -6.176) 8.059 3.444 ( -3.816 6.021 8.961) 11.450 3.589 ( -3.657 -2.319 6.600) 7.894 3.744 ( 6.501 4.907 2.906) 8.647 3.828 ( 4.764 4.656 -3.309) 7.438 4.022 ( -0.287 0.932 2.800) 2.965 4.154 ( 1.186 3.037 4.076) 5.220 4.217 ( -6.866 8.284 -3.260) 11.243 4.391 ( 3.144 3.747 3.626) 6.089 4.568 ( 1.424 0.646 -1.562) 2.210 4.700 ( -0.945 6.680 -2.088) 7.062 4.902 ( -0.803 7.909 0.730) 7.984 4.970 ( -0.058 2.072 -0.687) 2.184 5.200 ( -5.629 -1.397 2.417) 6.283 5.334 ( -2.871 2.888 5.350) 6.723 5.568 ( 0.542 -4.775 2.154) 5.267 5.746 ( 0.719 5.868 -1.930) 6.219 6.124 ( 12.388 -4.273 -5.302) 14.136 6.214 ( -7.502 -5.697 0.783) 9.453 6.416 ( 2.144 -6.510 -7.897) 10.456 6.561 ( -2.730 -5.352 -4.295) 7.386 6.739 ( -1.720 -7.297 -5.027) 9.026 6.807 ( 7.443 -8.715 0.688) 11.482 6.983 ( -9.337 -4.390 6.876) 12.399 7.194 ( 2.615 2.679 0.399) 3.765 7.213 ( 2.082 -10.046 -0.006) 10.260 7.233 ( -0.095 -2.338 0.338) 2.364 7.415 ( 2.508 0.926 -3.053) 4.058 7.567 ( -1.298 6.348 -8.338) 10.560 7.584 ( 0.165 -0.063 -1.725) 1.734 7.732 ( 2.103 -2.422 1.057) 3.377 7.834 ( -0.465 -1.102 -0.971) 1.541 7.997 ( -4.089 -2.019 7.447) 8.732 8.098 ( -0.430 -1.248 -8.888) 8.985 8.238 ( -4.520 -4.084 -7.165) 9.404 8.349 ( 2.654 4.066 -1.205) 5.003 8.476 ( 3.823 -5.930 3.947) 8.085 8.785 ( 0.340 -0.449 -2.687) 2.745 8.924 ( -0.338 1.264 6.977) 7.099 9.192 ( -3.725 -5.308 7.196) 9.686 9.874 ( -0.579 8.272 -5.417) 9.905 10.357 ( -3.529 -8.757 3.650) 10.123 11.119 ( 2.492 7.323 -0.898) 7.788 11.423 ( 1.536 -1.428 8.181) 8.445 12.547 ( -1.715 -2.376 -6.252) 6.905 12.807 ( 5.467 -7.823 6.153) 11.356 14.567 ( -10.462 -4.946 -0.719) 11.595 14.674 ( 8.771 -5.174 4.104) 10.979 15.318 ( 1.959 7.915 -1.063) 8.223 15.701 ( -0.511 10.795 -6.879) 12.811 15.956 ( -4.972 7.220 -14.032) 16.545 16.359 ( 1.401 -8.790 -0.649) 8.925 16.968 ( 3.099 4.372 8.177) 9.777 17.530 ( -0.232 -4.761 -0.312) 4.776 ======================= Grid point 78 (36/160) ======================= q-point: ( 0.14 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 4.247 22.142 11.287) 25.213 1.429 ( 6.175 24.301 4.288) 25.437 2.546 ( 4.992 7.963 8.641) 12.767 2.641 ( 1.780 26.611 13.609) 29.943 2.884 ( -6.795 2.283 -0.013) 7.168 3.148 ( -1.702 1.548 2.269) 3.231 3.214 ( -1.527 6.133 -5.264) 8.225 3.361 ( -3.125 1.457 5.706) 6.667 3.581 ( -0.020 -2.672 7.207) 7.686 3.817 ( -0.372 3.423 3.304) 4.772 3.851 ( -1.066 -3.533 1.547) 4.001 4.007 ( -4.499 8.940 0.319) 10.013 4.076 ( 0.399 1.219 -2.736) 3.022 4.250 ( 4.950 1.352 6.842) 8.552 4.473 ( 4.103 5.910 0.058) 7.195 4.544 ( -4.891 4.843 -1.071) 6.966 4.719 ( 1.187 8.876 -2.710) 9.357 4.774 ( -4.398 5.390 2.200) 7.296 5.071 ( 6.315 4.269 -3.588) 8.425 5.250 ( 7.595 -4.964 -3.970) 9.904 5.336 ( 1.526 3.773 5.644) 6.958 5.464 ( -6.938 -1.100 1.914) 7.281 5.812 ( 2.900 3.433 -0.328) 4.506 5.984 ( -13.757 1.911 1.680) 13.991 6.272 ( -1.132 -7.105 -11.760) 13.786 6.398 ( 1.775 -10.126 4.034) 11.043 6.552 ( 2.020 -12.732 -3.327) 13.314 6.708 ( -1.147 -2.476 -3.882) 4.745 6.835 ( -3.147 -2.074 1.373) 4.011 6.979 ( 4.096 -4.548 2.887) 6.767 7.158 ( -4.547 1.842 -5.681) 7.506 7.229 ( 1.338 -2.403 2.405) 3.654 7.320 ( 7.616 -11.547 -0.205) 13.834 7.482 ( -2.238 2.217 -0.904) 3.277 7.518 ( 2.574 2.610 -0.636) 3.720 7.623 ( 5.292 1.242 -5.037) 7.410 7.781 ( 2.172 -0.343 0.191) 2.207 7.830 ( 0.914 -1.312 -0.931) 1.850 7.982 ( 1.380 -3.008 3.776) 5.021 8.092 ( 0.343 -1.873 -8.876) 9.078 8.150 ( -2.761 -2.318 -4.911) 6.092 8.396 ( 2.970 4.329 -2.263) 5.717 8.509 ( -0.357 -5.053 0.957) 5.155 8.790 ( 0.905 -0.127 -1.938) 2.143 8.958 ( 0.841 3.559 6.869) 7.782 9.118 ( -3.588 -7.541 7.291) 11.086 9.827 ( -3.925 8.340 -4.119) 10.096 10.296 ( -3.114 -7.443 3.483) 8.788 11.175 ( 3.585 7.376 -1.243) 8.295 11.497 ( 4.185 -3.732 7.595) 9.441 12.483 ( -4.078 -0.509 -4.152) 5.841 12.842 ( -2.686 -7.410 6.534) 10.238 14.353 ( -10.645 -0.189 -0.770) 10.675 14.794 ( 3.404 -8.513 2.495) 9.502 15.357 ( 1.714 7.170 0.570) 7.394 15.678 ( 0.400 12.494 -11.187) 16.775 15.918 ( 2.005 7.173 -6.543) 9.914 16.365 ( -0.364 -9.638 -2.950) 10.086 17.045 ( 3.096 1.195 7.243) 7.967 17.525 ( -0.205 -4.775 -0.578) 4.814 ======================= Grid point 79 (37/160) ======================= q-point: ( 0.29 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 7.731 18.540 6.893) 21.237 1.612 ( 10.871 18.491 3.046) 21.665 2.540 ( -6.877 1.640 6.009) 9.278 2.585 ( -11.648 9.308 4.525) 15.581 2.809 ( -4.627 23.616 13.674) 27.679 3.084 ( -1.583 -6.671 -4.234) 8.059 3.231 ( 3.377 1.269 -2.318) 4.289 3.359 ( 2.431 -1.835 3.963) 4.999 3.588 ( -0.202 2.001 4.735) 5.144 3.752 ( -1.432 4.517 2.167) 5.211 3.905 ( 4.337 -3.542 6.886) 8.875 3.948 ( -2.182 4.826 -4.532) 6.971 4.117 ( 2.141 4.302 0.448) 4.826 4.305 ( -4.038 6.376 7.036) 10.318 4.365 ( -5.600 -1.062 -1.178) 5.820 4.593 ( 5.689 7.796 0.784) 9.683 4.706 ( 0.445 6.277 -2.322) 6.707 4.787 ( 0.934 11.560 -1.872) 11.748 5.126 ( -5.446 0.393 -0.795) 5.518 5.224 ( -1.814 -2.507 3.015) 4.320 5.373 ( -1.279 3.508 0.102) 3.735 5.533 ( 10.772 0.108 -1.181) 10.837 5.723 ( -4.783 7.813 0.047) 9.161 5.939 ( 4.749 0.169 0.668) 4.799 6.153 ( -5.939 -7.538 -7.843) 12.395 6.417 ( -2.208 -8.167 4.804) 9.729 6.510 ( -7.696 0.993 0.477) 7.775 6.722 ( 1.906 -11.893 2.221) 12.248 6.852 ( 5.673 -5.701 -4.739) 9.335 6.999 ( -1.984 -1.712 0.186) 2.627 7.083 ( -0.531 1.166 -7.843) 7.947 7.257 ( 0.839 -1.002 1.322) 1.859 7.398 ( -2.283 -0.426 3.309) 4.042 7.464 ( 5.108 -5.501 -1.570) 7.669 7.582 ( 1.538 0.040 -0.781) 1.726 7.682 ( 0.640 -4.953 -2.043) 5.396 7.795 ( -0.543 -4.197 -1.754) 4.581 7.906 ( 6.487 0.614 -3.799) 7.543 8.025 ( -0.745 -3.088 -2.126) 3.822 8.065 ( 2.640 2.821 1.552) 4.164 8.171 ( 4.893 -2.986 -5.593) 8.009 8.436 ( 1.139 0.724 -6.877) 7.008 8.518 ( 2.784 -1.147 0.037) 3.011 8.797 ( -0.349 -0.342 -1.128) 1.229 8.916 ( -4.653 5.717 0.417) 7.383 9.140 ( 2.238 -9.018 14.827) 17.498 9.722 ( -5.843 7.302 -3.287) 9.913 10.267 ( -0.718 -8.245 4.860) 9.598 11.235 ( 2.765 7.513 -2.263) 8.319 11.581 ( 3.343 -4.439 5.448) 7.782 12.392 ( -4.955 3.597 -1.023) 6.208 12.761 ( -5.911 -2.642 4.206) 7.721 14.208 ( -4.773 -0.948 -0.568) 4.899 14.826 ( 0.285 -8.977 1.012) 9.038 15.376 ( 0.398 7.736 0.077) 7.746 15.687 ( 2.030 12.146 -9.189) 15.365 15.971 ( 3.855 4.183 -1.788) 5.963 16.342 ( -1.229 -10.031 -4.266) 10.969 17.091 ( 0.674 0.241 5.079) 5.129 17.520 ( -0.121 -4.841 -0.903) 4.926 ======================= Grid point 80 (38/160) ======================= q-point: ( 0.43 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 5.541 7.634 3.145) 9.943 1.834 ( 12.016 14.442 0.633) 18.797 2.257 ( -15.456 8.660 -1.763) 17.804 2.526 ( -2.033 17.722 14.466) 22.966 2.601 ( -12.993 2.479 3.834) 13.772 3.063 ( -1.964 -12.254 -5.379) 13.526 3.298 ( 2.475 1.309 -3.399) 4.403 3.466 ( 6.691 -3.145 6.333) 9.735 3.576 ( -2.000 4.247 4.059) 6.206 3.819 ( 4.650 3.659 1.948) 6.229 3.898 ( -0.202 0.468 -5.077) 5.102 3.998 ( 0.667 12.757 5.138) 13.770 4.089 ( -2.323 -0.381 5.414) 5.903 4.202 ( -3.010 9.057 1.964) 9.744 4.361 ( 0.946 0.499 1.562) 1.893 4.618 ( -3.127 15.302 -0.531) 15.628 4.746 ( 2.824 3.786 -1.013) 4.831 4.800 ( 1.673 8.505 1.785) 8.849 4.980 ( -5.316 0.443 -0.015) 5.334 5.238 ( -1.160 -2.451 5.060) 5.741 5.291 ( -3.386 4.261 -0.537) 5.469 5.717 ( 8.392 -0.542 2.495) 8.772 5.744 ( 3.997 2.179 -4.225) 6.211 6.031 ( 3.055 2.889 -4.840) 6.411 6.089 ( 0.827 -5.965 -2.033) 6.356 6.299 ( -12.156 3.625 2.310) 12.894 6.381 ( -2.249 -1.303 3.864) 4.657 6.747 ( 0.533 -13.964 1.924) 14.106 6.926 ( -2.830 1.813 -3.556) 4.893 6.998 ( 7.238 -9.590 -5.846) 13.362 7.104 ( 3.056 -2.306 -2.006) 4.322 7.256 ( -0.786 -2.685 0.626) 2.866 7.372 ( -1.511 -0.251 1.628) 2.235 7.521 ( 0.249 -1.126 -0.346) 1.204 7.583 ( 0.135 -0.307 0.161) 0.372 7.683 ( 0.012 -10.468 -1.812) 10.624 7.770 ( -0.718 -2.114 -3.359) 4.033 7.924 ( -2.561 0.683 -0.755) 2.756 8.036 ( 2.046 0.215 -2.797) 3.472 8.139 ( 3.353 -2.025 -1.747) 4.289 8.289 ( 6.484 -1.086 0.943) 6.641 8.423 ( -0.376 -1.317 -12.106) 12.183 8.598 ( 4.770 0.072 -0.626) 4.811 8.757 ( -3.998 -0.224 -1.250) 4.195 8.850 ( -1.390 5.085 -0.127) 5.273 9.181 ( -1.264 -6.374 14.867) 16.225 9.648 ( -0.613 5.043 -1.020) 5.181 10.282 ( 1.129 -10.217 6.976) 12.423 11.257 ( -0.016 7.927 -3.876) 8.824 11.626 ( 0.411 -4.309 3.667) 5.673 12.315 ( -2.694 8.326 1.480) 8.875 12.669 ( -4.001 -0.836 0.422) 4.109 14.164 ( -0.206 -2.675 0.359) 2.707 14.822 ( -0.589 -9.064 -0.033) 9.083 15.374 ( -0.532 8.028 -0.832) 8.089 15.710 ( 1.623 11.898 -6.579) 13.692 16.045 ( 4.138 2.199 1.398) 4.890 16.311 ( -1.189 -10.306 -5.399) 11.695 17.090 ( -1.494 0.751 3.106) 3.528 17.518 ( 0.108 -4.847 -1.004) 4.951 ======================= Grid point 81 (39/160) ======================= q-point: (-0.43 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -9.462 6.313 -2.112) 11.569 1.819 ( -13.289 16.811 3.019) 21.641 2.180 ( 3.947 2.846 -2.079) 5.292 2.466 ( 7.199 9.077 3.121) 11.999 2.642 ( 7.221 16.250 13.083) 22.077 2.997 ( -3.097 -11.945 -8.415) 14.936 3.293 ( -1.960 -0.729 -2.863) 3.545 3.538 ( -2.064 6.345 3.869) 7.713 3.566 ( 1.941 -5.237 6.059) 8.241 3.745 ( -8.770 0.260 -0.308) 8.780 3.873 ( -4.157 11.165 -4.946) 12.900 4.014 ( -2.073 13.600 5.659) 14.876 4.123 ( 5.966 -2.266 4.529) 7.825 4.208 ( 1.107 1.172 5.551) 5.781 4.418 ( 4.096 7.413 2.422) 8.809 4.584 ( 2.379 14.322 -1.392) 14.584 4.739 ( -2.799 4.122 -0.534) 5.011 4.832 ( 0.440 5.393 2.710) 6.052 4.933 ( -0.435 1.241 -2.946) 3.226 5.231 ( -1.108 2.168 5.916) 6.397 5.317 ( 7.506 2.907 1.402) 8.171 5.799 ( 2.218 -1.623 -2.670) 3.832 5.844 ( 2.804 1.441 4.251) 5.292 5.956 ( -8.888 2.597 -6.677) 11.416 6.039 ( -6.507 -3.367 1.127) 7.413 6.211 ( 4.066 -1.303 -1.416) 4.498 6.427 ( 5.629 1.127 2.295) 6.182 6.750 ( -0.625 -13.123 1.236) 13.196 6.847 ( -3.632 -2.573 -4.936) 6.646 7.084 ( 1.814 -6.941 -1.576) 7.345 7.189 ( 5.046 -1.256 -0.713) 5.248 7.246 ( -0.105 -7.536 0.370) 7.546 7.341 ( -1.040 0.232 -1.809) 2.100 7.484 ( -3.370 1.097 0.489) 3.578 7.606 ( 1.206 -2.625 2.129) 3.589 7.650 ( -2.392 -9.068 -3.612) 10.049 7.751 ( -1.978 2.562 -4.630) 5.649 7.930 ( 4.465 -2.763 0.549) 5.279 8.044 ( -1.037 1.637 -1.586) 2.505 8.161 ( -0.860 -3.249 -1.026) 3.514 8.357 ( 0.526 -2.145 2.804) 3.569 8.379 ( -2.075 -0.941 -14.242) 14.423 8.636 ( -6.929 -1.967 -2.140) 7.514 8.680 ( 2.558 1.168 -2.027) 3.466 8.886 ( 4.683 6.642 1.859) 8.337 9.156 ( -2.851 -5.878 11.875) 13.553 9.695 ( 4.691 3.517 2.149) 6.245 10.329 ( 2.372 -12.597 8.757) 15.524 11.219 ( -3.164 8.675 -5.429) 10.711 11.602 ( -3.466 -2.915 2.800) 5.325 12.316 ( 2.660 10.240 2.105) 10.787 12.620 ( -1.219 -1.199 -2.025) 2.650 14.194 ( 3.236 -2.708 1.820) 4.596 14.808 ( -0.822 -8.824 -0.774) 8.896 15.355 ( -1.329 7.932 -1.318) 8.149 15.721 ( 0.630 11.837 -5.020) 12.873 16.126 ( 4.091 0.744 2.839) 5.034 16.282 ( -0.882 -10.189 -6.480) 12.107 17.049 ( -3.222 1.926 1.764) 4.147 17.522 ( 0.411 -4.836 -0.912) 4.938 ======================= Grid point 82 (40/160) ======================= q-point: (-0.29 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -14.853 14.299 -4.440) 21.090 1.582 ( -11.387 22.368 6.115) 25.833 2.293 ( 8.040 -1.304 -1.199) 8.233 2.644 ( 6.690 8.036 5.403) 11.769 2.832 ( 6.413 21.757 10.789) 25.117 2.964 ( 3.609 -5.243 -6.920) 9.402 3.240 ( -2.530 0.235 -1.423) 2.912 3.513 ( -0.412 5.588 1.543) 5.812 3.545 ( -5.843 10.210 9.954) 15.410 3.625 ( -0.652 -1.918 -0.739) 2.157 3.782 ( -4.475 3.992 -2.772) 6.606 3.999 ( 1.283 11.722 -0.641) 11.810 4.187 ( -3.194 -1.854 7.690) 8.531 4.262 ( 6.488 -5.363 -1.965) 8.643 4.424 ( -2.604 7.312 6.629) 10.208 4.546 ( -6.793 5.498 0.186) 8.741 4.818 ( -1.316 7.784 1.415) 8.021 4.858 ( 7.158 8.273 -0.610) 10.956 4.970 ( 9.696 1.262 -4.271) 10.670 5.189 ( -3.310 2.469 3.008) 5.109 5.507 ( 6.231 3.304 5.254) 8.795 5.652 ( -11.574 6.624 1.330) 13.401 5.820 ( -6.252 1.905 -2.263) 6.917 5.873 ( 1.109 0.937 3.187) 3.502 6.065 ( 8.449 -9.748 -5.124) 13.880 6.276 ( 2.089 -7.069 -1.813) 7.591 6.538 ( 5.260 0.601 -1.215) 5.432 6.711 ( -2.473 -11.783 -2.608) 12.319 6.837 ( 3.055 -5.151 -0.740) 6.035 7.078 ( -2.165 -4.951 0.434) 5.421 7.201 ( -1.714 -5.126 -0.406) 5.420 7.277 ( 0.694 -4.928 0.512) 5.003 7.329 ( -1.196 -2.621 -0.481) 2.920 7.421 ( -2.259 2.209 -3.289) 4.561 7.580 ( -3.481 -3.160 2.055) 5.131 7.632 ( 0.528 -0.061 -2.440) 2.497 7.716 ( -0.188 -1.441 -6.617) 6.775 7.953 ( -5.370 1.280 -2.134) 5.919 8.077 ( 6.550 -3.920 0.970) 7.695 8.130 ( -1.202 -1.968 4.157) 4.754 8.282 ( -4.951 -1.478 -7.472) 9.085 8.371 ( 0.647 -3.175 -4.840) 5.824 8.480 ( -7.731 -0.018 -3.012) 8.297 8.728 ( 2.373 -0.129 -1.446) 2.782 8.973 ( 2.253 6.944 2.572) 7.740 9.145 ( 0.439 -7.416 11.929) 14.053 9.796 ( 5.213 4.215 0.802) 6.752 10.385 ( 1.546 -14.147 8.646) 16.652 11.139 ( -3.649 9.427 -5.245) 11.388 11.519 ( -5.544 -0.651 3.273) 6.471 12.419 ( 7.815 7.488 0.964) 10.867 12.611 ( 0.562 -1.822 -2.224) 2.930 14.292 ( 6.989 -1.636 3.522) 7.995 14.785 ( -1.781 -8.259 -1.156) 8.527 15.325 ( -1.436 7.919 -1.650) 8.216 15.718 ( 0.027 11.483 -4.207) 12.229 16.185 ( 0.603 -1.839 -4.170) 4.597 16.265 ( 0.928 -8.112 -1.992) 8.405 16.983 ( -3.878 3.967 2.086) 5.926 17.529 ( 0.417 -4.847 -0.694) 4.914 ======================= Grid point 83 (41/160) ======================= q-point: (-0.14 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -2.940 20.790 0.956) 21.019 1.440 ( -5.064 27.257 6.887) 28.566 2.406 ( 3.613 -4.589 -0.028) 5.840 2.675 ( -5.786 32.698 16.565) 37.109 2.924 ( 6.292 5.434 0.805) 8.352 3.037 ( 2.785 2.696 -2.355) 4.535 3.219 ( 0.096 2.267 -2.718) 3.541 3.474 ( -3.149 5.742 9.472) 11.516 3.579 ( 5.477 5.982 8.593) 11.816 3.693 ( 8.209 3.230 -6.541) 10.982 3.703 ( -3.585 3.340 -1.421) 5.101 4.029 ( 0.598 7.123 0.851) 7.199 4.145 ( -1.278 -1.014 3.628) 3.978 4.284 ( -2.760 -0.114 0.029) 2.763 4.417 ( -3.074 9.719 2.918) 10.604 4.489 ( 4.627 -2.247 0.705) 5.192 4.762 ( -4.431 8.151 1.299) 9.368 4.887 ( 0.025 0.641 -0.407) 0.759 5.038 ( -5.030 9.503 -0.259) 10.755 5.297 ( 8.266 5.222 -2.413) 10.071 5.415 ( -5.919 -3.119 4.858) 8.268 5.498 ( -7.868 -2.153 6.903) 10.686 5.807 ( -2.313 5.669 -3.416) 7.012 5.918 ( 8.452 2.836 1.384) 9.021 6.266 ( 11.220 -8.866 -9.102) 16.951 6.283 ( 0.883 -9.404 -1.882) 9.631 6.594 ( 0.864 -1.891 -3.549) 4.113 6.699 ( 2.023 -13.603 -1.557) 13.841 6.855 ( -4.924 -5.030 1.357) 7.168 7.065 ( 3.592 -1.629 1.348) 4.168 7.186 ( -0.804 -9.432 -0.600) 9.485 7.191 ( -7.387 -3.991 -0.508) 8.412 7.280 ( -3.656 -1.846 2.231) 4.664 7.409 ( 0.593 3.035 -5.872) 6.636 7.555 ( 1.000 3.633 1.036) 3.908 7.620 ( -1.849 1.153 -4.057) 4.605 7.710 ( 0.593 -5.699 -3.463) 6.694 7.859 ( -2.830 0.594 -2.134) 3.594 8.072 ( -3.631 -1.450 3.941) 5.551 8.151 ( -3.784 -1.069 -2.989) 4.939 8.267 ( 6.001 -2.629 -0.804) 6.601 8.337 ( -4.014 -4.668 -8.856) 10.786 8.405 ( 1.291 0.283 2.462) 2.794 8.766 ( 1.944 -0.775 -1.394) 2.515 8.958 ( -3.154 2.504 4.290) 5.884 9.198 ( 1.459 -5.324 10.406) 11.780 9.868 ( 2.346 6.065 -3.439) 7.356 10.398 ( -1.460 -12.287 5.715) 13.630 11.095 ( -0.116 8.474 -2.224) 8.762 11.433 ( -3.734 0.460 5.543) 6.699 12.552 ( 3.710 -0.915 -6.075) 7.177 12.660 ( 6.625 -1.493 4.571) 8.186 14.465 ( 10.617 -2.173 4.653) 11.794 14.723 ( -5.177 -7.120 -1.056) 8.866 15.304 ( -0.228 8.184 -1.896) 8.404 15.712 ( 0.055 10.825 -4.115) 11.581 16.105 ( -6.388 -0.658 -14.463) 15.824 16.315 ( 3.015 -6.876 2.312) 7.856 16.935 ( -1.214 5.948 5.335) 8.082 17.532 ( 0.053 -4.833 -0.415) 4.851 ======================= Grid point 84 (42/160) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 6.552 20.832 4.886) 22.378 1.947 ( -2.341 23.975 0.464) 24.093 2.324 ( 5.415 -9.424 3.972) 11.572 2.807 ( -0.281 -13.646 -6.162) 14.975 3.068 ( 0.200 4.215 3.338) 5.380 3.235 ( 1.847 -1.887 2.960) 3.966 3.508 ( -0.336 1.416 8.868) 8.987 3.616 ( 0.548 35.252 11.442) 37.066 3.697 ( -6.652 10.473 0.900) 12.439 3.724 ( -0.999 -2.601 6.113) 6.718 3.901 ( 4.606 2.842 -2.387) 5.915 4.005 ( -2.545 0.087 2.064) 3.278 4.231 ( -10.484 -6.252 -2.267) 12.416 4.356 ( 6.577 15.214 1.197) 16.618 4.463 ( 5.985 1.877 3.682) 7.273 4.728 ( 8.401 1.838 -2.046) 8.839 4.869 ( -2.386 7.281 2.594) 8.089 4.949 ( -6.235 4.849 4.276) 8.982 5.018 ( -5.279 0.270 0.645) 5.325 5.314 ( -3.778 11.782 -2.720) 12.668 5.421 ( -2.551 6.000 4.136) 7.721 5.578 ( 2.838 6.414 -0.286) 7.020 5.825 ( 1.166 -5.704 -5.135) 7.763 5.969 ( 3.074 -5.821 2.416) 7.012 6.034 ( 0.558 -10.186 -2.298) 10.457 6.189 ( -3.240 -13.551 -5.497) 14.978 6.317 ( 0.452 -11.307 0.522) 11.328 6.456 ( 0.116 -18.523 -1.520) 18.586 6.748 ( 7.628 1.864 -3.828) 8.736 6.894 ( -1.924 -2.971 1.837) 3.988 7.090 ( -2.046 -3.237 4.613) 5.996 7.134 ( -0.625 -4.181 -0.275) 4.237 7.308 ( -0.245 4.252 0.266) 4.267 7.423 ( 1.622 -0.549 -3.859) 4.221 7.609 ( 0.514 2.512 -5.359) 5.940 7.650 ( 1.013 2.343 -9.116) 9.467 7.763 ( 3.137 3.508 -1.950) 5.094 7.843 ( -1.667 1.364 -2.100) 3.008 7.999 ( -2.286 0.818 1.579) 2.896 8.062 ( -2.857 0.073 -5.997) 6.643 8.162 ( -3.477 -3.006 -3.672) 5.883 8.288 ( 5.881 -8.163 2.470) 10.360 8.495 ( 1.276 5.024 3.133) 6.057 8.765 ( 2.065 -5.172 2.875) 6.267 8.882 ( -2.877 1.933 7.427) 8.196 9.130 ( -2.299 -2.768 2.742) 4.524 9.986 ( -0.381 3.586 -0.623) 3.660 10.185 ( -1.708 -7.333 2.459) 7.921 11.284 ( 1.821 7.668 -2.119) 8.161 11.429 ( 0.271 0.692 2.734) 2.833 12.508 ( -0.458 -0.946 -5.138) 5.244 12.648 ( 2.416 -7.126 1.458) 7.664 14.500 ( -3.844 -1.041 1.981) 4.448 14.583 ( 2.513 -3.770 3.661) 5.825 15.510 ( 1.230 10.106 -2.502) 10.483 15.835 ( -0.075 0.535 -7.773) 7.792 16.042 ( -0.761 2.685 -5.422) 6.098 16.198 ( -0.368 -5.789 -1.224) 5.928 17.093 ( 0.870 7.192 4.708) 8.640 17.408 ( -0.166 -6.742 0.599) 6.770 ======================= Grid point 85 (43/160) ======================= q-point: ( 0.14 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 6.037 20.427 8.563) 22.957 1.936 ( 2.028 23.002 -0.804) 23.106 2.443 ( 5.081 -8.160 5.797) 11.225 2.770 ( -2.436 -13.442 -4.822) 14.487 3.012 ( -6.062 5.102 1.948) 8.159 3.223 ( -3.267 -2.993 2.237) 4.963 3.469 ( -11.598 5.071 0.450) 12.666 3.520 ( -6.170 15.580 11.523) 20.337 3.589 ( -4.541 8.861 3.741) 10.636 3.736 ( 0.796 -3.511 9.791) 10.432 3.949 ( 0.555 11.704 -0.604) 11.733 4.048 ( -4.664 -2.691 1.426) 5.570 4.057 ( 7.573 -1.944 -1.022) 7.885 4.369 ( -1.224 10.301 2.535) 10.679 4.639 ( 0.052 2.881 2.814) 4.027 4.743 ( -4.686 5.946 3.591) 8.379 4.859 ( 2.898 5.964 -0.004) 6.631 4.929 ( 7.889 15.680 -1.518) 17.618 5.076 ( 5.912 -8.584 -1.284) 10.502 5.292 ( 1.311 11.027 -4.180) 11.866 5.439 ( 4.108 7.967 0.079) 8.964 5.518 ( -6.153 5.603 1.317) 8.425 5.854 ( 0.978 -6.290 -2.407) 6.805 5.996 ( -4.553 -2.815 0.269) 5.360 6.076 ( -4.882 -9.126 -5.218) 11.591 6.084 ( 7.318 -12.753 5.192) 15.593 6.289 ( -2.348 -11.052 -1.847) 11.448 6.498 ( 4.666 -15.333 -2.722) 16.256 6.808 ( -4.468 -0.679 -0.567) 4.555 6.878 ( 0.332 -4.754 4.516) 6.565 7.097 ( 3.610 -2.866 3.510) 5.794 7.147 ( 2.229 -3.643 -2.547) 4.973 7.301 ( -0.218 3.806 -1.978) 4.295 7.460 ( 0.229 -3.190 -2.223) 3.895 7.601 ( 1.165 5.247 -7.442) 9.180 7.679 ( 2.074 2.586 -6.296) 7.116 7.776 ( -1.720 0.181 -1.696) 2.422 7.837 ( 2.533 -0.181 -0.907) 2.697 7.993 ( 1.236 3.605 0.590) 3.857 8.029 ( 0.699 -2.508 -7.644) 8.075 8.122 ( 0.245 0.034 -3.665) 3.674 8.370 ( 2.484 -7.863 0.484) 8.261 8.522 ( 1.105 5.896 4.603) 7.561 8.802 ( 1.155 -2.508 0.354) 2.784 8.880 ( 1.316 -2.246 11.251) 11.548 9.073 ( -4.013 -0.771 0.887) 4.182 9.941 ( -4.378 3.541 -0.594) 5.662 10.136 ( -3.424 -7.232 1.799) 8.201 11.334 ( 3.542 7.083 -1.882) 8.140 11.469 ( 3.097 -0.058 3.106) 4.387 12.482 ( -1.343 0.677 -4.222) 4.481 12.673 ( -0.139 -8.050 1.630) 8.214 14.388 ( -7.178 3.447 1.580) 8.118 14.628 ( 0.866 -7.310 3.357) 8.091 15.538 ( 1.831 9.717 -1.514) 10.004 15.836 ( 1.672 1.734 -8.777) 9.101 16.027 ( 0.205 3.603 -4.299) 5.613 16.178 ( -1.594 -7.070 -1.909) 7.495 17.121 ( 1.022 5.522 4.818) 7.399 17.404 ( -0.308 -6.571 0.471) 6.595 ======================= Grid point 86 (44/160) ======================= q-point: ( 0.29 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 1.065 20.510 6.003) 21.397 2.019 ( 6.031 19.337 -1.833) 20.338 2.499 ( 1.008 -5.171 5.808) 7.841 2.710 ( -5.271 -5.758 -1.902) 8.035 2.836 ( -12.114 -2.988 -3.205) 12.882 3.150 ( -6.770 1.432 1.660) 7.116 3.254 ( -10.373 0.545 3.431) 10.940 3.341 ( -4.543 -0.870 0.975) 4.727 3.611 ( 2.067 2.439 10.024) 10.521 3.797 ( 3.667 -1.807 10.415) 11.189 3.970 ( -3.960 2.390 4.205) 6.251 4.007 ( 2.197 8.273 -2.118) 8.818 4.205 ( 8.164 3.879 0.824) 9.076 4.380 ( 0.149 8.792 -1.427) 8.908 4.490 ( -5.975 2.070 3.805) 7.380 4.788 ( 2.967 12.513 -0.102) 12.861 4.865 ( -1.747 3.836 2.529) 4.915 5.075 ( 5.903 15.050 -2.110) 16.304 5.106 ( -2.708 -2.389 0.267) 3.621 5.298 ( -1.834 12.332 0.615) 12.483 5.493 ( 3.454 3.604 -2.698) 5.674 5.537 ( 5.788 4.110 -1.159) 7.193 5.787 ( -6.884 -7.068 -0.795) 9.899 5.941 ( -0.629 2.611 0.293) 2.702 6.030 ( 2.235 -4.136 -1.628) 4.975 6.234 ( 4.857 -7.427 4.454) 9.929 6.291 ( 4.522 -17.074 -0.084) 17.663 6.579 ( 4.263 -13.138 -2.990) 14.132 6.675 ( -8.863 -1.425 0.326) 8.982 6.859 ( -2.899 -8.875 5.773) 10.977 7.126 ( -0.288 1.404 -2.442) 2.831 7.215 ( 1.745 -3.514 -0.986) 4.045 7.319 ( 3.475 -1.302 -0.429) 3.736 7.406 ( -3.392 -1.395 -2.751) 4.584 7.631 ( 1.749 3.816 -6.321) 7.588 7.667 ( -1.795 2.221 -5.165) 5.902 7.742 ( -0.607 -0.957 -3.572) 3.748 7.924 ( 4.528 -3.922 -3.713) 7.048 7.989 ( 0.779 2.859 -2.664) 3.985 8.087 ( 3.951 -0.501 -2.038) 4.474 8.169 ( 5.766 2.809 -3.589) 7.350 8.392 ( 0.652 -5.352 -1.827) 5.692 8.559 ( 1.972 4.965 4.624) 7.065 8.799 ( -1.382 -0.734 -2.216) 2.713 8.946 ( 1.609 -5.347 10.606) 11.986 9.005 ( -1.956 0.432 4.686) 5.096 9.834 ( -6.269 4.201 -0.523) 7.564 10.083 ( -2.398 -8.602 2.558) 9.289 11.395 ( 3.060 7.050 -2.484) 8.077 11.535 ( 3.150 -0.716 2.373) 4.008 12.449 ( -1.390 2.323 -3.202) 4.193 12.651 ( -2.326 -6.788 1.201) 7.275 14.270 ( -5.242 6.159 1.761) 8.277 14.630 ( -0.891 -9.501 2.754) 9.932 15.565 ( 1.142 10.076 -1.121) 10.202 15.867 ( 3.013 3.612 -8.064) 9.335 16.037 ( 1.469 2.044 -2.744) 3.724 16.135 ( -2.494 -8.360 -2.586) 9.099 17.141 ( 0.207 4.301 4.088) 5.938 17.399 ( -0.282 -6.517 0.260) 6.529 ======================= Grid point 87 (45/160) ======================= q-point: ( 0.43 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -2.188 15.854 2.775) 16.243 2.157 ( 9.337 14.356 -2.953) 17.378 2.491 ( -13.683 13.831 -4.224) 19.909 2.520 ( -3.440 -4.026 1.013) 5.392 2.660 ( -4.345 -17.524 -1.281) 18.100 2.988 ( -5.075 11.857 5.324) 13.953 3.193 ( -0.392 -11.303 -2.204) 11.523 3.353 ( 2.850 -5.845 4.853) 8.114 3.654 ( 0.211 4.840 9.810) 10.941 3.820 ( -6.605 0.925 -2.057) 6.979 3.918 ( 3.749 -5.722 9.308) 11.551 4.056 ( 0.964 -1.739 3.023) 3.618 4.273 ( -4.685 11.361 -0.283) 12.292 4.366 ( 6.802 8.733 -0.380) 11.076 4.548 ( 6.328 10.302 1.202) 12.150 4.771 ( -5.637 -0.856 3.896) 6.906 4.850 ( 0.313 7.653 -1.073) 7.734 5.023 ( -3.298 14.279 3.516) 15.071 5.199 ( 7.452 5.325 1.154) 9.231 5.262 ( -2.041 14.555 2.296) 14.875 5.463 ( -4.006 10.622 -2.809) 11.695 5.667 ( 2.531 -3.100 -1.852) 4.410 5.711 ( 2.896 -2.347 2.727) 4.618 5.916 ( -2.096 -8.263 0.158) 8.526 6.134 ( 5.691 3.119 -4.847) 8.100 6.277 ( 2.313 -7.285 -1.085) 7.720 6.402 ( 0.682 -3.875 5.123) 6.460 6.485 ( -7.211 -2.444 1.511) 7.762 6.666 ( 4.287 -19.519 -3.415) 20.274 6.794 ( -4.625 -12.457 4.423) 14.005 7.108 ( -0.076 2.180 -4.681) 5.164 7.200 ( -1.922 -2.447 0.024) 3.112 7.352 ( -0.475 -1.115 0.209) 1.230 7.411 ( 3.396 -5.253 1.226) 6.375 7.618 ( -1.299 1.846 -9.135) 9.410 7.639 ( 0.501 4.941 -6.449) 8.139 7.746 ( 1.413 -0.633 -3.483) 3.812 7.911 ( -2.687 -3.154 -2.092) 4.641 8.060 ( 4.130 2.977 -2.511) 5.677 8.130 ( 1.385 0.038 -4.073) 4.302 8.284 ( 4.666 0.304 -1.253) 4.841 8.416 ( 2.978 -1.600 -2.135) 3.998 8.584 ( -0.640 1.219 0.958) 1.677 8.740 ( -4.375 -1.896 -3.038) 5.654 8.935 ( -0.081 2.504 3.071) 3.964 9.052 ( 1.461 -4.981 14.828) 15.710 9.745 ( -2.298 4.807 0.242) 5.333 10.059 ( -0.598 -10.290 3.620) 10.925 11.427 ( 0.644 7.451 -3.502) 8.258 11.580 ( 1.062 -0.884 1.398) 1.966 12.427 ( -0.281 3.211 -2.391) 4.013 12.603 ( -2.606 -4.916 0.033) 5.564 14.212 ( -1.230 6.561 2.378) 7.086 14.616 ( -0.882 -10.364 2.321) 10.658 15.572 ( -0.166 10.650 -1.565) 10.765 15.911 ( 2.757 6.340 -6.361) 9.395 16.071 ( 2.365 -0.279 -1.283) 2.705 16.083 ( -2.176 -10.116 -3.366) 10.881 17.141 ( -0.829 4.142 3.114) 5.248 17.396 ( -0.069 -6.582 0.137) 6.584 ======================= Grid point 88 (46/160) ======================= q-point: (-0.43 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -5.003 14.607 -1.062) 15.476 2.245 ( -10.685 16.359 -2.032) 19.645 2.251 ( -0.964 7.128 -3.396) 7.954 2.520 ( 9.771 0.883 -3.612) 10.455 2.656 ( 1.601 -16.627 -4.734) 17.361 3.036 ( 8.182 10.958 6.262) 15.041 3.188 ( 0.220 -7.302 1.019) 7.376 3.414 ( 2.535 -6.093 6.860) 9.519 3.625 ( -4.617 3.244 3.897) 6.857 3.705 ( -4.095 -0.560 1.525) 4.405 4.017 ( 3.693 -4.935 9.267) 11.129 4.041 ( -2.278 -5.747 1.948) 6.482 4.242 ( 1.401 15.112 -0.981) 15.208 4.414 ( -2.705 12.945 0.936) 13.258 4.637 ( -4.655 4.174 7.631) 9.866 4.712 ( 6.437 -1.076 -0.896) 6.588 4.822 ( -2.811 9.787 -2.272) 10.433 5.013 ( 2.007 15.571 4.072) 16.220 5.227 ( -1.747 13.664 2.398) 13.982 5.321 ( -0.282 12.342 1.632) 12.453 5.472 ( 10.357 8.280 0.375) 13.265 5.662 ( 0.679 -5.868 -1.981) 6.230 5.824 ( 2.917 -4.614 8.641) 10.220 5.875 ( -0.463 -6.839 -3.068) 7.510 6.108 ( -8.741 4.276 -4.252) 10.619 6.180 ( -10.100 -2.428 -2.153) 10.609 6.409 ( 5.057 -5.831 -2.369) 8.074 6.493 ( -0.429 -7.907 3.766) 8.769 6.647 ( -3.467 -14.800 -1.188) 15.247 6.790 ( 2.795 -17.880 0.080) 18.097 7.127 ( 1.910 -0.444 -2.053) 2.840 7.167 ( -0.971 -1.179 -0.475) 1.600 7.348 ( -0.258 0.614 1.390) 1.541 7.466 ( 2.389 -4.976 0.361) 5.531 7.589 ( -0.037 4.474 -9.734) 10.713 7.644 ( 0.626 4.358 -4.452) 6.261 7.773 ( 1.098 -0.722 -4.396) 4.588 7.867 ( 0.034 -3.537 -2.412) 4.282 8.086 ( -1.205 2.125 -2.630) 3.589 8.129 ( -0.678 -0.450 -3.079) 3.185 8.329 ( 1.688 0.847 -0.685) 2.009 8.423 ( -4.295 3.983 -2.583) 6.401 8.551 ( -3.334 -5.180 -0.922) 6.228 8.658 ( -1.532 -3.920 -2.484) 4.887 8.989 ( 4.370 2.835 5.854) 7.836 9.065 ( -2.271 -2.138 11.851) 12.254 9.766 ( 3.965 3.927 1.870) 5.885 10.076 ( 1.620 -11.030 4.356) 11.969 11.404 ( -2.296 8.200 -4.335) 9.555 11.574 ( -1.852 -0.598 0.760) 2.090 12.436 ( 1.709 2.552 -2.232) 3.797 12.565 ( -1.248 -3.775 -1.128) 4.133 14.233 ( 2.839 5.845 3.270) 7.275 14.609 ( -0.170 -9.897 2.000) 10.098 15.555 ( -1.198 10.881 -2.247) 11.175 15.930 ( -0.095 7.639 -4.667) 8.952 16.053 ( 0.088 -11.175 -4.623) 12.094 16.121 ( 2.846 -1.401 -0.219) 3.180 17.122 ( -1.585 5.011 2.450) 5.799 17.398 ( 0.210 -6.763 0.154) 6.768 ======================= Grid point 89 (47/160) ======================= q-point: (-0.29 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -7.379 18.335 -4.871) 20.356 2.086 ( -6.284 23.077 1.141) 23.944 2.250 ( 1.025 -3.955 -3.263) 5.229 2.697 ( 6.945 -8.576 -4.043) 11.753 2.756 ( 10.958 -0.111 -3.851) 11.615 3.158 ( 1.924 -8.667 -1.670) 9.034 3.321 ( 13.905 15.766 10.982) 23.718 3.483 ( 3.954 -3.098 7.052) 8.658 3.559 ( -0.689 -0.301 -0.085) 0.757 3.659 ( -1.730 0.524 6.459) 6.708 3.975 ( -5.289 2.171 6.549) 8.694 4.073 ( 0.646 -4.230 2.301) 4.858 4.247 ( -4.336 14.562 1.086) 15.233 4.376 ( 2.841 10.555 -0.450) 10.940 4.511 ( -7.654 3.593 7.161) 11.081 4.739 ( -4.789 6.084 -1.597) 7.905 4.848 ( 4.457 -0.172 1.031) 4.578 5.141 ( 10.792 14.095 0.943) 17.777 5.173 ( -5.758 18.386 2.193) 19.391 5.274 ( -2.135 7.859 -1.339) 8.253 5.614 ( -2.901 1.244 3.610) 4.796 5.737 ( -8.139 3.566 6.057) 10.754 5.795 ( 13.154 -7.566 -1.948) 15.299 5.891 ( -5.203 -0.294 -5.271) 7.413 5.954 ( 1.351 5.150 2.620) 5.934 6.033 ( -5.107 -14.419 -0.224) 15.299 6.416 ( -3.868 -16.028 -0.514) 16.496 6.466 ( -0.328 -11.990 -5.825) 13.334 6.651 ( 2.194 -8.116 -1.817) 8.601 6.837 ( 2.761 -12.536 1.127) 12.886 7.122 ( -1.376 -0.085 1.029) 1.720 7.181 ( 0.994 -1.939 -2.250) 3.132 7.343 ( -0.745 2.196 1.580) 2.806 7.489 ( -0.469 -3.870 -3.016) 4.929 7.587 ( 1.449 7.571 -5.545) 9.495 7.648 ( 1.086 2.471 -5.151) 5.816 7.738 ( -2.924 1.174 -3.224) 4.508 7.927 ( 3.725 -6.200 -6.194) 9.522 8.030 ( -2.026 1.577 -1.003) 2.756 8.106 ( -1.083 -0.999 -0.433) 1.536 8.290 ( -7.284 1.989 -0.260) 7.556 8.349 ( -2.004 1.649 -4.024) 4.788 8.455 ( -3.149 -1.922 -0.530) 3.727 8.683 ( 2.227 -5.496 0.782) 5.982 9.015 ( -4.305 -0.677 10.289) 11.174 9.087 ( 3.937 1.001 4.844) 6.322 9.867 ( 5.703 3.239 1.845) 6.813 10.128 ( 2.856 -10.298 4.577) 11.625 11.339 ( -3.408 8.864 -4.363) 10.451 11.520 ( -3.790 -0.002 0.749) 3.863 12.479 ( 3.014 0.141 -3.466) 4.595 12.556 ( 0.543 -3.318 -0.798) 3.456 14.322 ( 5.848 4.173 4.033) 8.239 14.611 ( -0.251 -8.195 1.790) 8.392 15.526 ( -1.268 10.850 -2.783) 11.273 15.900 ( -1.803 3.410 -4.756) 6.124 16.061 ( 1.083 -5.910 -5.015) 7.826 16.169 ( 2.132 -2.752 -0.114) 3.483 17.095 ( -1.542 6.571 2.586) 7.228 17.403 ( 0.294 -6.940 0.305) 6.953 ======================= Grid point 90 (48/160) ======================= q-point: (-0.14 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -0.264 21.009 -1.626) 21.073 2.001 ( -3.603 25.206 1.624) 25.514 2.260 ( 1.229 -9.727 -0.585) 9.822 2.794 ( 3.282 -11.784 -6.243) 13.734 2.959 ( 10.288 4.504 1.774) 11.370 3.190 ( 1.790 -3.949 1.584) 4.617 3.478 ( 1.861 9.603 8.797) 13.155 3.571 ( 3.649 3.432 3.925) 6.364 3.655 ( 3.484 12.096 8.531) 15.206 3.730 ( 9.411 2.806 4.277) 10.711 3.872 ( -4.782 6.896 1.986) 8.624 4.062 ( -2.349 -1.426 2.887) 3.986 4.177 ( 1.400 9.174 0.074) 9.280 4.376 ( -5.077 4.350 3.525) 7.558 4.478 ( 1.510 0.165 -1.231) 1.955 4.652 ( -2.231 9.798 0.203) 10.050 4.897 ( 0.698 -1.560 1.811) 2.490 5.026 ( -8.173 16.272 2.487) 18.379 5.187 ( -6.181 3.747 1.040) 7.302 5.397 ( 11.723 8.223 -1.428) 14.391 5.462 ( -10.909 4.830 3.609) 12.465 5.545 ( -9.360 8.778 2.982) 13.174 5.819 ( 0.563 -11.809 -6.925) 13.701 5.956 ( -0.457 0.163 2.374) 2.424 6.011 ( 1.559 -11.185 -1.352) 11.374 6.096 ( 11.735 -3.464 1.121) 12.287 6.365 ( -2.754 -14.562 -1.641) 14.911 6.435 ( 0.265 -21.176 -5.255) 21.820 6.676 ( 1.417 -3.053 -2.978) 4.494 6.896 ( 2.255 -8.235 0.422) 8.548 7.099 ( -1.171 0.102 3.575) 3.763 7.170 ( -1.760 -1.421 -0.622) 2.346 7.321 ( -1.464 3.521 0.642) 3.867 7.446 ( -2.385 -1.155 -5.314) 5.938 7.604 ( 0.588 3.658 -2.472) 4.454 7.665 ( -0.026 0.691 -8.710) 8.737 7.704 ( 2.130 4.512 -2.012) 5.380 7.892 ( -3.100 1.342 -5.074) 6.095 8.037 ( -0.860 -2.509 -4.382) 5.122 8.139 ( 0.726 -1.923 6.724) 7.031 8.171 ( -0.786 -2.390 -2.851) 3.802 8.257 ( -5.121 -2.200 -4.125) 6.934 8.462 ( 1.727 3.340 1.704) 4.128 8.723 ( 1.982 -5.206 2.161) 5.975 8.944 ( -4.674 1.080 8.049) 9.371 9.140 ( 0.752 -2.222 4.467) 5.045 9.958 ( 3.426 3.363 0.363) 4.815 10.180 ( 1.571 -8.628 3.849) 9.577 11.284 ( -1.394 8.645 -3.289) 9.354 11.453 ( -3.071 0.637 1.523) 3.487 12.512 ( 1.091 -1.743 -5.596) 5.962 12.591 ( 3.050 -4.405 1.182) 5.486 14.447 ( 6.251 0.823 4.187) 7.569 14.596 ( -1.935 -5.343 1.822) 5.968 15.506 ( -0.253 10.629 -2.986) 11.044 15.861 ( -1.318 0.958 -6.041) 6.257 16.062 ( -0.143 -1.171 -5.429) 5.556 16.196 ( 0.838 -4.238 -0.590) 4.360 17.081 ( -0.419 7.732 3.635) 8.554 17.408 ( 0.103 -6.930 0.512) 6.950 ======================= Grid point 91 (49/160) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 5.280 -15.793 3.660) 17.049 2.033 ( 5.280 15.793 3.660) 17.049 2.436 ( -1.161 -20.083 -3.374) 20.398 2.436 ( -1.161 20.083 -3.374) 20.398 3.165 ( 1.161 -4.602 3.682) 6.007 3.165 ( 1.161 4.602 3.682) 6.007 3.576 ( 0.741 -5.351 8.155) 9.782 3.576 ( 0.741 5.351 8.155) 9.782 3.887 ( 0.011 -4.885 -3.205) 5.843 3.887 ( 0.011 4.885 -3.205) 5.843 4.001 ( -6.913 -6.780 3.141) 10.180 4.001 ( -6.913 6.780 3.141) 10.180 4.394 ( 1.335 -14.442 6.720) 15.985 4.394 ( 1.335 14.442 6.720) 15.985 4.642 ( 9.529 -9.788 -2.867) 13.958 4.642 ( 9.529 9.788 -2.867) 13.958 4.882 ( -9.497 -9.940 6.895) 15.379 4.882 ( -9.497 9.940 6.895) 15.379 5.260 ( 0.036 -15.862 0.601) 15.873 5.260 ( 0.036 15.862 0.601) 15.873 5.656 ( -3.604 -7.624 -5.691) 10.173 5.656 ( -3.604 7.624 -5.691) 10.173 5.796 ( -0.034 -10.716 -0.898) 10.753 5.796 ( -0.034 10.716 -0.898) 10.753 5.976 ( 2.350 -3.315 -4.205) 5.848 5.976 ( 2.350 3.315 -4.205) 5.848 6.182 ( 1.474 -3.374 4.926) 6.150 6.182 ( 1.474 3.374 4.926) 6.150 6.821 ( 3.864 -4.242 -2.205) 6.147 6.821 ( 3.864 4.242 -2.205) 6.147 7.067 ( -2.995 -1.494 2.299) 4.061 7.067 ( -2.995 1.494 2.299) 4.061 7.383 ( 0.283 -2.957 -1.837) 3.493 7.383 ( 0.283 2.957 -1.837) 3.493 7.662 ( 1.747 -1.567 -7.842) 8.186 7.662 ( 1.747 1.567 -7.842) 8.186 7.831 ( -0.713 -2.795 -6.575) 7.180 7.831 ( -0.713 2.795 -6.575) 7.180 8.058 ( -1.355 -4.847 1.616) 5.286 8.058 ( -1.355 4.847 1.616) 5.286 8.144 ( 0.669 -4.101 -0.842) 4.239 8.144 ( 0.669 4.101 -0.842) 4.239 8.610 ( 1.579 -6.839 5.136) 8.698 8.610 ( 1.579 6.839 5.136) 8.698 9.020 ( -1.892 -7.552 3.669) 8.606 9.020 ( -1.892 7.552 3.669) 8.606 10.062 ( -0.915 -4.362 1.288) 4.640 10.062 ( -0.915 4.362 1.288) 4.640 11.407 ( 0.783 -3.446 -0.862) 3.637 11.407 ( 0.783 3.446 -0.862) 3.637 12.531 ( 0.829 -3.519 -2.109) 4.185 12.531 ( 0.829 3.519 -2.109) 4.185 14.517 ( -0.583 -2.304 3.201) 3.987 14.517 ( -0.583 2.304 3.201) 3.987 15.722 ( 0.756 -9.280 -4.881) 10.512 15.722 ( 0.756 9.280 -4.881) 10.512 16.110 ( -0.523 -3.524 -2.777) 4.517 16.110 ( -0.523 3.524 -2.777) 4.517 17.254 ( 0.085 -7.781 2.181) 8.082 17.254 ( 0.085 7.781 2.181) 8.082 ======================= Grid point 93 (50/160) ======================= q-point: ( 0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 6.948 -13.733 6.563) 16.732 2.163 ( 6.948 13.733 6.563) 16.732 2.415 ( -0.712 -17.703 -4.228) 18.215 2.415 ( -0.712 17.703 -4.228) 18.215 3.128 ( -5.443 -5.653 2.951) 8.385 3.128 ( -5.443 5.653 2.951) 8.385 3.553 ( -9.080 -4.892 3.318) 10.834 3.553 ( -9.080 4.892 3.318) 10.834 3.702 ( -8.843 -5.963 5.095) 11.820 3.702 ( -8.843 5.963 5.095) 11.820 3.996 ( 3.410 -1.593 0.344) 3.779 3.996 ( 3.410 1.593 0.344) 3.779 4.396 ( -1.111 -15.036 5.158) 15.935 4.396 ( -1.111 15.036 5.158) 15.935 4.748 ( -5.778 -13.212 5.892) 15.578 4.748 ( -5.778 13.212 5.892) 15.578 4.901 ( 13.187 -7.288 -3.139) 15.391 4.901 ( 13.187 7.288 -3.139) 15.391 5.324 ( 6.418 -17.378 -1.752) 18.607 5.324 ( 6.418 17.378 -1.752) 18.607 5.560 ( -3.609 -3.816 -4.316) 6.798 5.560 ( -3.609 3.816 -4.316) 6.798 5.780 ( -1.508 -11.193 -0.335) 11.299 5.780 ( -1.508 11.193 -0.335) 11.299 6.012 ( 0.896 -5.673 0.129) 5.745 6.012 ( 0.896 5.673 0.129) 5.745 6.221 ( 2.669 -8.132 1.804) 8.746 6.221 ( 2.669 8.132 1.804) 8.746 6.811 ( -4.322 -1.313 2.335) 5.085 6.811 ( -4.322 1.313 2.335) 5.085 7.089 ( 4.224 -1.581 -0.311) 4.521 7.089 ( 4.224 1.581 -0.311) 4.521 7.382 ( -0.534 -3.888 -2.785) 4.812 7.382 ( -0.534 3.888 -2.785) 4.812 7.695 ( 2.704 -2.086 -11.252) 11.759 7.695 ( 2.704 2.086 -11.252) 11.759 7.796 ( -1.645 -2.313 -0.423) 2.870 7.796 ( -1.645 2.313 -0.423) 2.870 8.026 ( -0.317 -1.100 -1.680) 2.033 8.026 ( -0.317 1.100 -1.680) 2.033 8.201 ( 3.977 -7.327 -1.533) 8.476 8.201 ( 3.977 7.327 -1.533) 8.476 8.647 ( 1.477 -7.115 7.092) 10.154 8.647 ( 1.477 7.115 7.092) 10.154 8.992 ( -1.732 -6.601 2.699) 7.339 8.992 ( -1.732 6.601 2.699) 7.339 10.014 ( -4.096 -4.227 0.815) 5.942 10.014 ( -4.096 4.227 0.815) 5.942 11.445 ( 3.097 -3.053 -0.519) 4.380 11.445 ( 3.097 3.053 -0.519) 4.380 12.534 ( -0.176 -4.666 -1.722) 4.977 12.534 ( -0.176 4.666 -1.722) 4.977 14.488 ( -2.861 -5.916 2.989) 7.219 14.488 ( -2.861 5.916 2.989) 7.219 15.742 ( 2.169 -8.862 -4.384) 10.122 15.742 ( 2.169 8.862 -4.384) 10.122 16.088 ( -1.202 -2.628 -3.268) 4.362 16.088 ( -1.202 2.628 -3.268) 4.362 17.258 ( -0.055 -7.122 2.273) 7.476 17.258 ( -0.055 7.122 2.273) 7.476 ======================= Grid point 95 (51/160) ======================= q-point: ( 0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 2.232 -17.385 5.411) 18.344 2.272 ( 2.232 17.385 5.411) 18.344 2.387 ( -1.010 -15.995 -4.731) 16.711 2.387 ( -1.010 15.995 -4.731) 16.711 3.001 ( -8.090 -10.468 -0.144) 13.231 3.001 ( -8.090 10.468 -0.144) 13.231 3.295 ( -11.316 -2.576 1.004) 11.649 3.295 ( -11.316 2.576 1.004) 11.649 3.714 ( 3.034 -5.617 11.973) 13.569 3.714 ( 3.034 5.617 11.973) 13.569 4.006 ( -3.251 -3.670 0.098) 4.904 4.006 ( -3.251 3.670 0.098) 4.904 4.409 ( 2.163 -8.220 1.894) 8.708 4.409 ( 2.163 8.220 1.894) 8.708 4.692 ( -1.288 -16.346 4.969) 17.134 4.692 ( -1.288 16.346 4.969) 17.134 5.034 ( 2.760 -8.329 -2.634) 9.161 5.034 ( 2.760 8.329 -2.634) 9.161 5.390 ( -0.169 -8.099 -4.157) 9.105 5.390 ( -0.169 8.099 -4.157) 9.105 5.584 ( 3.853 -9.181 -0.162) 9.958 5.584 ( 3.853 9.181 -0.162) 9.958 5.780 ( 4.007 -16.202 0.314) 16.694 5.780 ( 4.007 16.202 0.314) 16.694 6.017 ( -0.165 -8.675 1.706) 8.843 6.017 ( -0.165 8.675 1.706) 8.843 6.286 ( 4.270 -10.682 0.083) 11.504 6.286 ( 4.270 10.682 0.083) 11.504 6.715 ( -6.369 -4.111 4.214) 8.673 6.715 ( -6.369 4.111 4.214) 8.673 7.154 ( 1.828 -1.839 -0.347) 2.616 7.154 ( 1.828 1.839 -0.347) 2.616 7.352 ( -1.378 -3.032 -3.340) 4.717 7.352 ( -1.378 3.032 -3.340) 4.717 7.692 ( -0.522 -1.543 -10.850) 10.972 7.692 ( -0.522 1.543 -10.850) 10.972 7.799 ( 1.359 -6.429 -1.603) 6.764 7.799 ( 1.359 6.429 -1.603) 6.764 8.058 ( 3.701 -2.480 -1.827) 4.815 8.058 ( 3.701 2.480 -1.827) 4.815 8.266 ( 3.423 -5.893 -2.659) 7.315 8.266 ( 3.423 5.893 -2.659) 7.315 8.685 ( 0.837 -7.123 6.462) 9.654 8.685 ( 0.837 7.123 6.462) 9.654 8.967 ( -1.218 -3.806 3.872) 5.564 8.967 ( -1.218 3.806 3.872) 5.564 9.931 ( -4.517 -5.674 1.140) 7.341 9.931 ( -4.517 5.674 1.140) 7.341 11.505 ( 3.111 -3.088 -0.953) 4.486 11.505 ( 3.111 3.088 -0.953) 4.486 12.520 ( -0.963 -4.946 -1.546) 5.271 12.520 ( -0.963 4.946 -1.546) 5.271 14.434 ( -3.087 -8.943 2.921) 9.902 14.434 ( -3.087 8.943 2.921) 9.902 15.781 ( 2.449 -9.636 -3.405) 10.509 15.781 ( 2.449 9.636 -3.405) 10.509 16.060 ( -1.097 -0.607 -3.673) 3.881 16.060 ( -1.097 0.607 -3.673) 3.881 17.259 ( -0.264 -6.560 2.089) 6.890 17.259 ( -0.264 6.560 2.089) 6.890 ======================= Grid point 97 (52/160) ======================= q-point: ( 0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -4.630 -19.690 -0.795) 20.242 2.233 ( -4.630 19.690 -0.795) 20.242 2.397 ( 1.577 -8.277 -2.307) 8.736 2.397 ( 1.577 8.277 -2.307) 8.736 2.846 ( -6.723 -17.817 -3.761) 19.411 2.846 ( -6.723 17.817 -3.761) 19.411 3.218 ( 1.044 -7.729 6.008) 9.845 3.218 ( 1.044 7.729 6.008) 9.845 3.775 ( -0.728 -5.968 8.977) 10.805 3.775 ( -0.728 5.968 8.977) 10.805 3.922 ( -2.813 -6.796 1.265) 7.463 3.922 ( -2.813 6.796 1.265) 7.463 4.458 ( 2.202 -1.603 1.555) 3.137 4.458 ( 2.202 1.603 1.555) 3.137 4.692 ( -0.618 -5.844 2.870) 6.540 4.692 ( -0.618 5.844 2.870) 6.540 5.065 ( 2.501 -9.992 -1.319) 10.384 5.065 ( 2.501 9.992 -1.319) 10.384 5.377 ( -0.344 -11.675 3.294) 12.135 5.377 ( -0.344 11.675 3.294) 12.135 5.596 ( -0.067 -4.157 -1.382) 4.381 5.596 ( -0.067 4.157 -1.382) 4.381 5.896 ( 3.530 -17.562 1.016) 17.942 5.896 ( 3.530 17.562 1.016) 17.942 6.011 ( 0.628 -13.866 -3.195) 14.243 6.011 ( 0.628 13.866 -3.195) 14.243 6.393 ( 7.116 -1.932 1.078) 7.452 6.393 ( 7.116 1.932 1.078) 7.452 6.574 ( -10.084 -6.610 3.694) 12.610 6.574 ( -10.084 6.610 3.694) 12.610 7.152 ( -1.005 -2.095 -0.801) 2.458 7.152 ( -1.005 2.095 -0.801) 2.458 7.351 ( 1.461 -1.206 -0.802) 2.057 7.351 ( 1.461 1.206 -0.802) 2.057 7.670 ( 0.606 -2.230 -12.428) 12.641 7.670 ( 0.606 2.230 -12.428) 12.641 7.806 ( -0.439 -5.830 -1.543) 6.047 7.806 ( -0.439 5.830 -1.543) 6.047 8.119 ( 2.203 -1.643 -2.734) 3.876 8.119 ( 2.203 1.643 -2.734) 3.876 8.332 ( 4.348 -4.415 -1.266) 6.325 8.332 ( 4.348 4.415 -1.266) 6.325 8.664 ( -4.296 -4.805 0.925) 6.512 8.664 ( -4.296 4.805 0.925) 6.512 8.980 ( 1.660 -2.438 8.213) 8.727 8.980 ( 1.660 2.438 8.213) 8.727 9.871 ( -1.778 -7.464 1.860) 7.895 9.871 ( -1.778 7.464 1.860) 7.895 11.544 ( 1.100 -3.407 -1.706) 3.966 11.544 ( 1.100 3.407 -1.706) 3.966 12.498 ( -0.917 -4.292 -1.724) 4.716 12.498 ( -0.917 4.292 -1.724) 4.716 14.397 ( -1.245 -10.176 3.066) 10.701 14.397 ( -1.245 10.176 3.066) 10.701 15.809 ( 0.804 -11.504 -2.787) 11.864 15.809 ( 0.804 11.504 -2.787) 11.864 16.045 ( 0.401 -2.667 -3.612) 4.508 16.045 ( 0.401 2.667 -3.612) 4.508 17.255 ( -0.402 -6.468 1.774) 6.719 17.255 ( -0.402 6.468 1.774) 6.719 ======================= Grid point 99 (53/160) ======================= q-point: (-0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -5.321 -15.896 -3.696) 17.165 2.140 ( -5.321 15.896 -3.696) 17.165 2.429 ( 2.997 -2.956 -3.008) 5.174 2.429 ( 2.997 2.956 -3.008) 5.174 2.788 ( 1.696 -20.035 -4.593) 20.625 2.788 ( 1.696 20.035 -4.593) 20.625 3.302 ( 6.120 -6.512 9.510) 13.050 3.302 ( 6.120 6.512 9.510) 13.050 3.692 ( -6.232 -2.316 1.919) 6.920 3.692 ( -6.232 2.316 1.919) 6.920 3.952 ( 2.762 -0.540 6.185) 6.796 3.952 ( 2.762 0.540 6.185) 6.796 4.492 ( 1.119 -8.586 2.370) 8.977 4.492 ( 1.119 8.586 2.370) 8.977 4.656 ( -3.222 -6.407 1.616) 7.351 4.656 ( -3.222 6.407 1.616) 7.351 5.122 ( 2.288 -13.287 0.218) 13.484 5.122 ( 2.288 13.287 0.218) 13.484 5.400 ( 2.682 -16.041 3.715) 16.683 5.400 ( 2.682 16.041 3.715) 16.683 5.629 ( 3.699 -6.114 1.567) 7.316 5.629 ( 3.699 6.114 1.567) 7.316 5.846 ( -6.462 -16.409 -0.392) 17.640 5.846 ( -6.462 16.409 -0.392) 17.640 6.047 ( 1.380 -21.073 -3.281) 21.371 6.047 ( 1.380 21.073 -3.281) 21.371 6.356 ( -12.534 -10.643 0.748) 16.460 6.356 ( -12.534 10.643 0.748) 16.460 6.534 ( 6.908 -3.826 0.819) 7.939 6.534 ( 6.908 3.826 0.819) 7.939 7.142 ( 0.121 -1.293 -0.548) 1.410 7.142 ( 0.121 1.293 -0.548) 1.410 7.385 ( 1.889 -2.884 0.455) 3.477 7.385 ( 1.889 2.884 0.455) 3.477 7.680 ( 2.802 -3.679 -13.465) 14.237 7.680 ( 2.802 3.679 -13.465) 14.237 7.783 ( -1.581 -3.735 -0.617) 4.103 7.783 ( -1.581 3.735 -0.617) 4.103 8.120 ( -1.309 -0.892 -3.438) 3.786 8.120 ( -1.309 0.892 -3.438) 3.786 8.408 ( 2.731 -5.695 0.953) 6.387 8.408 ( 2.731 5.695 0.953) 6.387 8.546 ( -6.908 -5.413 -1.127) 8.849 8.546 ( -6.908 5.413 -1.127) 8.849 9.033 ( 1.807 -1.758 8.514) 8.880 9.033 ( 1.807 1.758 8.514) 8.880 9.881 ( 2.482 -7.339 2.617) 8.178 9.881 ( 2.482 7.339 2.617) 8.178 11.535 ( -1.673 -3.910 -2.274) 4.823 11.535 ( -1.673 3.910 -2.274) 4.823 12.486 ( 0.028 -3.096 -2.127) 3.756 12.486 ( 0.028 3.096 -2.127) 3.756 14.403 ( 1.236 -9.529 3.278) 10.153 14.403 ( 1.236 9.529 3.278) 10.153 15.798 ( -1.271 -11.964 -3.198) 12.449 15.798 ( -1.271 11.964 -3.198) 12.449 16.063 ( 1.953 -4.224 -2.861) 5.463 16.063 ( 1.953 4.224 -2.861) 5.463 17.251 ( -0.384 -6.926 1.548) 7.107 17.251 ( -0.384 6.926 1.548) 7.107 ======================= Grid point 101 (54/160) ======================= q-point: (-0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -4.742 -15.759 -4.981) 17.194 2.031 ( -4.742 15.759 -4.981) 17.194 2.477 ( 1.435 -11.985 -2.573) 12.342 2.477 ( 1.435 11.985 -2.573) 12.342 2.893 ( 9.564 -12.368 -2.111) 15.777 2.893 ( 9.564 12.368 -2.111) 15.777 3.471 ( 9.633 -1.431 7.878) 12.527 3.471 ( 9.633 1.431 7.878) 12.527 3.612 ( -1.281 -5.307 3.597) 6.538 3.612 ( -1.281 5.307 3.597) 6.538 3.994 ( 0.519 -2.528 4.856) 5.499 3.994 ( 0.519 2.528 4.856) 5.499 4.494 ( -2.394 -3.668 3.883) 5.853 4.494 ( -2.394 3.668 3.883) 5.853 4.608 ( -1.336 -10.123 1.734) 10.357 4.608 ( -1.336 10.123 1.734) 10.357 5.115 ( -2.746 -16.149 0.015) 16.381 5.115 ( -2.746 16.149 0.015) 16.381 5.493 ( 6.216 -14.567 0.169) 15.839 5.493 ( 6.216 14.567 0.169) 15.839 5.606 ( -10.556 -17.545 0.169) 20.476 5.606 ( -10.556 17.545 0.169) 20.476 5.812 ( 5.584 -8.113 5.009) 11.049 5.812 ( 5.584 8.113 5.009) 11.049 5.995 ( -6.398 -17.473 -0.519) 18.615 5.995 ( -6.398 17.473 -0.519) 18.615 6.180 ( -4.660 -12.685 -4.332) 14.191 6.180 ( -4.660 12.685 -4.332) 14.191 6.644 ( 5.041 -5.224 -0.556) 7.281 6.644 ( 5.041 5.224 -0.556) 7.281 7.145 ( -0.003 -1.748 0.148) 1.754 7.145 ( -0.003 1.748 0.148) 1.754 7.407 ( 0.237 -3.646 -0.815) 3.744 7.407 ( 0.237 3.646 -0.815) 3.744 7.701 ( -0.122 -1.268 -8.634) 8.727 7.701 ( -0.122 1.268 -8.634) 8.727 7.774 ( 2.441 -5.902 -4.434) 7.775 7.774 ( 2.441 5.902 -4.434) 7.775 8.076 ( -2.347 -1.950 -2.694) 4.071 8.076 ( -2.347 1.950 -2.694) 4.071 8.345 ( -7.670 -2.888 -0.133) 8.197 8.345 ( -7.670 2.888 -0.133) 8.197 8.517 ( 2.325 -8.132 2.394) 8.790 8.517 ( 2.325 8.132 2.394) 8.790 9.060 ( -0.332 -3.169 6.568) 7.300 9.060 ( -0.332 3.169 6.568) 7.300 9.958 ( 4.658 -5.926 2.900) 8.076 9.958 ( 4.658 5.926 2.900) 8.076 11.482 ( -3.268 -4.274 -2.335) 5.865 11.482 ( -3.268 4.274 -2.335) 5.865 12.493 ( 1.075 -1.981 -2.436) 3.319 12.493 ( 1.075 1.981 -2.436) 3.319 14.447 ( 2.641 -7.252 3.393) 8.431 14.447 ( 2.641 7.252 3.393) 8.431 15.762 ( -1.672 -11.106 -3.977) 11.915 15.762 ( -1.672 11.106 -3.977) 11.915 16.096 ( 1.741 -4.253 -2.329) 5.152 16.096 ( 1.741 4.253 -2.329) 5.152 17.248 ( -0.198 -7.632 1.582) 7.796 17.248 ( -0.198 7.632 1.582) 7.796 ======================= Grid point 103 (55/160) ======================= q-point: (-0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 0.102 -17.003 -1.509) 17.070 1.978 ( 0.102 17.003 -1.509) 17.070 2.468 ( -1.351 -18.961 -2.849) 19.221 2.468 ( -1.351 18.961 -2.849) 19.221 3.073 ( 8.070 -6.260 2.072) 10.421 3.073 ( 8.070 6.260 2.072) 10.421 3.546 ( 0.695 -2.393 3.831) 4.571 3.546 ( 0.695 2.393 3.831) 4.571 3.779 ( 12.562 -1.874 4.544) 13.489 3.779 ( 12.562 1.874 4.544) 13.489 4.003 ( 0.942 -4.409 4.533) 6.393 4.003 ( 0.942 4.409 4.533) 6.393 4.419 ( -5.176 -6.690 3.925) 9.325 4.419 ( -5.176 6.690 3.925) 9.325 4.600 ( -0.591 -14.282 0.294) 14.297 4.600 ( -0.591 14.282 0.294) 14.297 5.036 ( -6.408 -15.001 2.520) 16.506 5.036 ( -6.408 15.001 2.520) 16.506 5.358 ( -11.545 -16.436 1.784) 20.165 5.358 ( -11.545 16.436 1.784) 20.165 5.628 ( 6.423 -7.039 -2.213) 9.783 5.628 ( 6.423 7.039 -2.213) 9.783 5.840 ( -4.543 -5.237 0.168) 6.935 5.840 ( -4.543 5.237 0.168) 6.935 5.951 ( 2.358 -12.776 -2.930) 13.318 5.951 ( 2.358 12.776 -2.930) 13.318 6.144 ( 0.868 -6.477 1.089) 6.625 6.144 ( 0.868 6.477 1.089) 6.625 6.731 ( 5.065 -6.589 -2.363) 8.640 6.731 ( 5.065 6.589 -2.363) 8.640 7.129 ( -2.450 -2.205 1.744) 3.729 7.129 ( -2.450 2.205 1.744) 3.729 7.394 ( -0.994 -3.193 -1.924) 3.858 7.394 ( -0.994 3.193 -1.924) 3.858 7.667 ( -1.090 -1.596 -5.248) 5.593 7.667 ( -1.090 1.596 -5.248) 5.593 7.826 ( 2.909 -6.632 -9.429) 11.889 7.826 ( 2.909 6.632 -9.429) 11.889 8.048 ( 0.084 -3.673 0.466) 3.703 8.048 ( 0.084 3.673 0.466) 3.703 8.212 ( -6.233 -2.555 0.505) 6.755 8.212 ( -6.233 2.555 0.505) 6.755 8.567 ( 2.238 -7.286 3.689) 8.468 8.567 ( 2.238 7.286 3.689) 8.468 9.048 ( -1.735 -6.292 4.943) 8.188 9.048 ( -1.735 6.292 4.943) 8.188 10.039 ( 3.008 -4.939 2.295) 6.222 10.039 ( 3.008 4.939 2.295) 6.222 11.423 ( -2.219 -4.079 -1.744) 4.961 11.423 ( -2.219 4.079 -1.744) 4.961 12.513 ( 1.387 -2.165 -2.422) 3.532 12.513 ( 1.387 2.165 -2.422) 3.532 14.498 ( 1.908 -3.805 3.362) 5.424 14.498 ( 1.908 3.805 3.362) 5.424 15.731 ( -0.789 -10.154 -4.650) 11.196 15.731 ( -0.789 10.154 -4.650) 11.196 16.114 ( 0.599 -3.952 -2.376) 4.650 16.114 ( 0.599 3.952 -2.376) 4.650 17.249 ( 0.024 -8.028 1.867) 8.242 17.249 ( 0.024 8.028 1.867) 8.242 ======================= Grid point 126 (56/160) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -5.967 0.000 25.630) 26.315 1.151 ( -8.399 0.000 27.265) 28.529 1.903 ( 2.503 0.000 41.133) 41.209 2.660 ( 1.377 0.000 -10.418) 10.508 2.922 ( 9.982 0.000 -6.771) 12.062 2.938 ( 2.770 0.000 12.594) 12.895 3.055 ( -3.760 0.000 -1.046) 3.903 3.481 ( 9.359 0.000 4.458) 10.366 3.575 ( -1.086 0.000 13.211) 13.255 3.681 ( 14.748 0.000 -3.071) 15.065 3.799 ( 0.309 0.000 8.479) 8.484 3.947 ( -5.682 0.000 2.508) 6.211 4.032 ( 1.044 0.000 -7.466) 7.538 4.429 ( -1.742 0.000 -8.433) 8.611 4.455 ( -2.993 0.000 -2.117) 3.666 4.501 ( -2.185 0.000 7.361) 7.678 4.576 ( -2.717 0.000 0.365) 2.742 4.688 ( -2.936 0.000 21.209) 21.412 4.997 ( 1.037 0.000 0.805) 1.313 5.185 ( 5.803 0.000 -2.267) 6.230 5.454 ( 1.847 0.000 -4.534) 4.896 5.467 ( -15.675 0.000 1.671) 15.763 5.793 ( 8.429 0.000 1.173) 8.510 5.977 ( -1.995 0.000 -12.161) 12.324 6.252 ( 20.945 0.000 -0.656) 20.956 6.397 ( -15.850 0.000 5.628) 16.819 6.658 ( -1.865 0.000 -16.716) 16.820 6.694 ( -2.121 0.000 5.753) 6.132 6.818 ( -0.866 0.000 -10.365) 10.401 7.143 ( 11.333 0.000 -7.810) 13.764 7.173 ( -6.027 0.000 3.119) 6.786 7.177 ( -5.983 0.000 3.795) 7.085 7.261 ( 0.884 0.000 3.102) 3.226 7.437 ( 3.231 0.000 0.182) 3.236 7.638 ( -4.276 0.000 -4.908) 6.509 7.687 ( 1.865 0.000 6.333) 6.602 7.745 ( 5.739 0.000 -7.779) 9.667 7.920 ( 0.273 0.000 -12.513) 12.516 8.001 ( -2.569 0.000 -2.779) 3.784 8.117 ( -0.713 0.000 -0.130) 0.724 8.230 ( -19.417 0.000 -2.401) 19.565 8.264 ( 1.562 0.000 -6.893) 7.068 8.571 ( 2.456 0.000 -2.920) 3.816 8.650 ( 3.943 0.000 -3.976) 5.600 9.030 ( 5.542 0.000 14.580) 15.598 9.350 ( 1.885 0.000 11.380) 11.535 9.634 ( -7.544 0.000 10.723) 13.111 10.526 ( -0.318 0.000 -8.170) 8.176 11.037 ( -2.787 0.000 4.273) 5.102 11.747 ( -0.254 0.000 -2.312) 2.325 12.631 ( -0.648 0.000 -0.268) 0.702 13.531 ( 25.426 0.000 -7.858) 26.612 14.550 ( 1.929 0.000 3.509) 4.004 14.721 ( -34.952 0.000 -3.354) 35.113 15.085 ( -3.453 0.000 -0.957) 3.583 15.162 ( 15.171 0.000 -1.096) 15.211 15.421 ( 1.789 0.000 7.300) 7.516 16.459 ( -0.053 0.000 -9.574) 9.575 17.129 ( 6.253 0.000 7.139) 9.490 17.597 ( 0.155 0.000 -2.096) 2.102 ======================= Grid point 127 (57/160) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 2.984 0.000 21.573) 21.778 1.152 ( 3.939 0.000 25.239) 25.544 2.143 ( 10.374 0.000 33.938) 35.488 2.666 ( 1.568 0.000 -8.091) 8.242 2.813 ( -15.442 0.000 2.215) 15.600 2.998 ( 2.473 0.000 13.892) 14.110 3.135 ( 7.525 0.000 -9.938) 12.465 3.530 ( -4.434 0.000 6.024) 7.480 3.555 ( -2.519 0.000 13.651) 13.882 3.795 ( -1.769 0.000 -1.319) 2.207 3.879 ( -2.004 0.000 2.554) 3.246 3.969 ( 13.701 0.000 -3.690) 14.189 4.093 ( 6.645 0.000 -1.517) 6.815 4.307 ( -7.634 0.000 -7.996) 11.055 4.381 ( -6.379 0.000 -2.685) 6.921 4.481 ( -1.952 0.000 6.868) 7.140 4.574 ( 3.047 0.000 -1.109) 3.243 4.676 ( -2.597 0.000 23.059) 23.204 4.980 ( -2.352 0.000 0.358) 2.379 5.279 ( 3.703 0.000 -8.269) 9.060 5.354 ( 5.409 0.000 -1.650) 5.655 5.459 ( -1.510 0.000 2.911) 3.279 5.813 ( -11.053 0.000 -0.263) 11.056 5.894 ( -4.574 0.000 -13.538) 14.290 6.134 ( -4.861 0.000 6.912) 8.450 6.535 ( -6.213 0.000 -19.527) 20.491 6.687 ( 21.689 0.000 -3.809) 22.021 6.774 ( 7.120 0.000 7.711) 10.495 6.836 ( 2.749 0.000 -5.440) 6.095 7.004 ( -12.395 0.000 1.589) 12.497 7.060 ( -5.404 0.000 2.614) 6.003 7.292 ( 6.052 0.000 -2.400) 6.510 7.358 ( 7.942 0.000 -7.234) 10.743 7.411 ( -3.057 0.000 4.967) 5.832 7.554 ( -4.035 0.000 -1.626) 4.350 7.795 ( 0.749 0.000 -2.880) 2.976 7.839 ( -4.778 0.000 0.073) 4.778 7.910 ( 8.421 0.000 2.145) 8.690 7.925 ( 2.499 0.000 -13.837) 14.061 8.027 ( -0.246 0.000 -1.184) 1.209 8.098 ( -0.722 0.000 -2.532) 2.633 8.294 ( 1.990 0.000 -2.487) 3.186 8.600 ( 1.326 0.000 -4.877) 5.054 8.713 ( 3.104 0.000 -4.201) 5.223 9.066 ( -5.501 0.000 14.332) 15.352 9.362 ( -3.068 0.000 8.468) 9.007 9.574 ( 0.498 0.000 9.486) 9.499 10.536 ( 2.487 0.000 -1.180) 2.753 11.030 ( 0.826 0.000 2.769) 2.889 11.743 ( 0.242 0.000 -2.223) 2.236 12.602 ( -2.096 0.000 -0.709) 2.213 13.389 ( -31.614 0.000 6.584) 32.292 14.469 ( 5.679 0.000 -13.815) 14.937 14.561 ( -1.475 0.000 3.923) 4.191 15.061 ( 1.102 0.000 -0.762) 1.340 15.459 ( 0.891 0.000 7.192) 7.247 15.511 ( 19.190 0.000 -1.679) 19.263 16.432 ( -0.867 0.000 -10.801) 10.836 17.216 ( 1.748 0.000 3.478) 3.893 17.592 ( -0.262 0.000 -2.334) 2.349 ======================= Grid point 128 (58/160) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 23.496 0.000 11.560) 26.186 1.362 ( 13.777 0.000 19.947) 24.242 2.220 ( -7.837 0.000 15.184) 17.087 2.494 ( -18.232 0.000 4.420) 18.760 2.684 ( 0.501 0.000 -7.357) 7.374 3.131 ( 8.248 0.000 23.806) 25.194 3.155 ( -4.766 0.000 -9.016) 10.199 3.429 ( -5.448 0.000 2.358) 5.937 3.576 ( 3.347 0.000 7.020) 7.777 3.744 ( -3.538 0.000 2.413) 4.283 3.864 ( 0.936 0.000 1.074) 1.425 4.057 ( -4.655 0.000 -4.783) 6.675 4.181 ( -4.681 0.000 -4.101) 6.223 4.200 ( -2.049 0.000 -6.438) 6.756 4.280 ( 5.544 0.000 0.710) 5.590 4.426 ( -5.849 0.000 7.300) 9.355 4.664 ( 5.953 0.000 -2.872) 6.610 4.668 ( -2.264 0.000 22.646) 22.759 5.060 ( 11.661 0.000 -4.541) 12.514 5.253 ( -13.847 0.000 1.495) 13.928 5.327 ( -4.069 0.000 -2.229) 4.639 5.556 ( 13.691 0.000 3.097) 14.036 5.612 ( -5.103 0.000 2.674) 5.762 5.772 ( -5.774 0.000 -13.233) 14.438 6.178 ( 3.952 0.000 5.716) 6.949 6.406 ( -4.054 0.000 -14.049) 14.622 6.719 ( -15.626 0.000 2.434) 15.815 6.860 ( 0.190 0.000 -2.484) 2.491 6.910 ( 5.720 0.000 8.303) 10.082 6.998 ( 9.097 0.000 -4.088) 9.973 7.022 ( 1.816 0.000 -3.733) 4.151 7.381 ( 1.580 0.000 -8.208) 8.359 7.390 ( 0.179 0.000 6.537) 6.540 7.424 ( 1.047 0.000 -7.321) 7.396 7.522 ( 1.997 0.000 2.137) 2.924 7.783 ( 3.053 0.000 -2.583) 3.999 7.792 ( -0.328 0.000 -0.373) 0.497 7.951 ( 2.458 0.000 -9.018) 9.347 7.990 ( 0.261 0.000 -0.109) 0.283 8.087 ( 0.085 0.000 -5.520) 5.520 8.231 ( 15.982 0.000 -0.674) 15.996 8.321 ( 1.035 0.000 -0.634) 1.214 8.602 ( -0.104 0.000 -5.784) 5.785 8.748 ( 1.473 0.000 -3.900) 4.169 8.904 ( -12.110 0.000 8.750) 14.940 9.268 ( -7.359 0.000 3.130) 7.997 9.662 ( 5.499 0.000 12.537) 13.690 10.622 ( 6.404 0.000 5.567) 8.485 11.049 ( 0.321 0.000 -0.201) 0.379 11.749 ( 0.707 0.000 -2.011) 2.132 12.560 ( -2.002 0.000 -1.047) 2.259 12.814 ( -29.272 0.000 16.727) 33.715 14.519 ( -3.151 0.000 1.929) 3.694 14.578 ( 7.077 0.000 -19.099) 20.368 15.110 ( 3.555 0.000 1.784) 3.977 15.473 ( -0.657 0.000 6.649) 6.681 15.811 ( 13.404 0.000 -1.257) 13.463 16.393 ( -1.259 0.000 -11.901) 11.967 17.211 ( -2.405 0.000 2.805) 3.695 17.582 ( -0.319 0.000 -2.635) 2.654 ======================= Grid point 129 (59/160) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 16.645 0.000 15.535) 22.768 1.781 ( 23.382 0.000 8.892) 25.016 1.960 ( -17.910 0.000 5.379) 18.701 2.192 ( -14.236 0.000 7.368) 16.030 2.652 ( -1.902 0.000 -10.347) 10.521 2.976 ( -11.006 0.000 -4.922) 12.056 3.250 ( -2.170 0.000 17.504) 17.638 3.325 ( -6.104 0.000 -6.318) 8.785 3.639 ( -0.841 0.000 -2.437) 2.578 3.755 ( 5.822 0.000 12.422) 13.719 3.869 ( -10.762 0.000 -3.836) 11.426 3.950 ( 8.174 0.000 11.323) 13.965 4.080 ( -4.507 0.000 -11.192) 12.065 4.187 ( 0.307 0.000 -4.888) 4.897 4.291 ( -8.143 0.000 9.221) 12.302 4.422 ( 7.221 0.000 2.049) 7.506 4.672 ( -1.395 0.000 20.970) 21.017 4.754 ( 3.701 0.000 -3.582) 5.150 4.982 ( -9.814 0.000 6.989) 12.048 5.307 ( 13.583 0.000 -6.911) 15.240 5.310 ( -0.101 0.000 -7.201) 7.202 5.547 ( -3.779 0.000 5.138) 6.378 5.620 ( -6.817 0.000 -5.802) 8.952 5.847 ( 14.602 0.000 2.771) 14.862 6.255 ( 2.986 0.000 3.927) 4.933 6.357 ( 1.072 0.000 -7.224) 7.304 6.415 ( -15.864 0.000 2.408) 16.046 6.851 ( -0.366 0.000 -3.509) 3.528 7.007 ( 1.879 0.000 7.806) 8.029 7.081 ( 2.897 0.000 -1.121) 3.107 7.095 ( 6.278 0.000 -7.078) 9.461 7.286 ( -6.911 0.000 -8.467) 10.930 7.433 ( -0.265 0.000 -8.957) 8.961 7.442 ( 3.485 0.000 7.298) 8.087 7.605 ( 5.230 0.000 1.851) 5.548 7.769 ( -2.957 0.000 2.619) 3.950 7.889 ( 7.266 0.000 -4.194) 8.390 7.990 ( -0.261 0.000 -0.769) 0.812 7.993 ( 2.991 0.000 -9.639) 10.092 8.083 ( 1.263 0.000 -3.144) 3.388 8.316 ( -1.773 0.000 -2.611) 3.156 8.483 ( 9.984 0.000 1.931) 10.169 8.575 ( -2.294 0.000 -1.999) 3.043 8.713 ( -7.670 0.000 1.196) 7.762 8.748 ( -1.548 0.000 -2.663) 3.080 9.146 ( -3.890 0.000 -3.742) 5.397 9.780 ( 4.137 0.000 15.062) 15.620 10.787 ( 9.859 0.000 9.151) 13.452 11.023 ( -3.139 0.000 -3.136) 4.437 11.760 ( 0.755 0.000 -1.855) 2.002 12.383 ( -20.404 0.000 18.126) 27.292 12.535 ( -0.361 0.000 -1.060) 1.120 14.467 ( -2.329 0.000 -0.030) 2.329 14.660 ( 5.256 0.000 -18.095) 18.843 15.182 ( 3.454 0.000 4.232) 5.462 15.454 ( -2.597 0.000 5.692) 6.256 16.011 ( 8.465 0.000 -0.642) 8.489 16.350 ( -1.022 0.000 -12.493) 12.534 17.149 ( -4.549 0.000 2.825) 5.355 17.574 ( 0.030 0.000 -2.770) 2.770 ======================= Grid point 130 (60/160) ======================= q-point: (-0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -25.045 0.000 7.367) 26.105 1.833 ( -9.107 0.000 16.249) 18.627 2.157 ( 12.888 0.000 7.140) 14.733 2.230 ( 17.545 0.000 3.928) 17.980 2.576 ( -5.563 0.000 -4.993) 7.475 2.811 ( -3.643 0.000 -4.704) 5.950 3.135 ( -11.669 0.000 16.688) 20.363 3.194 ( -5.621 0.000 -9.783) 11.282 3.534 ( -6.986 0.000 3.103) 7.644 3.688 ( -7.957 0.000 -7.078) 10.649 3.896 ( 3.846 0.000 10.192) 10.894 3.994 ( -2.034 0.000 -9.766) 9.975 4.119 ( -3.396 0.000 7.839) 8.543 4.220 ( 14.128 0.000 6.758) 15.661 4.281 ( 6.961 0.000 -3.012) 7.584 4.538 ( 4.954 0.000 0.792) 5.017 4.658 ( -4.002 0.000 21.228) 21.602 4.770 ( -1.584 0.000 -2.971) 3.367 4.935 ( 0.316 0.000 9.271) 9.276 5.279 ( -1.772 0.000 -5.164) 5.460 5.388 ( -6.692 0.000 -11.058) 12.925 5.518 ( 1.547 0.000 1.874) 2.430 5.594 ( 7.977 0.000 -0.544) 7.996 6.094 ( 9.805 0.000 6.485) 11.756 6.104 ( -13.714 0.000 0.938) 13.747 6.367 ( 4.354 0.000 5.265) 6.832 6.420 ( 6.115 0.000 -3.305) 6.951 6.836 ( -0.540 0.000 -5.400) 5.427 7.002 ( -1.562 0.000 2.160) 2.665 7.082 ( -7.659 0.000 -8.924) 11.760 7.146 ( 2.865 0.000 3.716) 4.692 7.272 ( 9.093 0.000 -11.735) 14.846 7.397 ( -1.702 0.000 -7.265) 7.462 7.497 ( -0.028 0.000 8.158) 8.158 7.614 ( -7.586 0.000 5.132) 9.159 7.752 ( 3.315 0.000 1.413) 3.604 7.966 ( -1.654 0.000 -2.761) 3.219 7.989 ( -0.192 0.000 -16.127) 16.128 8.012 ( 5.727 0.000 -2.533) 6.263 8.151 ( 3.462 0.000 -0.992) 3.602 8.251 ( -2.411 0.000 -2.212) 3.272 8.513 ( -3.655 0.000 1.275) 3.871 8.567 ( -3.739 0.000 7.842) 8.688 8.659 ( 1.264 0.000 -1.966) 2.337 8.693 ( -0.409 0.000 -4.216) 4.235 9.155 ( 5.047 0.000 -8.002) 9.460 9.850 ( 0.398 0.000 16.295) 16.300 10.912 ( -6.761 0.000 -9.410) 11.587 11.007 ( 10.262 0.000 10.559) 14.725 11.768 ( 0.374 0.000 -1.898) 1.934 12.134 ( -9.014 0.000 22.955) 24.661 12.546 ( 1.667 0.000 -0.678) 1.799 14.439 ( -0.423 0.000 -0.980) 1.068 14.721 ( 4.593 0.000 -15.850) 16.502 15.246 ( 2.452 0.000 6.016) 6.496 15.397 ( -4.293 0.000 4.234) 6.030 16.099 ( 0.203 0.000 -7.921) 7.923 16.336 ( 2.420 0.000 -7.902) 8.264 17.060 ( -5.385 0.000 3.697) 6.531 17.575 ( 0.519 0.000 -2.634) 2.684 ======================= Grid point 131 (61/160) ======================= q-point: (-0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -16.927 0.000 14.489) 22.282 1.610 ( -16.136 0.000 21.228) 26.665 2.374 ( -16.262 0.000 17.122) 23.614 2.433 ( 14.329 0.000 -1.454) 14.403 2.472 ( 7.859 0.000 -3.075) 8.439 2.872 ( 9.343 0.000 -0.851) 9.382 2.945 ( -9.166 0.000 13.970) 16.708 3.131 ( 1.963 0.000 -7.152) 7.416 3.486 ( 0.698 0.000 7.973) 8.003 3.549 ( -5.338 0.000 -7.898) 9.533 3.901 ( -4.685 0.000 13.291) 14.093 3.985 ( 2.449 0.000 -9.703) 10.007 4.073 ( -2.087 0.000 3.467) 4.047 4.338 ( 4.627 0.000 -3.455) 5.775 4.590 ( 2.545 0.000 12.297) 12.558 4.601 ( 1.162 0.000 0.134) 1.170 4.663 ( 15.171 0.000 2.815) 15.430 4.695 ( -5.192 0.000 -1.113) 5.310 4.892 ( -6.119 0.000 13.520) 14.840 5.197 ( -10.464 0.000 -6.180) 12.153 5.271 ( 1.967 0.000 -4.651) 5.050 5.624 ( 7.721 0.000 0.809) 7.763 5.740 ( 6.181 0.000 -2.808) 6.789 5.910 ( -5.940 0.000 3.127) 6.713 6.173 ( -3.877 0.000 7.893) 8.794 6.449 ( 3.106 0.000 4.504) 5.472 6.543 ( 6.901 0.000 -3.678) 7.820 6.828 ( 2.607 0.000 -9.382) 9.737 6.961 ( -2.671 0.000 -12.265) 12.552 6.996 ( 0.560 0.000 0.544) 0.780 7.173 ( -0.884 0.000 2.707) 2.847 7.329 ( -2.486 0.000 -6.218) 6.697 7.431 ( -4.480 0.000 0.512) 4.509 7.449 ( -6.249 0.000 8.664) 10.682 7.471 ( 4.724 0.000 -6.230) 7.819 7.795 ( -0.609 0.000 0.337) 0.696 7.901 ( -4.990 0.000 -2.241) 5.470 7.964 ( 0.461 0.000 -15.023) 15.030 8.080 ( 1.079 0.000 -2.360) 2.594 8.113 ( -2.194 0.000 -6.902) 7.242 8.293 ( 1.989 0.000 -0.813) 2.149 8.464 ( -4.087 0.000 5.709) 7.021 8.473 ( 0.331 0.000 0.091) 0.343 8.717 ( 1.090 0.000 -3.608) 3.769 8.728 ( 5.662 0.000 4.257) 7.084 9.244 ( 4.383 0.000 -4.604) 6.356 9.844 ( -3.953 0.000 15.933) 16.416 10.737 ( -9.017 0.000 -11.489) 14.605 11.154 ( 2.285 0.000 2.332) 3.265 11.767 ( -0.118 0.000 -2.073) 2.076 12.215 ( 15.458 0.000 32.495) 35.984 12.586 ( 2.439 0.000 -0.183) 2.446 14.450 ( 1.674 0.000 -0.604) 1.780 14.787 ( 5.466 0.000 -12.663) 13.792 15.269 ( -3.096 0.000 5.291) 6.130 15.337 ( -0.589 0.000 4.268) 4.308 15.957 ( -13.587 0.000 -18.784) 23.183 16.405 ( 4.646 0.000 -4.132) 6.218 16.983 ( -2.985 0.000 7.324) 7.909 17.584 ( 0.777 0.000 -2.334) 2.460 ======================= Grid point 132 (62/160) ======================= q-point: (-0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.471 0.000 25.590) 25.595 1.343 ( -15.848 0.000 25.079) 29.666 2.036 ( -20.316 0.000 32.205) 38.078 2.608 ( 6.554 0.000 -6.152) 8.989 2.693 ( 14.503 0.000 -7.685) 16.413 2.876 ( -0.553 0.000 12.389) 12.401 3.035 ( 6.477 0.000 0.415) 6.491 3.272 ( 11.356 0.000 1.158) 11.415 3.502 ( 3.440 0.000 -6.359) 7.230 3.541 ( 2.243 0.000 11.439) 11.657 3.818 ( -5.008 0.000 13.584) 14.478 4.023 ( 2.533 0.000 -10.600) 10.898 4.033 ( -3.477 0.000 3.520) 4.948 4.408 ( 3.652 0.000 -5.369) 6.494 4.541 ( -5.828 0.000 -0.865) 5.892 4.551 ( -4.498 0.000 11.582) 12.425 4.634 ( -2.615 0.000 1.668) 3.102 4.730 ( -5.520 0.000 16.217) 17.131 5.028 ( -5.510 0.000 -3.321) 6.434 5.058 ( 12.358 0.000 -0.704) 12.378 5.345 ( 8.793 0.000 -10.468) 13.671 5.686 ( 0.203 0.000 6.336) 6.339 5.740 ( -9.050 0.000 2.605) 9.418 5.972 ( 10.509 0.000 1.297) 10.589 6.041 ( -5.833 0.000 -3.945) 7.042 6.492 ( 0.571 0.000 5.018) 5.050 6.641 ( 4.451 0.000 -7.532) 8.749 6.892 ( -2.113 0.000 -15.409) 15.553 6.904 ( -13.739 0.000 1.862) 13.864 6.947 ( 9.630 0.000 -9.204) 13.321 7.186 ( 3.732 0.000 0.529) 3.769 7.259 ( -4.251 0.000 -0.115) 4.253 7.304 ( -5.307 0.000 4.556) 6.995 7.367 ( -1.602 0.000 7.339) 7.512 7.622 ( 8.837 0.000 -11.408) 14.430 7.731 ( -4.826 0.000 -2.840) 5.600 7.777 ( -7.819 0.000 1.388) 7.941 7.943 ( -0.158 0.000 -13.778) 13.779 8.050 ( -2.647 0.000 -1.533) 3.059 8.109 ( 1.347 0.000 -0.104) 1.351 8.276 ( -1.250 0.000 -8.461) 8.553 8.459 ( -0.910 0.000 0.645) 1.115 8.519 ( 3.273 0.000 -0.325) 3.289 8.662 ( -5.575 0.000 -7.656) 9.471 8.872 ( 8.071 0.000 10.644) 13.358 9.294 ( 1.864 0.000 5.647) 5.947 9.761 ( -7.415 0.000 13.948) 15.797 10.583 ( -4.648 0.000 -11.534) 12.436 11.114 ( -5.055 0.000 2.116) 5.480 11.758 ( -0.397 0.000 -2.241) 2.276 12.624 ( 1.357 0.000 -0.011) 1.357 12.809 ( 40.401 0.000 22.170) 46.084 14.495 ( 2.976 0.000 1.164) 3.195 14.895 ( 8.445 0.000 -8.227) 11.790 15.176 ( -5.847 0.000 1.247) 5.978 15.373 ( 2.004 0.000 6.805) 7.094 15.499 ( -32.745 0.000 -18.054) 37.392 16.459 ( 1.900 0.000 -7.411) 7.651 17.005 ( 3.927 0.000 10.634) 11.336 17.593 ( 0.615 0.000 -2.097) 2.185 ======================= Grid point 133 (63/160) ======================= q-point: ( 0.00 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -2.968 14.627 20.959) 25.730 1.242 ( 1.210 7.733 25.439) 26.616 2.205 ( -3.606 26.371 29.845) 39.990 2.705 ( 5.884 -0.959 -4.510) 7.475 2.931 ( 2.289 3.006 3.153) 4.921 2.972 ( 4.615 6.284 -0.250) 7.800 3.106 ( -4.150 2.652 1.195) 5.068 3.541 ( 1.917 6.236 8.549) 10.754 3.656 ( 9.084 2.734 2.804) 9.893 3.677 ( 10.080 4.647 2.855) 11.460 3.789 ( -1.226 -1.389 6.253) 6.522 3.943 ( -0.388 0.146 0.942) 1.029 4.034 ( -3.306 2.037 -2.686) 4.722 4.374 ( -0.329 -5.812 -0.786) 5.874 4.470 ( -1.457 1.983 1.181) 2.730 4.542 ( -3.077 1.466 1.664) 3.793 4.628 ( -6.847 8.231 0.123) 10.707 4.700 ( -1.793 0.747 15.868) 15.987 4.962 ( 5.162 -2.201 -0.594) 5.643 5.249 ( -0.343 4.271 -0.455) 4.309 5.409 ( -3.979 -1.756 1.987) 4.781 5.520 ( -8.288 2.934 -2.756) 9.214 5.765 ( 6.344 -2.666 1.480) 7.039 5.999 ( 1.526 0.401 -11.627) 11.733 6.276 ( 17.189 2.068 -2.214) 17.454 6.350 ( -10.138 -4.073 2.816) 11.283 6.625 ( -0.065 -4.003 -5.995) 7.209 6.664 ( -7.055 -1.836 -5.401) 9.073 6.830 ( 0.168 0.438 -8.649) 8.661 7.127 ( 1.516 -2.286 -2.657) 3.819 7.140 ( 2.665 1.492 -0.171) 3.059 7.260 ( -1.929 -1.410 3.172) 3.971 7.290 ( -0.855 6.070 -0.954) 6.203 7.402 ( -1.403 -3.029 -1.406) 3.622 7.525 ( 2.170 -9.778 -0.436) 10.025 7.629 ( 0.386 -3.207 1.402) 3.522 7.740 ( 3.190 -1.478 -7.545) 8.324 7.919 ( -0.490 -0.342 -10.346) 10.363 7.932 ( -1.078 -8.741 -0.579) 8.826 8.055 ( -2.357 -0.043 -0.083) 2.359 8.190 ( -0.906 3.244 -3.441) 4.815 8.348 ( -6.425 -4.915 0.332) 8.096 8.573 ( -1.592 4.219 -2.333) 5.077 8.683 ( 2.678 1.485 -4.617) 5.540 8.993 ( 4.990 -0.476 12.309) 13.290 9.544 ( -4.751 7.606 4.060) 9.844 9.558 ( -0.962 -0.810 10.408) 10.483 10.483 ( -1.277 -4.018 -6.190) 7.489 11.061 ( -1.264 2.438 4.157) 4.982 11.684 ( 1.278 -5.558 1.873) 6.002 12.550 ( -0.751 -6.285 -1.155) 6.434 13.202 ( 13.109 -18.813 2.560) 23.073 14.618 ( -12.054 -1.051 -1.007) 12.141 14.852 ( 6.255 0.398 0.482) 6.286 15.103 ( -3.978 10.834 -7.366) 13.691 15.222 ( -2.111 6.821 -2.565) 7.587 15.585 ( 2.497 11.511 1.498) 11.873 16.410 ( 0.007 -4.434 -8.409) 9.506 17.116 ( 4.873 -0.561 8.163) 9.523 17.578 ( -0.003 -1.906 -1.871) 2.671 ======================= Grid point 134 (64/160) ======================= q-point: ( 0.14 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.749 15.613 17.805) 23.693 1.327 ( 4.305 13.681 21.780) 26.078 2.346 ( 8.104 18.877 23.970) 31.569 2.776 ( 3.665 4.381 -2.954) 6.430 2.829 ( -13.030 2.876 3.451) 13.782 3.003 ( 0.104 3.475 9.368) 9.992 3.142 ( 6.042 0.398 -7.882) 9.939 3.517 ( -2.450 1.644 11.664) 12.032 3.631 ( -9.452 3.419 3.705) 10.712 3.841 ( 1.619 6.122 6.528) 9.095 3.882 ( 2.577 -2.670 1.768) 4.110 3.900 ( 2.428 -3.378 -5.421) 6.833 4.060 ( 4.568 0.009 0.896) 4.655 4.377 ( 0.039 -0.273 -1.755) 1.776 4.415 ( -2.308 4.530 -4.368) 6.702 4.527 ( -1.052 4.797 3.794) 6.206 4.564 ( 0.611 2.393 2.674) 3.640 4.680 ( -3.435 0.710 16.477) 16.846 4.990 ( -1.700 0.741 0.011) 1.854 5.262 ( 6.169 -1.957 -5.180) 8.290 5.387 ( 1.922 2.495 -1.341) 3.422 5.437 ( -3.070 -0.138 2.910) 4.232 5.782 ( -6.536 -1.049 -1.358) 6.757 5.977 ( -5.346 3.732 -11.844) 13.520 6.106 ( -5.733 -2.165 4.846) 7.812 6.542 ( -4.005 0.399 -16.318) 16.807 6.656 ( 18.288 -3.640 -3.261) 18.930 6.677 ( 4.705 -6.789 4.941) 9.625 6.842 ( 1.984 -0.223 -4.040) 4.506 7.014 ( -11.730 1.169 -0.069) 11.789 7.077 ( -4.897 0.034 2.115) 5.334 7.324 ( 3.482 2.135 -4.610) 6.159 7.342 ( 3.011 -2.457 -0.904) 3.990 7.386 ( 3.825 -0.620 -2.821) 4.793 7.538 ( 0.395 -1.896 -0.783) 2.089 7.698 ( 1.769 -6.336 0.935) 6.645 7.826 ( 6.962 -4.175 -4.115) 9.101 7.871 ( -1.790 -1.772 0.043) 2.519 7.924 ( 3.115 -1.433 -11.020) 11.541 8.017 ( -1.024 -0.043 0.688) 1.234 8.157 ( -2.353 3.596 -0.528) 4.329 8.292 ( 1.061 -1.587 -2.342) 3.022 8.547 ( -0.811 -0.572 -2.107) 2.329 8.735 ( 2.737 0.630 -3.781) 4.710 9.025 ( -4.887 -0.848 11.250) 12.295 9.477 ( -0.179 -2.983 8.389) 8.906 9.567 ( -2.236 8.936 5.200) 10.578 10.479 ( 1.667 -5.218 -0.709) 5.523 11.069 ( 1.055 3.614 2.491) 4.515 11.712 ( 1.561 -3.315 0.284) 3.675 12.509 ( -3.322 -6.852 -0.507) 7.632 13.200 ( -13.159 -13.437 5.413) 19.571 14.351 ( -9.281 -1.897 -1.792) 9.641 14.877 ( -1.566 9.572 -5.952) 11.380 15.097 ( 3.098 8.454 -3.215) 9.561 15.355 ( 9.125 -2.252 2.846) 9.820 15.684 ( 8.005 9.103 -0.201) 12.124 16.386 ( -0.976 -4.335 -9.684) 10.655 17.193 ( 1.760 -1.528 5.208) 5.706 17.571 ( -0.359 -2.048 -2.061) 2.928 ======================= Grid point 135 (65/160) ======================= q-point: ( 0.29 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 15.872 8.278 13.302) 22.303 1.498 ( 9.992 10.167 15.501) 21.059 2.376 ( -8.564 11.050 5.429) 14.997 2.559 ( -15.002 8.703 7.976) 19.090 2.801 ( -3.405 7.138 -3.301) 8.570 3.078 ( 2.966 -0.818 10.342) 10.790 3.209 ( 3.919 0.245 -2.343) 4.573 3.456 ( -6.801 4.463 0.933) 8.188 3.551 ( 4.373 -0.925 8.111) 9.261 3.785 ( -4.909 1.573 7.825) 9.370 3.909 ( 1.481 1.970 -0.871) 2.614 3.952 ( 1.930 -3.062 -5.003) 6.175 4.082 ( -4.608 -1.250 3.256) 5.779 4.300 ( -5.940 2.378 -3.859) 7.472 4.397 ( -0.506 5.659 -2.292) 6.126 4.520 ( 0.575 10.822 4.342) 11.675 4.617 ( 1.216 -2.025 12.340) 12.564 4.676 ( 2.318 -0.590 8.081) 8.427 5.078 ( 11.409 1.162 -5.124) 12.561 5.268 ( -12.844 -2.530 6.102) 14.444 5.308 ( -4.196 2.760 -6.174) 7.959 5.551 ( 13.351 -0.537 2.035) 13.516 5.621 ( -5.199 3.425 1.730) 6.462 5.854 ( -4.275 4.083 -8.816) 10.615 6.126 ( 2.913 -4.088 1.583) 5.264 6.442 ( -3.838 2.626 -9.475) 10.555 6.697 ( -13.212 -2.791 5.390) 14.540 6.815 ( 2.615 -4.895 -0.389) 5.563 6.853 ( 1.834 -1.951 -3.243) 4.205 6.930 ( 7.095 -5.832 -2.541) 9.529 7.047 ( 1.329 1.742 -1.748) 2.803 7.356 ( 1.650 -2.471 2.397) 3.818 7.381 ( 1.736 -0.733 -7.254) 7.495 7.439 ( 0.688 1.263 -4.599) 4.819 7.549 ( 0.549 0.965 1.868) 2.173 7.751 ( 5.671 -2.348 -3.889) 7.266 7.826 ( -0.037 0.924 -2.272) 2.453 7.914 ( 1.245 -3.698 -3.555) 5.279 7.971 ( 1.080 -3.918 -6.174) 7.392 8.113 ( -1.010 3.052 -2.846) 4.294 8.138 ( 11.706 -6.157 2.125) 13.396 8.328 ( 2.406 -0.656 -2.234) 3.348 8.533 ( -0.159 -1.873 -0.729) 2.016 8.763 ( 0.797 0.333 -3.394) 3.502 8.890 ( -9.241 0.295 5.593) 10.805 9.413 ( -8.230 9.185 2.046) 12.501 9.617 ( 6.017 -3.172 11.137) 13.050 10.546 ( 5.075 -6.916 4.710) 9.786 11.088 ( 0.216 3.816 0.151) 3.825 11.742 ( 1.623 -1.686 -0.590) 2.414 12.427 ( -5.724 -7.142 1.970) 9.362 12.885 ( -17.946 1.923 8.685) 20.030 14.277 ( -0.422 -8.390 -3.111) 8.958 14.832 ( -1.501 7.608 -9.005) 11.884 15.165 ( 3.963 6.501 0.141) 7.615 15.465 ( 2.462 0.624 4.533) 5.196 15.859 ( 10.003 3.708 -1.580) 10.785 16.345 ( -1.478 -4.463 -10.799) 11.778 17.198 ( -1.799 -0.897 3.924) 4.409 17.560 ( -0.312 -2.078 -2.407) 3.195 ======================= Grid point 136 (66/160) ======================= q-point: ( 0.43 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 2.643 -0.390 10.560) 10.893 1.788 ( 21.560 1.487 8.175) 23.106 2.162 ( -9.934 4.718 2.670) 11.317 2.303 ( -14.903 19.181 11.664) 26.946 2.678 ( -6.216 -0.208 -6.560) 9.040 3.028 ( -5.481 3.019 -3.970) 7.410 3.258 ( -1.597 -0.630 2.829) 3.309 3.401 ( -1.782 9.010 -0.735) 9.214 3.662 ( 2.962 1.578 2.126) 3.972 3.761 ( 1.149 -2.146 5.601) 6.107 3.875 ( -8.269 0.355 -0.232) 8.280 3.970 ( 1.105 2.968 -2.591) 4.092 4.009 ( 3.813 1.265 9.610) 10.415 4.245 ( 0.152 1.733 -1.765) 2.478 4.336 ( -5.992 6.581 4.033) 9.771 4.561 ( 2.896 9.635 1.233) 10.136 4.646 ( -0.455 -1.523 19.710) 19.774 4.753 ( 3.686 0.076 -0.375) 3.706 5.020 ( -9.468 2.159 6.751) 11.827 5.235 ( -3.817 -2.667 -5.414) 7.141 5.300 ( 11.072 -1.318 -3.706) 11.750 5.575 ( -0.327 4.183 -3.239) 5.301 5.753 ( -2.726 6.996 -0.970) 7.570 5.833 ( 11.468 -0.491 1.622) 11.593 6.196 ( 4.377 -4.500 1.745) 6.515 6.366 ( -6.901 -0.999 2.720) 7.484 6.422 ( -9.792 2.369 -3.470) 10.656 6.848 ( 0.093 -3.373 -1.847) 3.847 6.898 ( 1.450 -5.550 -0.846) 5.798 7.025 ( 5.879 -4.578 -4.459) 8.683 7.102 ( 4.074 0.502 -1.982) 4.559 7.319 ( -5.606 1.524 -5.529) 8.020 7.385 ( 0.224 -3.072 0.776) 3.176 7.486 ( 4.078 1.472 -5.606) 7.087 7.569 ( 2.001 -2.997 2.167) 4.205 7.789 ( -2.410 0.007 1.220) 2.701 7.871 ( 3.464 -2.125 -3.485) 5.353 7.943 ( 2.132 -3.514 -5.346) 6.743 7.974 ( 1.638 -3.620 -1.707) 4.324 8.079 ( -0.804 0.101 -5.655) 5.712 8.270 ( -0.406 -3.711 -3.384) 5.039 8.419 ( 7.772 -4.918 2.710) 9.588 8.554 ( 2.412 1.504 0.403) 2.871 8.743 ( -2.447 1.455 -2.465) 3.766 8.753 ( -5.420 1.580 0.860) 5.711 9.264 ( -6.003 8.072 -3.086) 10.522 9.750 ( 5.182 -2.545 14.060) 15.200 10.671 ( 6.949 -10.310 6.791) 14.167 11.064 ( -2.730 4.388 -1.336) 5.338 11.763 ( 0.474 -1.499 -0.939) 1.832 12.301 ( -8.137 -2.410 7.913) 11.603 12.651 ( -7.833 5.761 4.130) 10.564 14.285 ( 1.461 -9.348 -2.292) 9.735 14.798 ( -0.353 5.265 -10.639) 11.876 15.233 ( 2.885 4.529 2.806) 6.058 15.484 ( -0.714 3.756 3.786) 5.380 16.022 ( 7.413 0.848 -1.348) 7.582 16.300 ( -1.199 -4.671 -11.473) 12.445 17.149 ( -3.923 0.149 3.498) 5.258 17.554 ( 0.100 -2.000 -2.588) 3.272 ======================= Grid point 137 (67/160) ======================= q-point: (-0.43 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -18.583 -0.367 4.868) 19.213 1.912 ( -15.797 0.668 14.622) 21.536 2.165 ( 7.264 -0.294 1.673) 7.460 2.304 ( 18.210 11.878 7.709) 23.068 2.611 ( -0.139 5.482 -0.517) 5.508 2.924 ( -4.313 3.225 -5.419) 7.640 3.207 ( -3.273 5.675 3.247) 7.312 3.321 ( -6.817 12.162 -1.953) 14.079 3.567 ( -8.494 2.712 0.367) 8.924 3.724 ( -6.624 3.434 -3.783) 8.365 3.846 ( 3.267 -6.166 3.344) 7.738 3.950 ( -1.982 2.021 4.726) 5.509 4.206 ( 6.115 4.667 12.327) 14.531 4.227 ( 0.085 4.028 -2.004) 4.500 4.327 ( 9.770 3.789 -0.944) 10.521 4.596 ( -1.146 1.993 4.752) 5.279 4.661 ( 0.177 2.309 16.435) 16.598 4.785 ( -0.428 2.067 -0.385) 2.146 4.953 ( -2.698 -1.677 4.245) 5.302 5.177 ( -0.675 0.869 -1.816) 2.123 5.431 ( 3.777 -2.987 0.559) 4.848 5.583 ( 0.046 7.091 -10.735) 12.866 5.690 ( 0.746 6.921 0.513) 6.980 5.982 ( -1.945 -5.328 3.133) 6.479 6.178 ( -2.617 2.058 5.625) 6.537 6.300 ( 4.747 -4.814 3.278) 7.514 6.425 ( 4.621 0.404 -1.910) 5.017 6.825 ( -2.659 -3.467 -4.098) 5.991 6.883 ( -1.143 -5.840 -4.573) 7.504 7.126 ( 2.609 -0.883 -2.543) 3.749 7.151 ( -0.084 2.180 1.248) 2.514 7.258 ( 4.988 -0.572 -10.655) 11.778 7.363 ( -2.433 -3.323 -1.911) 4.540 7.509 ( -1.133 0.940 0.734) 1.645 7.629 ( 0.482 -3.246 0.787) 3.374 7.718 ( -2.254 -1.103 3.120) 4.004 7.858 ( -3.587 -10.380 -2.691) 11.307 7.933 ( -1.105 -1.992 -9.121) 9.402 8.032 ( 1.481 1.482 -9.585) 9.811 8.109 ( 5.125 -4.011 1.449) 6.667 8.229 ( -1.490 -1.971 -1.499) 2.890 8.480 ( -1.498 -3.986 0.707) 4.317 8.608 ( -1.654 2.312 2.872) 4.041 8.639 ( -3.056 -0.813 -1.560) 3.526 8.751 ( 3.788 7.194 0.538) 8.148 9.226 ( 2.740 4.618 -5.558) 7.728 9.837 ( 1.375 -1.053 14.657) 14.759 10.783 ( 1.789 -13.741 -1.513) 13.940 11.010 ( -0.897 4.388 4.322) 6.224 11.740 ( -3.035 -3.377 0.418) 4.560 12.215 ( -1.148 6.268 11.428) 13.085 12.587 ( -0.586 2.981 1.609) 3.438 14.324 ( 3.183 -7.138 -0.858) 7.862 14.783 ( 0.640 2.785 -10.673) 11.049 15.274 ( 0.603 1.884 4.775) 5.169 15.463 ( -1.723 6.813 2.032) 7.315 16.094 ( -0.336 -0.532 -8.193) 8.218 16.289 ( 2.734 -4.350 -6.889) 8.594 17.073 ( -4.727 1.246 4.144) 6.409 17.556 ( 0.611 -1.866 -2.496) 3.176 ======================= Grid point 138 (68/160) ======================= q-point: (-0.29 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -14.273 3.003 10.717) 18.100 1.617 ( -17.407 2.841 19.958) 26.634 2.344 ( 11.426 -3.329 -0.916) 11.936 2.587 ( 5.999 6.825 0.494) 9.100 2.626 ( -1.001 18.994 12.909) 22.988 2.897 ( 3.548 1.326 -1.127) 3.951 3.139 ( -5.297 12.808 8.803) 16.420 3.214 ( 1.267 10.307 -4.257) 11.224 3.452 ( -3.765 -1.147 -0.958) 4.051 3.642 ( -1.670 7.273 1.016) 7.531 3.874 ( -0.139 -5.273 2.711) 5.931 3.911 ( -3.163 -0.313 6.777) 7.485 4.172 ( -1.919 8.123 -0.363) 8.355 4.330 ( 4.425 -1.942 -0.564) 4.865 4.541 ( -3.276 -3.331 10.716) 11.690 4.610 ( 9.118 3.292 -1.317) 9.783 4.702 ( 0.275 1.109 4.115) 4.271 4.790 ( 6.835 5.794 6.043) 10.808 4.865 ( -4.941 -1.622 0.782) 5.259 5.131 ( -6.295 2.202 0.352) 6.679 5.436 ( -2.736 8.118 -5.699) 10.289 5.623 ( 6.869 0.657 3.937) 7.944 5.770 ( 3.347 0.752 -4.140) 5.376 5.871 ( -2.865 -2.563 1.751) 4.224 6.177 ( -4.363 0.072 7.667) 8.822 6.388 ( 3.275 -4.684 2.333) 6.173 6.529 ( 6.070 -1.496 -2.128) 6.604 6.758 ( -0.410 -6.557 -9.176) 11.285 6.882 ( 1.996 -2.932 -7.069) 7.909 7.092 ( -2.028 3.769 -2.881) 5.159 7.180 ( -0.635 1.716 2.702) 3.264 7.299 ( -2.719 -3.123 -1.812) 4.520 7.385 ( 6.073 -3.968 -7.627) 10.527 7.439 ( -5.174 1.681 -1.562) 5.660 7.554 ( -4.495 2.898 4.728) 7.138 7.725 ( -4.735 -7.809 -1.379) 9.236 7.812 ( 3.713 -13.209 -2.952) 14.035 7.873 ( -3.937 -2.199 -6.868) 8.216 8.006 ( -1.488 1.024 -12.407) 12.538 8.136 ( -1.810 -1.188 -1.354) 2.554 8.276 ( 2.964 -1.666 1.000) 3.544 8.424 ( -2.747 -3.488 -0.252) 4.447 8.500 ( -2.645 -0.416 3.149) 4.134 8.698 ( 3.959 -0.428 0.633) 4.032 8.821 ( 2.451 8.865 1.152) 9.269 9.318 ( 6.827 4.023 -1.860) 8.140 9.838 ( -4.123 -0.078 12.632) 13.288 10.689 ( -7.751 -6.442 -10.636) 14.653 11.073 ( 3.277 -3.375 7.877) 9.175 11.677 ( -3.018 -5.437 3.775) 7.274 12.326 ( 10.736 5.647 10.756) 16.212 12.617 ( 3.613 2.381 3.697) 5.692 14.408 ( 6.183 -3.066 1.200) 7.006 14.786 ( 1.409 -0.183 -9.114) 9.224 15.259 ( -3.072 -0.097 4.302) 5.287 15.444 ( -0.371 8.835 1.202) 8.924 15.971 ( -10.558 0.909 -16.618) 19.709 16.358 ( 4.276 -4.275 -3.863) 7.175 17.007 ( -2.671 2.198 7.091) 7.890 17.566 ( 0.821 -1.758 -2.231) 2.957 ======================= Grid point 139 (69/160) ======================= q-point: (-0.14 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 4.014 5.421 21.929) 22.943 1.361 ( -13.418 6.861 22.889) 27.405 2.391 ( -17.030 26.718 24.540) 40.076 2.559 ( 9.898 -2.364 -2.169) 10.405 2.774 ( 10.281 4.785 -3.267) 11.801 2.946 ( 0.836 5.735 3.260) 6.650 3.135 ( 0.953 8.008 5.577) 9.805 3.362 ( 11.102 8.105 -0.483) 13.754 3.460 ( 7.912 0.325 -3.133) 8.516 3.631 ( -1.350 6.530 8.313) 10.657 3.827 ( -4.202 0.084 11.625) 12.361 3.915 ( 2.152 -4.740 -4.055) 6.599 4.123 ( -3.926 6.075 0.101) 7.234 4.383 ( 1.025 -5.232 -3.405) 6.326 4.485 ( -2.592 -0.601 6.858) 7.356 4.610 ( -4.113 2.266 5.388) 7.147 4.693 ( -1.493 3.526 8.692) 9.498 4.785 ( -5.378 6.053 2.985) 8.630 4.918 ( -2.413 -2.974 -1.074) 3.978 5.162 ( 12.450 3.871 -2.655) 13.306 5.396 ( 1.318 4.709 -7.614) 9.049 5.664 ( -2.785 -1.472 7.132) 7.797 5.748 ( -5.455 -1.028 1.858) 5.854 5.962 ( 6.079 0.044 3.034) 6.794 6.077 ( 0.174 2.525 -6.777) 7.234 6.417 ( -0.037 -6.097 1.489) 6.276 6.612 ( 3.280 -3.048 -5.907) 7.412 6.799 ( 2.156 -7.299 -8.688) 11.550 6.907 ( -4.512 -0.040 -5.255) 6.927 6.990 ( -0.588 2.505 -4.216) 4.939 7.164 ( -0.237 -0.120 0.967) 1.003 7.297 ( 0.603 0.091 -0.765) 0.979 7.313 ( -3.429 2.929 -0.193) 4.514 7.429 ( -3.366 3.496 6.608) 8.198 7.529 ( 0.084 -9.533 -7.157) 11.920 7.635 ( -1.027 -6.825 -3.525) 7.750 7.771 ( -5.245 -1.096 -3.864) 6.606 7.898 ( 4.171 -11.697 -1.261) 12.482 7.956 ( -1.300 0.076 -12.186) 12.255 8.097 ( -2.157 0.623 0.109) 2.248 8.234 ( -3.385 0.287 -5.091) 6.120 8.424 ( -1.292 -5.974 2.802) 6.724 8.536 ( 4.824 -0.017 1.673) 5.105 8.724 ( -2.937 2.741 -4.963) 6.386 8.871 ( 4.607 3.893 6.998) 9.238 9.448 ( 6.558 8.217 4.124) 11.293 9.722 ( -9.833 -1.467 9.360) 13.654 10.547 ( -4.701 -3.823 -9.373) 11.161 11.093 ( -1.886 -0.932 4.678) 5.129 11.661 ( 0.315 -7.001 4.031) 8.084 12.523 ( 5.065 -5.605 0.102) 7.555 12.827 ( 20.003 -1.039 10.750) 22.733 14.564 ( 9.937 3.399 3.068) 10.941 14.800 ( 1.069 -6.098 -5.347) 8.180 15.187 ( -4.564 1.044 0.637) 4.725 15.424 ( -5.050 7.418 -2.327) 9.270 15.671 ( -15.137 10.443 -12.934) 22.483 16.407 ( 1.859 -4.615 -6.383) 8.093 17.021 ( 2.725 1.595 9.960) 10.448 17.576 ( 0.543 -1.769 -1.969) 2.702 ======================= Grid point 140 (70/160) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 10.306 13.433 17.786) 24.556 1.595 ( -3.441 21.224 13.345) 25.306 2.578 ( 5.817 -4.442 7.311) 10.345 2.853 ( -1.901 17.516 3.369) 17.938 2.948 ( -1.524 1.748 -2.839) 3.666 3.151 ( 0.221 5.808 -0.981) 5.894 3.233 ( 0.936 16.494 11.711) 20.251 3.651 ( 0.457 1.447 1.865) 2.405 3.695 ( -1.524 6.689 14.160) 15.735 3.783 ( 2.977 1.684 3.847) 5.147 3.848 ( 5.608 4.667 2.359) 7.668 4.043 ( 0.612 3.812 0.336) 3.876 4.105 ( -3.079 7.602 -2.319) 8.524 4.280 ( 1.242 1.800 2.303) 3.176 4.516 ( -1.441 0.601 9.737) 9.862 4.600 ( -1.665 5.783 1.801) 6.282 4.702 ( -4.328 2.490 6.337) 8.067 4.877 ( -3.187 11.282 -2.549) 11.997 4.943 ( 6.586 1.692 -1.331) 6.928 5.282 ( -13.294 -1.647 4.820) 14.236 5.426 ( 1.977 3.771 3.971) 5.822 5.569 ( -3.035 0.345 -4.531) 5.464 5.705 ( 4.074 -1.648 -0.773) 4.463 5.974 ( 2.441 -2.094 -8.369) 8.966 6.209 ( -4.875 -7.947 -0.921) 9.369 6.312 ( 11.797 -1.882 -2.854) 12.282 6.519 ( -0.712 -6.118 -2.386) 6.605 6.591 ( -4.290 -5.224 -7.631) 10.195 6.783 ( 0.661 -6.739 -3.352) 7.555 7.061 ( -3.726 -10.152 0.109) 10.815 7.123 ( 2.690 -1.273 -9.306) 9.770 7.198 ( 0.096 -0.234 0.291) 0.385 7.287 ( 0.699 -0.855 1.754) 2.073 7.367 ( 5.033 -3.705 0.156) 6.252 7.463 ( -3.054 4.567 -1.324) 5.651 7.553 ( 0.003 -4.038 -1.766) 4.408 7.707 ( 1.963 -1.596 -5.588) 6.134 7.790 ( 3.487 -3.524 -1.629) 5.218 7.903 ( -1.051 -0.855 -7.790) 7.907 8.048 ( -3.274 0.205 -1.373) 3.556 8.177 ( -4.321 -5.011 1.127) 6.712 8.362 ( 1.160 6.416 1.242) 6.638 8.561 ( 1.568 -4.499 3.167) 5.721 8.718 ( -0.402 1.582 -4.047) 4.364 9.047 ( 3.353 3.863 6.974) 8.649 9.363 ( -7.394 -9.714 8.520) 14.886 9.817 ( 0.780 10.405 -0.218) 10.436 10.365 ( -2.419 -6.914 -2.487) 7.736 11.143 ( 1.021 5.344 3.103) 6.263 11.559 ( 1.941 -5.200 4.913) 7.412 12.437 ( -0.708 -3.691 -4.327) 5.732 12.883 ( 5.578 -12.707 0.911) 13.907 14.577 ( -10.264 -1.743 2.012) 10.603 14.769 ( 7.420 -4.581 5.534) 10.328 15.278 ( 4.016 6.875 -3.416) 8.664 15.475 ( -5.833 11.736 -13.292) 18.666 15.809 ( 0.836 9.016 -2.551) 9.407 16.287 ( -0.118 -6.852 -5.847) 9.008 17.129 ( 2.590 1.967 7.762) 8.415 17.517 ( -0.169 -3.882 -1.054) 4.026 ======================= Grid point 141 (71/160) ======================= q-point: ( 0.14 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -1.342 20.577 11.774) 23.746 1.637 ( 5.826 15.499 16.648) 23.480 2.695 ( 3.143 -6.042 5.124) 8.523 2.783 ( -7.742 13.889 -1.792) 16.002 2.925 ( 3.186 0.223 3.063) 4.426 3.167 ( 1.521 3.294 -3.731) 5.204 3.237 ( -4.267 20.725 11.125) 23.906 3.532 ( -7.668 -1.434 8.916) 11.847 3.707 ( -4.338 4.793 5.136) 8.256 3.812 ( 0.571 0.611 2.338) 2.483 3.926 ( -1.246 0.731 3.029) 3.356 3.989 ( 0.412 1.814 0.813) 2.030 4.125 ( 2.087 9.730 5.722) 11.479 4.328 ( 3.385 0.063 -0.597) 3.437 4.542 ( 1.322 5.283 3.818) 6.651 4.588 ( -0.480 5.303 7.573) 9.257 4.674 ( -0.728 5.745 2.966) 6.506 4.829 ( -3.146 11.293 1.354) 11.801 5.004 ( -0.180 1.450 -1.849) 2.357 5.200 ( 7.115 -3.196 -1.039) 7.869 5.435 ( -0.890 1.843 2.648) 3.347 5.473 ( -4.374 2.478 0.008) 5.027 5.779 ( 2.150 0.951 -3.188) 3.962 6.002 ( -1.611 -0.923 -9.488) 9.668 6.043 ( -8.972 -4.057 0.698) 9.871 6.479 ( 0.020 -7.777 1.304) 7.886 6.512 ( 7.400 -9.772 -0.454) 12.266 6.580 ( 4.384 -3.323 -7.580) 9.365 6.813 ( 1.622 -3.238 -4.037) 5.423 7.008 ( -5.866 -2.797 -4.291) 7.788 7.061 ( -3.391 0.125 -0.554) 3.438 7.234 ( 3.613 -5.518 -6.112) 8.992 7.312 ( 1.366 -3.671 2.959) 4.909 7.460 ( 3.184 5.895 -2.283) 7.078 7.479 ( 4.578 -3.408 -2.165) 6.104 7.565 ( 2.248 -6.256 -0.383) 6.659 7.733 ( 1.337 -2.728 -6.041) 6.762 7.829 ( 0.573 -1.454 -0.579) 1.667 7.901 ( 2.318 -0.794 -6.748) 7.179 8.009 ( 0.032 -0.556 -0.289) 0.627 8.094 ( -2.939 -5.121 -0.000) 5.905 8.406 ( 2.546 9.778 2.050) 10.309 8.532 ( -3.301 -3.002 0.451) 4.485 8.735 ( 2.073 -0.095 -3.536) 4.100 9.067 ( -5.286 3.988 5.617) 8.683 9.307 ( 2.878 -9.947 9.941) 14.354 9.793 ( -4.283 9.202 0.453) 10.160 10.334 ( -0.227 -8.085 0.060) 8.088 11.176 ( 1.838 6.323 1.579) 6.772 11.613 ( 2.745 -5.174 3.709) 6.933 12.401 ( -2.305 -2.793 -3.522) 5.051 12.921 ( -1.961 -12.925 0.756) 13.095 14.366 ( -11.106 2.739 2.387) 11.685 14.850 ( 0.909 -5.756 3.138) 6.618 15.346 ( 0.448 6.722 -3.057) 7.398 15.437 ( 6.125 11.328 -9.674) 16.107 15.851 ( 3.738 6.595 -1.809) 7.794 16.262 ( -1.356 -7.009 -6.939) 9.956 17.179 ( 1.260 0.581 6.344) 6.494 17.508 ( -0.500 -3.859 -1.204) 4.073 ======================= Grid point 142 (72/160) ======================= q-point: ( 0.29 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.625 16.352 10.759) 20.366 1.745 ( 4.056 13.230 10.602) 17.433 2.539 ( -15.580 5.748 -1.740) 16.698 2.705 ( -2.016 -1.603 1.347) 2.907 3.007 ( 0.078 -4.786 -1.722) 5.086 3.041 ( -17.644 12.912 7.138) 23.000 3.219 ( 4.633 2.442 -0.133) 5.239 3.465 ( 0.052 -3.555 3.984) 5.340 3.669 ( 1.577 9.342 4.640) 10.550 3.817 ( -3.598 2.973 -5.924) 7.542 3.888 ( 2.348 3.922 14.474) 15.178 4.049 ( 3.240 1.351 5.011) 6.119 4.150 ( -1.681 8.268 2.283) 8.740 4.323 ( -3.972 4.534 -0.649) 6.063 4.561 ( -1.589 0.349 12.834) 12.936 4.612 ( 2.819 7.014 5.238) 9.197 4.644 ( 0.133 5.627 -2.471) 6.147 4.809 ( 1.345 10.756 3.649) 11.437 5.097 ( 6.082 3.517 -2.372) 7.416 5.240 ( -3.354 -0.916 -0.082) 3.478 5.386 ( -5.374 3.966 0.729) 6.719 5.532 ( 10.138 -1.226 -0.002) 10.212 5.742 ( -4.045 6.542 -0.689) 7.722 5.900 ( -1.037 0.883 -1.415) 1.964 6.018 ( 1.847 -5.697 -4.026) 7.216 6.462 ( -1.471 -4.437 -2.227) 5.178 6.574 ( -2.994 -4.020 6.361) 8.098 6.716 ( 8.917 -11.317 -5.409) 15.390 6.793 ( -4.542 -5.810 0.421) 7.386 6.843 ( -4.111 4.326 -10.247) 11.858 7.060 ( 1.492 -1.655 0.509) 2.286 7.290 ( 2.104 -3.840 -0.720) 4.438 7.348 ( 2.851 -2.550 -6.351) 7.414 7.474 ( -2.427 1.037 0.122) 2.642 7.515 ( 1.456 -3.271 -3.280) 4.856 7.643 ( 4.205 -9.640 -2.019) 10.710 7.740 ( 0.289 -5.777 -4.552) 7.360 7.846 ( 2.447 1.541 -3.028) 4.187 7.933 ( 1.781 -1.953 -6.421) 6.944 8.017 ( 0.257 -2.174 -1.140) 2.468 8.150 ( 8.847 -1.940 1.339) 9.156 8.396 ( -4.314 6.895 1.188) 8.219 8.527 ( 2.961 0.019 0.793) 3.065 8.754 ( 0.240 -1.131 -3.286) 3.483 8.938 ( -6.995 3.978 1.872) 8.262 9.420 ( 3.607 -6.981 12.938) 15.137 9.684 ( -5.089 7.769 -0.495) 9.300 10.358 ( 2.051 -10.384 3.509) 11.151 11.205 ( 0.859 6.983 -0.132) 7.037 11.664 ( 1.953 -4.849 2.416) 5.759 12.349 ( -2.535 -0.786 -2.565) 3.691 12.827 ( -7.352 -6.976 1.602) 10.261 14.219 ( -4.884 2.441 2.016) 5.820 14.841 ( -1.557 -4.524 0.223) 4.790 15.344 ( 0.667 8.309 -3.289) 8.961 15.553 ( 5.718 7.615 -2.958) 9.972 15.934 ( 5.506 2.992 -2.481) 6.740 16.217 ( -2.091 -7.389 -8.081) 11.148 17.191 ( -0.986 0.543 5.066) 5.189 17.497 ( -0.377 -3.858 -1.538) 4.171 ======================= Grid point 143 (73/160) ======================= q-point: ( 0.43 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -2.275 7.501 7.556) 10.887 1.905 ( 12.813 9.827 5.834) 17.169 2.246 ( -13.826 5.297 0.174) 14.807 2.597 ( -14.167 -3.399 -2.178) 14.731 2.788 ( -2.485 18.185 10.444) 21.117 2.936 ( -5.387 -9.838 -7.788) 13.655 3.289 ( 2.292 -0.683 1.742) 2.959 3.507 ( 2.046 -1.799 -3.659) 4.562 3.691 ( -1.124 1.645 4.677) 5.084 3.771 ( 0.461 5.227 -0.578) 5.279 3.932 ( -4.886 8.867 4.519) 11.087 4.087 ( -0.623 1.917 -0.679) 2.127 4.154 ( 8.852 9.685 8.484) 15.624 4.286 ( -1.220 7.640 6.449) 10.072 4.535 ( -3.190 5.978 6.569) 9.438 4.625 ( -0.334 4.352 10.044) 10.952 4.725 ( 4.551 4.959 -0.132) 6.732 4.862 ( 3.054 11.440 4.583) 12.697 5.031 ( -8.749 2.189 4.984) 10.304 5.271 ( -0.503 1.998 -1.237) 2.403 5.300 ( 2.236 3.715 0.475) 4.362 5.626 ( 0.167 -0.566 -7.752) 7.774 5.793 ( 7.796 -0.632 3.864) 8.724 5.918 ( 2.149 6.067 -1.779) 6.678 6.086 ( 4.839 -5.760 -0.082) 7.524 6.379 ( -12.927 2.957 5.036) 14.185 6.432 ( -3.095 -3.556 0.630) 4.756 6.755 ( 1.467 -5.420 -4.491) 7.190 6.781 ( -2.705 -3.842 -6.407) 7.945 6.887 ( 8.499 -9.096 -5.312) 13.535 7.114 ( 4.126 -2.056 1.099) 4.738 7.288 ( -2.006 -3.615 2.439) 4.800 7.354 ( -2.506 0.122 -5.879) 6.392 7.449 ( 0.977 -3.902 -5.635) 6.923 7.518 ( 0.026 -2.255 -4.285) 4.842 7.683 ( -0.321 -13.825 0.504) 13.838 7.742 ( 1.515 -3.357 -0.973) 3.809 7.874 ( -0.058 0.037 -5.060) 5.060 7.950 ( 1.969 -0.779 -6.449) 6.788 8.041 ( 2.477 -1.687 -2.386) 3.831 8.295 ( -2.315 -0.420 -1.010) 2.560 8.349 ( 6.172 3.139 2.782) 7.462 8.578 ( 1.998 -0.765 -1.325) 2.517 8.721 ( -3.613 -2.075 -2.804) 5.022 8.869 ( 0.247 7.598 2.192) 7.912 9.383 ( -6.914 1.688 4.245) 8.287 9.708 ( 5.372 -0.079 8.357) 9.935 10.410 ( 2.583 -13.492 4.794) 14.549 11.198 ( -1.506 7.863 -1.206) 8.096 11.684 ( -0.365 -4.744 1.658) 5.039 12.310 ( -0.941 1.855 -1.674) 2.670 12.695 ( -6.292 -2.049 1.683) 6.827 14.185 ( 0.591 0.558 2.104) 2.256 14.808 ( -1.605 -3.693 -1.716) 4.377 15.351 ( 0.190 6.727 -0.804) 6.777 15.626 ( 2.620 8.840 -1.394) 9.325 16.036 ( 5.371 0.177 -2.609) 5.974 16.164 ( -1.748 -7.982 -9.221) 12.321 17.164 ( -2.670 1.405 4.349) 5.293 17.491 ( 0.104 -3.865 -1.752) 4.244 ======================= Grid point 144 (74/160) ======================= q-point: (-0.43 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -14.622 8.140 0.863) 16.757 1.984 ( -9.501 9.121 12.199) 17.952 2.168 ( 4.350 1.245 0.334) 4.537 2.473 ( 7.541 1.610 -1.033) 7.780 2.823 ( -3.634 -10.533 -7.983) 13.707 2.881 ( 7.937 17.065 7.728) 20.345 3.317 ( 0.350 -0.173 4.897) 4.912 3.465 ( -4.512 1.473 -7.186) 8.612 3.718 ( 2.320 0.222 -0.393) 2.364 3.763 ( -2.444 7.718 3.395) 8.779 3.832 ( -3.418 9.655 5.710) 11.726 4.079 ( -2.590 4.704 -2.677) 6.000 4.238 ( -2.028 6.263 13.781) 15.272 4.389 ( 9.414 1.588 5.633) 11.085 4.476 ( -2.425 13.409 1.024) 13.665 4.643 ( 1.564 4.608 11.940) 12.893 4.742 ( -3.052 4.591 1.749) 5.784 4.894 ( -5.264 0.470 3.100) 6.127 4.918 ( 0.764 11.716 2.968) 12.110 5.318 ( 2.338 6.186 2.527) 7.080 5.372 ( 7.582 1.114 3.766) 8.539 5.633 ( 3.502 -2.376 -11.950) 12.677 5.860 ( -3.804 6.378 0.660) 7.455 5.902 ( -4.961 -0.231 0.506) 4.992 6.156 ( 1.285 -6.068 4.809) 7.848 6.218 ( -0.544 -1.193 4.003) 4.212 6.436 ( 2.645 -0.393 -1.080) 2.884 6.695 ( -5.429 -6.917 -7.350) 11.460 6.777 ( 1.543 -5.182 -1.858) 5.717 7.016 ( 5.947 -10.290 -5.585) 13.131 7.194 ( 3.000 -1.789 -0.058) 3.493 7.249 ( -1.748 -4.426 0.089) 4.759 7.290 ( -2.037 2.211 -2.819) 4.122 7.442 ( 0.084 -8.087 -5.728) 9.910 7.523 ( -0.122 -2.932 -6.992) 7.583 7.638 ( -2.512 -5.405 1.763) 6.216 7.743 ( -3.924 -0.735 2.037) 4.482 7.863 ( 1.287 -5.074 -11.105) 12.277 7.998 ( 3.748 -2.158 -1.672) 4.637 8.071 ( 0.847 -1.073 -3.544) 3.798 8.234 ( -2.214 3.026 -0.752) 3.824 8.402 ( -1.591 -1.977 1.192) 2.803 8.595 ( -5.331 -3.022 -2.728) 6.708 8.648 ( 2.032 0.288 -0.999) 2.282 8.944 ( 5.682 9.483 4.188) 11.822 9.290 ( -2.277 1.120 1.735) 3.074 9.818 ( 3.775 -0.423 10.134) 10.822 10.458 ( 1.571 -15.602 2.869) 15.941 11.152 ( -2.823 8.398 -0.201) 8.862 11.652 ( -3.248 -4.146 1.681) 5.529 12.319 ( 2.332 2.993 -1.794) 4.196 12.620 ( -1.893 -0.831 1.841) 2.769 14.240 ( 4.715 0.075 3.002) 5.590 14.780 ( -1.054 -3.193 -2.409) 4.136 15.342 ( -1.298 5.334 0.629) 5.526 15.652 ( 0.626 9.972 -1.676) 10.132 16.064 ( -2.111 -3.057 -9.152) 9.877 16.171 ( 4.282 -5.989 -4.244) 8.498 17.114 ( -3.241 2.725 4.597) 6.250 17.496 ( 0.629 -3.879 -1.721) 4.290 ======================= Grid point 145 (75/160) ======================= q-point: (-0.29 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -10.104 12.056 4.275) 16.301 1.799 ( -10.748 14.483 14.675) 23.251 2.299 ( 9.135 -1.360 0.974) 9.287 2.684 ( 11.087 3.057 0.577) 11.515 2.787 ( 1.892 -7.576 -6.715) 10.299 3.101 ( 11.282 15.458 7.516) 20.561 3.321 ( -1.587 4.951 9.587) 10.906 3.389 ( 0.468 3.222 -8.126) 8.753 3.656 ( -5.648 21.728 -3.860) 22.779 3.779 ( 0.034 -3.868 9.946) 10.671 3.807 ( -1.602 6.569 11.392) 13.248 3.988 ( -4.103 7.691 -0.590) 8.737 4.243 ( -0.127 -1.126 4.566) 4.704 4.379 ( -5.264 3.732 3.460) 7.322 4.525 ( 0.927 6.648 7.635) 10.166 4.666 ( -4.717 -0.195 10.530) 11.540 4.793 ( 9.221 10.280 -2.749) 14.081 4.823 ( -1.701 1.810 -2.449) 3.489 4.958 ( 6.188 8.015 3.502) 10.714 5.245 ( -9.118 4.791 2.678) 10.642 5.561 ( 6.338 4.544 -6.339) 10.050 5.679 ( -4.698 4.539 4.431) 7.894 5.754 ( -1.449 -0.149 -0.825) 1.674 5.826 ( 4.111 -2.409 -2.362) 5.318 6.153 ( -3.553 -3.155 8.299) 9.563 6.267 ( 1.244 -6.741 1.017) 6.930 6.490 ( 2.805 -2.872 -3.429) 5.280 6.585 ( -2.703 -9.617 -9.571) 13.834 6.828 ( 4.684 -2.956 -1.652) 5.780 7.070 ( -0.196 -9.046 -1.692) 9.205 7.198 ( -0.938 -3.012 -0.562) 3.204 7.210 ( -2.232 -9.286 -5.496) 11.019 7.286 ( 0.280 1.158 -2.468) 2.741 7.448 ( -4.630 -2.051 1.138) 5.191 7.479 ( 3.478 -2.736 -8.501) 9.583 7.622 ( -2.533 -2.019 -1.295) 3.488 7.655 ( -2.077 -0.933 1.294) 2.619 7.837 ( -2.479 -2.487 -10.474) 11.047 8.001 ( -2.571 -2.311 -5.803) 6.755 8.112 ( 2.967 -0.866 -1.917) 3.637 8.230 ( 1.454 -0.831 0.776) 1.845 8.350 ( -2.986 -2.524 1.569) 4.213 8.482 ( -3.773 -1.136 0.870) 4.035 8.703 ( 2.579 0.304 -0.653) 2.678 9.019 ( 0.882 8.586 2.153) 8.895 9.328 ( 5.048 -2.962 6.324) 8.617 9.861 ( -0.754 2.298 5.840) 6.321 10.461 ( -1.486 -13.021 -1.259) 13.165 11.117 ( -0.814 6.426 3.090) 7.177 11.584 ( -3.873 -3.384 2.743) 5.829 12.381 ( 4.215 0.353 -3.638) 5.579 12.635 ( 3.127 -1.739 3.050) 4.701 14.369 ( 8.612 0.170 4.381) 9.664 14.758 ( -1.137 -2.922 -1.726) 3.579 15.306 ( -2.457 5.039 0.101) 5.607 15.648 ( -0.682 9.486 -2.816) 9.919 15.976 ( -5.219 -0.818 -12.189) 13.284 16.244 ( 3.533 -6.053 -3.472) 7.822 17.072 ( -1.863 3.942 6.202) 7.581 17.507 ( 0.786 -3.899 -1.494) 4.249 ======================= Grid point 146 (76/160) ======================= q-point: (-0.14 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 5.485 13.747 12.868) 19.612 1.661 ( -6.650 19.495 14.792) 25.359 2.457 ( 6.908 -4.886 4.231) 9.460 2.825 ( 4.252 0.417 -1.513) 4.533 2.905 ( 8.940 5.430 -1.763) 10.608 3.160 ( -3.046 16.657 5.716) 17.871 3.262 ( -5.857 11.159 11.320) 16.941 3.522 ( 8.573 7.769 -4.380) 12.371 3.641 ( 8.327 12.884 0.492) 15.348 3.767 ( -2.360 0.869 12.405) 12.657 3.796 ( -2.139 3.640 11.134) 11.908 3.977 ( 2.913 7.588 -4.127) 9.116 4.216 ( -4.682 -0.184 0.525) 4.715 4.283 ( -3.231 1.382 1.852) 3.972 4.537 ( -1.041 5.355 8.894) 10.434 4.624 ( -2.289 -0.321 10.936) 11.178 4.791 ( -4.410 7.810 3.382) 9.585 4.836 ( 2.868 1.364 -3.634) 4.826 5.036 ( -11.431 9.431 -1.045) 14.856 5.234 ( 17.238 3.913 -2.702) 17.882 5.496 ( -8.156 3.643 -1.041) 8.993 5.624 ( -6.284 -2.641 5.470) 8.740 5.696 ( 0.764 -2.359 -2.971) 3.869 6.003 ( -1.240 3.601 5.357) 6.573 6.097 ( 8.268 -1.294 -6.036) 10.318 6.254 ( -1.184 -9.395 -2.012) 9.681 6.518 ( 1.388 -5.997 -6.759) 9.142 6.599 ( 3.577 -11.317 -5.494) 13.078 6.876 ( -4.750 -5.366 -0.514) 7.184 7.037 ( 3.135 0.942 -3.590) 4.858 7.147 ( -3.925 -16.656 -3.891) 17.549 7.198 ( 0.202 1.950 1.173) 2.285 7.276 ( 0.292 -2.090 -6.599) 6.928 7.359 ( -3.594 -0.917 2.706) 4.591 7.536 ( -3.924 3.670 -1.790) 5.663 7.540 ( 2.228 -1.617 -3.866) 4.746 7.684 ( 2.359 -5.611 -0.326) 6.095 7.765 ( -2.008 -1.618 -6.405) 6.905 7.945 ( -1.926 -1.573 -8.101) 8.474 8.113 ( -2.646 2.161 -1.064) 3.578 8.219 ( -0.949 -3.432 -4.678) 5.879 8.356 ( 0.236 -0.964 5.780) 5.864 8.484 ( 3.695 -2.549 3.725) 5.833 8.733 ( 0.521 0.020 -1.513) 1.600 9.012 ( -0.588 6.253 2.301) 6.689 9.421 ( 0.995 -7.681 11.142) 13.570 9.824 ( -2.274 8.115 -1.038) 8.491 10.416 ( -2.492 -8.208 -2.806) 9.025 11.125 ( 0.492 4.419 4.183) 6.104 11.540 ( -1.092 -4.058 4.520) 6.172 12.435 ( 1.950 -2.995 -4.845) 6.021 12.745 ( 7.659 -6.310 2.780) 10.306 14.565 ( 10.864 -1.957 5.338) 12.262 14.717 ( -3.721 -2.446 0.486) 4.480 15.264 ( -1.347 6.255 -2.272) 6.790 15.603 ( -4.128 7.847 -7.644) 11.707 15.852 ( -4.816 6.561 -9.002) 12.136 16.284 ( 1.516 -6.677 -4.629) 8.264 17.076 ( 1.124 3.728 7.927) 8.832 17.516 ( 0.421 -3.905 -1.206) 4.108 ======================= Grid point 147 (77/160) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 10.645 17.326 10.540) 22.904 2.025 ( -3.589 18.686 7.529) 20.463 2.435 ( 6.813 -8.861 7.070) 13.226 2.704 ( 0.205 -13.623 -3.360) 14.033 3.125 ( -0.774 5.803 1.481) 6.039 3.267 ( 1.622 3.656 -0.598) 4.044 3.644 ( -5.172 -1.033 1.962) 5.627 3.702 ( 9.494 5.158 0.221) 10.807 3.837 ( -1.640 4.245 5.100) 6.835 3.895 ( -2.075 6.304 9.920) 11.935 3.928 ( -5.882 12.737 9.319) 16.843 4.068 ( -6.723 12.217 6.433) 15.356 4.240 ( 1.497 1.087 4.387) 4.761 4.407 ( 4.278 5.967 3.711) 8.226 4.536 ( 4.182 1.245 4.769) 6.464 4.738 ( 0.106 2.821 2.453) 3.740 4.900 ( -1.690 17.872 1.817) 18.044 4.996 ( 1.703 5.120 0.014) 5.395 5.064 ( -7.391 1.268 2.284) 7.840 5.274 ( -11.144 3.717 0.414) 11.755 5.491 ( -3.646 -0.427 0.560) 3.713 5.553 ( 4.103 1.611 -2.912) 5.283 5.696 ( 5.830 0.097 -5.982) 8.354 5.938 ( -0.783 -1.645 -3.843) 4.253 5.999 ( 0.391 -11.988 -3.285) 12.437 6.135 ( -1.800 -16.349 0.839) 16.470 6.325 ( 4.046 -8.619 -0.177) 9.523 6.449 ( -2.652 -8.362 1.976) 8.992 6.664 ( 6.522 0.843 -4.203) 7.804 6.902 ( 2.500 -5.736 -1.875) 6.532 7.112 ( -1.066 -2.748 -2.041) 3.586 7.178 ( -2.039 2.580 -5.630) 6.521 7.223 ( -1.813 -6.210 -2.549) 6.953 7.363 ( 4.966 -0.540 -0.000) 4.995 7.452 ( -2.372 -0.506 -7.410) 7.797 7.553 ( -0.672 1.264 -1.826) 2.320 7.695 ( 1.806 0.773 -6.778) 7.057 7.762 ( 3.915 -0.544 -1.850) 4.364 7.920 ( 0.659 3.464 -4.017) 5.346 8.083 ( -5.607 2.589 -1.047) 6.264 8.111 ( -3.667 -1.054 1.129) 3.979 8.337 ( 3.458 -8.576 2.216) 9.509 8.553 ( 2.840 4.005 1.867) 5.252 8.755 ( 0.901 0.308 -2.145) 2.347 9.069 ( 0.253 -0.662 9.369) 9.396 9.220 ( -5.240 -3.415 6.252) 8.844 9.978 ( -0.401 5.523 -0.228) 5.542 10.213 ( -2.570 -7.140 -0.079) 7.589 11.274 ( 1.735 6.623 1.206) 6.952 11.477 ( 1.303 -3.144 2.277) 4.095 12.402 ( 0.132 0.469 -5.387) 5.409 12.642 ( 2.581 -10.258 -2.300) 10.825 14.567 ( -4.832 0.888 4.982) 6.997 14.682 ( 2.638 -3.819 6.220) 7.760 15.434 ( 2.286 7.833 -5.331) 9.746 15.627 ( -1.303 2.461 -12.424) 12.732 15.957 ( 0.058 5.351 -3.161) 6.215 16.147 ( -0.624 -5.884 -3.681) 6.968 17.197 ( 1.018 4.390 5.421) 7.050 17.419 ( -0.118 -5.271 0.429) 5.289 ======================= Grid point 148 (78/160) ======================= q-point: ( 0.14 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 5.813 17.082 11.453) 21.372 1.988 ( -0.683 18.668 6.236) 19.693 2.544 ( 2.503 -8.342 4.194) 9.666 2.702 ( 0.927 -14.201 -0.927) 14.262 3.012 ( -10.306 6.726 -1.934) 12.458 3.241 ( -3.448 1.043 -1.494) 3.900 3.484 ( -9.867 -0.155 0.386) 9.876 3.637 ( -18.604 3.200 2.646) 19.062 3.824 ( 1.466 4.150 12.964) 13.690 3.889 ( 3.007 0.146 3.291) 4.460 3.957 ( 2.953 0.988 -0.712) 3.195 4.058 ( 3.494 24.072 12.591) 27.390 4.237 ( 0.927 -2.814 14.290) 14.594 4.411 ( -4.004 7.620 1.610) 8.757 4.665 ( 3.206 5.037 0.842) 6.030 4.806 ( -0.052 9.730 0.717) 9.756 4.857 ( -1.286 7.628 0.337) 7.743 4.941 ( 0.470 9.463 4.185) 10.358 5.065 ( 4.944 -3.627 -0.945) 6.204 5.215 ( 3.912 7.225 -2.496) 8.586 5.450 ( -0.692 1.123 -0.666) 1.478 5.524 ( -3.161 1.157 -1.140) 3.554 5.801 ( 3.323 -1.168 -1.995) 4.048 5.914 ( -3.851 -3.878 -8.138) 9.802 6.001 ( 2.288 -1.110 -1.043) 2.749 6.178 ( 6.744 -19.540 3.539) 20.972 6.322 ( -5.088 -6.378 4.985) 9.561 6.437 ( 4.189 -9.422 -2.887) 10.708 6.776 ( 3.278 1.222 -2.821) 4.494 6.941 ( 0.981 -3.783 0.267) 3.917 7.065 ( -3.413 -1.045 -5.358) 6.438 7.162 ( 1.979 0.269 -12.024) 12.189 7.200 ( 0.430 -6.582 5.560) 8.626 7.387 ( -1.034 -7.480 -5.157) 9.144 7.472 ( 3.704 1.585 -3.826) 5.556 7.558 ( 1.002 1.111 -3.606) 3.904 7.717 ( 0.940 1.340 -4.566) 4.850 7.826 ( 2.945 -0.926 -1.657) 3.503 7.911 ( -1.657 3.073 -3.130) 4.689 8.008 ( -0.625 0.988 0.188) 1.184 8.062 ( -0.198 1.959 -1.157) 2.284 8.385 ( 1.142 -8.759 0.740) 8.864 8.601 ( 1.873 5.932 2.440) 6.682 8.754 ( -0.350 1.268 -3.880) 4.097 9.104 ( -3.726 -3.544 6.982) 8.671 9.153 ( 2.394 -0.761 9.861) 10.176 9.935 ( -4.536 4.843 -0.022) 6.635 10.162 ( -2.244 -7.752 0.522) 8.087 11.317 ( 2.530 6.724 0.441) 7.198 11.522 ( 2.730 -3.606 2.272) 5.061 12.388 ( -0.590 1.533 -5.106) 5.364 12.665 ( 0.194 -11.110 -2.608) 11.414 14.453 ( -7.432 5.273 5.089) 10.438 14.716 ( -0.175 -6.663 5.534) 8.663 15.480 ( 2.852 6.933 -4.461) 8.724 15.623 ( 3.348 4.510 -11.731) 13.006 15.958 ( 0.704 3.789 -2.801) 4.764 16.116 ( -2.042 -6.203 -4.091) 7.706 17.221 ( 0.432 3.266 5.031) 6.014 17.414 ( -0.498 -4.969 0.358) 5.006 ======================= Grid point 149 (79/160) ======================= q-point: ( 0.29 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -0.732 18.137 7.244) 19.544 2.041 ( 0.830 14.467 4.761) 15.253 2.541 ( -2.877 -6.884 -0.562) 7.482 2.699 ( -4.447 -5.006 0.481) 6.713 2.779 ( -12.126 -2.669 -1.628) 12.522 3.183 ( -2.096 -6.422 -1.985) 7.041 3.280 ( -17.006 4.336 2.986) 17.803 3.368 ( -1.358 -2.949 0.102) 3.248 3.860 ( -0.469 3.214 6.879) 7.607 3.897 ( -4.909 7.588 2.263) 9.317 3.991 ( 2.950 -3.732 5.576) 7.329 4.162 ( 4.810 15.749 11.800) 20.259 4.330 ( 4.335 3.095 11.500) 12.674 4.360 ( -2.525 7.131 2.442) 7.949 4.586 ( -3.742 -1.358 6.250) 7.410 4.778 ( -0.908 11.643 -1.031) 11.724 4.886 ( 1.566 12.250 -0.578) 12.363 5.045 ( 6.094 14.211 0.138) 15.464 5.131 ( 1.603 -8.879 1.420) 9.134 5.305 ( 2.519 10.997 -0.099) 11.282 5.470 ( 2.140 3.258 -1.288) 4.105 5.517 ( 4.337 1.596 -0.168) 4.624 5.763 ( -5.870 -8.342 -1.721) 10.344 5.880 ( 2.506 3.392 -5.589) 7.002 6.034 ( 1.733 4.801 3.546) 6.215 6.259 ( -1.231 -12.680 1.827) 12.870 6.376 ( 11.351 -15.545 1.927) 19.344 6.503 ( 2.784 -9.698 -1.498) 10.200 6.720 ( -8.886 1.175 2.642) 9.345 6.956 ( 0.702 -5.399 1.812) 5.738 6.965 ( -5.242 4.052 -11.455) 13.233 7.196 ( 2.393 -4.881 -4.130) 6.828 7.273 ( 6.262 -3.518 -2.686) 7.668 7.368 ( -0.242 -7.160 -1.965) 7.429 7.492 ( -0.881 -1.242 -5.163) 5.383 7.530 ( -3.547 -0.299 -5.365) 6.438 7.716 ( 0.190 2.101 -1.521) 2.601 7.869 ( 0.827 -3.689 -3.433) 5.107 7.907 ( 3.844 4.177 -4.297) 7.120 8.016 ( 0.802 0.492 -3.050) 3.192 8.138 ( 7.437 1.963 -0.171) 7.693 8.387 ( -0.382 -6.117 0.388) 6.141 8.620 ( -0.722 5.840 0.735) 5.931 8.728 ( -1.749 -1.087 -4.838) 5.258 9.030 ( -2.936 4.554 4.834) 7.261 9.264 ( 4.849 -6.890 14.014) 16.351 9.828 ( -5.897 5.979 -0.186) 8.400 10.138 ( -0.805 -9.961 2.637) 10.336 11.359 ( 1.679 7.140 -0.830) 7.382 11.573 ( 2.125 -3.779 1.350) 4.541 12.367 ( -0.633 2.446 -4.847) 5.465 12.640 ( -2.254 -9.672 -2.527) 10.248 14.338 ( -5.247 7.962 5.222) 10.872 14.703 ( -1.769 -7.992 4.500) 9.341 15.512 ( 1.449 8.207 -4.445) 9.446 15.701 ( 6.044 4.332 -7.757) 10.745 15.976 ( 1.764 0.917 -3.484) 4.011 16.060 ( -3.061 -6.528 -4.679) 8.595 17.227 ( -0.674 2.819 4.400) 5.269 17.404 ( -0.514 -4.804 0.134) 4.834 ======================= Grid point 150 (80/160) ======================= q-point: ( 0.43 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -6.125 13.011 5.158) 15.278 2.142 ( 8.606 10.885 0.887) 13.904 2.390 ( -10.759 4.357 -4.821) 12.568 2.510 ( -11.810 0.811 1.410) 11.921 2.643 ( -5.642 -14.729 -2.310) 15.941 3.047 ( -4.799 -3.351 -2.107) 6.221 3.222 ( 3.331 1.868 6.401) 7.454 3.419 ( 4.921 -3.988 0.544) 6.358 3.749 ( -7.358 2.617 -2.433) 8.180 3.858 ( -2.949 1.549 5.915) 6.788 4.044 ( 1.524 -0.608 7.538) 7.714 4.257 ( -2.126 5.190 4.487) 7.183 4.275 ( 1.768 12.204 8.996) 15.263 4.440 ( 3.751 4.684 9.044) 10.854 4.624 ( 3.287 4.533 8.158) 9.895 4.757 ( -0.816 4.463 -4.849) 6.640 4.903 ( -0.923 10.371 5.145) 11.614 5.086 ( -0.946 10.346 2.729) 10.742 5.221 ( 8.555 0.068 0.453) 8.567 5.308 ( -0.887 16.453 1.045) 16.510 5.456 ( -3.128 8.796 3.566) 9.994 5.598 ( 1.010 0.108 -4.852) 4.957 5.739 ( 5.357 -4.827 -0.080) 7.212 5.930 ( 2.841 -4.061 -0.950) 5.046 6.070 ( 0.285 3.057 1.965) 3.645 6.276 ( 3.288 -10.834 0.460) 11.332 6.452 ( -11.697 -0.099 0.196) 11.699 6.534 ( 0.922 -9.346 0.781) 9.424 6.622 ( 6.153 -10.981 0.366) 12.593 6.813 ( -8.199 -4.176 -5.907) 10.934 7.005 ( 3.593 -1.283 -1.487) 4.095 7.216 ( -0.526 -3.815 0.824) 3.938 7.338 ( 1.286 -1.488 -4.851) 5.235 7.405 ( 1.081 -2.317 -7.631) 8.048 7.432 ( -1.533 -5.835 -2.284) 6.451 7.479 ( 1.494 -2.355 -5.209) 5.909 7.722 ( 0.565 1.604 -1.218) 2.092 7.851 ( -1.801 -2.533 -3.882) 4.973 7.977 ( 2.772 3.153 -6.263) 7.540 8.030 ( 1.590 0.267 -3.577) 3.924 8.264 ( 4.284 0.049 -0.177) 4.288 8.413 ( 3.993 -1.835 0.051) 4.395 8.564 ( -4.397 1.624 -2.984) 5.557 8.669 ( -4.022 -2.601 -4.181) 6.358 9.034 ( 2.224 7.734 6.755) 10.507 9.328 ( -1.119 -5.647 11.833) 13.159 9.770 ( 0.529 5.414 2.763) 6.101 10.137 ( 0.203 -11.985 3.749) 12.559 11.369 ( -0.484 7.803 -1.909) 8.048 11.596 ( 0.138 -3.709 0.279) 3.722 12.353 ( 0.148 2.606 -4.727) 5.400 12.586 ( -2.776 -7.229 -2.183) 8.045 14.289 ( -0.920 8.188 5.476) 9.893 14.677 ( -1.482 -8.163 3.726) 9.095 15.519 ( -0.037 9.208 -3.666) 9.911 15.797 ( 4.971 5.840 -4.703) 8.997 15.982 ( -2.674 -7.975 -6.504) 10.633 16.024 ( 2.443 -1.767 -3.574) 4.676 17.212 ( -1.540 3.218 3.901) 5.286 17.398 ( -0.170 -4.888 -0.060) 4.891 ======================= Grid point 151 (81/160) ======================= q-point: (-0.43 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -10.567 13.856 0.357) 17.429 2.203 ( -1.246 2.798 -0.265) 3.074 2.289 ( -7.006 15.377 5.771) 17.856 2.444 ( 12.590 -3.038 -3.140) 13.327 2.551 ( -1.849 -12.494 -5.213) 13.664 3.034 ( 2.560 -7.622 -3.512) 8.774 3.344 ( 8.182 7.106 10.153) 14.850 3.471 ( -0.726 0.200 -3.517) 3.597 3.666 ( -0.697 -1.307 5.717) 5.906 3.807 ( -2.083 -3.346 2.904) 4.895 4.070 ( -0.101 3.591 5.796) 6.819 4.230 ( 0.214 15.880 2.314) 16.050 4.324 ( -1.267 -3.732 14.584) 15.107 4.487 ( -0.525 10.695 6.505) 12.529 4.702 ( 3.262 2.871 -1.135) 4.492 4.732 ( 0.100 0.365 1.649) 1.691 4.847 ( -5.436 10.944 7.508) 14.342 5.077 ( -0.495 15.666 0.529) 15.683 5.257 ( -2.177 8.111 0.348) 8.406 5.349 ( -1.474 11.263 2.407) 11.611 5.506 ( 10.846 1.150 1.465) 11.005 5.620 ( 3.755 8.701 -0.813) 9.512 5.816 ( 0.566 -5.033 -1.855) 5.393 5.979 ( 2.241 -9.065 4.612) 10.415 6.034 ( -5.103 2.598 -2.019) 6.072 6.192 ( -11.200 0.176 3.730) 11.806 6.349 ( 2.215 -10.241 -2.910) 10.874 6.521 ( -5.053 -7.606 -2.256) 9.406 6.635 ( -3.173 -9.975 -0.937) 10.509 6.769 ( 4.308 -11.642 -0.630) 12.429 7.070 ( 3.111 -2.277 -2.697) 4.706 7.182 ( -2.409 -2.556 0.318) 3.527 7.338 ( -1.490 -0.068 -11.551) 11.647 7.373 ( 1.621 0.242 0.308) 1.667 7.440 ( 1.856 -3.374 -5.879) 7.028 7.560 ( 4.454 -3.875 -1.839) 6.183 7.730 ( 0.445 0.244 -2.199) 2.257 7.796 ( -2.931 -0.907 -4.354) 5.326 7.987 ( 0.249 0.736 -6.186) 6.234 8.039 ( -0.611 -1.560 -4.448) 4.753 8.310 ( 1.796 3.917 -0.715) 4.368 8.419 ( -4.787 3.197 -0.180) 5.759 8.517 ( -3.228 -4.380 -2.468) 5.975 8.607 ( 2.061 -3.923 -2.471) 5.074 9.113 ( 4.246 6.449 6.962) 10.397 9.280 ( -4.559 -1.821 8.382) 9.714 9.838 ( 4.633 2.824 5.702) 7.871 10.161 ( 1.697 -12.396 3.581) 13.014 11.335 ( -2.518 8.462 -2.043) 9.062 11.577 ( -2.166 -3.386 -0.408) 4.040 12.359 ( 1.306 1.793 -4.965) 5.438 12.544 ( -1.068 -5.673 -1.663) 6.008 14.322 ( 3.291 6.915 5.807) 9.611 14.665 ( -0.512 -7.296 3.369) 8.053 15.499 ( -1.464 9.271 -3.207) 9.919 15.842 ( -0.572 7.056 -4.025) 8.143 15.932 ( 0.253 -8.150 -7.216) 10.888 16.078 ( 3.461 -3.472 -3.907) 6.269 17.187 ( -1.689 4.223 3.877) 5.976 17.399 ( 0.299 -5.171 -0.092) 5.180 ======================= Grid point 152 (82/160) ======================= q-point: (-0.29 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -5.710 17.545 1.141) 18.486 2.161 ( -4.943 17.097 6.689) 19.013 2.244 ( 1.715 -5.442 2.465) 6.215 2.582 ( 6.603 -9.287 -5.438) 12.626 2.732 ( 15.070 2.595 0.329) 15.296 3.117 ( 6.767 -8.796 -2.462) 11.368 3.424 ( -0.456 3.389 -7.327) 8.086 3.558 ( 12.470 9.087 10.402) 18.609 3.682 ( -0.381 -4.207 8.448) 9.445 3.828 ( 3.264 -1.420 7.622) 8.412 4.064 ( -1.382 5.664 4.781) 7.540 4.208 ( -5.880 16.444 3.770) 17.866 4.287 ( -3.212 2.560 8.157) 9.133 4.454 ( -3.530 9.678 7.952) 13.014 4.648 ( -5.302 -1.003 5.855) 7.963 4.753 ( -2.943 6.754 4.416) 8.589 4.854 ( 5.178 3.852 0.308) 6.461 5.101 ( 4.606 15.171 -5.518) 16.788 5.212 ( -3.086 15.308 1.906) 15.732 5.298 ( -3.960 3.451 4.261) 6.764 5.590 ( 1.262 -0.532 -9.318) 9.418 5.739 ( -5.601 -4.473 1.198) 7.267 5.809 ( -3.525 7.062 2.121) 8.173 5.858 ( 1.841 5.163 0.064) 5.482 6.010 ( 2.021 -7.214 3.569) 8.299 6.147 ( -0.040 -4.789 9.614) 10.741 6.327 ( -4.595 -14.527 -6.450) 16.546 6.360 ( -5.178 -12.659 -6.255) 15.039 6.646 ( 1.251 -10.014 0.970) 10.138 6.837 ( 3.133 -9.629 -0.505) 10.139 7.101 ( 1.138 -0.223 -3.788) 3.962 7.162 ( 0.830 -0.933 -0.998) 1.599 7.299 ( -1.148 0.338 -10.377) 10.446 7.366 ( -1.828 -3.814 -2.043) 4.697 7.508 ( 4.768 0.291 -2.778) 5.526 7.587 ( -1.192 1.377 -1.538) 2.384 7.708 ( -2.342 2.081 -0.528) 3.177 7.758 ( -0.450 -3.370 -9.677) 10.257 7.958 ( -2.502 -0.838 -5.480) 6.082 8.045 ( 3.586 -4.276 -3.306) 6.486 8.298 ( -4.142 4.247 -2.554) 6.459 8.334 ( -3.892 1.620 3.389) 5.409 8.454 ( 0.066 -0.628 -0.169) 0.654 8.677 ( 3.594 -3.720 -0.930) 5.256 9.152 ( -2.675 3.997 4.595) 6.652 9.251 ( 0.978 -2.966 9.833) 10.317 9.923 ( 3.205 3.564 3.553) 5.967 10.206 ( 2.222 -10.719 2.708) 11.277 11.283 ( -2.410 8.355 -0.814) 8.733 11.524 ( -3.136 -2.945 -0.204) 4.307 12.381 ( 1.759 0.524 -5.474) 5.773 12.546 ( 1.476 -5.880 -1.304) 6.201 14.421 ( 6.088 4.480 6.103) 9.715 14.666 ( -0.235 -5.593 3.589) 6.650 15.460 ( -1.877 9.034 -3.774) 9.969 15.780 ( -3.824 0.302 -7.476) 8.402 15.952 ( 1.642 0.902 -5.294) 5.616 16.128 ( 2.376 -4.756 -3.761) 6.513 17.169 ( -0.871 5.228 4.458) 6.925 17.407 ( 0.544 -5.445 0.056) 5.473 ======================= Grid point 153 (83/160) ======================= q-point: (-0.14 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 5.340 18.767 6.436) 20.546 2.087 ( -4.346 19.323 7.517) 21.184 2.309 ( 4.932 -10.145 5.194) 12.419 2.680 ( 3.546 -10.386 -4.090) 11.712 3.001 ( 12.836 5.051 2.093) 13.952 3.218 ( 3.131 -0.861 0.436) 3.276 3.498 ( 9.983 1.401 -5.903) 11.682 3.673 ( -0.444 -6.310 5.267) 8.231 3.824 ( 10.393 9.445 9.210) 16.794 3.896 ( 0.022 5.973 7.895) 9.900 4.012 ( -7.277 17.439 12.624) 22.725 4.109 ( 1.711 9.554 1.768) 9.866 4.210 ( -6.609 4.676 3.154) 8.688 4.405 ( -2.162 5.002 1.913) 5.775 4.557 ( -5.788 -2.189 9.342) 11.206 4.734 ( -0.125 7.784 7.373) 10.722 4.912 ( 1.555 4.152 -0.518) 4.463 5.063 ( -8.269 17.341 1.379) 19.261 5.164 ( -3.815 2.868 -3.448) 5.888 5.358 ( 11.509 7.781 -1.579) 13.982 5.543 ( -13.679 -1.082 4.475) 14.433 5.573 ( -3.823 0.261 -6.615) 7.645 5.673 ( -2.150 1.826 -1.744) 3.317 5.943 ( 2.217 -13.605 -1.160) 13.834 6.052 ( -7.474 -4.987 0.307) 8.990 6.134 ( 5.087 1.922 3.576) 6.508 6.287 ( -0.833 -17.578 -5.475) 18.430 6.365 ( 7.477 -9.153 -1.139) 11.874 6.645 ( -1.367 -7.846 0.038) 7.964 6.876 ( 1.239 -8.837 -2.454) 9.255 7.115 ( 0.916 1.992 -2.893) 3.630 7.203 ( 2.609 -1.912 2.506) 4.092 7.248 ( -2.036 0.285 -12.103) 12.276 7.324 ( -1.476 -1.430 -1.230) 2.395 7.521 ( -3.177 -1.124 -5.326) 6.303 7.571 ( 0.192 1.909 -1.094) 2.208 7.685 ( 0.339 2.388 -2.079) 3.184 7.723 ( -0.262 -1.685 -7.178) 7.378 7.921 ( -0.197 0.467 -5.575) 5.598 8.123 ( 3.272 -5.205 -2.891) 6.793 8.193 ( -5.688 3.817 -1.617) 7.039 8.293 ( -0.849 -3.314 6.180) 7.064 8.494 ( 3.053 2.870 0.944) 4.296 8.728 ( 2.190 -2.163 -0.885) 3.203 9.092 ( -3.516 2.411 5.995) 7.357 9.273 ( -1.449 -5.230 8.796) 10.335 9.967 ( 1.414 5.598 0.270) 5.780 10.235 ( 0.209 -8.362 1.312) 8.467 11.257 ( -0.251 7.275 0.807) 7.324 11.477 ( -1.586 -2.761 1.027) 3.346 12.399 ( 1.115 -0.043 -5.608) 5.718 12.589 ( 3.124 -7.849 -1.660) 8.610 14.548 ( 5.550 0.767 6.077) 8.265 14.659 ( -1.260 -3.208 4.573) 5.727 15.427 ( -0.531 8.771 -5.014) 10.117 15.695 ( -3.524 -0.065 -10.357) 10.940 15.962 ( 0.333 4.564 -4.250) 6.245 16.151 ( 0.843 -5.467 -3.593) 6.596 17.173 ( 0.431 5.345 5.201) 7.470 17.416 ( 0.357 -5.489 0.288) 5.509 ======================= Grid point 154 (84/160) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 8.271 -14.476 7.497) 18.280 2.140 ( 8.271 14.476 7.497) 18.280 2.408 ( -1.866 -13.672 1.288) 13.859 2.408 ( -1.866 13.672 1.288) 13.859 3.245 ( 0.188 -5.054 3.555) 6.182 3.245 ( 0.188 5.054 3.555) 6.182 3.663 ( 5.597 -3.502 -1.988) 6.895 3.663 ( 5.597 3.502 -1.988) 6.895 3.894 ( -7.637 -2.337 4.386) 9.111 3.894 ( -7.637 2.337 4.386) 9.111 4.118 ( -5.484 -8.894 10.151) 14.568 4.118 ( -5.484 8.894 10.151) 14.568 4.514 ( 7.853 -4.596 4.395) 10.105 4.514 ( 7.853 4.596 4.395) 10.105 4.622 ( 0.598 -16.317 1.593) 16.405 4.622 ( 0.598 16.317 1.593) 16.405 5.021 ( -6.588 -2.396 6.513) 9.569 5.021 ( -6.588 2.396 6.513) 9.569 5.262 ( -2.402 -10.526 -1.041) 10.846 5.262 ( -2.402 10.526 -1.041) 10.846 5.543 ( -5.030 -7.555 -4.852) 10.292 5.543 ( -5.030 7.555 -4.852) 10.292 5.763 ( 3.310 -6.600 -2.563) 7.816 5.763 ( 3.310 6.600 -2.563) 7.816 5.885 ( 2.946 -0.607 -3.894) 4.920 5.885 ( 2.946 0.607 -3.894) 4.920 6.297 ( -0.384 -4.954 6.455) 8.146 6.297 ( -0.384 4.954 6.455) 8.146 6.762 ( 6.171 -6.873 -3.610) 9.917 6.762 ( 6.171 6.873 -3.610) 9.917 7.112 ( -3.211 -2.807 0.150) 4.268 7.112 ( -3.211 2.807 0.150) 4.268 7.268 ( -0.192 -4.917 -9.522) 10.719 7.268 ( -0.192 4.917 -9.522) 10.719 7.522 ( -0.258 -3.582 -3.449) 4.979 7.522 ( -0.258 3.582 -3.449) 4.979 7.731 ( 2.451 -2.263 -3.961) 5.179 7.731 ( 2.451 2.263 -3.961) 5.179 8.045 ( 0.717 -5.942 -2.790) 6.604 8.045 ( 0.717 5.942 -2.790) 6.604 8.168 ( -2.607 -5.187 2.927) 6.502 8.168 ( -2.607 5.187 2.927) 6.502 8.665 ( 2.752 -6.609 0.200) 7.162 8.665 ( 2.752 6.609 0.200) 7.162 9.135 ( -2.480 -5.258 7.655) 9.612 9.135 ( -2.480 5.258 7.655) 9.612 10.083 ( -1.752 -5.195 0.431) 5.499 10.083 ( -1.752 5.195 0.431) 5.499 11.398 ( 1.399 -4.844 0.365) 5.056 11.398 ( 1.399 4.844 0.365) 5.056 12.468 ( 1.153 -5.947 -4.306) 7.433 12.468 ( 1.153 5.947 -4.306) 7.433 14.610 ( -0.960 -2.921 6.197) 6.917 14.610 ( -0.960 2.921 6.197) 6.917 15.585 ( 0.998 -5.654 -8.875) 10.570 15.585 ( 0.998 5.654 -8.875) 10.570 16.049 ( -0.631 -3.925 -3.147) 5.070 16.049 ( -0.631 3.925 -3.147) 5.070 17.304 ( 0.213 -5.538 2.667) 6.151 17.304 ( 0.213 5.538 2.667) 6.151 ======================= Grid point 156 (85/160) ======================= q-point: ( 0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 5.987 -5.930 7.273) 11.131 2.299 ( 5.987 5.930 7.273) 11.131 2.378 ( -1.294 -9.687 1.277) 9.856 2.378 ( -1.294 9.687 1.277) 9.856 3.159 ( -8.899 -6.962 0.054) 11.299 3.159 ( -8.899 6.962 0.054) 11.299 3.562 ( -14.335 -6.105 -1.845) 15.690 3.562 ( -14.335 6.105 -1.845) 15.690 3.859 ( 3.393 -1.289 5.672) 6.734 3.859 ( 3.393 1.289 5.672) 6.734 4.089 ( -0.137 -8.669 12.817) 15.474 4.089 ( -0.137 8.669 12.817) 15.474 4.500 ( -3.966 -7.673 5.018) 9.989 4.500 ( -3.966 7.673 5.018) 9.989 4.781 ( 4.848 -11.615 -3.374) 13.031 4.781 ( 4.848 11.615 -3.374) 13.031 4.946 ( 1.362 -4.843 7.977) 9.431 4.946 ( 1.362 4.843 7.977) 9.431 5.249 ( 1.264 -8.116 -4.891) 9.560 5.249 ( 1.264 8.116 -4.891) 9.560 5.501 ( 1.505 -1.909 -3.207) 4.024 5.501 ( 1.505 1.909 -3.207) 4.024 5.777 ( -0.359 -8.247 0.676) 8.283 5.777 ( -0.359 8.247 0.676) 8.283 5.989 ( 6.666 -5.251 -2.057) 8.731 5.989 ( 6.666 5.251 -2.057) 8.731 6.276 ( -1.757 -3.824 4.075) 5.857 6.276 ( -1.757 3.824 4.075) 5.857 6.845 ( 1.458 -4.695 0.672) 4.962 6.845 ( 1.458 4.695 0.672) 4.962 7.074 ( 0.132 -3.297 -3.816) 5.045 7.074 ( 0.132 3.297 -3.816) 5.045 7.244 ( -0.060 -5.534 -9.018) 10.580 7.244 ( -0.060 5.534 -9.018) 10.580 7.529 ( 0.757 -2.865 -3.515) 4.598 7.529 ( 0.757 2.865 -3.515) 4.598 7.774 ( 2.193 -3.213 -3.005) 4.915 7.774 ( 2.193 3.213 -3.005) 4.915 7.993 ( -3.113 -2.954 -1.283) 4.479 7.993 ( -3.113 2.954 -1.283) 4.479 8.188 ( 2.623 -8.987 0.356) 9.369 8.188 ( 2.623 8.987 0.356) 9.369 8.706 ( 1.368 -4.915 -1.121) 5.224 8.706 ( 1.368 4.915 -1.121) 5.224 9.115 ( -0.970 -3.412 9.082) 9.751 9.115 ( -0.970 3.412 9.082) 9.751 10.029 ( -3.806 -4.910 0.409) 6.226 10.029 ( -3.806 4.910 0.409) 6.226 11.440 ( 2.687 -4.739 0.301) 5.456 11.440 ( 2.687 4.739 0.301) 5.456 12.474 ( 0.216 -6.783 -4.390) 8.082 12.474 ( 0.216 6.783 -4.390) 8.082 14.578 ( -3.322 -6.429 6.053) 9.435 14.578 ( -3.322 6.429 6.053) 9.435 15.614 ( 3.508 -4.673 -8.460) 10.282 15.614 ( 3.508 4.673 -8.460) 10.282 16.023 ( -1.542 -2.984 -3.124) 4.587 16.023 ( -1.542 2.984 -3.124) 4.587 17.308 ( -0.210 -4.855 2.619) 5.521 17.308 ( -0.210 4.855 2.619) 5.521 ======================= Grid point 158 (86/160) ======================= q-point: ( 0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -4.205 -3.457 -0.901) 5.518 2.297 ( -4.205 3.457 -0.901) 5.518 2.410 ( 0.830 -8.687 5.879) 10.522 2.410 ( 0.830 8.687 5.879) 10.522 2.960 ( -11.374 -11.719 -2.798) 16.569 2.960 ( -11.374 11.719 -2.798) 16.569 3.338 ( -6.862 -1.463 1.431) 7.160 3.338 ( -6.862 1.463 1.431) 7.160 3.905 ( -1.150 -2.682 1.832) 3.446 3.905 ( -1.150 2.682 1.832) 3.446 4.099 ( -0.879 -9.435 14.675) 17.469 4.099 ( -0.879 9.435 14.675) 17.469 4.477 ( 0.966 -7.070 5.180) 8.817 4.477 ( 0.966 7.070 5.180) 8.817 4.766 ( -2.341 -18.483 0.465) 18.636 4.766 ( -2.341 18.483 0.465) 18.636 5.021 ( 2.798 -1.494 2.899) 4.297 5.021 ( 2.798 1.494 2.899) 4.297 5.312 ( 5.263 -8.966 -3.777) 11.061 5.312 ( 5.263 8.966 -3.777) 11.061 5.557 ( 3.748 -3.842 -3.053) 6.175 5.557 ( 3.748 3.842 -3.053) 6.175 5.793 ( 2.754 -17.805 1.500) 18.079 5.793 ( 2.754 17.805 1.500) 18.079 6.062 ( -0.118 -10.586 2.290) 10.832 6.062 ( -0.118 10.586 2.290) 10.832 6.291 ( 4.046 -8.612 1.441) 9.623 6.291 ( 4.046 8.612 1.441) 9.623 6.800 ( -6.303 -6.105 3.345) 9.390 6.800 ( -6.303 6.105 3.345) 9.390 7.088 ( 1.747 -5.567 -8.412) 10.238 7.088 ( 1.747 5.567 -8.412) 10.238 7.259 ( 2.990 -2.560 -4.377) 5.887 7.259 ( 2.990 2.560 -4.377) 5.887 7.505 ( -2.776 -1.667 -5.168) 6.099 7.505 ( -2.776 1.667 -5.168) 6.099 7.787 ( 0.132 -3.986 -1.576) 4.288 7.787 ( 0.132 3.986 -1.576) 4.288 7.991 ( 2.858 -3.017 -3.961) 5.741 7.991 ( 2.858 3.017 -3.961) 5.741 8.239 ( 3.144 -6.934 -0.232) 7.617 8.239 ( 3.144 6.934 -0.232) 7.617 8.697 ( -2.136 -2.250 -3.609) 4.759 8.697 ( -2.136 2.250 -3.609) 4.759 9.137 ( 1.438 -5.579 11.160) 12.559 9.137 ( 1.438 5.579 11.160) 12.559 9.958 ( -3.546 -7.101 1.430) 8.065 9.958 ( -3.546 7.101 1.430) 8.065 11.487 ( 2.115 -4.920 -0.599) 5.389 11.487 ( 2.115 4.920 -0.599) 5.389 12.462 ( -0.654 -6.752 -4.359) 8.064 12.462 ( -0.654 6.752 -4.359) 8.064 14.522 ( -3.366 -9.028 5.857) 11.276 14.522 ( -3.366 9.028 5.857) 11.276 15.676 ( 4.161 -6.232 -7.123) 10.339 15.676 ( 4.161 6.232 -7.123) 10.339 15.986 ( -1.573 -0.996 -3.444) 3.915 15.986 ( -1.573 0.996 -3.444) 3.915 17.305 ( -0.606 -4.462 2.380) 5.093 17.305 ( -0.606 4.462 2.380) 5.093 ======================= Grid point 160 (87/160) ======================= q-point: ( 0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -4.573 -11.736 -0.425) 12.602 2.209 ( -4.573 11.736 -0.425) 12.602 2.377 ( -3.908 -8.698 -0.262) 9.539 2.377 ( -3.908 8.698 -0.262) 9.539 2.772 ( -6.810 -16.403 -2.415) 17.924 2.772 ( -6.810 16.403 -2.415) 17.924 3.336 ( 4.713 -4.826 4.189) 7.940 3.336 ( 4.713 4.826 4.189) 7.940 3.812 ( -7.100 -3.572 -1.657) 8.118 3.812 ( -7.100 3.572 -1.657) 8.118 4.137 ( 1.526 -7.275 16.559) 18.151 4.137 ( 1.526 7.275 16.559) 18.151 4.517 ( 1.494 -3.235 4.577) 5.801 4.517 ( 1.494 3.235 4.577) 5.801 4.725 ( -1.941 -8.636 0.319) 8.857 4.725 ( -1.941 8.636 0.319) 8.857 5.082 ( 3.347 -7.088 3.261) 8.490 5.082 ( 3.347 7.088 3.261) 8.490 5.380 ( 2.354 -11.201 -4.192) 12.189 5.380 ( 2.354 11.201 -4.192) 12.189 5.619 ( 3.852 -4.335 4.269) 7.201 5.619 ( 3.852 4.335 4.269) 7.201 5.881 ( 5.679 -19.288 -2.596) 20.273 5.881 ( 5.679 19.288 -2.596) 20.273 5.997 ( -6.337 -7.381 1.964) 9.925 5.997 ( -6.337 7.381 1.964) 9.925 6.414 ( 7.523 -5.228 1.737) 9.325 6.414 ( 7.523 5.228 1.737) 9.325 6.633 ( -11.747 -7.880 0.996) 14.180 6.633 ( -11.747 7.880 0.996) 14.180 7.108 ( 1.318 -6.661 -3.520) 7.649 7.108 ( 1.318 6.661 -3.520) 7.649 7.323 ( 3.902 -1.134 -4.150) 5.808 7.323 ( 3.902 1.134 -4.150) 5.808 7.437 ( -2.105 -1.887 -6.870) 7.429 7.437 ( -2.105 1.887 -6.870) 7.429 7.785 ( -0.254 -3.550 -1.664) 3.928 7.785 ( -0.254 3.550 -1.664) 3.928 8.029 ( 1.089 -1.088 -5.786) 5.987 8.029 ( 1.089 1.088 -5.786) 5.987 8.318 ( 5.472 -4.828 -0.360) 7.306 8.318 ( 5.472 4.828 -0.360) 7.306 8.617 ( -5.449 -2.479 -4.500) 7.489 8.617 ( -5.449 2.479 -4.500) 7.489 9.190 ( 1.665 -7.136 11.204) 13.387 9.190 ( 1.665 7.136 11.204) 13.387 9.919 ( -0.657 -8.758 2.896) 9.248 9.919 ( -0.657 8.758 2.896) 9.248 11.508 ( 0.177 -5.271 -1.658) 5.528 11.508 ( 0.177 5.271 -1.658) 5.528 12.440 ( -0.758 -5.871 -4.219) 7.269 12.440 ( -0.758 5.871 -4.219) 7.269 14.485 ( -1.382 -9.781 5.792) 11.451 14.485 ( -1.382 9.781 5.792) 11.451 15.724 ( 1.667 -9.699 -5.766) 11.406 15.724 ( 1.667 9.699 -5.766) 11.406 15.966 ( 0.424 -3.681 -4.008) 5.459 15.966 ( 0.424 3.681 -4.008) 5.459 17.296 ( -0.717 -4.617 2.120) 5.131 17.296 ( -0.717 4.617 2.120) 5.131 ======================= Grid point 162 (88/160) ======================= q-point: (-0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -7.895 -14.418 -0.664) 16.451 2.093 ( -7.895 14.418 -0.664) 16.451 2.366 ( 4.102 -2.765 -2.541) 5.561 2.366 ( 4.102 2.765 -2.541) 5.561 2.728 ( 2.353 -18.229 -1.058) 18.411 2.728 ( 2.353 18.229 -1.058) 18.411 3.463 ( 6.579 -2.325 4.043) 8.065 3.463 ( 6.579 2.325 4.043) 8.065 3.698 ( -3.625 -4.738 1.588) 6.173 3.698 ( -3.625 4.738 1.588) 6.173 4.182 ( -0.033 -6.500 14.590) 15.972 4.182 ( -0.033 6.500 14.590) 15.972 4.542 ( 0.838 -9.526 2.738) 9.947 4.542 ( 0.838 9.526 2.738) 9.947 4.698 ( -1.346 -3.355 3.040) 4.723 4.698 ( -1.346 3.355 3.040) 4.723 5.123 ( -0.089 -11.983 -0.316) 11.988 5.123 ( -0.089 11.983 -0.316) 11.988 5.410 ( 2.549 -13.062 -2.492) 13.540 5.410 ( 2.549 13.062 -2.492) 13.540 5.716 ( 3.353 -7.956 6.181) 10.619 5.716 ( 3.353 7.956 6.181) 10.619 5.859 ( -6.456 -8.390 1.328) 10.670 5.859 ( -6.456 8.390 1.328) 10.670 5.978 ( 4.889 -15.361 -2.491) 16.312 5.978 ( 4.889 15.361 -2.491) 16.312 6.369 ( -15.237 -11.007 0.185) 18.797 6.369 ( -15.237 11.007 0.185) 18.797 6.554 ( 5.562 -4.951 1.538) 7.604 6.554 ( 5.562 4.951 1.538) 7.604 7.120 ( 0.732 -3.838 -2.475) 4.625 7.120 ( 0.732 3.838 -2.475) 4.625 7.342 ( -0.463 -1.299 -7.402) 7.529 7.342 ( -0.463 1.299 -7.402) 7.529 7.462 ( 5.071 -4.156 -4.095) 7.730 7.462 ( 5.071 4.156 -4.095) 7.730 7.769 ( -1.212 -2.105 -1.413) 2.810 7.769 ( -1.212 2.105 -1.413) 2.810 8.011 ( -1.515 -1.221 -6.963) 7.230 8.011 ( -1.515 1.221 -6.963) 7.230 8.410 ( 2.335 -5.353 -0.909) 5.910 8.410 ( 2.335 5.353 -0.909) 5.910 8.509 ( -3.448 -4.780 -2.361) 6.349 8.509 ( -3.448 4.780 -2.361) 6.349 9.219 ( -0.444 -3.890 9.421) 10.202 9.219 ( -0.444 3.890 9.421) 10.202 9.948 ( 3.005 -7.749 3.932) 9.194 9.948 ( 3.005 7.749 3.932) 9.194 11.487 ( -1.992 -5.676 -2.234) 6.417 11.487 ( -1.992 5.676 -2.234) 6.417 12.425 ( 0.060 -4.800 -4.051) 6.282 12.425 ( 0.060 4.800 -4.051) 6.282 14.493 ( 1.100 -8.705 5.775) 10.504 14.493 ( 1.100 8.705 5.775) 10.504 15.711 ( -1.741 -10.509 -5.534) 12.004 15.711 ( -1.741 10.509 -5.534) 12.004 15.991 ( 2.635 -5.199 -4.120) 7.138 15.991 ( 2.635 5.199 -4.120) 7.138 17.288 ( -0.470 -5.225 2.032) 5.625 17.288 ( -0.470 5.225 2.032) 5.625 ======================= Grid point 164 (89/160) ======================= q-point: (-0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -2.846 -16.935 0.364) 17.177 1.981 ( -2.846 16.935 0.364) 17.177 2.439 ( 2.022 -7.237 -0.056) 7.515 2.439 ( 2.022 7.237 -0.056) 7.515 2.872 ( 13.043 -11.606 -0.188) 17.460 2.872 ( 13.043 11.606 -0.188) 17.460 3.524 ( 0.511 -5.718 -2.640) 6.318 3.524 ( 0.511 5.718 -2.640) 6.318 3.750 ( 7.654 -5.296 10.053) 13.701 3.750 ( 7.654 5.296 10.053) 13.701 4.178 ( -2.497 -5.396 11.834) 13.244 4.178 ( -2.497 5.396 11.834) 13.244 4.545 ( -2.121 -8.762 1.977) 9.229 4.545 ( -2.121 8.762 1.977) 9.229 4.685 ( -0.741 -8.664 5.665) 10.378 4.685 ( -0.741 8.664 5.665) 10.378 5.090 ( -2.018 -12.892 -2.423) 13.272 5.090 ( -2.018 12.892 -2.423) 13.272 5.474 ( 3.970 -13.895 -2.204) 14.618 5.474 ( 3.970 13.895 -2.204) 14.618 5.622 ( -9.880 -14.441 2.276) 17.645 5.622 ( -9.880 14.441 2.276) 17.645 5.855 ( 1.041 -18.165 -2.560) 18.374 5.855 ( 1.041 18.165 -2.560) 18.374 6.058 ( -8.095 -6.438 7.043) 12.513 6.058 ( -8.095 6.438 7.043) 12.513 6.105 ( 0.255 -9.358 -2.085) 9.591 6.105 ( 0.255 9.358 -2.085) 9.591 6.634 ( 2.820 -7.131 -0.115) 7.670 6.634 ( 2.820 7.131 -0.115) 7.670 7.137 ( 1.651 -1.847 -2.792) 3.733 7.137 ( 1.651 1.847 -2.792) 3.733 7.314 ( -1.082 -1.252 -7.881) 8.053 7.314 ( -1.082 1.252 -7.881) 8.053 7.544 ( 3.384 -3.761 -3.722) 6.281 7.544 ( 3.384 3.761 -3.722) 6.281 7.738 ( -1.850 -1.222 -1.576) 2.720 7.738 ( -1.850 1.222 -1.576) 2.720 7.973 ( -0.433 -2.240 -6.631) 7.012 7.973 ( -0.433 2.240 -6.631) 7.012 8.345 ( -5.463 -1.720 -0.287) 5.735 8.345 ( -5.463 1.720 -0.287) 5.735 8.544 ( 3.842 -7.782 0.186) 8.681 8.544 ( 3.842 7.782 0.186) 8.681 9.208 ( -2.151 -1.905 7.897) 8.404 9.208 ( -2.151 1.905 7.897) 8.404 10.024 ( 3.900 -6.545 3.425) 8.354 10.024 ( 3.900 6.545 3.425) 8.354 11.436 ( -2.706 -5.793 -1.848) 6.655 11.436 ( -2.706 5.793 -1.848) 6.655 12.430 ( 1.091 -4.343 -4.017) 6.016 12.430 ( 1.091 4.343 -4.017) 6.016 14.538 ( 2.489 -6.212 5.823) 8.871 14.538 ( 2.489 6.212 5.823) 8.871 15.658 ( -2.583 -9.068 -6.533) 11.471 15.658 ( -2.583 9.068 -6.533) 11.471 16.032 ( 2.195 -4.699 -3.776) 6.415 16.032 ( 2.195 4.699 -3.776) 6.415 17.287 ( -0.006 -5.857 2.194) 6.254 17.287 ( -0.006 5.857 2.194) 6.254 ======================= Grid point 166 (90/160) ======================= q-point: (-0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 4.584 -17.632 4.430) 18.749 2.004 ( 4.584 17.632 4.430) 18.749 2.439 ( -1.399 -13.364 0.963) 13.472 2.439 ( -1.399 13.364 0.963) 13.472 3.128 ( 11.538 -6.634 2.990) 13.641 3.128 ( 11.538 6.634 2.990) 13.641 3.553 ( 4.288 -4.502 -3.081) 6.939 3.553 ( 4.288 4.502 -3.081) 6.939 3.919 ( 5.578 -2.137 8.869) 10.693 3.919 ( 5.578 2.137 8.869) 10.693 4.153 ( -0.985 -2.268 9.251) 9.576 4.153 ( -0.985 2.268 9.251) 9.576 4.463 ( -5.110 -2.466 1.771) 5.944 4.463 ( -5.110 2.466 1.771) 5.944 4.668 ( -2.847 -14.970 5.951) 16.359 4.668 ( -2.847 14.970 5.951) 16.359 5.071 ( -0.205 -11.091 0.577) 11.108 5.071 ( -0.205 11.091 0.577) 11.108 5.390 ( -10.424 -11.701 0.557) 15.681 5.390 ( -10.424 11.701 0.557) 15.681 5.591 ( 3.621 -10.987 -0.448) 11.577 5.591 ( 3.621 10.987 -0.448) 11.577 5.771 ( -7.330 -9.645 -6.226) 13.621 5.771 ( -7.330 9.645 -6.226) 13.621 5.898 ( -2.976 -6.697 -2.006) 7.598 5.898 ( -2.976 6.697 -2.006) 7.598 6.236 ( 5.845 -4.148 7.055) 10.057 6.236 ( 5.845 4.148 7.055) 10.057 6.678 ( 3.128 -8.362 -2.761) 9.345 6.678 ( 3.128 8.362 -2.761) 9.345 7.154 ( -0.369 -2.122 -1.307) 2.519 7.154 ( -0.369 2.122 -1.307) 2.519 7.283 ( -0.454 -2.427 -8.269) 8.630 7.283 ( -0.454 2.427 -8.269) 8.630 7.553 ( -1.446 -3.139 -4.088) 5.354 7.553 ( -1.446 3.139 -4.088) 5.354 7.711 ( 0.071 -1.413 -3.084) 3.393 7.711 ( 0.071 1.413 -3.084) 3.393 7.994 ( 3.431 -6.003 -4.367) 8.178 7.994 ( 3.431 6.003 -4.367) 8.178 8.249 ( -5.216 -1.746 2.109) 5.891 8.249 ( -5.216 1.746 2.109) 5.891 8.609 ( 3.197 -7.469 0.425) 8.136 8.609 ( 3.197 7.469 0.425) 8.136 9.173 ( -2.774 -4.950 7.366) 9.298 9.173 ( -2.774 4.950 7.366) 9.298 10.083 ( 1.575 -6.086 1.755) 6.527 10.083 ( 1.575 6.086 1.755) 6.527 11.395 ( -1.114 -5.359 -0.637) 5.511 11.395 ( -1.114 5.359 -0.637) 5.511 12.449 ( 1.535 -4.862 -4.145) 6.570 12.449 ( 1.535 4.862 -4.145) 6.570 14.591 ( 1.719 -2.994 6.031) 6.949 14.591 ( 1.719 2.994 6.031) 6.949 15.605 ( -1.503 -7.418 -7.976) 10.995 15.605 ( -1.503 7.418 -7.976) 10.995 16.054 ( 0.731 -4.261 -3.413) 5.508 16.054 ( 0.731 4.261 -3.413) 5.508 17.294 ( 0.317 -6.002 2.482) 6.503 17.294 ( 0.317 6.002 2.482) 6.503 ======================= Grid point 189 (91/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -7.519 0.000 24.024) 25.173 1.645 ( -7.329 0.000 23.022) 24.160 2.379 ( 2.031 0.000 -0.836) 2.196 2.659 ( 5.592 0.000 16.134) 17.076 2.706 ( 13.543 0.000 -14.746) 20.022 3.008 ( -6.294 0.000 -4.096) 7.510 3.141 ( -1.360 0.000 9.021) 9.123 3.604 ( 8.880 0.000 3.759) 9.643 3.629 ( 15.918 0.000 0.634) 15.931 3.696 ( -0.925 0.000 0.909) 1.297 3.869 ( 4.515 0.000 -7.259) 8.548 3.912 ( -6.374 0.000 5.225) 8.242 4.228 ( -8.695 0.000 20.967) 22.698 4.298 ( -2.260 0.000 -3.167) 3.890 4.425 ( -3.465 0.000 -1.606) 3.819 4.601 ( -3.030 0.000 2.127) 3.702 4.656 ( -1.054 0.000 8.579) 8.643 4.995 ( 6.144 0.000 -1.106) 6.243 5.064 ( 1.519 0.000 -1.490) 2.128 5.191 ( -0.512 0.000 21.020) 21.026 5.430 ( 11.781 0.000 1.687) 11.901 5.479 ( -20.431 0.000 -0.722) 20.444 5.807 ( -6.147 0.000 -5.415) 8.192 5.857 ( 0.911 0.000 5.674) 5.747 6.214 ( -6.921 0.000 -26.739) 27.620 6.231 ( 16.101 0.000 -0.841) 16.123 6.532 ( -14.553 0.000 8.469) 16.838 6.602 ( 4.228 0.000 -12.645) 13.333 6.824 ( 2.171 0.000 7.585) 7.889 6.904 ( 10.722 0.000 -16.299) 19.509 7.189 ( -1.264 0.000 -1.308) 1.819 7.264 ( -5.750 0.000 4.873) 7.537 7.303 ( 1.518 0.000 -4.873) 5.103 7.417 ( -6.666 0.000 -7.421) 9.976 7.442 ( 3.989 0.000 0.308) 4.001 7.588 ( 6.021 0.000 -8.788) 10.653 7.791 ( 1.032 0.000 3.537) 3.685 7.850 ( 1.704 0.000 1.588) 2.330 7.957 ( -4.862 0.000 -1.312) 5.036 8.046 ( -1.001 0.000 -6.965) 7.037 8.183 ( -13.372 0.000 -2.011) 13.522 8.190 ( 4.977 0.000 -0.620) 5.015 8.521 ( 0.029 0.000 -1.679) 1.679 8.587 ( 3.630 0.000 -2.660) 4.500 9.339 ( 8.236 0.000 16.157) 18.135 9.555 ( 0.909 0.000 9.113) 9.158 9.802 ( -11.632 0.000 6.512) 13.331 10.335 ( 4.494 0.000 -11.294) 12.155 11.143 ( -2.421 0.000 6.630) 7.058 11.651 ( 0.430 0.000 -7.376) 7.389 12.689 ( -1.903 0.000 6.390) 6.667 13.341 ( 12.317 0.000 -11.293) 16.711 14.606 ( 4.910 0.000 2.120) 5.348 14.667 ( -23.160 0.000 -1.995) 23.246 15.078 ( -5.689 0.000 0.292) 5.697 15.141 ( 14.965 0.000 -1.147) 15.009 15.586 ( 1.709 0.000 9.586) 9.737 16.252 ( -1.000 0.000 -11.387) 11.430 17.264 ( 2.779 0.000 6.570) 7.134 17.547 ( -0.002 0.000 -3.112) 3.112 ======================= Grid point 190 (92/160) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -4.138 0.000 21.022) 21.426 1.622 ( 0.958 0.000 22.322) 22.343 2.398 ( 0.303 0.000 -4.016) 4.027 2.791 ( -11.338 0.000 -9.640) 14.882 2.807 ( 0.148 0.000 17.339) 17.340 2.905 ( 5.429 0.000 -8.265) 9.889 3.158 ( 5.963 0.000 1.715) 6.205 3.634 ( -5.118 0.000 3.965) 6.474 3.690 ( 0.759 0.000 -0.903) 1.179 3.779 ( -8.792 0.000 2.538) 9.151 3.840 ( 6.292 0.000 -8.209) 10.343 4.064 ( 15.072 0.000 -0.863) 15.096 4.117 ( -4.264 0.000 18.535) 19.019 4.231 ( -4.343 0.000 1.528) 4.604 4.365 ( -4.360 0.000 -0.329) 4.372 4.585 ( 0.196 0.000 2.723) 2.730 4.673 ( -0.309 0.000 13.514) 13.517 4.989 ( -9.720 0.000 0.278) 9.724 5.104 ( 2.423 0.000 -7.234) 7.629 5.178 ( -3.831 0.000 24.905) 25.198 5.300 ( 8.619 0.000 -4.735) 9.834 5.567 ( 2.568 0.000 8.408) 8.791 5.705 ( -4.343 0.000 -5.216) 6.787 5.846 ( -6.283 0.000 3.775) 7.330 6.078 ( -2.397 0.000 -26.578) 26.686 6.294 ( -7.868 0.000 10.203) 12.884 6.599 ( 21.492 0.000 -5.026) 22.072 6.675 ( 5.543 0.000 -10.944) 12.268 6.947 ( 7.327 0.000 9.352) 11.880 7.020 ( 2.775 0.000 -13.538) 13.819 7.062 ( -14.047 0.000 4.118) 14.638 7.167 ( -0.908 0.000 -4.441) 4.533 7.219 ( -5.068 0.000 -7.115) 8.736 7.394 ( 4.020 0.000 -10.952) 11.666 7.511 ( 0.789 0.000 5.350) 5.408 7.695 ( 6.082 0.000 -6.134) 8.638 7.783 ( -6.514 0.000 -4.456) 7.892 7.869 ( -0.308 0.000 5.216) 5.225 7.950 ( 10.038 0.000 0.482) 10.050 8.026 ( -3.522 0.000 1.613) 3.874 8.038 ( 0.911 0.000 -4.313) 4.408 8.278 ( 4.266 0.000 0.753) 4.332 8.513 ( -0.349 0.000 -3.525) 3.542 8.644 ( 2.800 0.000 -3.046) 4.137 9.359 ( -11.874 0.000 14.596) 18.816 9.497 ( -7.763 0.000 4.437) 8.941 9.721 ( 4.881 0.000 5.958) 7.702 10.460 ( 9.685 0.000 -5.950) 11.367 11.122 ( -1.287 0.000 6.592) 6.717 11.652 ( 0.982 0.000 -6.934) 7.003 12.647 ( -3.413 0.000 5.320) 6.320 13.350 ( -10.475 0.000 -8.566) 13.532 14.334 ( -8.853 0.000 -1.198) 8.934 14.632 ( -3.112 0.000 3.118) 4.405 15.055 ( 3.451 0.000 0.218) 3.458 15.460 ( 17.693 0.000 -3.390) 18.015 15.623 ( 0.419 0.000 9.551) 9.560 16.206 ( -1.837 0.000 -12.159) 12.297 17.302 ( 0.066 0.000 4.882) 4.882 17.535 ( -0.586 0.000 -3.577) 3.624 ======================= Grid point 191 (93/160) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 14.100 0.000 13.273) 19.365 1.750 ( 8.835 0.000 18.745) 20.723 2.368 ( -4.942 0.000 0.892) 5.022 2.517 ( -14.819 0.000 -4.036) 15.359 2.644 ( -14.116 0.000 3.285) 14.493 2.943 ( -0.504 0.000 -10.814) 10.826 3.363 ( 12.033 0.000 -2.377) 12.266 3.471 ( -12.537 0.000 2.388) 12.762 3.597 ( -9.486 0.000 -2.080) 9.712 3.738 ( 3.145 0.000 -0.471) 3.180 3.880 ( 0.652 0.000 -10.463) 10.483 4.156 ( -17.446 0.000 0.093) 17.446 4.159 ( 4.951 0.000 23.352) 23.871 4.185 ( -0.786 0.000 4.342) 4.412 4.299 ( 9.299 0.000 0.076) 9.299 4.617 ( 3.966 0.000 -1.626) 4.287 4.678 ( -1.885 0.000 19.490) 19.581 4.976 ( 8.481 0.000 -4.075) 9.409 5.088 ( -3.754 0.000 -0.874) 3.855 5.162 ( -1.310 0.000 16.296) 16.349 5.503 ( 7.110 0.000 -8.714) 11.247 5.508 ( -12.333 0.000 13.774) 18.489 5.677 ( 6.092 0.000 2.806) 6.707 5.719 ( -3.380 0.000 8.830) 9.455 6.049 ( 3.759 0.000 -21.465) 21.791 6.281 ( 1.824 0.000 5.333) 5.636 6.754 ( 3.860 0.000 -9.021) 9.812 6.769 ( -16.281 0.000 3.502) 16.653 6.914 ( 11.213 0.000 -4.205) 11.976 6.964 ( -3.940 0.000 -4.017) 5.626 7.098 ( -3.827 0.000 -19.223) 19.600 7.113 ( 7.302 0.000 11.443) 13.574 7.203 ( 2.318 0.000 -13.339) 13.538 7.478 ( 6.057 0.000 -5.845) 8.417 7.521 ( 0.452 0.000 6.868) 6.883 7.711 ( 1.208 0.000 -4.775) 4.925 7.774 ( 2.894 0.000 -4.226) 5.122 7.866 ( -0.767 0.000 5.262) 5.318 7.990 ( -0.649 0.000 -0.137) 0.663 8.058 ( 1.853 0.000 -2.036) 2.753 8.210 ( 15.533 0.000 -1.436) 15.599 8.333 ( 0.592 0.000 2.174) 2.253 8.511 ( 1.566 0.000 -2.934) 3.326 8.678 ( 1.562 0.000 -3.313) 3.663 9.073 ( -18.248 0.000 7.899) 19.884 9.311 ( -12.035 0.000 0.276) 12.039 9.886 ( 8.979 0.000 10.615) 13.903 10.642 ( 9.997 0.000 -3.357) 10.546 11.107 ( -1.599 0.000 6.439) 6.635 11.663 ( 1.297 0.000 -6.646) 6.772 12.593 ( -2.911 0.000 4.357) 5.240 13.023 ( -20.649 0.000 4.246) 21.081 14.299 ( 3.226 0.000 -8.640) 9.222 14.541 ( -5.764 0.000 0.212) 5.768 15.163 ( 6.558 0.000 3.716) 7.538 15.629 ( -1.509 0.000 9.260) 9.383 15.750 ( 13.819 0.000 -4.836) 14.641 16.147 ( -2.188 0.000 -13.037) 13.219 17.284 ( -2.630 0.000 4.418) 5.141 17.517 ( -0.490 0.000 -4.017) 4.046 ======================= Grid point 192 (94/160) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 21.206 0.000 4.614) 21.702 1.989 ( 12.936 0.000 14.020) 19.076 2.098 ( -22.796 0.000 7.254) 23.922 2.268 ( -10.703 0.000 -0.796) 10.733 2.523 ( 0.976 0.000 -1.861) 2.101 2.873 ( -4.406 0.000 -5.937) 7.393 3.201 ( -15.211 0.000 -3.730) 15.662 3.422 ( -7.427 0.000 -0.959) 7.489 3.538 ( 6.039 0.000 -5.134) 7.926 3.814 ( 5.704 0.000 -2.011) 6.048 3.822 ( -16.335 0.000 -2.843) 16.580 3.854 ( -1.306 0.000 -9.336) 9.427 4.180 ( -0.335 0.000 4.454) 4.467 4.325 ( 5.378 0.000 18.074) 18.858 4.436 ( 5.997 0.000 -1.325) 6.142 4.664 ( -5.265 0.000 27.628) 28.125 4.695 ( 3.761 0.000 -1.872) 4.200 5.027 ( -0.002 0.000 9.996) 9.996 5.138 ( 6.909 0.000 -9.529) 11.770 5.162 ( -1.156 0.000 8.299) 8.379 5.309 ( -9.433 0.000 15.964) 18.543 5.526 ( 1.581 0.000 -3.045) 3.431 5.684 ( -3.807 0.000 9.275) 10.026 5.923 ( 14.996 0.000 1.667) 15.089 6.142 ( 9.063 0.000 -13.741) 16.461 6.295 ( -3.333 0.000 1.181) 3.536 6.507 ( -9.755 0.000 6.858) 11.924 6.761 ( -0.996 0.000 -7.132) 7.201 6.924 ( -1.498 0.000 -16.869) 16.936 6.986 ( -2.622 0.000 -13.610) 13.860 7.013 ( 1.412 0.000 -2.674) 3.024 7.212 ( 1.065 0.000 -12.954) 12.998 7.230 ( 2.913 0.000 11.609) 11.969 7.578 ( 4.164 0.000 6.350) 7.594 7.583 ( 5.869 0.000 -5.238) 7.867 7.783 ( -0.541 0.000 -3.983) 4.019 7.791 ( 6.841 0.000 -5.481) 8.766 7.854 ( -2.167 0.000 4.443) 4.943 7.982 ( -0.362 0.000 -0.256) 0.444 8.090 ( 0.987 0.000 -3.466) 3.604 8.305 ( -2.619 0.000 2.898) 3.906 8.485 ( 13.129 0.000 -1.671) 13.235 8.574 ( 4.943 0.000 2.224) 5.421 8.696 ( 1.085 0.000 -2.755) 2.961 8.760 ( -15.512 0.000 3.087) 15.817 9.083 ( -10.931 0.000 -3.431) 11.457 10.052 ( 6.254 0.000 12.821) 14.265 10.775 ( 3.436 0.000 -7.564) 8.308 11.100 ( 0.697 0.000 9.088) 9.115 11.674 ( 1.011 0.000 -6.817) 6.892 12.566 ( -0.531 0.000 4.166) 4.200 12.690 ( -15.267 0.000 11.612) 19.181 14.369 ( 5.506 0.000 -10.728) 12.058 14.446 ( -3.970 0.000 -2.177) 4.527 15.285 ( 5.469 0.000 6.307) 8.348 15.594 ( -3.966 0.000 8.602) 9.472 15.927 ( 4.348 0.000 -7.533) 8.698 16.106 ( 1.986 0.000 -12.076) 12.238 17.228 ( -3.958 0.000 4.998) 6.376 17.507 ( 0.227 0.000 -4.086) 4.092 ======================= Grid point 193 (95/160) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -20.186 0.000 10.985) 22.982 2.096 ( -5.360 0.000 7.432) 9.163 2.227 ( 12.085 0.000 -2.412) 12.323 2.251 ( 7.717 0.000 3.649) 8.536 2.593 ( 4.359 0.000 5.110) 6.716 2.811 ( 0.168 0.000 4.364) 4.368 2.970 ( -6.154 0.000 -11.266) 12.837 3.331 ( -2.513 0.000 2.346) 3.438 3.563 ( -10.715 0.000 -6.143) 12.351 3.578 ( -0.508 0.000 1.844) 1.913 3.821 ( -0.547 0.000 -6.770) 6.792 3.962 ( 10.402 0.000 -2.021) 10.597 4.174 ( -1.060 0.000 2.859) 3.049 4.385 ( 0.069 0.000 10.628) 10.629 4.523 ( 3.859 0.000 -2.845) 4.794 4.571 ( -6.674 0.000 22.360) 23.335 4.728 ( -0.148 0.000 -0.768) 0.782 5.067 ( -5.247 0.000 19.098) 19.806 5.151 ( -2.782 0.000 -11.786) 12.110 5.175 ( -0.126 0.000 -2.598) 2.601 5.254 ( 3.254 0.000 22.796) 23.027 5.603 ( 5.922 0.000 0.702) 5.964 5.621 ( -1.968 0.000 8.391) 8.619 6.136 ( -10.443 0.000 3.291) 10.949 6.178 ( 12.173 0.000 -1.554) 12.271 6.307 ( 9.188 0.000 -6.564) 11.292 6.487 ( 2.930 0.000 6.903) 7.499 6.724 ( -2.428 0.000 -6.893) 7.309 6.766 ( -8.311 0.000 -24.815) 26.169 6.998 ( -1.624 0.000 -1.435) 2.167 7.011 ( 4.419 0.000 -11.079) 11.928 7.211 ( 1.595 0.000 -11.435) 11.546 7.272 ( -0.068 0.000 7.843) 7.844 7.636 ( -1.075 0.000 -7.797) 7.871 7.646 ( 0.643 0.000 6.813) 6.843 7.773 ( -4.115 0.000 1.866) 4.518 7.795 ( 1.214 0.000 0.631) 1.368 7.883 ( 2.148 0.000 -4.510) 4.995 7.989 ( 2.349 0.000 -0.598) 2.423 8.037 ( -4.568 0.000 -8.189) 9.377 8.294 ( -0.617 0.000 3.136) 3.196 8.541 ( -7.038 0.000 1.191) 7.138 8.605 ( -1.117 0.000 -4.708) 4.839 8.697 ( -2.385 0.000 4.831) 5.388 8.702 ( 7.843 0.000 6.461) 10.161 9.006 ( 6.683 0.000 -7.336) 9.924 10.143 ( 0.961 0.000 13.722) 13.755 10.709 ( -7.756 0.000 -10.750) 13.256 11.175 ( 4.083 0.000 7.763) 8.771 11.676 ( 0.489 0.000 -7.375) 7.391 12.539 ( -2.401 0.000 15.910) 16.090 12.589 ( 2.044 0.000 5.029) 5.429 14.396 ( -0.742 0.000 -3.517) 3.595 14.463 ( 6.590 0.000 -9.677) 11.708 15.384 ( 3.983 0.000 7.987) 8.925 15.510 ( -6.504 0.000 7.320) 9.792 15.863 ( -7.282 0.000 -13.304) 15.167 16.190 ( 6.266 0.000 -8.673) 10.700 17.167 ( -3.213 0.000 6.644) 7.380 17.513 ( 1.004 0.000 -3.728) 3.861 ======================= Grid point 194 (96/160) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -5.953 0.000 20.081) 20.945 1.990 ( -9.696 0.000 15.950) 18.666 2.323 ( 4.409 0.000 -7.993) 9.129 2.365 ( 4.173 0.000 -4.838) 6.389 2.637 ( -0.757 0.000 8.587) 8.621 2.915 ( 6.212 0.000 -0.197) 6.215 3.017 ( 14.227 0.000 -0.528) 14.237 3.255 ( -8.063 0.000 13.169) 15.441 3.408 ( -4.689 0.000 -6.029) 7.638 3.614 ( 4.412 0.000 4.977) 6.651 3.817 ( 1.327 0.000 -6.545) 6.678 4.099 ( 0.269 0.000 6.783) 6.788 4.162 ( 0.067 0.000 2.952) 2.953 4.426 ( 0.756 0.000 12.511) 12.534 4.559 ( -0.007 0.000 -4.266) 4.266 4.594 ( 11.571 0.000 1.763) 11.705 4.701 ( -1.927 0.000 1.623) 2.519 4.935 ( -10.862 0.000 13.251) 17.134 5.040 ( -6.251 0.000 -8.924) 10.896 5.123 ( -3.313 0.000 -1.233) 3.535 5.304 ( -2.878 0.000 19.337) 19.550 5.703 ( 4.028 0.000 -0.752) 4.098 5.743 ( 10.959 0.000 10.862) 15.430 5.986 ( -6.179 0.000 5.854) 8.511 6.332 ( -2.155 0.000 4.418) 4.916 6.388 ( 1.267 0.000 -14.109) 14.166 6.563 ( 3.197 0.000 6.951) 7.651 6.586 ( 0.168 0.000 -16.334) 16.335 6.667 ( -3.675 0.000 -13.248) 13.749 6.986 ( 1.006 0.000 -1.008) 1.424 7.087 ( 6.349 0.000 -15.980) 17.195 7.239 ( -4.876 0.000 3.424) 5.958 7.254 ( 4.478 0.000 -9.928) 10.891 7.520 ( -7.598 0.000 0.886) 7.649 7.605 ( -5.740 0.000 7.141) 9.162 7.697 ( -2.792 0.000 -8.475) 8.923 7.839 ( -0.740 0.000 2.551) 2.656 7.863 ( -2.402 0.000 -1.312) 2.738 7.985 ( 2.738 0.000 -7.875) 8.337 8.043 ( 1.874 0.000 -1.433) 2.359 8.228 ( -5.476 0.000 -3.742) 6.632 8.500 ( 0.474 0.000 2.196) 2.246 8.514 ( -4.622 0.000 -0.383) 4.638 8.642 ( -4.276 0.000 -3.956) 5.825 8.893 ( 10.828 0.000 11.005) 15.439 9.211 ( 13.015 0.000 0.465) 13.024 10.127 ( -5.153 0.000 12.962) 13.949 10.513 ( -9.937 0.000 -11.342) 15.080 11.222 ( -0.505 0.000 4.896) 4.922 11.669 ( 0.189 0.000 -7.765) 7.767 12.646 ( 2.574 0.000 6.295) 6.801 12.670 ( 13.335 0.000 13.896) 19.259 14.411 ( 3.057 0.000 -3.447) 4.607 14.589 ( 8.835 0.000 -6.983) 11.261 15.378 ( -8.480 0.000 5.964) 10.367 15.465 ( 3.036 0.000 8.522) 9.047 15.633 ( -15.403 0.000 -13.958) 20.786 16.264 ( 3.143 0.000 -9.620) 10.121 17.147 ( -0.034 0.000 8.564) 8.564 17.529 ( 1.253 0.000 -3.232) 3.466 ======================= Grid point 195 (97/160) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 3.328 0.000 25.294) 25.512 1.799 ( -12.493 0.000 21.128) 24.545 2.375 ( -1.371 0.000 -1.961) 2.393 2.472 ( 12.886 0.000 -14.089) 19.093 2.621 ( -2.068 0.000 11.434) 11.620 3.032 ( 4.523 0.000 -1.717) 4.838 3.155 ( -3.653 0.000 14.291) 14.750 3.338 ( 17.466 0.000 1.821) 17.561 3.398 ( 5.930 0.000 -0.831) 5.988 3.691 ( 1.782 0.000 4.430) 4.775 3.838 ( 1.803 0.000 -7.257) 7.477 4.024 ( -7.028 0.000 8.155) 10.766 4.209 ( 3.898 0.000 6.061) 7.206 4.400 ( -5.583 0.000 12.238) 13.451 4.505 ( -4.275 0.000 -2.834) 5.129 4.668 ( -3.031 0.000 1.595) 3.425 4.738 ( -9.131 0.000 7.411) 11.760 4.943 ( -1.244 0.000 -4.952) 5.105 4.971 ( 21.672 0.000 1.103) 21.701 5.071 ( -1.845 0.000 -0.205) 1.857 5.289 ( -0.423 0.000 13.528) 13.535 5.721 ( -3.196 0.000 -2.214) 3.888 5.864 ( -2.225 0.000 11.594) 11.805 6.005 ( 9.121 0.000 3.217) 9.671 6.047 ( -19.172 0.000 -1.650) 19.243 6.378 ( -4.574 0.000 -17.103) 17.705 6.574 ( 0.437 0.000 -16.149) 16.155 6.619 ( 1.326 0.000 7.803) 7.915 6.719 ( 11.008 0.000 -14.065) 17.860 6.939 ( -10.065 0.000 2.270) 10.318 7.186 ( 5.133 0.000 -10.616) 11.791 7.200 ( 4.763 0.000 0.660) 4.808 7.274 ( -0.434 0.000 -6.208) 6.223 7.473 ( 2.372 0.000 -0.564) 2.438 7.496 ( -6.607 0.000 5.726) 8.743 7.601 ( -5.963 0.000 -8.839) 10.663 7.812 ( -2.799 0.000 1.977) 3.427 7.822 ( 0.488 0.000 -0.457) 0.669 8.029 ( -2.813 0.000 -0.509) 2.859 8.064 ( 4.121 0.000 -8.954) 9.857 8.134 ( -2.292 0.000 -1.451) 2.713 8.430 ( -9.014 0.000 -3.383) 9.627 8.516 ( 0.618 0.000 0.490) 0.789 8.547 ( -0.949 0.000 -3.892) 4.006 9.123 ( 11.392 0.000 13.662) 17.788 9.436 ( 9.605 0.000 7.662) 12.287 10.001 ( -10.227 0.000 10.618) 14.742 10.352 ( -4.246 0.000 -12.398) 13.105 11.189 ( -3.221 0.000 5.436) 6.319 11.659 ( 0.139 0.000 -7.718) 7.719 12.690 ( 0.695 0.000 6.875) 6.910 13.020 ( 20.589 0.000 1.952) 20.682 14.494 ( 6.057 0.000 -1.462) 6.231 14.771 ( 11.054 0.000 -4.381) 11.891 15.220 ( -8.993 0.000 3.281) 9.573 15.250 ( -22.446 0.000 -8.755) 24.093 15.531 ( 2.483 0.000 9.317) 9.643 16.278 ( 0.408 0.000 -10.668) 10.675 17.193 ( 2.992 0.000 8.524) 9.034 17.544 ( 0.809 0.000 -2.964) 3.072 ======================= Grid point 196 (98/160) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -6.152 8.909 20.831) 23.476 1.722 ( 0.712 5.238 22.938) 23.539 2.472 ( 1.046 9.328 -5.600) 10.930 2.744 ( 4.148 4.437 10.675) 12.282 2.788 ( 9.059 7.388 -11.783) 16.598 3.037 ( -4.577 2.446 0.534) 5.217 3.220 ( -4.812 7.435 9.941) 13.314 3.607 ( 14.088 1.322 -0.941) 14.181 3.675 ( 2.233 6.685 2.584) 7.506 3.763 ( 9.880 4.274 2.969) 11.167 3.877 ( -0.755 1.450 0.487) 1.706 3.936 ( -4.401 2.354 0.612) 5.029 4.234 ( -7.258 0.778 20.168) 21.449 4.309 ( 0.435 -0.887 -2.686) 2.862 4.437 ( -4.057 3.061 -1.581) 5.323 4.632 ( -5.615 3.546 3.346) 7.436 4.683 ( -2.192 2.812 7.436) 8.247 4.937 ( 8.550 -3.125 -1.625) 9.247 5.115 ( -0.536 -1.412 17.857) 17.920 5.191 ( -2.410 3.915 -0.487) 4.623 5.443 ( 11.140 1.256 1.264) 11.282 5.493 ( -16.989 0.372 -0.118) 16.994 5.818 ( -2.442 -2.357 2.726) 4.353 5.828 ( -4.316 0.182 -3.742) 5.716 6.230 ( -0.323 1.639 -18.071) 18.148 6.249 ( 11.980 1.335 -6.197) 13.554 6.415 ( -5.294 -8.365 0.783) 9.930 6.649 ( 1.510 1.632 -9.236) 9.500 6.731 ( -3.875 -5.348 3.605) 7.524 6.956 ( 8.501 0.970 -9.813) 13.019 7.152 ( -4.021 -2.486 -2.001) 5.133 7.235 ( 0.600 -0.245 -3.092) 3.159 7.320 ( -2.643 -5.281 -4.829) 7.628 7.346 ( 2.941 -3.341 0.019) 4.451 7.496 ( -4.003 6.276 -0.014) 7.444 7.567 ( 4.903 -1.428 -5.431) 7.455 7.708 ( -0.486 -7.146 2.764) 7.677 7.804 ( 1.867 -2.171 -1.097) 3.066 7.913 ( -0.043 -6.659 -1.431) 6.811 8.051 ( -2.034 -1.774 -2.824) 3.907 8.157 ( 2.116 7.426 1.338) 7.836 8.334 ( -8.880 1.500 -1.446) 9.121 8.520 ( -1.331 3.723 -2.304) 4.576 8.607 ( 3.646 0.759 -3.332) 4.997 9.255 ( 6.798 -4.896 13.590) 15.964 9.627 ( -5.076 -0.069 3.101) 5.949 9.753 ( -2.777 0.056 9.577) 9.972 10.330 ( 1.980 -0.912 -9.186) 9.441 11.164 ( -1.664 2.002 6.364) 6.875 11.639 ( 0.931 -1.343 -5.898) 6.120 12.593 ( -1.584 -8.248 5.696) 10.148 13.149 ( 8.666 -14.607 -6.967) 18.358 14.624 ( -10.761 0.809 1.604) 10.910 14.826 ( 0.938 10.781 -3.230) 11.294 15.034 ( 0.191 -1.120 0.297) 1.174 15.182 ( 2.846 3.125 -2.227) 4.778 15.665 ( 2.228 6.382 6.301) 9.241 16.225 ( -0.923 -2.547 -10.323) 10.673 17.260 ( 2.424 -0.208 6.653) 7.083 17.532 ( -0.078 -1.420 -2.860) 3.194 ======================= Grid point 197 (99/160) ======================= q-point: ( 0.14 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -3.447 10.559 17.950) 21.109 1.754 ( 0.211 10.673 20.999) 23.556 2.475 ( -0.864 6.939 -4.714) 8.433 2.777 ( -7.141 -0.585 -6.220) 9.488 2.919 ( 6.638 5.242 -7.785) 11.496 2.996 ( -0.286 9.749 11.037) 14.729 3.153 ( -0.886 1.722 3.629) 4.113 3.623 ( -3.544 2.610 2.245) 4.941 3.731 ( -10.147 -2.787 2.216) 10.754 3.791 ( 4.252 -0.658 -4.511) 6.234 3.892 ( -0.829 11.121 1.290) 11.226 4.041 ( 8.842 -2.003 0.882) 9.109 4.163 ( 0.818 4.428 18.291) 18.837 4.291 ( -1.952 2.800 -1.673) 3.801 4.397 ( -2.023 3.800 0.146) 4.307 4.588 ( 0.755 2.209 2.576) 3.476 4.690 ( 0.131 2.101 12.676) 12.850 4.997 ( -9.070 0.710 0.746) 9.128 5.106 ( 0.265 -4.883 13.274) 14.146 5.155 ( 1.377 3.361 1.344) 3.873 5.318 ( 4.279 0.699 -2.494) 5.002 5.567 ( 0.082 0.618 8.765) 8.787 5.726 ( -4.516 0.379 -3.446) 5.694 5.825 ( -0.051 -1.348 -3.505) 3.756 6.130 ( -4.971 4.501 -19.152) 20.292 6.267 ( -5.021 -2.741 6.329) 8.531 6.585 ( 18.865 -1.361 -3.977) 19.328 6.655 ( 3.842 -2.273 -8.513) 9.612 6.823 ( 6.952 -7.695 1.051) 10.424 7.006 ( -6.387 -3.558 -3.973) 8.321 7.058 ( -2.845 0.081 -4.041) 4.943 7.161 ( -4.906 -3.473 -6.289) 8.699 7.263 ( -0.709 5.534 -3.773) 6.735 7.436 ( 2.699 -4.361 1.711) 5.406 7.441 ( 1.956 3.012 -6.437) 7.371 7.669 ( 4.844 -2.686 -3.409) 6.504 7.742 ( 0.790 -5.262 -1.705) 5.588 7.838 ( 0.555 -1.720 1.620) 2.427 7.868 ( -0.084 -4.347 -1.390) 4.565 8.044 ( 3.197 -0.200 -0.364) 3.224 8.167 ( -2.188 6.858 1.349) 7.324 8.273 ( 2.209 0.756 1.541) 2.797 8.501 ( -0.117 0.932 -2.363) 2.543 8.661 ( 2.654 0.714 -3.634) 4.556 9.238 ( -11.019 -6.159 9.299) 15.679 9.621 ( 1.329 0.521 7.142) 7.283 9.676 ( -3.417 2.223 4.552) 6.111 10.420 ( 8.000 -3.812 -4.681) 10.022 11.153 ( -0.860 2.867 6.059) 6.758 11.651 ( 1.494 -0.402 -6.144) 6.336 12.551 ( -3.556 -7.990 5.089) 10.119 13.178 ( -4.918 -13.758 -6.645) 16.051 14.354 ( -12.306 2.804 2.355) 12.840 14.797 ( -4.615 10.699 -2.449) 11.907 15.077 ( 5.542 2.843 0.222) 6.233 15.388 ( 13.433 -3.946 -0.091) 14.001 15.720 ( 2.968 6.394 4.423) 8.322 16.180 ( -1.942 -2.418 -11.097) 11.522 17.296 ( 0.139 -0.439 5.166) 5.187 17.519 ( -0.654 -1.477 -3.254) 3.633 ======================= Grid point 198 (100/160) ======================= q-point: ( 0.29 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 10.712 7.498 12.832) 18.320 1.824 ( 3.226 6.409 16.590) 18.075 2.383 ( -9.308 2.521 -2.998) 10.099 2.610 ( -6.586 6.314 -3.626) 9.818 2.827 ( -15.652 15.175 4.949) 22.355 2.947 ( -1.445 0.147 -10.099) 10.203 3.262 ( 5.163 -4.749 -2.837) 7.567 3.522 ( -8.182 0.442 2.616) 8.602 3.614 ( -1.224 2.065 -0.219) 2.410 3.789 ( -1.686 -2.913 -3.078) 4.561 3.892 ( 1.063 11.358 -1.187) 11.469 4.134 ( 1.004 -2.970 8.361) 8.929 4.160 ( -9.656 0.912 4.602) 10.735 4.262 ( -1.902 6.494 5.856) 8.949 4.371 ( 5.962 5.155 2.880) 8.391 4.646 ( 4.010 2.616 1.336) 4.971 4.724 ( 0.811 5.543 17.171) 18.061 4.981 ( 8.385 0.704 -4.784) 9.680 5.086 ( -3.820 -1.616 14.018) 14.619 5.168 ( -0.498 1.543 1.490) 2.202 5.432 ( -2.999 -3.140 2.481) 5.001 5.527 ( -3.230 -0.203 3.492) 4.762 5.684 ( 6.232 1.418 3.974) 7.525 5.815 ( -0.473 6.474 3.696) 7.469 6.050 ( 1.688 -0.692 -13.892) 14.011 6.278 ( 2.616 0.390 -0.635) 2.720 6.702 ( -3.101 -3.319 -6.521) 7.947 6.777 ( -5.718 -1.523 -0.517) 5.940 6.857 ( 4.461 -4.596 -2.074) 6.733 6.896 ( -0.446 -7.640 -0.304) 7.659 7.042 ( 1.922 -1.179 -1.122) 2.519 7.102 ( 1.409 -0.074 -13.973) 14.044 7.257 ( 0.812 2.827 -9.955) 10.381 7.473 ( 1.685 -3.605 4.642) 6.114 7.516 ( 5.281 2.737 -5.347) 7.998 7.699 ( -0.864 -3.210 -0.710) 3.399 7.734 ( 2.665 -1.785 -5.361) 6.247 7.855 ( 1.425 -0.680 -0.320) 1.612 7.924 ( 3.200 -8.487 -0.875) 9.113 8.120 ( -2.761 3.874 1.322) 4.938 8.197 ( 11.792 -1.362 1.581) 11.975 8.306 ( -0.032 0.278 1.147) 1.181 8.527 ( 3.476 2.082 0.454) 4.077 8.690 ( 1.118 0.303 -3.881) 4.051 8.994 ( -14.713 -4.294 4.556) 15.990 9.438 ( -13.213 8.860 0.234) 15.910 9.832 ( 9.781 -4.738 10.436) 15.067 10.570 ( 8.001 -6.455 -2.004) 10.473 11.144 ( -1.303 3.367 5.718) 6.763 11.672 ( 1.705 0.287 -6.411) 6.640 12.488 ( -3.893 -8.012 5.070) 10.249 12.980 ( -13.607 -5.229 -0.038) 14.577 14.233 ( -1.876 -1.300 -0.115) 2.286 14.694 ( -4.867 9.063 -5.290) 11.568 15.202 ( 6.687 3.625 3.236) 8.266 15.571 ( 4.663 -3.268 5.386) 7.838 15.813 ( 7.396 4.024 -2.185) 8.699 16.119 ( -2.508 -2.608 -12.054) 12.586 17.283 ( -2.290 -0.073 4.588) 5.129 17.501 ( -0.514 -1.488 -3.649) 3.974 ======================= Grid point 199 (101/160) ======================= q-point: ( 0.43 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -6.922 -3.355 10.563) 13.067 1.930 ( 19.397 2.386 6.687) 20.656 2.192 ( -6.593 0.541 -0.652) 6.647 2.490 ( -10.644 20.298 6.842) 23.919 2.592 ( -4.422 3.479 -0.642) 5.664 2.874 ( -3.755 -1.788 -9.284) 10.174 3.252 ( -3.714 6.744 -1.691) 7.883 3.422 ( -3.857 -0.992 -0.038) 3.983 3.566 ( -2.424 1.663 -7.068) 7.655 3.795 ( -3.279 -0.972 -3.790) 5.105 3.867 ( -7.440 3.269 1.172) 8.210 3.914 ( 1.829 8.461 -2.569) 9.029 4.219 ( -0.211 3.247 1.491) 3.579 4.313 ( 5.271 -0.144 11.343) 12.509 4.475 ( 3.027 2.598 4.237) 5.819 4.717 ( 1.633 3.396 9.367) 10.097 4.769 ( 0.025 8.634 15.699) 17.917 5.043 ( -1.109 0.261 13.099) 13.149 5.123 ( 0.305 0.566 -5.129) 5.170 5.179 ( 6.045 0.267 -2.879) 6.701 5.271 ( -9.151 -2.186 17.634) 19.987 5.509 ( 1.234 0.146 -1.491) 1.941 5.799 ( -2.738 7.870 6.188) 10.379 5.912 ( 12.374 -0.724 2.681) 12.681 6.136 ( 8.698 -1.545 -9.918) 13.282 6.302 ( -1.422 1.138 -2.321) 2.951 6.482 ( -10.424 -1.331 6.361) 12.284 6.760 ( -0.647 -1.176 -7.538) 7.657 6.840 ( -4.816 -8.234 -11.052) 14.599 6.896 ( 2.562 -4.837 -6.127) 8.216 7.070 ( 1.251 1.689 -10.004) 10.223 7.160 ( 3.905 -1.216 0.281) 4.100 7.253 ( 0.369 0.816 -7.552) 7.605 7.529 ( 3.381 -4.135 3.814) 6.563 7.585 ( 2.974 -1.038 -1.427) 3.458 7.697 ( -0.214 -5.856 -4.773) 7.557 7.790 ( 3.563 -0.881 -4.817) 6.056 7.858 ( -1.449 -2.244 -1.103) 2.890 7.967 ( 0.989 -4.015 -0.184) 4.139 8.085 ( -0.442 0.910 0.902) 1.355 8.271 ( -1.751 -1.105 3.547) 4.107 8.440 ( 11.302 -2.874 -0.777) 11.688 8.604 ( 1.434 0.127 4.571) 4.792 8.683 ( -1.578 -0.615 -3.337) 3.742 8.770 ( -6.050 3.099 0.778) 6.842 9.200 ( -10.924 8.967 -3.660) 14.599 10.013 ( 6.990 -3.537 12.562) 14.805 10.676 ( 3.032 -8.798 -4.978) 10.553 11.131 ( -0.646 3.115 7.453) 8.103 11.687 ( 0.952 0.410 -6.766) 6.845 12.431 ( -3.216 -7.850 6.747) 10.839 12.755 ( -9.343 1.226 3.896) 10.197 14.243 ( 2.352 -3.887 -0.848) 4.622 14.615 ( -2.256 8.414 -7.993) 11.823 15.319 ( 5.029 2.740 5.782) 8.138 15.594 ( -2.253 0.604 7.294) 7.658 15.936 ( 3.381 0.789 -7.024) 7.835 16.070 ( 1.528 -3.410 -11.587) 12.175 17.234 ( -3.544 0.560 4.947) 6.111 17.492 ( 0.238 -1.447 -3.725) 4.004 ======================= Grid point 200 (102/160) ======================= q-point: (-0.43 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -16.067 -3.186 10.270) 19.333 2.133 ( 0.383 -0.368 -0.293) 0.607 2.214 ( -1.911 0.631 9.923) 10.125 2.398 ( 7.542 7.769 3.413) 11.352 2.621 ( 6.320 9.467 0.440) 11.391 2.819 ( 0.828 -2.512 -4.830) 5.507 3.184 ( -3.460 19.105 -1.040) 19.444 3.346 ( -4.204 -0.330 -0.655) 4.267 3.527 ( -1.163 -4.321 -1.098) 4.608 3.644 ( -3.889 7.741 -4.534) 9.778 3.885 ( 0.802 5.641 0.352) 5.709 3.996 ( 7.437 2.939 -1.141) 8.078 4.198 ( -1.734 2.997 0.672) 3.528 4.402 ( 2.723 1.832 8.756) 9.350 4.504 ( 0.510 -0.172 3.004) 3.052 4.653 ( -7.797 5.896 14.776) 17.717 4.804 ( 1.253 6.910 3.006) 7.639 4.994 ( -7.130 -4.800 5.022) 9.955 5.095 ( -4.427 -0.984 11.629) 12.481 5.252 ( 4.086 3.192 0.059) 5.185 5.286 ( 3.839 1.607 6.068) 7.358 5.582 ( 6.200 0.756 6.620) 9.101 5.732 ( -3.889 7.201 3.783) 9.016 6.038 ( -2.497 -5.532 2.312) 6.495 6.239 ( 4.056 1.028 -6.027) 7.337 6.294 ( 5.931 -0.777 0.977) 6.061 6.454 ( 3.278 -1.714 5.602) 6.713 6.683 ( -9.009 -6.692 -17.217) 20.552 6.732 ( -1.288 -0.190 -6.825) 6.948 6.962 ( 6.272 -3.103 -13.563) 15.262 7.056 ( -0.996 2.918 -4.507) 5.460 7.209 ( 2.087 0.058 -7.743) 8.019 7.258 ( 0.509 -0.671 3.382) 3.485 7.561 ( -2.668 -4.965 1.573) 5.852 7.636 ( 2.918 -5.183 -2.003) 6.277 7.671 ( -1.045 -8.358 -7.069) 10.996 7.760 ( -3.991 -2.708 0.251) 4.829 7.841 ( -1.293 -4.658 -2.173) 5.300 7.958 ( -1.868 3.937 0.145) 4.360 8.094 ( 1.234 -0.477 -2.274) 2.631 8.272 ( -0.010 -1.829 3.559) 4.001 8.494 ( -4.674 -3.710 1.412) 6.133 8.579 ( -1.470 -2.146 -4.006) 4.776 8.668 ( 2.549 -1.435 2.843) 4.079 8.818 ( 3.208 9.356 4.970) 11.069 9.107 ( 4.666 7.694 -6.064) 10.851 10.111 ( 0.855 -2.873 12.978) 13.319 10.639 ( -5.451 -6.909 -9.389) 12.869 11.161 ( 2.106 0.124 8.526) 8.783 11.679 ( -0.627 -0.481 -6.633) 6.680 12.411 ( 0.564 -6.388 9.193) 11.209 12.674 ( -0.542 1.984 4.822) 5.243 14.308 ( 4.768 -2.810 0.063) 5.534 14.588 ( 0.947 6.775 -9.063) 11.355 15.400 ( 1.995 0.474 7.893) 8.155 15.536 ( -4.452 3.430 5.379) 7.779 15.869 ( -6.531 0.349 -12.493) 14.101 16.152 ( 6.148 -3.413 -8.243) 10.835 17.180 ( -2.917 1.154 6.284) 7.023 17.498 ( 1.022 -1.390 -3.419) 3.830 ======================= Grid point 201 (103/160) ======================= q-point: (-0.29 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -4.105 -1.275 18.388) 18.884 1.997 ( -13.036 1.670 17.795) 22.122 2.269 ( 8.260 -0.645 -6.074) 10.273 2.540 ( 5.801 10.152 -4.279) 12.451 2.747 ( 4.221 4.094 0.903) 5.949 2.946 ( 9.433 7.910 3.806) 12.886 3.169 ( 5.702 12.886 0.271) 14.094 3.276 ( -1.850 -0.809 -1.462) 2.493 3.451 ( -7.475 3.273 6.479) 10.419 3.673 ( 4.392 8.126 1.404) 9.343 3.881 ( -0.569 6.272 0.302) 6.305 4.097 ( 0.091 -1.678 5.883) 6.119 4.177 ( -0.230 2.143 1.185) 2.459 4.464 ( -1.803 3.872 13.800) 14.446 4.536 ( 3.876 0.041 -2.966) 4.881 4.606 ( 6.083 1.422 0.737) 6.291 4.800 ( -2.887 5.587 3.600) 7.246 4.861 ( -5.068 -4.386 0.842) 6.755 5.020 ( -5.938 3.181 9.127) 11.344 5.243 ( -4.010 4.636 -6.395) 8.859 5.303 ( -3.053 0.637 13.287) 13.648 5.723 ( 2.174 1.530 -0.143) 2.662 5.770 ( 10.435 2.707 11.166) 15.521 5.944 ( -5.087 -3.749 5.468) 8.357 6.329 ( -6.307 -2.131 -0.300) 6.664 6.343 ( 4.693 -2.599 -5.855) 7.941 6.476 ( -5.591 -5.918 -9.837) 12.769 6.569 ( 6.885 -3.013 -0.732) 7.551 6.678 ( -2.469 1.182 -12.174) 12.478 7.040 ( -0.100 4.047 -2.201) 4.608 7.064 ( 6.832 -2.293 -15.389) 16.993 7.224 ( -2.207 -1.256 -2.482) 3.551 7.282 ( 4.555 1.968 -2.434) 5.527 7.430 ( -9.011 -4.079 -0.253) 9.895 7.610 ( -4.543 -10.829 -7.162) 13.755 7.653 ( -1.085 -1.077 1.593) 2.208 7.761 ( 1.012 -7.989 -1.626) 8.216 7.797 ( -0.049 -4.192 1.341) 4.402 7.895 ( -4.433 3.534 -1.770) 5.939 8.117 ( 0.803 0.111 -0.504) 0.954 8.218 ( -5.020 -1.265 -4.505) 6.863 8.476 ( 1.088 -1.719 3.580) 4.117 8.510 ( -2.220 -1.185 -1.799) 3.093 8.714 ( -1.703 3.071 -0.689) 3.578 8.883 ( 6.457 2.940 5.618) 9.050 9.306 ( 13.783 6.883 1.098) 15.445 10.070 ( -7.520 -4.615 10.068) 13.387 10.492 ( -7.218 -2.447 -8.858) 11.685 11.202 ( 0.289 -0.987 6.433) 6.515 11.652 ( -0.812 -1.815 -5.826) 6.156 12.491 ( 5.449 -7.924 8.164) 12.615 12.737 ( 6.590 -0.077 4.994) 8.269 14.425 ( 7.926 1.204 0.678) 8.046 14.623 ( 4.278 3.310 -7.188) 8.996 15.366 ( -7.150 -1.685 6.220) 9.625 15.495 ( -1.880 3.886 3.080) 5.303 15.689 ( -9.447 4.239 -10.693) 14.885 16.227 ( 3.244 -3.376 -8.857) 10.018 17.161 ( -0.192 1.254 7.937) 8.038 17.515 ( 1.249 -1.355 -2.985) 3.508 ======================= Grid point 202 (104/160) ======================= q-point: (-0.14 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 7.855 1.135 23.657) 24.953 1.794 ( -11.339 2.874 20.582) 23.674 2.425 ( 7.605 4.129 -9.543) 12.882 2.634 ( 6.349 11.264 -7.325) 14.861 2.750 ( -3.492 9.052 8.943) 13.195 3.058 ( 2.441 5.028 3.448) 6.568 3.301 ( -4.326 9.090 8.941) 13.464 3.340 ( 9.795 -1.839 -2.473) 10.269 3.442 ( 14.858 9.542 5.105) 18.381 3.725 ( 0.731 3.219 1.397) 3.585 3.877 ( -0.015 5.013 -0.317) 5.023 4.036 ( -6.129 0.153 7.499) 9.686 4.210 ( 3.463 -0.191 4.116) 5.383 4.398 ( -6.856 -0.193 11.714) 13.574 4.519 ( -3.448 2.488 -1.862) 4.642 4.706 ( -4.863 2.435 5.423) 7.680 4.757 ( 1.154 1.538 0.794) 2.080 4.878 ( -5.646 -0.620 0.090) 5.680 5.005 ( 14.685 2.579 3.685) 15.358 5.175 ( -0.110 4.934 0.503) 4.961 5.280 ( -0.311 0.143 6.091) 6.100 5.724 ( -3.856 -0.283 -1.512) 4.152 5.848 ( -3.272 -1.814 10.096) 10.767 6.008 ( 10.092 0.857 3.884) 10.847 6.050 ( -17.277 0.121 -2.835) 17.508 6.350 ( -2.648 -3.304 -13.552) 14.198 6.447 ( -0.329 -8.347 -3.798) 9.176 6.600 ( 1.832 -0.929 -13.591) 13.745 6.766 ( 10.403 -0.127 -4.630) 11.388 6.955 ( -11.005 2.103 -0.046) 11.204 7.168 ( 4.311 -1.937 -7.885) 9.194 7.197 ( 5.191 -0.816 -2.806) 5.957 7.265 ( -5.239 0.741 -3.330) 6.251 7.418 ( 6.493 -1.061 -2.966) 7.217 7.486 ( -7.206 -10.311 -5.440) 13.705 7.612 ( -4.080 3.569 6.490) 8.456 7.746 ( -0.858 -4.910 0.347) 4.996 7.798 ( -2.942 -0.757 -4.637) 5.544 7.872 ( 3.862 -8.660 -1.657) 9.626 8.104 ( -2.978 -2.168 -1.438) 3.954 8.138 ( -0.658 3.710 -2.202) 4.365 8.469 ( -2.986 -2.605 1.874) 4.383 8.530 ( 2.932 1.632 -1.732) 3.777 8.611 ( -6.536 7.394 -5.909) 11.502 9.063 ( 10.105 -3.259 11.044) 15.320 9.550 ( 10.657 8.407 6.106) 14.884 9.893 ( -11.659 -8.564 6.579) 15.892 10.372 ( -4.107 0.614 -8.194) 9.186 11.192 ( -2.090 0.532 5.885) 6.268 11.637 ( 0.238 -2.116 -5.635) 6.024 12.580 ( 2.114 -8.799 6.334) 11.046 12.935 ( 13.116 -7.322 0.089) 15.021 14.590 ( 8.655 7.181 -0.999) 11.290 14.729 ( 8.039 -2.953 -1.339) 8.669 15.197 ( -12.088 -0.665 -0.395) 12.113 15.319 ( -13.442 5.104 -5.323) 15.332 15.619 ( 1.192 7.093 4.618) 8.548 16.245 ( 0.622 -2.953 -9.660) 10.120 17.198 ( 2.465 0.594 8.116) 8.503 17.530 ( 0.765 -1.366 -2.746) 3.161 ======================= Grid point 203 (105/160) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 10.314 8.025 19.712) 23.651 1.884 ( -5.362 15.050 15.583) 22.317 2.649 ( 5.770 1.642 -2.304) 6.426 2.859 ( -4.203 10.343 -1.024) 11.211 2.899 ( 3.063 -2.240 -0.783) 3.875 3.040 ( -1.637 2.285 -7.296) 7.819 3.491 ( 0.234 16.486 10.368) 19.477 3.704 ( 6.326 2.773 2.435) 7.324 3.816 ( 0.664 7.140 -2.248) 7.515 3.866 ( -0.719 3.526 3.476) 5.003 3.924 ( -5.075 4.448 4.139) 7.917 4.073 ( 7.838 11.686 1.992) 14.211 4.242 ( -0.698 0.135 16.037) 16.053 4.336 ( -1.970 6.911 6.782) 9.881 4.573 ( -4.551 8.799 -2.861) 10.312 4.698 ( -4.776 2.835 9.095) 10.656 4.807 ( -3.926 6.300 -1.329) 7.541 4.890 ( 6.682 0.559 0.984) 6.777 5.053 ( -0.942 -2.327 17.099) 17.282 5.291 ( -1.843 3.416 -8.028) 8.917 5.453 ( -13.926 -3.000 1.183) 14.295 5.496 ( 11.621 2.647 0.191) 11.920 5.724 ( -3.027 -5.434 2.979) 6.896 5.844 ( -6.043 0.523 -5.538) 8.214 6.177 ( -0.231 -10.479 -4.584) 11.440 6.276 ( 9.841 0.292 -2.232) 10.096 6.308 ( 2.197 2.105 -10.850) 11.268 6.577 ( 3.077 -7.077 -3.611) 8.520 6.694 ( -7.241 -0.089 -1.717) 7.442 6.890 ( 1.375 -8.153 -9.845) 12.856 7.007 ( -0.928 -8.308 -6.069) 10.331 7.183 ( -0.631 -5.056 -2.893) 5.859 7.289 ( 3.445 3.038 -0.059) 4.594 7.356 ( 1.733 3.367 -2.180) 4.369 7.515 ( 4.262 -4.273 -1.412) 6.199 7.521 ( -1.371 -7.091 3.831) 8.175 7.636 ( -4.100 2.210 0.982) 4.760 7.769 ( 1.358 -1.450 -2.765) 3.405 7.783 ( 2.058 -2.543 -2.723) 4.257 8.011 ( -1.215 -1.240 -2.530) 3.068 8.226 ( -1.964 -2.960 3.327) 4.867 8.375 ( -0.280 4.985 0.108) 4.994 8.589 ( 1.191 -1.372 -0.039) 1.817 8.636 ( -2.168 3.881 -3.891) 5.907 9.205 ( 6.708 0.410 8.579) 10.898 9.477 ( -10.548 -9.199 2.554) 14.227 9.866 ( 3.203 6.512 5.179) 8.916 10.281 ( -1.522 -3.801 -5.753) 7.062 11.228 ( -0.151 4.062 5.431) 6.783 11.590 ( 1.613 -3.257 -2.060) 4.178 12.411 ( -0.886 -7.454 2.252) 7.837 12.836 ( 4.414 -14.439 -5.492) 16.066 14.649 ( -8.998 1.671 5.255) 10.553 14.883 ( 6.437 -2.577 5.784) 9.029 15.158 ( 3.102 8.652 -8.764) 12.700 15.275 ( -4.197 5.807 -6.874) 9.929 15.807 ( 1.713 6.420 1.999) 6.939 16.153 ( -0.795 -4.089 -7.544) 8.618 17.264 ( 1.624 0.707 6.066) 6.320 17.487 ( -0.165 -2.752 -1.971) 3.390 ======================= Grid point 204 (106/160) ======================= q-point: ( 0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -3.698 15.787 12.874) 20.704 1.989 ( 1.924 11.045 18.143) 21.328 2.675 ( -4.410 10.583 -6.943) 13.403 2.732 ( -5.152 -3.719 -2.396) 6.791 2.954 ( 0.920 -3.218 -2.039) 3.919 3.060 ( 5.399 1.129 -3.820) 6.710 3.457 ( -8.371 20.267 9.087) 23.737 3.616 ( -9.566 -5.442 -0.345) 11.011 3.747 ( -5.640 5.992 1.509) 8.366 3.850 ( -2.318 6.170 1.802) 6.833 3.970 ( 5.942 -2.805 -1.882) 6.836 4.182 ( 2.023 13.235 8.168) 15.683 4.277 ( 1.267 4.912 17.141) 17.876 4.342 ( 0.889 6.813 3.434) 7.681 4.547 ( 0.277 9.548 -3.102) 10.043 4.654 ( 0.270 2.881 5.569) 6.276 4.827 ( 4.789 10.692 1.603) 11.824 4.980 ( -0.620 -5.400 16.293) 17.175 5.017 ( -6.195 0.433 2.730) 6.784 5.219 ( 1.651 1.319 3.096) 3.748 5.321 ( 1.399 0.003 -8.632) 8.744 5.590 ( -3.603 0.330 9.121) 9.812 5.714 ( -1.184 0.545 -2.792) 3.081 5.802 ( 5.565 -1.128 -9.555) 11.115 6.130 ( -6.255 -7.501 4.901) 10.928 6.275 ( 1.344 5.683 -15.660) 16.713 6.515 ( 10.176 -7.002 -1.010) 12.394 6.579 ( 2.095 -4.270 2.904) 5.572 6.695 ( 4.853 -4.398 -7.320) 9.822 6.878 ( -1.254 -7.224 -8.539) 11.255 7.000 ( 0.079 -4.367 -5.991) 7.414 7.116 ( -4.141 -2.801 -3.290) 5.985 7.343 ( 2.419 0.599 -2.700) 3.674 7.403 ( 0.788 4.757 -1.054) 4.935 7.493 ( -0.562 -3.636 3.382) 4.997 7.563 ( 3.159 -8.199 -3.061) 9.304 7.612 ( 0.350 -0.748 -2.518) 2.650 7.792 ( 0.506 -2.855 -1.734) 3.378 7.825 ( 2.188 -0.266 -2.563) 3.381 8.019 ( 3.277 -1.443 0.223) 3.588 8.121 ( -5.656 -4.229 2.487) 7.487 8.453 ( 5.334 8.437 2.800) 10.367 8.528 ( -4.390 1.174 -0.927) 4.638 8.660 ( 2.211 -0.800 -3.753) 4.429 9.166 ( -10.868 -0.300 3.807) 11.520 9.483 ( 9.061 -7.769 8.097) 14.423 9.825 ( -7.781 6.728 2.130) 10.505 10.307 ( 4.502 -6.677 -2.334) 8.384 11.237 ( 0.119 5.035 4.659) 6.861 11.621 ( 2.075 -2.640 -3.108) 4.576 12.382 ( -2.457 -6.672 2.186) 7.439 12.864 ( -0.610 -15.048 -6.210) 16.290 14.449 ( -11.416 5.809 5.909) 14.107 14.902 ( -3.561 -0.722 1.543) 3.948 15.218 ( 3.918 8.983 -6.123) 11.556 15.351 ( 10.930 0.911 -2.617) 11.276 15.842 ( 1.852 4.962 1.216) 5.434 16.111 ( -2.241 -3.929 -8.199) 9.364 17.291 ( 0.162 0.195 5.096) 5.102 17.475 ( -0.717 -2.645 -2.237) 3.538 ======================= Grid point 205 (107/160) ======================= q-point: ( 0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.387 12.685 9.945) 16.705 1.992 ( -4.022 9.213 13.366) 16.724 2.471 ( -13.125 5.055 -5.770) 15.202 2.689 ( -1.562 0.800 -1.621) 2.389 2.904 ( -5.079 -4.260 -5.587) 8.669 3.129 ( -9.476 4.083 -3.642) 10.942 3.230 ( -2.625 6.487 4.893) 8.539 3.457 ( -5.895 -5.821 -3.815) 9.121 3.755 ( -2.978 8.930 0.767) 9.444 3.792 ( 3.042 6.845 5.987) 9.590 4.046 ( 0.311 -2.728 -2.017) 3.407 4.192 ( 0.389 9.589 3.791) 10.319 4.228 ( -7.751 9.073 8.302) 14.537 4.414 ( 2.590 8.675 10.355) 13.754 4.523 ( -0.219 9.554 -3.573) 10.203 4.706 ( 4.684 3.724 9.374) 11.121 4.908 ( 2.060 8.240 9.111) 12.456 4.994 ( 1.937 -1.958 10.090) 10.459 5.035 ( 6.322 2.374 5.424) 8.662 5.217 ( -2.889 2.180 -2.885) 4.628 5.400 ( 1.820 0.109 -2.164) 2.830 5.519 ( -3.185 -0.023 3.959) 5.081 5.724 ( 4.919 1.911 1.586) 5.511 5.917 ( 7.568 -0.604 -6.780) 10.179 6.010 ( -5.528 0.425 8.672) 10.293 6.313 ( 4.383 2.061 -11.758) 12.716 6.591 ( 0.006 -9.241 -5.745) 10.881 6.675 ( 3.398 -4.921 -4.299) 7.365 6.726 ( -3.408 -6.085 4.647) 8.381 6.791 ( -4.972 -3.681 -1.453) 6.355 7.008 ( 3.784 -3.122 -9.548) 10.735 7.106 ( 3.730 0.003 -6.595) 7.577 7.331 ( -2.867 4.271 -8.502) 9.937 7.392 ( 0.369 -3.796 3.361) 5.083 7.537 ( 0.669 -3.764 0.269) 3.833 7.601 ( 0.815 -3.881 -2.554) 4.716 7.632 ( 4.093 -8.821 -3.684) 10.399 7.766 ( -0.202 -0.213 -4.843) 4.852 7.868 ( 1.661 -1.697 -0.864) 2.527 8.050 ( -1.368 -4.569 3.358) 5.833 8.169 ( 10.393 -2.048 0.447) 10.602 8.419 ( -5.544 5.416 0.423) 7.762 8.561 ( 3.277 0.799 2.865) 4.426 8.677 ( 0.245 -1.844 -4.160) 4.557 8.977 ( -8.226 3.890 1.877) 9.291 9.589 ( -8.382 2.203 2.509) 9.022 9.735 ( 7.155 -1.222 7.109) 10.160 10.394 ( 4.198 -9.829 0.335) 10.694 11.242 ( -0.571 5.727 3.917) 6.962 11.652 ( 1.688 -2.429 -3.984) 4.962 12.337 ( -2.534 -5.290 2.184) 6.259 12.796 ( -5.137 -11.344 -4.892) 13.380 14.296 ( -5.609 6.585 5.937) 10.491 14.818 ( -4.484 2.151 -2.873) 5.744 15.299 ( 4.723 5.019 -0.223) 6.895 15.542 ( 8.627 0.900 0.421) 8.684 15.884 ( 3.039 2.518 -1.960) 4.407 16.044 ( -3.317 -4.128 -9.140) 10.563 17.285 ( -1.607 0.431 4.485) 4.784 17.458 ( -0.572 -2.549 -2.518) 3.629 ======================= Grid point 206 (108/160) ======================= q-point: ( 0.43 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -10.776 5.556 9.129) 15.176 2.019 ( 13.269 6.240 5.639) 15.710 2.235 ( -9.152 3.673 -2.137) 10.090 2.604 ( -9.860 -1.565 2.629) 10.323 2.773 ( -6.865 -5.679 -7.248) 11.485 2.904 ( -4.605 13.433 1.664) 14.298 3.323 ( 6.136 -1.581 0.944) 6.406 3.395 ( -1.532 -1.753 -5.720) 6.175 3.676 ( -2.031 7.564 -1.118) 7.912 3.842 ( -6.212 4.845 -1.964) 8.119 3.964 ( 0.625 7.200 4.276) 8.397 4.125 ( -4.405 9.329 4.728) 11.348 4.294 ( 7.300 5.070 4.082) 9.781 4.415 ( -1.715 10.927 0.453) 11.070 4.541 ( 0.412 4.478 2.054) 4.944 4.828 ( 4.421 6.397 10.344) 12.941 4.971 ( 0.164 0.910 14.570) 14.600 5.029 ( 0.410 7.420 15.676) 17.349 5.130 ( -4.589 -0.244 2.556) 5.258 5.183 ( 6.339 1.680 -6.362) 9.137 5.329 ( -3.845 7.397 5.724) 10.113 5.519 ( 2.012 0.506 -0.657) 2.177 5.859 ( 6.547 -2.848 2.162) 7.460 5.968 ( -1.338 2.464 5.228) 5.932 6.070 ( 8.322 -0.728 -1.654) 8.516 6.358 ( -0.468 3.113 -8.112) 8.701 6.466 ( -7.665 -1.138 3.165) 8.371 6.632 ( -3.779 -8.606 -4.268) 10.322 6.674 ( -0.590 -7.608 -7.372) 10.610 6.806 ( 3.403 -3.785 -3.449) 6.148 7.061 ( 2.733 -2.795 -10.818) 11.502 7.185 ( 5.038 1.851 -2.693) 6.004 7.270 ( -2.252 1.432 -8.088) 8.517 7.395 ( -0.901 -8.264 2.554) 8.696 7.495 ( -2.952 -5.744 1.085) 6.549 7.630 ( 1.617 -1.942 -6.659) 7.123 7.683 ( 1.066 -10.250 -0.822) 10.338 7.784 ( 1.304 0.263 -5.237) 5.403 7.891 ( 2.422 -3.767 0.298) 4.489 8.050 ( 0.464 -3.061 1.663) 3.514 8.309 ( -3.121 1.131 1.866) 3.808 8.386 ( 7.952 -0.331 0.922) 8.012 8.554 ( -3.434 -3.498 -0.857) 4.976 8.650 ( -2.384 -2.909 -4.170) 5.616 8.933 ( 3.278 10.842 4.220) 12.087 9.386 ( -10.229 7.685 -2.362) 13.010 9.920 ( 8.218 -4.603 11.464) 14.837 10.446 ( 1.218 -12.309 -0.996) 12.410 11.229 ( -1.375 5.971 4.307) 7.490 11.663 ( 0.097 -2.787 -4.291) 5.118 12.304 ( -1.152 -3.823 2.326) 4.621 12.690 ( -4.731 -6.973 -2.979) 8.938 14.260 ( 0.432 5.197 5.761) 7.771 14.743 ( -2.750 3.281 -5.058) 6.627 15.374 ( 2.735 2.485 3.462) 5.063 15.647 ( 2.267 4.392 3.059) 5.812 15.951 ( 0.167 0.106 -6.446) 6.449 15.969 ( 1.554 -5.737 -9.551) 11.250 17.252 ( -2.589 1.172 4.508) 5.329 17.449 ( 0.156 -2.541 -2.585) 3.628 ======================= Grid point 207 (109/160) ======================= q-point: (-0.43 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -14.063 6.158 8.542) 17.568 2.154 ( 2.956 2.463 -0.407) 3.870 2.248 ( -1.367 4.774 11.101) 12.161 2.483 ( 5.976 0.338 2.971) 6.682 2.665 ( -2.349 -6.531 -7.560) 10.263 2.953 ( 7.452 9.850 0.425) 12.359 3.313 ( -5.782 -1.228 -6.474) 8.766 3.441 ( 5.688 0.492 5.707) 8.073 3.638 ( -4.242 17.500 -4.974) 18.681 3.796 ( 6.561 3.901 -0.566) 7.654 4.015 ( 0.856 6.424 9.221) 11.271 4.058 ( -3.630 5.287 1.397) 6.563 4.363 ( -2.001 12.827 -2.455) 13.212 4.453 ( 7.286 2.586 3.231) 8.380 4.545 ( 0.651 4.625 2.269) 5.192 4.822 ( -7.683 8.756 13.081) 17.516 4.929 ( -6.772 -1.464 6.775) 9.690 4.978 ( -5.788 8.740 8.251) 13.340 5.086 ( 0.702 1.859 11.870) 12.035 5.269 ( 3.562 -0.812 -10.957) 11.550 5.389 ( 4.107 8.304 5.401) 10.723 5.606 ( 7.989 1.344 10.103) 12.950 5.893 ( -8.066 6.888 1.255) 10.681 5.927 ( -0.548 -4.689 2.396) 5.295 6.155 ( 2.467 -6.866 -3.421) 8.058 6.311 ( 0.876 0.410 1.726) 1.979 6.439 ( 0.509 -0.784 2.580) 2.744 6.517 ( -6.979 -7.900 -11.154) 15.347 6.709 ( 3.068 -2.131 -5.275) 6.464 6.862 ( 4.734 -6.165 -10.065) 12.717 7.087 ( 2.835 -1.464 -9.099) 9.642 7.210 ( -3.001 -1.792 -6.250) 7.161 7.274 ( 3.400 3.396 2.167) 5.271 7.342 ( -3.385 -11.894 -2.229) 12.566 7.470 ( -1.119 -5.811 0.443) 5.934 7.630 ( -0.212 -1.372 -5.782) 5.947 7.670 ( -1.242 -5.603 -2.098) 6.111 7.755 ( -3.203 -2.431 -1.582) 4.321 7.966 ( 3.375 -4.043 -0.352) 5.278 8.051 ( -0.108 -2.923 -0.974) 3.083 8.256 ( -2.709 1.193 2.352) 3.781 8.422 ( -2.035 -2.379 1.707) 3.565 8.528 ( -2.765 -2.773 -3.916) 5.538 8.632 ( 3.838 -2.310 -1.060) 4.604 9.042 ( 4.060 10.920 5.290) 12.795 9.269 ( 0.638 6.990 -2.713) 7.525 10.036 ( 1.312 -3.941 10.896) 11.661 10.435 ( -1.544 -11.519 -4.269) 12.381 11.214 ( -0.857 4.773 5.857) 7.604 11.638 ( -1.882 -3.217 -3.694) 5.248 12.308 ( 1.261 -3.297 2.245) 4.183 12.634 ( -0.673 -5.449 -1.611) 5.722 14.323 ( 5.182 4.155 5.762) 8.793 14.704 ( -0.492 3.661 -5.506) 6.631 15.399 ( -1.220 0.347 5.318) 5.467 15.654 ( -1.422 6.789 1.561) 7.110 15.861 ( -4.385 -1.677 -10.560) 11.557 16.062 ( 5.656 -4.564 -6.968) 10.069 17.214 ( -2.170 1.995 5.253) 6.024 17.455 ( 0.912 -2.628 -2.377) 3.659 ======================= Grid point 208 (110/160) ======================= q-point: (-0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -2.806 7.609 15.022) 17.072 2.107 ( -9.561 8.956 15.529) 20.316 2.296 ( 10.245 2.457 -1.863) 10.699 2.665 ( 5.578 -1.446 -3.705) 6.851 2.732 ( 11.441 -0.546 2.177) 11.659 3.139 ( 7.453 1.602 -2.327) 7.971 3.221 ( 2.456 -0.141 -5.853) 6.349 3.524 ( 0.505 15.185 3.999) 15.711 3.601 ( 3.052 16.054 2.236) 16.493 3.911 ( 0.218 6.748 1.399) 6.895 4.010 ( 0.628 4.692 4.564) 6.575 4.015 ( -2.004 -0.039 8.487) 8.720 4.299 ( -4.558 8.359 -1.733) 9.678 4.530 ( -1.481 3.608 11.245) 11.902 4.662 ( 10.605 5.252 -0.719) 11.856 4.678 ( -6.196 11.678 5.874) 14.466 4.815 ( -2.549 0.458 2.366) 3.508 4.898 ( -5.907 4.395 6.487) 9.813 5.130 ( 1.554 4.489 11.799) 12.719 5.279 ( -3.654 0.429 -7.952) 8.762 5.351 ( -5.413 4.033 0.477) 6.766 5.756 ( -2.713 1.454 0.434) 3.109 5.835 ( 8.468 0.659 6.904) 10.945 5.874 ( -2.566 0.355 8.714) 9.091 6.192 ( 1.175 -8.137 -5.859) 10.096 6.317 ( -10.805 -4.152 -7.268) 13.668 6.346 ( 0.067 -4.805 -2.468) 5.402 6.476 ( 2.539 -5.125 0.986) 5.804 6.727 ( 0.947 3.285 -9.591) 10.182 6.943 ( 5.369 -9.792 -9.665) 14.769 7.131 ( -4.861 -1.056 -3.013) 5.816 7.153 ( 4.492 -1.229 -3.913) 6.083 7.230 ( -4.444 -13.965 -3.698) 15.114 7.366 ( 2.476 4.484 0.148) 5.124 7.434 ( -1.822 -1.036 -3.643) 4.203 7.616 ( -0.784 -3.408 -0.847) 3.599 7.650 ( -0.493 -3.301 -1.535) 3.673 7.687 ( -2.449 -4.855 -2.193) 5.864 7.949 ( -3.845 -0.816 -0.330) 3.944 8.089 ( 3.643 -2.638 -0.830) 4.574 8.176 ( -5.954 -0.352 -3.752) 7.046 8.438 ( 2.472 -1.967 5.322) 6.189 8.471 ( -1.061 -2.188 -1.941) 3.111 8.706 ( 2.759 -1.690 0.580) 3.287 9.045 ( -1.246 9.417 0.289) 9.504 9.420 ( 11.904 2.844 4.055) 12.893 9.981 ( -8.358 -2.732 4.830) 10.032 10.394 ( -1.948 -6.837 -3.818) 8.069 11.218 ( -0.042 2.886 6.442) 7.059 11.594 ( -1.857 -3.434 -2.411) 4.589 12.353 ( 2.823 -4.885 1.998) 5.986 12.658 ( 3.329 -6.825 -1.455) 7.732 14.468 ( 9.265 3.132 5.744) 11.342 14.705 ( 1.413 3.520 -3.941) 5.470 15.340 ( -5.712 0.136 3.389) 6.643 15.592 ( -5.825 4.007 -4.096) 8.171 15.782 ( -1.800 4.401 -5.952) 7.618 16.135 ( 3.359 -4.933 -6.992) 9.193 17.198 ( -0.345 2.297 6.324) 6.737 17.472 ( 1.133 -2.739 -2.072) 3.617 ======================= Grid point 209 (111/160) ======================= q-point: (-0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 9.968 7.283 19.753) 23.294 1.975 ( -7.331 13.165 16.254) 22.164 2.496 ( 10.526 1.455 -1.855) 10.787 2.779 ( 6.780 -0.016 -2.402) 7.193 2.900 ( 4.387 5.828 1.807) 7.515 3.103 ( -3.063 -1.239 -7.208) 7.929 3.426 ( 8.373 2.033 1.643) 8.772 3.535 ( 4.295 21.100 4.969) 22.099 3.733 ( 8.136 15.301 7.334) 18.818 3.866 ( 0.062 6.202 -4.088) 7.429 3.969 ( -3.973 -1.158 9.405) 10.275 4.042 ( -1.807 7.524 5.230) 9.340 4.230 ( -1.047 2.342 3.161) 4.071 4.430 ( -9.025 4.662 15.207) 18.287 4.653 ( -0.830 9.948 -0.243) 9.986 4.750 ( -0.277 2.465 3.856) 4.585 4.788 ( -2.140 3.096 1.496) 4.050 4.936 ( 3.579 3.163 2.040) 5.194 5.070 ( -10.162 2.762 7.915) 13.174 5.225 ( 9.705 2.902 4.009) 10.894 5.321 ( 0.149 1.913 -11.245) 11.408 5.697 ( -7.010 -1.874 2.882) 7.808 5.779 ( -4.068 -4.452 6.752) 9.053 6.034 ( -12.313 -2.237 -7.013) 14.346 6.065 ( 9.245 3.565 3.323) 10.451 6.196 ( -0.509 -8.967 -4.674) 10.125 6.341 ( -1.506 -2.755 -4.424) 5.425 6.519 ( 3.068 -7.340 -7.207) 10.735 6.757 ( 3.560 0.775 -11.003) 11.590 6.956 ( -6.843 -6.830 -2.069) 9.887 7.047 ( -0.773 -9.134 -5.791) 10.843 7.164 ( 0.015 -7.930 -5.128) 9.444 7.227 ( 3.437 3.324 1.371) 4.974 7.362 ( -1.413 1.385 -1.563) 2.522 7.440 ( 3.015 1.454 -4.679) 5.753 7.565 ( -3.710 -5.489 3.335) 7.417 7.671 ( 0.501 -3.228 -0.907) 3.390 7.694 ( 4.013 -5.228 -0.855) 6.645 7.855 ( -5.837 2.197 -1.508) 6.417 8.064 ( -4.151 -0.752 -4.439) 6.124 8.168 ( 4.691 -0.815 0.056) 4.761 8.434 ( -2.850 -0.933 2.022) 3.617 8.523 ( 4.326 -1.712 0.630) 4.695 8.708 ( -2.756 1.149 -1.555) 3.367 9.072 ( 4.542 4.278 4.000) 7.412 9.613 ( 3.131 -7.197 8.330) 11.445 9.810 ( -5.491 5.664 -0.939) 7.944 10.343 ( -3.087 -3.583 -3.878) 6.116 11.225 ( -0.394 2.891 5.888) 6.571 11.575 ( 0.160 -3.614 -1.584) 3.950 12.401 ( 1.575 -6.964 2.103) 7.444 12.742 ( 5.722 -10.474 -3.179) 12.351 14.671 ( 9.928 -0.454 5.577) 11.396 14.732 ( 1.957 3.570 0.312) 4.083 15.217 ( -6.655 2.927 -2.313) 7.629 15.430 ( -9.308 4.654 -8.501) 13.437 15.776 ( 1.105 7.151 0.243) 7.240 16.163 ( 1.021 -4.552 -7.153) 8.540 17.221 ( 1.481 1.691 6.710) 7.076 17.486 ( 0.657 -2.792 -1.901) 3.441 ======================= Grid point 210 (112/160) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 11.147 12.240 15.344) 22.572 2.212 ( -4.622 14.660 10.544) 18.640 2.576 ( 5.634 -7.466 6.517) 11.400 2.699 ( 0.673 -11.512 2.962) 11.906 3.093 ( -3.811 9.535 -5.378) 11.591 3.190 ( 1.140 8.512 -6.452) 10.742 3.641 ( -6.314 -6.325 -2.459) 9.269 3.664 ( 12.004 -2.081 -2.677) 12.473 3.926 ( -0.128 4.592 4.985) 6.779 3.995 ( -11.403 1.703 3.316) 11.997 4.103 ( -2.821 16.606 8.591) 18.909 4.289 ( 8.192 8.381 5.056) 12.764 4.407 ( 5.488 12.355 14.855) 20.086 4.489 ( -0.812 5.084 6.503) 8.294 4.684 ( -3.548 -0.867 6.773) 7.695 4.779 ( -7.993 3.075 3.056) 9.093 4.931 ( 2.371 11.425 0.168) 11.669 5.010 ( -1.737 6.163 -2.131) 6.748 5.081 ( 0.300 6.438 6.767) 9.345 5.296 ( 2.002 -1.950 -12.492) 12.801 5.371 ( -15.914 -3.696 6.059) 17.425 5.586 ( 12.503 4.216 -4.138) 13.828 5.609 ( -5.382 -4.148 2.463) 7.227 5.828 ( -1.681 -3.086 -7.251) 8.058 5.935 ( 0.656 -10.685 -3.277) 11.196 6.185 ( 1.993 -14.460 4.146) 15.175 6.319 ( 1.744 1.842 -0.214) 2.546 6.494 ( 4.557 1.000 -1.766) 4.988 6.627 ( -3.343 -4.176 3.063) 6.164 6.759 ( 2.656 -2.165 -12.965) 13.410 6.909 ( 0.927 -2.607 -11.440) 11.770 7.039 ( -0.953 -7.415 -5.371) 9.206 7.304 ( 0.909 -5.234 3.738) 6.496 7.343 ( -1.098 -8.346 -0.772) 8.454 7.402 ( 1.088 5.029 0.571) 5.177 7.538 ( -0.171 5.437 -3.178) 6.300 7.598 ( 1.090 -3.919 0.514) 4.100 7.744 ( 1.380 -1.317 -0.877) 2.100 7.842 ( 1.575 5.309 -3.263) 6.428 8.017 ( -1.338 1.133 -4.746) 5.060 8.177 ( -3.593 -0.356 4.368) 5.667 8.373 ( 1.123 -5.783 1.375) 6.050 8.559 ( 3.063 0.951 -0.731) 3.289 8.701 ( -0.702 0.387 -3.232) 3.330 9.230 ( 4.407 1.322 7.099) 8.459 9.342 ( -7.894 -2.997 5.107) 9.868 9.981 ( 0.903 4.539 0.836) 4.703 10.180 ( -2.961 -5.361 -3.028) 6.832 11.326 ( 0.921 4.984 3.862) 6.373 11.512 ( 1.594 -3.950 0.865) 4.346 12.319 ( -0.039 -1.021 -2.412) 2.620 12.560 ( 2.156 -11.480 -5.831) 13.056 14.695 ( -4.763 2.629 7.973) 9.653 14.820 ( 2.457 -3.091 7.773) 8.719 15.301 ( 3.357 5.479 -8.450) 10.616 15.384 ( -2.343 3.213 -11.779) 12.432 15.920 ( 0.553 4.364 -0.592) 4.439 16.067 ( -0.730 -3.820 -4.323) 5.815 17.293 ( 0.824 2.091 4.290) 4.843 17.421 ( -0.078 -3.456 -0.344) 3.474 ======================= Grid point 211 (113/160) ======================= q-point: ( 0.14 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -4.013 14.853 8.531) 17.592 2.227 ( 3.742 11.991 13.428) 18.387 2.608 ( -2.246 -7.284 2.820) 8.128 2.741 ( 2.137 -9.850 3.768) 10.760 2.940 ( -9.838 8.592 -5.025) 13.995 3.150 ( -2.857 4.916 -7.190) 9.167 3.460 ( -10.730 -5.762 -3.041) 12.553 3.643 ( -16.891 -5.815 -2.563) 18.047 3.915 ( 7.729 4.543 3.170) 9.509 3.961 ( -1.212 2.466 6.084) 6.676 4.065 ( -2.592 16.871 6.368) 18.218 4.410 ( 3.982 9.079 10.961) 14.779 4.427 ( -5.065 9.178 8.311) 13.377 4.526 ( 3.677 5.081 10.597) 12.314 4.708 ( 0.760 1.727 1.024) 2.147 4.735 ( 2.398 5.100 -1.336) 5.791 4.950 ( -1.441 5.187 8.048) 9.683 5.014 ( 2.370 4.579 -0.571) 5.188 5.076 ( -1.751 8.151 5.662) 10.078 5.231 ( 4.389 0.929 4.176) 6.130 5.309 ( 1.501 -1.643 -10.932) 11.156 5.538 ( -1.986 -4.886 0.350) 5.286 5.773 ( 2.185 -1.614 -3.462) 4.400 5.790 ( 1.178 4.804 -1.645) 5.213 5.968 ( 5.522 -4.690 -2.453) 7.649 6.250 ( 3.596 -16.718 4.792) 17.759 6.361 ( 0.181 1.094 -4.167) 4.312 6.466 ( -0.790 -6.340 6.992) 9.471 6.673 ( 4.895 3.608 -9.477) 11.260 6.797 ( 2.384 -0.639 -10.775) 11.054 6.901 ( -0.590 -4.606 -10.054) 11.074 7.014 ( 0.484 -6.429 -2.571) 6.941 7.297 ( -1.236 -7.365 2.204) 7.786 7.350 ( 0.866 -8.259 3.131) 8.875 7.436 ( 1.684 1.989 -1.091) 2.825 7.517 ( -1.413 4.278 -1.975) 4.920 7.629 ( 1.607 -0.513 -2.740) 3.218 7.762 ( 1.303 -1.630 -4.598) 5.050 7.850 ( -0.960 4.274 -3.587) 5.661 8.003 ( 0.357 -0.507 -0.393) 0.735 8.099 ( -2.539 2.714 3.690) 5.238 8.406 ( 0.956 -7.635 1.643) 7.868 8.607 ( 2.120 1.305 -1.603) 2.961 8.666 ( -2.285 1.313 -4.475) 5.194 9.206 ( -6.641 3.458 4.175) 8.573 9.359 ( 7.377 -3.651 9.536) 12.597 9.938 ( -5.708 4.312 0.152) 7.155 10.157 ( 0.897 -7.100 -0.677) 7.188 11.352 ( 1.075 5.528 2.922) 6.345 11.548 ( 2.010 -3.995 -0.012) 4.472 12.306 ( -0.779 -0.259 -2.505) 2.636 12.574 ( 0.342 -12.135 -6.380) 13.714 14.582 ( -7.716 6.615 7.869) 12.854 14.835 ( -1.975 -4.818 6.223) 8.114 15.359 ( 2.410 4.541 -7.958) 9.474 15.414 ( 8.389 3.343 -8.911) 12.686 15.924 ( -0.050 2.874 -0.620) 2.941 16.030 ( -2.427 -3.470 -4.497) 6.177 17.308 ( -0.028 1.461 3.822) 4.092 17.413 ( -0.609 -3.094 -0.513) 3.195 ======================= Grid point 212 (114/160) ======================= q-point: ( 0.29 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -0.589 12.681 5.006) 13.646 2.199 ( -7.365 10.091 9.141) 15.481 2.528 ( -8.400 -1.244 -1.336) 8.596 2.705 ( -6.119 -0.668 0.497) 6.175 2.778 ( -7.274 -3.280 1.851) 8.191 3.091 ( -4.053 -4.460 -6.105) 8.579 3.308 ( -3.704 -4.228 -4.901) 7.457 3.345 ( -9.228 -0.966 1.191) 9.354 3.880 ( -7.273 4.394 2.924) 8.986 3.977 ( -2.690 -0.700 2.062) 3.461 4.112 ( 6.033 14.745 5.946) 17.005 4.338 ( -3.669 6.151 1.743) 7.371 4.464 ( -1.719 11.095 11.863) 16.334 4.622 ( 3.612 7.222 8.789) 11.936 4.670 ( -1.789 0.943 -0.770) 2.164 4.799 ( 4.407 2.665 5.246) 7.352 4.926 ( -1.151 5.809 9.675) 11.344 5.084 ( 5.909 4.454 1.389) 7.528 5.172 ( 5.080 6.839 5.826) 10.320 5.269 ( 0.072 4.578 -4.372) 6.331 5.417 ( 8.543 0.212 -2.044) 8.787 5.532 ( 1.155 -0.141 0.522) 1.275 5.737 ( -1.837 -2.194 0.319) 2.880 5.822 ( 2.063 0.802 -0.810) 2.357 6.119 ( 8.086 6.059 3.184) 10.594 6.292 ( -3.484 -4.982 -0.019) 6.080 6.322 ( 3.838 -14.226 -2.519) 14.948 6.563 ( 5.801 -9.460 4.891) 12.127 6.671 ( -2.402 3.159 -15.463) 15.965 6.736 ( -7.757 -0.977 -1.835) 8.030 6.925 ( 4.665 -3.510 -7.433) 9.451 7.068 ( 5.248 -3.928 -3.629) 7.493 7.290 ( -0.726 -6.164 2.123) 6.560 7.346 ( -0.730 -7.466 0.678) 7.532 7.445 ( -2.350 0.545 -2.578) 3.531 7.464 ( -2.597 -0.395 -0.834) 2.756 7.643 ( 0.976 2.220 -4.508) 5.119 7.778 ( 1.810 -1.512 -6.847) 7.241 7.830 ( -0.036 1.861 -2.764) 3.332 7.998 ( -0.360 -1.866 0.637) 2.004 8.159 ( 6.901 2.028 1.927) 7.447 8.402 ( -1.281 -5.735 1.167) 5.991 8.591 ( -4.353 1.064 -3.413) 5.633 8.627 ( -0.575 -1.994 -4.524) 4.978 9.136 ( -1.312 9.653 5.200) 11.043 9.496 ( 3.757 -7.116 9.011) 12.081 9.831 ( -3.572 6.775 0.859) 7.708 10.180 ( 0.915 -10.105 1.684) 10.285 11.369 ( 0.252 6.084 1.893) 6.377 11.579 ( 1.246 -4.107 -1.084) 4.427 12.286 ( -0.799 0.546 -2.611) 2.785 12.551 ( -1.512 -11.079 -6.291) 12.829 14.468 ( -5.345 9.044 7.784) 13.075 14.788 ( -3.310 -4.503 3.549) 6.620 15.407 ( 3.500 5.497 -5.179) 8.324 15.573 ( 9.319 0.378 -5.832) 11.000 15.915 ( -0.879 0.619 -2.302) 2.541 15.968 ( -2.957 -2.622 -4.436) 5.941 17.304 ( -1.056 1.388 3.411) 3.831 17.400 ( -0.645 -2.862 -0.689) 3.013 ======================= Grid point 213 (115/160) ======================= q-point: ( 0.43 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -10.235 9.803 6.828) 15.731 2.166 ( 6.325 6.687 1.534) 9.331 2.321 ( -9.006 3.174 -2.687) 9.920 2.547 ( -10.024 -5.707 -2.601) 11.824 2.644 ( -8.051 -1.627 7.533) 11.145 2.980 ( -3.493 -5.713 -3.488) 7.550 3.303 ( 4.892 0.136 -1.325) 5.071 3.361 ( 3.905 -1.050 -3.751) 5.515 3.774 ( -2.892 2.985 3.856) 5.669 3.882 ( -6.395 -1.601 -0.382) 6.603 4.191 ( 0.876 12.577 6.053) 13.985 4.326 ( 0.907 8.864 4.689) 10.068 4.454 ( 0.623 9.031 7.913) 12.023 4.637 ( -1.851 2.354 -2.504) 3.903 4.665 ( 0.190 8.886 4.905) 10.152 4.880 ( 0.881 -4.457 15.126) 15.794 4.967 ( 3.905 9.721 1.149) 10.539 5.147 ( -5.437 2.522 3.383) 6.882 5.183 ( 3.974 -1.530 -3.294) 5.383 5.368 ( 5.984 16.254 7.281) 18.789 5.506 ( 3.182 4.895 -3.034) 6.580 5.560 ( 1.178 6.526 5.316) 8.499 5.740 ( 2.524 -5.573 0.346) 6.128 5.907 ( 6.181 -2.597 0.595) 6.731 6.166 ( -4.118 1.885 4.086) 6.099 6.298 ( 2.581 -9.571 2.775) 10.294 6.394 ( 1.707 -6.310 -6.250) 9.044 6.505 ( -5.939 -0.872 -4.585) 7.553 6.586 ( -5.932 0.010 -6.675) 8.930 6.713 ( 5.220 -6.845 2.355) 8.925 6.973 ( 1.194 -2.774 -6.921) 7.551 7.154 ( 2.997 -4.379 -5.161) 7.403 7.245 ( -3.421 -3.894 0.600) 5.218 7.340 ( -0.485 1.196 -4.546) 4.726 7.380 ( -1.826 -5.478 1.817) 6.053 7.460 ( 2.248 -5.256 -0.341) 5.727 7.649 ( 0.334 1.620 -4.854) 5.128 7.802 ( 0.400 -3.955 -1.804) 4.365 7.829 ( 1.216 3.533 -7.964) 8.797 7.994 ( -0.399 -2.651 -1.109) 2.902 8.285 ( 3.824 -0.624 2.189) 4.450 8.403 ( 3.308 -2.125 -0.838) 4.020 8.491 ( -4.954 -0.594 -3.797) 6.270 8.584 ( -3.158 -3.088 -4.227) 6.114 9.169 ( 3.222 10.932 6.460) 13.101 9.473 ( -5.712 -0.507 2.908) 6.430 9.870 ( 5.530 1.241 7.170) 9.140 10.190 ( 0.005 -11.542 1.463) 11.634 11.364 ( -1.109 6.489 1.534) 6.759 11.585 ( -0.417 -4.255 -1.723) 4.610 12.273 ( -0.073 0.842 -2.651) 2.782 12.509 ( -1.691 -9.181 -5.627) 10.900 14.422 ( -1.006 9.165 7.840) 12.103 14.740 ( -2.175 -3.558 1.898) 4.582 15.452 ( 1.650 5.477 -2.256) 6.149 15.722 ( 7.233 -0.629 -4.119) 8.347 15.854 ( -4.713 -1.991 -5.258) 7.336 15.945 ( 1.266 -1.163 -4.137) 4.480 17.284 ( -1.575 1.888 3.312) 4.125 17.390 ( -0.166 -2.938 -0.737) 3.034 ======================= Grid point 214 (116/160) ======================= q-point: (-0.43 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -11.379 12.306 6.252) 17.888 2.222 ( 2.317 3.263 1.464) 4.261 2.373 ( 0.587 -0.276 -1.365) 1.511 2.439 ( 8.986 -3.659 1.649) 9.842 2.532 ( -3.368 1.298 7.697) 8.501 2.970 ( 2.414 -6.782 -2.568) 7.643 3.326 ( -2.851 2.671 -8.270) 9.147 3.481 ( 9.871 0.213 1.281) 9.956 3.782 ( -2.070 -0.126 1.272) 2.433 3.834 ( 6.145 0.232 5.212) 8.061 4.191 ( -1.514 10.961 5.533) 12.371 4.322 ( -2.582 15.002 6.784) 16.665 4.490 ( -0.944 0.930 0.904) 1.604 4.625 ( 3.151 4.850 -0.507) 5.806 4.674 ( 0.011 9.504 7.697) 12.230 4.878 ( -2.732 -1.205 8.454) 8.965 5.011 ( -0.641 7.668 3.837) 8.598 5.049 ( -4.983 2.306 3.218) 6.364 5.226 ( 1.664 0.399 -2.783) 3.266 5.380 ( -3.242 17.749 1.432) 18.099 5.518 ( -0.785 1.192 1.541) 2.100 5.720 ( 11.193 10.289 8.801) 17.567 5.796 ( 2.564 -4.323 0.025) 5.026 5.993 ( 1.952 -4.550 0.047) 4.951 6.024 ( -10.883 -1.982 -1.504) 11.164 6.259 ( -5.912 -3.406 -0.243) 6.828 6.339 ( -1.400 -9.822 2.383) 10.203 6.425 ( -4.987 -1.232 -5.155) 7.277 6.604 ( 5.188 -4.991 -1.536) 7.361 6.783 ( 1.875 -4.140 1.053) 4.665 6.967 ( 0.765 -5.728 -9.910) 11.472 7.114 ( -4.745 -6.968 -6.240) 10.488 7.202 ( -0.902 -0.240 -0.065) 0.936 7.353 ( -1.231 -4.103 -1.490) 4.535 7.391 ( 5.851 3.419 0.577) 6.801 7.525 ( 3.657 -6.076 -3.426) 7.875 7.632 ( -1.566 1.732 -4.098) 4.716 7.765 ( -3.409 1.898 -1.462) 4.166 7.860 ( 2.797 -4.423 -5.418) 7.532 7.969 ( -1.704 -4.518 -3.528) 5.980 8.303 ( -0.744 2.959 0.149) 3.054 8.411 ( -2.014 1.106 -0.061) 2.298 8.464 ( -2.029 -3.192 -2.604) 4.592 8.561 ( 4.567 -4.337 -2.465) 6.764 9.246 ( 2.320 8.226 6.240) 10.582 9.378 ( -2.836 2.945 2.221) 4.653 9.973 ( 2.782 -1.126 7.208) 7.808 10.196 ( 1.010 -10.541 -0.086) 10.590 11.338 ( -1.865 6.363 2.289) 7.015 11.559 ( -1.997 -4.182 -1.611) 4.907 12.276 ( 0.927 0.436 -2.647) 2.838 12.481 ( -0.129 -8.048 -4.818) 9.381 14.456 ( 3.164 7.695 7.724) 11.353 14.720 ( -0.274 -2.374 1.485) 2.813 15.450 ( -1.623 4.913 -1.048) 5.279 15.743 ( -5.706 -3.836 -7.648) 10.284 15.822 ( 4.005 3.216 -2.270) 5.616 15.985 ( 3.451 -2.931 -5.262) 6.942 17.262 ( -1.226 2.642 3.626) 4.651 17.392 ( 0.472 -3.272 -0.605) 3.361 ======================= Grid point 215 (117/160) ======================= q-point: (-0.29 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -1.272 14.572 10.896) 18.240 2.282 ( 2.756 -1.634 3.853) 5.011 2.356 ( -1.230 7.608 7.879) 11.021 2.541 ( 6.929 -4.963 2.915) 9.007 2.754 ( 16.072 2.133 1.753) 16.307 3.069 ( 8.987 -7.312 -2.304) 11.813 3.260 ( -0.803 5.242 -8.947) 10.400 3.641 ( 5.566 -8.512 -3.008) 10.606 3.819 ( 7.186 8.018 5.952) 12.302 3.975 ( 4.846 1.430 8.571) 9.949 4.170 ( -0.494 11.119 3.360) 11.626 4.256 ( -5.377 17.443 5.656) 19.110 4.400 ( -7.369 0.630 -0.631) 7.423 4.671 ( -3.172 6.311 12.880) 14.690 4.743 ( 6.552 3.382 2.878) 7.915 4.844 ( -0.616 1.703 3.371) 3.827 4.959 ( -5.071 9.252 7.451) 12.916 4.988 ( -1.039 3.810 -1.745) 4.317 5.241 ( -0.002 3.228 -0.337) 3.246 5.319 ( -3.183 12.423 -3.851) 13.390 5.471 ( -5.635 5.802 2.899) 8.592 5.771 ( -6.162 -7.940 0.853) 10.086 5.798 ( -7.261 3.957 -2.891) 8.761 5.887 ( 3.553 -3.100 1.585) 4.974 6.085 ( 6.908 -0.275 -0.284) 6.919 6.201 ( -0.489 -10.782 -1.640) 10.917 6.208 ( -10.583 -3.589 -3.483) 11.705 6.378 ( -2.189 -4.928 8.506) 10.071 6.668 ( 1.906 -9.471 0.502) 9.674 6.795 ( 0.273 -0.419 -6.904) 6.922 6.965 ( -0.433 -8.039 -8.451) 11.672 7.041 ( -0.830 -5.350 -6.801) 8.693 7.216 ( 2.577 2.574 0.704) 3.709 7.326 ( -1.449 -4.592 -1.479) 5.037 7.499 ( 3.898 0.232 0.947) 4.018 7.561 ( -0.814 -2.156 -2.232) 3.208 7.582 ( -0.714 2.585 -6.113) 6.675 7.697 ( -2.561 3.858 -2.252) 5.149 7.871 ( -1.595 -5.034 -2.260) 5.744 7.975 ( 3.904 -6.822 -3.941) 8.792 8.250 ( -4.402 4.999 -1.903) 6.927 8.397 ( -0.724 -2.319 2.355) 3.383 8.443 ( 1.884 0.943 -0.169) 2.114 8.650 ( 4.094 -4.252 -1.918) 6.206 9.223 ( -3.401 7.237 2.494) 8.376 9.418 ( 3.356 -2.295 7.310) 8.364 9.980 ( -1.921 2.466 1.461) 3.450 10.228 ( 1.676 -8.293 -0.010) 8.460 11.313 ( -1.155 5.500 3.593) 6.671 11.517 ( -1.974 -3.923 -0.625) 4.436 12.295 ( 1.414 -0.440 -2.592) 2.985 12.489 ( 1.666 -8.360 -4.498) 9.638 14.556 ( 5.993 5.060 7.524) 10.869 14.733 ( 1.160 -1.259 2.543) 3.066 15.393 ( -3.978 4.816 -2.603) 6.767 15.616 ( -6.358 -2.168 -8.825) 11.091 15.875 ( 2.325 4.488 -2.433) 5.610 16.039 ( 2.944 -4.001 -4.893) 6.973 17.255 ( -0.162 3.101 4.165) 5.195 17.404 ( 0.796 -3.604 -0.404) 3.713 ======================= Grid point 216 (118/160) ======================= q-point: (-0.14 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 8.648 14.279 14.775) 22.293 2.274 ( -3.854 13.787 10.395) 17.692 2.433 ( 7.156 -8.805 6.758) 13.206 2.662 ( 3.864 -7.124 2.442) 8.465 3.024 ( 11.989 6.253 -0.153) 13.523 3.162 ( 1.220 4.794 -6.793) 8.404 3.398 ( 15.215 -2.026 -3.287) 15.697 3.693 ( 1.220 -11.523 -2.817) 11.924 3.965 ( -4.906 11.733 3.697) 13.244 4.023 ( 10.740 8.398 7.120) 15.381 4.173 ( -4.086 15.397 6.137) 17.071 4.210 ( -2.785 7.283 2.516) 8.194 4.277 ( 1.154 2.985 5.615) 6.462 4.574 ( -8.485 7.108 15.098) 18.721 4.776 ( -4.585 -1.742 9.286) 10.502 4.875 ( -0.405 2.061 3.328) 3.936 4.893 ( -0.036 11.197 1.195) 11.261 5.024 ( 2.797 4.588 -5.143) 7.438 5.161 ( -9.858 10.319 6.204) 15.561 5.277 ( 1.726 1.297 -10.188) 10.414 5.403 ( 2.931 8.233 -3.077) 9.265 5.631 ( -9.925 -6.379 4.122) 12.497 5.713 ( -4.171 0.121 2.169) 4.702 5.923 ( 1.204 -10.723 -2.276) 11.028 5.937 ( -10.900 -7.954 -10.290) 16.969 6.167 ( 0.046 -9.535 0.373) 9.542 6.290 ( 4.158 3.224 5.725) 7.776 6.372 ( 3.797 -2.021 0.669) 4.353 6.677 ( -1.020 -10.700 1.780) 10.895 6.774 ( -1.208 -1.287 -9.031) 9.202 6.927 ( -0.935 -4.143 -11.618) 12.370 7.044 ( 1.321 -5.270 -6.925) 8.802 7.286 ( 2.601 0.082 3.403) 4.284 7.306 ( 1.113 -4.355 -0.058) 4.495 7.456 ( -5.092 -0.705 -1.702) 5.415 7.548 ( -0.483 5.596 -2.554) 6.170 7.587 ( 0.588 -4.004 -2.373) 4.691 7.702 ( 2.675 3.735 0.067) 4.595 7.840 ( -0.834 -2.163 -2.160) 3.169 8.035 ( 1.652 -4.144 -5.617) 7.173 8.189 ( -0.801 4.036 1.060) 4.250 8.383 ( -1.457 -4.373 2.603) 5.293 8.499 ( 3.398 1.337 0.300) 3.664 8.699 ( 1.526 -2.595 -2.184) 3.719 9.185 ( -0.571 5.820 3.855) 7.004 9.443 ( -3.025 -7.078 7.603) 10.819 9.957 ( 0.402 6.786 -1.325) 6.925 10.232 ( -1.388 -6.442 -1.359) 6.728 11.309 ( 0.062 4.800 4.196) 6.376 11.495 ( -0.142 -3.848 0.633) 3.903 12.314 ( 0.952 -1.124 -2.464) 2.870 12.522 ( 2.611 -9.792 -4.980) 11.292 14.682 ( 5.065 1.606 7.595) 9.269 14.762 ( 1.269 -0.571 5.406) 5.582 15.314 ( -2.884 5.770 -6.290) 9.009 15.484 ( -5.830 0.066 -10.541) 12.046 15.905 ( 1.310 5.037 -1.511) 5.419 16.070 ( 1.169 -4.080 -4.424) 6.131 17.269 ( 0.795 2.847 4.469) 5.358 17.417 ( 0.552 -3.682 -0.294) 3.734 ======================= Grid point 217 (119/160) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 8.784 -13.318 11.324) 19.564 2.328 ( 8.784 13.318 11.324) 19.564 2.483 ( -2.931 -10.020 5.629) 11.861 2.483 ( -2.931 10.020 5.629) 11.861 3.256 ( -1.739 -4.391 -3.507) 5.883 3.256 ( -1.739 4.391 -3.507) 5.883 3.578 ( 3.704 -2.848 -4.657) 6.597 3.578 ( 3.704 2.848 -4.657) 6.597 3.989 ( -6.587 -1.659 5.387) 8.670 3.989 ( -6.587 1.659 5.387) 8.670 4.357 ( 2.113 -6.658 11.309) 13.292 4.357 ( 2.113 6.658 11.309) 13.292 4.556 ( 5.462 -9.197 1.195) 10.763 4.556 ( 5.462 9.197 1.195) 10.763 4.720 ( -6.322 -8.150 7.436) 12.716 4.720 ( -6.322 8.150 7.436) 12.716 5.089 ( 1.759 -0.757 -0.827) 2.086 5.089 ( 1.759 0.757 -0.827) 2.086 5.233 ( -5.858 -6.794 0.060) 8.971 5.233 ( -5.858 6.794 0.060) 8.971 5.444 ( -7.046 -11.466 -6.126) 14.787 5.444 ( -7.046 11.466 -6.126) 14.787 5.709 ( 6.770 -5.554 -3.706) 9.509 5.709 ( 6.770 5.554 -3.706) 9.509 5.882 ( 1.520 -8.378 4.956) 9.852 5.882 ( 1.520 8.378 4.956) 9.852 6.420 ( -1.899 -6.397 5.568) 8.690 6.420 ( -1.899 6.397 5.568) 8.690 6.681 ( 5.772 -5.724 -4.964) 9.525 6.681 ( 5.772 5.724 -4.964) 9.525 6.914 ( -0.970 -3.563 -14.620) 15.079 6.914 ( -0.970 3.563 -14.620) 15.079 7.241 ( -1.672 -0.524 3.221) 3.667 7.241 ( -1.672 0.524 3.221) 3.667 7.505 ( 0.627 -4.584 0.438) 4.648 7.505 ( 0.627 4.584 0.438) 4.648 7.663 ( 0.493 -5.560 -2.942) 6.310 7.663 ( 0.493 5.560 -2.942) 6.310 7.977 ( 2.263 -5.597 -3.817) 7.143 7.977 ( 2.263 5.597 -3.817) 7.143 8.234 ( -2.509 -5.519 3.679) 7.092 8.234 ( -2.509 5.519 3.679) 7.092 8.632 ( 1.862 -5.124 -3.021) 6.233 8.632 ( 1.862 5.124 -3.021) 6.233 9.286 ( -1.386 -3.355 7.005) 7.890 9.286 ( -1.386 3.355 7.005) 7.890 10.073 ( -1.846 -4.645 -1.267) 5.157 10.073 ( -1.846 4.645 -1.267) 5.157 11.426 ( 1.340 -4.396 2.243) 5.114 11.426 ( 1.340 4.396 2.243) 5.114 12.372 ( 0.924 -6.029 -5.051) 7.920 12.372 ( 0.924 6.029 -5.051) 7.920 14.755 ( -1.051 -3.045 8.586) 9.171 14.755 ( -1.051 3.045 8.586) 9.171 15.389 ( 0.879 -2.508 -10.813) 11.134 15.389 ( 0.879 2.508 -10.813) 11.134 15.996 ( -0.385 -3.158 -2.184) 3.859 15.996 ( -0.385 3.158 -2.184) 3.859 17.350 ( 0.246 -3.180 1.899) 3.712 17.350 ( 0.246 3.180 1.899) 3.712 ======================= Grid point 219 (120/160) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -4.936 -9.945 4.236) 11.883 2.414 ( -4.936 9.945 4.236) 11.883 2.494 ( 5.854 -11.686 9.924) 16.410 2.494 ( 5.854 11.686 9.924) 16.410 3.124 ( -10.271 -7.413 -3.887) 13.250 3.124 ( -10.271 7.413 -3.887) 13.250 3.479 ( -11.103 -7.320 -5.895) 14.547 3.479 ( -11.103 7.320 -5.895) 14.547 3.965 ( 0.970 -1.263 6.842) 7.025 3.965 ( 0.970 1.263 6.842) 7.025 4.376 ( -2.136 -10.423 11.021) 15.319 4.376 ( -2.136 10.423 11.021) 15.319 4.604 ( -0.401 -4.947 4.582) 6.755 4.604 ( -0.401 4.947 4.582) 6.755 4.715 ( 3.048 -4.273 0.360) 5.260 4.715 ( 3.048 4.273 0.360) 5.260 5.100 ( 0.332 -3.923 5.919) 7.109 5.100 ( 0.332 3.923 5.919) 7.109 5.182 ( 1.439 -4.675 -0.793) 4.955 5.182 ( 1.439 4.675 -0.793) 4.955 5.388 ( 1.488 -9.378 -7.399) 12.038 5.388 ( 1.488 9.378 -7.399) 12.038 5.799 ( 2.561 -4.830 -0.661) 5.507 5.799 ( 2.561 4.830 -0.661) 5.507 5.982 ( 8.259 -5.390 3.353) 10.417 5.982 ( 8.259 5.390 3.353) 10.417 6.366 ( -3.589 -2.010 4.456) 6.064 6.366 ( -3.589 2.010 4.456) 6.064 6.796 ( 5.655 -3.381 -11.720) 13.445 6.796 ( 5.655 3.381 -11.720) 13.445 6.860 ( -1.473 -5.290 -6.961) 8.866 6.860 ( -1.473 5.290 -6.961) 8.866 7.225 ( -0.408 -2.030 3.536) 4.098 7.225 ( -0.408 2.030 3.536) 4.098 7.511 ( -0.651 -3.519 0.708) 3.648 7.511 ( -0.651 3.519 0.708) 3.648 7.683 ( 2.118 -4.784 -5.643) 7.695 7.683 ( 2.118 4.784 -5.643) 7.695 7.960 ( -2.572 -4.139 -2.495) 5.475 7.960 ( -2.572 4.139 -2.495) 5.475 8.225 ( 0.771 -8.408 3.338) 9.079 8.225 ( 0.771 8.408 3.338) 9.079 8.642 ( -0.351 -2.451 -4.457) 5.099 8.642 ( -0.351 2.451 -4.457) 5.099 9.291 ( 0.702 -3.857 7.954) 8.867 9.291 ( 0.702 3.857 7.954) 8.867 10.028 ( -2.619 -4.958 -0.257) 5.613 10.028 ( -2.619 4.958 -0.257) 5.613 11.459 ( 1.679 -4.615 1.447) 5.120 11.459 ( 1.679 4.615 1.447) 5.120 12.374 ( 0.157 -6.631 -5.349) 8.521 12.374 ( 0.157 6.631 -5.349) 8.521 14.718 ( -4.065 -6.181 7.987) 10.887 14.718 ( -4.065 6.181 7.987) 10.887 15.430 ( 5.021 -1.850 -9.800) 11.166 15.430 ( 5.021 1.850 -9.800) 11.166 15.972 ( -1.684 -2.154 -1.967) 3.369 15.972 ( -1.684 2.154 -1.967) 3.369 17.352 ( -0.338 -2.619 1.698) 3.139 17.352 ( -0.338 2.619 1.698) 3.139 ======================= Grid point 221 (121/160) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -6.318 -4.200 1.299) 7.697 2.307 ( -6.318 4.200 1.299) 7.697 2.541 ( -3.961 -7.286 7.068) 10.897 2.541 ( -3.961 7.286 7.068) 10.897 2.920 ( -10.252 -10.098 -1.120) 14.433 2.920 ( -10.252 10.098 -1.120) 14.433 3.299 ( -3.979 -2.540 -5.254) 7.063 3.299 ( -3.979 2.540 -5.254) 7.063 3.942 ( -5.209 -2.012 3.994) 6.865 3.942 ( -5.209 2.012 3.994) 6.865 4.357 ( 0.051 -6.251 7.689) 9.910 4.357 ( 0.051 6.251 7.689) 9.910 4.622 ( -0.424 -3.566 5.125) 6.258 4.622 ( -0.424 3.566 5.125) 6.258 4.747 ( 1.627 -7.031 4.458) 8.482 4.747 ( 1.627 7.031 4.458) 8.482 5.131 ( 1.528 -3.252 6.127) 7.103 5.131 ( 1.528 3.252 6.127) 7.103 5.235 ( 2.568 -10.593 -4.256) 11.701 5.235 ( 2.568 10.593 -4.256) 11.701 5.483 ( 9.781 -5.284 -3.083) 11.537 5.483 ( 9.781 5.284 -3.083) 11.537 5.825 ( 0.836 -9.161 0.813) 9.235 5.825 ( 0.836 9.161 0.813) 9.235 6.111 ( 2.121 -5.810 3.664) 7.189 6.111 ( 2.121 5.810 3.664) 7.189 6.351 ( 3.093 -9.416 3.842) 10.629 6.351 ( 3.093 9.416 3.842) 10.629 6.728 ( -6.277 -1.386 -12.279) 13.860 6.728 ( -6.277 1.386 -12.279) 13.860 6.945 ( 6.745 -6.014 -2.470) 9.368 6.945 ( 6.745 6.014 -2.470) 9.368 7.230 ( 0.176 -1.964 1.111) 2.264 7.230 ( 0.176 1.964 1.111) 2.264 7.468 ( -3.915 -0.832 -0.001) 4.002 7.468 ( -3.915 0.832 -0.001) 4.002 7.706 ( 1.235 -3.834 -6.264) 7.447 7.706 ( 1.235 3.834 -6.264) 7.447 7.928 ( 0.048 -4.898 -2.856) 5.669 7.928 ( 0.048 4.898 -2.856) 5.669 8.257 ( 2.176 -6.753 2.101) 7.399 8.257 ( 2.176 6.753 2.101) 7.399 8.601 ( -3.024 -0.692 -5.315) 6.154 8.601 ( -3.024 0.692 -5.315) 6.154 9.333 ( 1.941 -8.589 8.073) 11.946 9.333 ( 1.941 8.589 8.073) 11.946 9.986 ( -1.782 -8.235 1.524) 8.562 9.986 ( -1.782 8.235 1.524) 8.562 11.485 ( 0.869 -4.920 0.345) 5.008 11.485 ( 0.869 4.920 0.345) 5.008 12.361 ( -0.457 -6.585 -5.404) 8.530 12.361 ( -0.457 6.585 -5.404) 8.530 14.652 ( -3.873 -8.045 7.046) 11.374 14.652 ( -3.873 8.045 7.046) 11.374 15.522 ( 5.903 -4.832 -7.957) 11.024 15.522 ( 5.903 4.832 -7.957) 11.024 15.932 ( -2.140 -1.217 -2.116) 3.246 15.932 ( -2.140 1.217 -2.116) 3.246 17.344 ( -0.767 -2.367 1.488) 2.900 17.344 ( -0.767 2.367 1.488) 2.900 ======================= Grid point 223 (122/160) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -2.092 -4.121 1.550) 4.875 2.227 ( -2.092 4.121 1.550) 4.875 2.375 ( -11.447 -6.299 0.164) 13.067 2.375 ( -11.447 6.299 0.164) 13.067 2.780 ( -4.631 -10.812 3.250) 12.203 2.780 ( -4.631 10.812 3.250) 12.203 3.329 ( 5.867 -1.933 -4.726) 7.777 3.329 ( 5.867 1.933 -4.726) 7.777 3.830 ( -5.670 -2.652 3.729) 7.286 3.830 ( -5.670 2.652 3.729) 7.286 4.390 ( 1.022 -4.373 7.190) 8.477 4.390 ( 1.022 4.373 7.190) 8.477 4.599 ( -1.569 -4.046 1.778) 4.690 4.599 ( -1.569 4.046 1.778) 4.690 4.796 ( 1.666 -4.325 9.915) 10.945 4.796 ( 1.666 4.325 9.915) 10.945 5.148 ( -1.428 -2.000 0.816) 2.590 5.148 ( -1.428 2.000 0.816) 2.590 5.277 ( 3.961 -14.331 -3.425) 15.258 5.277 ( 3.961 14.331 -3.425) 15.258 5.678 ( 9.173 -2.145 0.079) 9.421 5.678 ( 9.173 2.145 0.079) 9.421 5.854 ( 2.903 -13.364 0.629) 13.690 5.854 ( 2.903 13.364 0.629) 13.690 6.062 ( -6.140 -4.313 4.758) 8.884 6.062 ( -6.140 4.313 4.758) 8.884 6.477 ( 7.459 -9.313 4.692) 12.821 6.477 ( 7.459 9.313 4.692) 12.821 6.566 ( -9.104 -4.008 -7.539) 12.481 6.566 ( -9.104 4.008 -7.539) 12.481 7.033 ( 1.711 -6.479 -4.746) 8.212 7.033 ( 1.711 6.479 -4.746) 8.212 7.230 ( 0.497 -2.739 -1.298) 3.071 7.230 ( 0.497 2.739 -1.298) 3.071 7.408 ( -1.096 -1.746 0.403) 2.101 7.408 ( -1.096 1.746 0.403) 2.101 7.714 ( 0.776 -4.118 -5.470) 6.891 7.714 ( 0.776 4.118 -5.470) 6.891 7.922 ( -0.926 -4.355 -4.954) 6.661 7.922 ( -0.926 4.355 -4.954) 6.661 8.319 ( 4.178 -3.703 0.522) 5.607 8.319 ( 4.178 3.703 0.522) 5.607 8.524 ( -4.049 -2.550 -4.387) 6.491 8.524 ( -4.049 2.550 -4.387) 6.491 9.372 ( 0.557 -8.038 6.980) 10.660 9.372 ( 0.557 8.038 6.980) 10.660 9.979 ( 0.761 -8.270 3.071) 8.855 9.979 ( 0.761 8.270 3.071) 8.855 11.488 ( -0.666 -5.189 -0.348) 5.243 11.488 ( -0.666 5.189 -0.348) 5.243 12.344 ( -0.356 -5.927 -5.161) 7.867 12.344 ( -0.356 5.927 -5.161) 7.867 14.610 ( -1.636 -8.194 6.545) 10.614 14.610 ( -1.636 8.194 6.545) 10.614 15.598 ( 2.885 -7.816 -6.601) 10.630 15.598 ( 2.885 7.816 -6.601) 10.630 15.899 ( -0.412 -3.149 -2.659) 4.142 15.899 ( -0.412 3.149 -2.659) 4.142 17.331 ( -0.749 -2.605 1.417) 3.058 17.331 ( -0.749 2.605 1.417) 3.058 ======================= Grid point 225 (123/160) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -8.229 -13.038 2.956) 15.699 2.118 ( -8.229 13.038 2.956) 15.699 2.350 ( 7.817 -4.044 0.901) 8.847 2.350 ( 7.817 4.044 0.901) 8.847 2.751 ( 1.104 -12.708 3.288) 13.173 2.751 ( 1.104 12.708 3.288) 13.173 3.414 ( 2.873 -4.971 -6.839) 8.930 3.414 ( 2.873 4.971 -6.839) 8.930 3.806 ( 3.117 -1.981 7.233) 8.121 3.806 ( 3.117 1.981 7.233) 8.121 4.392 ( -2.045 -7.164 4.708) 8.813 4.392 ( -2.045 7.164 4.708) 8.813 4.595 ( 0.570 -6.824 3.580) 7.727 4.595 ( 0.570 6.824 3.580) 7.727 4.830 ( 0.094 -4.428 10.104) 11.032 4.830 ( 0.094 4.428 10.104) 11.032 5.089 ( -3.832 -1.301 -3.219) 5.171 5.089 ( -3.832 1.301 -3.219) 5.171 5.360 ( 4.596 -11.920 -1.643) 12.881 5.360 ( 4.596 11.920 -1.643) 12.881 5.770 ( 1.727 -10.363 -1.871) 10.671 5.770 ( 1.727 10.363 -1.871) 10.671 5.854 ( -7.293 -4.542 -1.199) 8.675 5.854 ( -7.293 4.542 -1.199) 8.675 6.033 ( 4.957 -13.260 7.506) 16.023 6.033 ( 4.957 13.260 7.506) 16.023 6.363 ( -11.204 -6.042 -0.591) 12.743 6.363 ( -11.204 6.042 -0.591) 12.743 6.608 ( 4.876 -6.486 4.322) 9.194 6.608 ( 4.876 6.486 4.322) 9.194 6.989 ( -2.875 -4.722 -10.484) 11.853 6.989 ( -2.875 4.722 -10.484) 11.853 7.251 ( 0.973 -4.501 -0.074) 4.606 7.251 ( 0.973 4.501 -0.074) 4.606 7.443 ( 3.859 -2.134 -0.491) 4.437 7.443 ( 3.859 2.134 -0.491) 4.437 7.717 ( 0.366 -5.122 -3.515) 6.223 7.717 ( 0.366 5.122 -3.515) 6.223 7.875 ( -2.553 -4.113 -6.504) 8.107 7.875 ( -2.553 4.113 -6.504) 8.107 8.380 ( 0.270 -4.026 -1.632) 4.353 8.380 ( 0.270 4.026 -1.632) 4.353 8.470 ( 0.827 -3.705 -1.525) 4.091 8.470 ( 0.827 3.705 -1.525) 4.091 9.373 ( -1.451 -3.480 6.045) 7.124 9.373 ( -1.451 3.480 6.045) 7.124 10.019 ( 2.728 -5.709 2.934) 6.974 10.019 ( 2.728 5.709 2.934) 6.974 11.462 ( -1.936 -5.241 -0.172) 5.590 11.462 ( -1.936 5.241 -0.172) 5.590 12.335 ( 0.407 -5.217 -4.784) 7.090 12.335 ( 0.407 5.217 -4.784) 7.090 14.616 ( 1.018 -6.923 6.368) 9.461 14.616 ( 1.018 6.923 6.368) 9.461 15.592 ( -2.114 -7.957 -6.193) 10.302 15.592 ( -2.114 7.957 -6.193) 10.302 15.917 ( 2.497 -3.966 -3.257) 5.707 15.917 ( 2.497 3.966 -3.257) 5.707 17.324 ( -0.288 -3.172 1.553) 3.543 17.324 ( -0.288 3.172 1.553) 3.543 ======================= Grid point 227 (124/160) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.780 -15.331 6.647) 16.728 2.053 ( 0.780 15.331 6.647) 16.728 2.491 ( 3.889 -3.136 5.033) 7.091 2.491 ( 3.889 3.136 5.033) 7.092 2.878 ( 13.222 -9.384 0.641) 16.226 2.878 ( 13.222 9.384 0.641) 16.226 3.426 ( 0.936 -9.940 -6.871) 12.120 3.426 ( 0.936 9.940 -6.871) 12.120 3.943 ( 8.460 -3.645 8.935) 12.833 3.943 ( 8.460 3.645 8.935) 12.833 4.341 ( -3.842 -5.589 3.317) 7.550 4.341 ( -3.842 5.589 3.317) 7.550 4.598 ( -2.081 -11.454 4.059) 12.329 4.598 ( -2.081 11.454 4.059) 12.329 4.841 ( -0.293 -2.946 8.953) 9.430 4.841 ( -0.293 2.946 8.953) 9.430 5.026 ( -1.749 -3.363 -2.986) 4.826 5.026 ( -1.749 3.363 -2.986) 4.826 5.416 ( 0.975 -11.947 -3.332) 12.442 5.416 ( 0.975 11.947 -3.332) 12.442 5.666 ( -8.506 -4.483 -0.426) 9.624 5.666 ( -8.506 4.483 -0.426) 9.624 5.796 ( -0.659 -6.069 -1.144) 6.211 5.796 ( -0.659 6.069 -1.144) 6.211 6.027 ( -10.157 -4.273 -2.254) 11.247 6.027 ( -10.157 4.273 -2.254) 11.247 6.265 ( 3.240 -4.967 9.831) 11.481 6.265 ( 3.240 4.967 9.831) 11.481 6.659 ( 0.043 -7.332 3.103) 7.962 6.659 ( 0.043 7.332 3.103) 7.962 6.946 ( 0.590 -3.480 -14.357) 14.785 6.946 ( 0.590 3.480 -14.357) 14.785 7.260 ( 0.112 -2.131 1.183) 2.440 7.260 ( 0.112 2.131 1.183) 2.440 7.499 ( 1.715 -1.893 -2.416) 3.516 7.499 ( 1.715 1.893 -2.416) 3.516 7.711 ( -1.157 -5.416 -0.348) 5.549 7.711 ( -1.157 5.416 -0.348) 5.549 7.842 ( 1.433 -4.876 -6.563) 8.300 7.842 ( 1.433 4.876 -6.563) 8.300 8.337 ( -2.923 -3.325 -0.314) 4.439 8.337 ( -2.923 3.325 -0.314) 4.439 8.530 ( 3.944 -6.293 -1.357) 7.550 8.530 ( 3.944 6.293 -1.357) 7.550 9.346 ( -2.338 -4.553 5.940) 7.841 9.346 ( -2.338 4.553 5.940) 7.841 10.072 ( 2.158 -6.159 1.082) 6.616 10.072 ( 2.158 6.159 1.082) 6.616 11.425 ( -1.727 -4.922 0.884) 5.290 11.425 ( -1.727 4.922 0.884) 5.290 12.342 ( 1.137 -4.958 -4.580) 6.845 12.342 ( 1.137 4.958 -4.580) 6.845 14.664 ( 2.763 -4.741 6.639) 8.613 14.664 ( 2.763 4.741 6.639) 8.613 15.518 ( -4.170 -6.286 -7.323) 10.514 15.518 ( -4.170 6.286 -7.323) 10.514 15.962 ( 2.556 -3.715 -3.176) 5.516 15.962 ( 2.556 3.715 -3.176) 5.516 17.327 ( 0.296 -3.644 1.798) 4.075 17.327 ( 0.296 3.644 1.798) 4.075 ======================= Grid point 229 (125/160) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 7.478 -15.824 10.263) 20.289 2.152 ( 7.478 15.824 10.263) 20.289 2.513 ( -1.326 -8.535 6.185) 10.623 2.513 ( -1.326 8.535 6.185) 10.623 3.158 ( 12.956 -5.450 -0.893) 14.083 3.158 ( 12.956 5.450 -0.893) 14.083 3.465 ( 5.295 -8.864 -5.101) 11.517 3.465 ( 5.295 8.864 -5.101) 11.517 4.076 ( 1.100 -1.642 6.694) 6.980 4.076 ( 1.100 1.642 6.694) 6.980 4.288 ( 0.027 -1.959 4.080) 4.526 4.288 ( 0.027 1.959 4.080) 4.526 4.539 ( -3.569 -12.603 5.844) 14.343 4.539 ( -3.569 12.603 5.844) 14.343 4.822 ( -4.540 -6.937 9.173) 12.364 4.822 ( -4.540 6.937 9.173) 12.364 5.035 ( 3.327 -3.968 -4.012) 6.550 5.035 ( 3.327 3.968 -4.012) 6.550 5.350 ( -6.150 -9.088 -3.771) 11.603 5.350 ( -6.150 9.088 -3.771) 11.603 5.602 ( 0.311 -6.911 -2.999) 7.540 5.602 ( 0.311 6.911 -2.999) 7.540 5.678 ( -10.989 -12.911 -0.496) 16.961 5.678 ( -10.989 12.911 -0.496) 16.961 5.881 ( -2.343 -8.783 1.730) 9.254 5.881 ( -2.343 8.783 1.730) 9.254 6.376 ( 5.135 -1.282 6.217) 8.165 6.376 ( 5.135 1.282 6.217) 8.165 6.644 ( -0.837 -7.174 -0.154) 7.225 6.644 ( -0.837 7.174 -0.154) 7.225 6.940 ( 0.793 -4.034 -15.637) 16.168 6.940 ( 0.793 4.034 -15.637) 16.168 7.260 ( -0.659 -0.760 2.475) 2.672 7.260 ( -0.659 0.760 2.475) 2.672 7.503 ( -0.249 -3.815 -1.795) 4.224 7.503 ( -0.249 3.815 -1.795) 4.224 7.677 ( -1.618 -5.518 -0.736) 5.797 7.677 ( -1.618 5.518 -0.736) 5.797 7.905 ( 5.177 -7.098 -4.327) 9.793 7.905 ( 5.177 7.098 -4.327) 9.793 8.285 ( -2.962 -4.609 1.711) 5.740 8.285 ( -2.962 4.609 1.711) 5.740 8.591 ( 2.906 -6.389 -1.961) 7.287 8.591 ( 2.906 6.389 -1.961) 7.287 9.312 ( -2.353 -6.044 6.288) 9.033 9.312 ( -2.353 6.044 6.288) 9.033 10.093 ( 0.037 -6.516 -0.799) 6.564 10.093 ( 0.037 6.516 -0.799) 6.564 11.410 ( -0.135 -4.477 2.030) 4.918 11.410 ( -0.135 4.477 2.030) 4.918 12.359 ( 1.327 -5.293 -4.710) 7.209 12.359 ( 1.327 5.293 -4.710) 7.209 14.727 ( 2.289 -2.312 7.646) 8.309 14.727 ( 2.289 2.312 7.646) 8.309 15.431 ( -3.194 -4.710 -9.416) 11.002 15.431 ( -3.194 4.710 -9.416) 11.002 15.992 ( 1.181 -3.595 -2.680) 4.637 15.992 ( 1.181 3.595 -2.680) 4.637 17.338 ( 0.542 -3.644 1.950) 4.169 17.338 ( 0.542 3.644 1.950) 4.169 ======================= Grid point 252 (126/160) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -9.575 0.000 21.871) 23.875 2.034 ( -5.551 0.000 16.301) 17.220 2.269 ( 2.571 0.000 -8.114) 8.511 2.372 ( 12.016 0.000 -19.068) 22.538 2.838 ( 6.929 0.000 2.880) 7.503 2.907 ( -5.076 0.000 -5.130) 7.217 3.348 ( -6.706 0.000 10.840) 12.747 3.515 ( 10.512 0.000 -6.557) 12.390 3.718 ( -2.582 0.000 1.806) 3.151 3.760 ( 0.289 0.000 -0.043) 0.292 3.793 ( 14.491 0.000 4.966) 15.318 3.918 ( -9.393 0.000 -4.483) 10.409 4.319 ( 0.009 0.000 3.737) 3.737 4.384 ( -2.284 0.000 -2.635) 3.487 4.588 ( -10.953 0.000 10.329) 15.055 4.643 ( 1.281 0.000 1.434) 1.923 4.869 ( 5.492 0.000 11.039) 12.330 4.955 ( 6.640 0.000 -2.688) 7.163 5.041 ( -2.837 0.000 9.184) 9.612 5.411 ( -16.217 0.000 -10.828) 19.499 5.478 ( 20.252 0.000 3.042) 20.479 5.615 ( -4.747 0.000 -17.431) 18.066 5.619 ( 4.150 0.000 16.590) 17.101 5.809 ( -15.906 0.000 -7.288) 17.496 6.033 ( -4.472 0.000 12.639) 13.406 6.271 ( 5.409 0.000 7.049) 8.886 6.323 ( 5.652 0.000 -15.515) 16.513 6.543 ( 7.061 0.000 -18.819) 20.100 6.741 ( -11.220 0.000 13.052) 17.212 6.983 ( 4.530 0.000 8.296) 9.453 7.031 ( 8.206 0.000 -15.864) 17.861 7.126 ( -4.364 0.000 -5.905) 7.342 7.356 ( -2.801 0.000 4.129) 4.989 7.405 ( -9.713 0.000 -0.283) 9.718 7.448 ( 3.513 0.000 0.307) 3.526 7.471 ( 6.505 0.000 -3.125) 7.217 7.824 ( -3.433 0.000 0.893) 3.547 7.858 ( 6.152 0.000 -1.931) 6.448 7.950 ( 1.217 0.000 -1.205) 1.713 7.951 ( -4.390 0.000 -0.037) 4.390 8.164 ( -8.402 0.000 0.116) 8.402 8.179 ( 5.662 0.000 -0.942) 5.739 8.513 ( -2.044 0.000 0.759) 2.181 8.542 ( 3.071 0.000 -1.986) 3.657 9.617 ( 12.177 0.000 10.441) 16.040 9.682 ( -4.566 0.000 3.020) 5.474 9.911 ( -17.253 0.000 6.109) 18.302 10.098 ( 10.655 0.000 -12.215) 16.209 11.295 ( -1.896 0.000 8.825) 9.027 11.479 ( 1.227 0.000 -9.635) 9.712 12.866 ( -3.675 0.000 11.167) 11.756 13.104 ( 6.530 0.000 -12.645) 14.231 14.632 ( 9.607 0.000 0.681) 9.631 14.643 ( -15.529 0.000 -0.663) 15.543 15.093 ( -9.015 0.000 1.115) 9.083 15.117 ( 12.431 0.000 -1.248) 12.493 15.792 ( 1.614 0.000 11.338) 11.452 16.022 ( -1.433 0.000 -12.021) 12.107 17.382 ( 1.228 0.000 5.411) 5.549 17.475 ( -0.420 0.000 -4.200) 4.221 ======================= Grid point 253 (127/160) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -8.695 0.000 19.229) 21.103 2.000 ( -0.939 0.000 15.711) 15.739 2.313 ( 3.261 0.000 -4.843) 5.839 2.447 ( -1.574 0.000 -20.799) 20.859 2.825 ( -1.959 0.000 -3.405) 3.928 2.967 ( 1.923 0.000 -0.281) 1.944 3.181 ( -9.256 0.000 3.617) 9.937 3.613 ( 1.870 0.000 -7.478) 7.708 3.665 ( -5.676 0.000 -3.548) 6.694 3.746 ( -2.468 0.000 -0.001) 2.468 3.755 ( -4.843 0.000 -2.257) 5.343 4.065 ( 13.106 0.000 0.884) 13.136 4.311 ( -0.980 0.000 6.459) 6.533 4.343 ( -1.721 0.000 -1.841) 2.520 4.493 ( -1.418 0.000 14.416) 14.486 4.673 ( -1.790 0.000 5.698) 5.973 4.952 ( 1.312 0.000 -5.591) 5.743 4.984 ( -15.237 0.000 -0.907) 15.264 5.067 ( 3.438 0.000 26.660) 26.881 5.155 ( 7.993 0.000 -10.206) 12.963 5.526 ( 1.800 0.000 -27.546) 27.605 5.591 ( -0.742 0.000 11.650) 11.674 5.669 ( -1.600 0.000 -1.039) 1.908 5.818 ( 3.551 0.000 19.102) 19.429 5.989 ( -2.149 0.000 11.913) 12.106 6.413 ( 6.762 0.000 -15.688) 17.083 6.487 ( 12.138 0.000 -3.184) 12.549 6.560 ( -4.191 0.000 13.978) 14.593 6.619 ( 4.151 0.000 -23.141) 23.511 7.003 ( -3.883 0.000 -11.408) 12.051 7.096 ( -2.635 0.000 4.944) 5.602 7.146 ( -7.781 0.000 -5.180) 9.348 7.184 ( -2.572 0.000 8.875) 9.240 7.223 ( 4.340 0.000 -3.801) 5.769 7.608 ( 5.428 0.000 2.947) 6.176 7.629 ( 8.111 0.000 -1.752) 8.298 7.711 ( -6.807 0.000 -0.893) 6.866 7.930 ( 2.774 0.000 -1.660) 3.233 7.937 ( 2.795 0.000 -4.555) 5.345 7.971 ( 0.582 0.000 3.598) 3.645 8.074 ( -1.001 0.000 2.538) 2.729 8.305 ( 7.418 0.000 1.797) 7.633 8.476 ( -1.706 0.000 -0.193) 1.717 8.589 ( 2.288 0.000 -2.611) 3.472 9.510 ( -11.862 0.000 -3.449) 12.353 9.571 ( -20.154 0.000 5.046) 20.776 9.856 ( 11.871 0.000 9.837) 15.417 10.328 ( 13.349 0.000 -7.212) 15.173 11.281 ( -1.351 0.000 9.430) 9.527 11.491 ( 1.699 0.000 -8.978) 9.138 12.792 ( -5.646 0.000 8.779) 10.438 13.126 ( -2.282 0.000 -12.991) 13.190 14.368 ( -11.949 0.000 3.495) 12.449 14.681 ( -5.865 0.000 1.943) 6.178 15.072 ( 7.426 0.000 1.658) 7.609 15.384 ( 15.137 0.000 -4.321) 15.742 15.828 ( 0.148 0.000 11.296) 11.297 15.965 ( -2.430 0.000 -12.308) 12.546 17.396 ( -0.676 0.000 4.585) 4.635 17.452 ( -1.132 0.000 -4.952) 5.080 ======================= Grid point 254 (128/160) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 5.002 0.000 13.302) 14.211 2.045 ( 3.249 0.000 8.749) 9.333 2.316 ( -6.710 0.000 -13.246) 14.849 2.369 ( 2.494 0.000 -0.260) 2.507 2.724 ( -20.122 0.000 4.226) 20.561 2.789 ( -2.093 0.000 -4.946) 5.371 3.227 ( 8.169 0.000 -8.071) 11.484 3.494 ( -8.451 0.000 -7.397) 11.231 3.520 ( -12.497 0.000 1.349) 12.570 3.702 ( -0.366 0.000 -6.587) 6.598 3.736 ( 0.720 0.000 -0.171) 0.740 4.163 ( -14.978 0.000 0.145) 14.979 4.274 ( 3.928 0.000 -2.067) 4.439 4.309 ( -0.768 0.000 7.389) 7.428 4.550 ( 3.316 0.000 14.500) 14.875 4.597 ( 1.645 0.000 -0.938) 1.894 4.907 ( 4.225 0.000 -2.895) 5.122 4.944 ( -0.498 0.000 -5.786) 5.807 5.217 ( 7.209 0.000 32.706) 33.491 5.329 ( 9.089 0.000 -9.969) 13.490 5.546 ( -6.672 0.000 14.938) 16.360 5.587 ( 8.551 0.000 -21.782) 23.400 5.728 ( 8.580 0.000 -1.519) 8.713 5.805 ( -5.744 0.000 15.997) 16.997 5.974 ( -3.053 0.000 17.094) 17.364 6.422 ( -4.672 0.000 9.782) 10.840 6.503 ( 4.768 0.000 -16.957) 17.614 6.590 ( -2.957 0.000 -25.772) 25.941 6.822 ( 12.820 0.000 -3.377) 13.258 6.873 ( -13.569 0.000 5.623) 14.689 6.905 ( -5.707 0.000 -9.288) 10.901 7.001 ( -2.089 0.000 -4.158) 4.653 7.341 ( 9.333 0.000 11.278) 14.639 7.363 ( 8.153 0.000 -4.771) 9.446 7.615 ( -0.053 0.000 -4.410) 4.410 7.658 ( -0.908 0.000 7.292) 7.349 7.742 ( 3.893 0.000 -0.285) 3.903 7.960 ( -1.632 0.000 1.926) 2.524 7.972 ( 0.766 0.000 -1.990) 2.132 7.972 ( 1.396 0.000 -4.071) 4.304 8.183 ( 11.960 0.000 -1.014) 12.003 8.401 ( 0.409 0.000 4.086) 4.106 8.499 ( 6.158 0.000 1.663) 6.379 8.615 ( 1.112 0.000 -3.207) 3.395 9.192 ( -21.260 0.000 3.905) 21.616 9.261 ( -13.837 0.000 -5.450) 14.872 10.088 ( 11.098 0.000 10.344) 15.171 10.526 ( 8.707 0.000 -7.731) 11.644 11.276 ( -0.760 0.000 10.163) 10.192 11.508 ( 1.512 0.000 -8.647) 8.778 12.706 ( -4.408 0.000 6.207) 7.613 12.987 ( -9.779 0.000 -6.845) 11.936 14.243 ( -2.324 0.000 1.943) 3.030 14.529 ( -8.543 0.000 -1.109) 8.615 15.258 ( 9.846 0.000 6.112) 11.589 15.635 ( 12.419 0.000 -6.569) 14.049 15.830 ( -2.050 0.000 11.121) 11.308 15.894 ( -2.845 0.000 -12.664) 12.980 17.374 ( -2.362 0.000 4.573) 5.147 17.425 ( -0.655 0.000 -5.495) 5.534 ======================= Grid point 255 (129/160) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 10.973 0.000 4.356) 11.806 2.133 ( 3.942 0.000 -6.045) 7.216 2.211 ( -1.568 0.000 1.603) 2.242 2.239 ( -16.900 0.000 7.147) 18.349 2.566 ( 4.498 0.000 5.144) 6.833 2.744 ( -1.211 0.000 -5.588) 5.717 3.226 ( -17.128 0.000 4.575) 17.729 3.267 ( -1.894 0.000 -11.374) 11.531 3.473 ( 7.544 0.000 -2.634) 7.990 3.657 ( -5.939 0.000 -6.818) 9.042 3.768 ( 3.305 0.000 -2.017) 3.871 3.845 ( -12.236 0.000 1.818) 12.370 4.297 ( -1.947 0.000 6.861) 7.132 4.367 ( 4.874 0.000 -5.143) 7.085 4.611 ( 0.189 0.000 11.113) 11.115 4.675 ( 4.422 0.000 -1.346) 4.622 4.916 ( -1.966 0.000 -0.923) 2.172 4.973 ( 2.144 0.000 -6.748) 7.080 5.411 ( -8.816 0.000 13.489) 16.115 5.436 ( 7.796 0.000 35.036) 35.893 5.459 ( 7.231 0.000 -5.512) 9.092 5.698 ( -7.377 0.000 18.226) 19.662 5.763 ( 13.359 0.000 -17.032) 21.646 5.916 ( -6.344 0.000 14.339) 15.680 5.946 ( 14.135 0.000 -6.744) 15.662 6.363 ( -4.170 0.000 7.032) 8.175 6.395 ( -9.235 0.000 -29.745) 31.145 6.561 ( 1.319 0.000 -14.422) 14.483 6.668 ( -7.723 0.000 9.486) 12.232 6.824 ( -0.228 0.000 -9.264) 9.267 6.963 ( 3.140 0.000 -2.045) 3.747 7.002 ( 1.142 0.000 -5.664) 5.778 7.459 ( -0.485 0.000 10.611) 10.622 7.489 ( 5.981 0.000 -3.509) 6.934 7.659 ( 5.376 0.000 0.060) 5.376 7.721 ( 6.749 0.000 1.268) 6.867 7.759 ( -1.784 0.000 -0.150) 1.790 7.919 ( -3.416 0.000 -0.219) 3.423 7.971 ( -0.986 0.000 -4.720) 4.822 7.972 ( -0.151 0.000 -0.866) 0.879 8.403 ( -0.222 0.000 5.703) 5.708 8.429 ( 12.397 0.000 -3.635) 12.919 8.637 ( 3.662 0.000 -3.196) 4.860 8.652 ( 9.045 0.000 5.210) 10.438 8.818 ( -18.722 0.000 2.708) 18.917 8.994 ( -13.351 0.000 -5.877) 14.587 10.285 ( 7.696 0.000 11.291) 13.664 10.598 ( 0.061 0.000 -10.000) 10.000 11.295 ( 0.971 0.000 10.413) 10.458 11.512 ( 0.496 0.000 -9.166) 9.180 12.669 ( -0.271 0.000 5.185) 5.192 12.799 ( -8.417 0.000 -0.374) 8.426 14.262 ( 3.583 0.000 -0.462) 3.613 14.390 ( -5.815 0.000 -3.013) 6.549 15.430 ( 7.233 0.000 8.553) 11.202 15.747 ( -2.144 0.000 -10.062) 10.287 15.783 ( -5.027 0.000 10.580) 11.714 15.882 ( 6.740 0.000 -10.954) 12.862 17.332 ( -2.795 0.000 5.340) 6.027 17.415 ( 0.667 0.000 -5.366) 5.407 ======================= Grid point 256 (130/160) ======================= q-point: (-0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -10.877 0.000 12.408) 16.501 2.081 ( -4.257 0.000 -4.917) 6.503 2.213 ( 6.842 0.000 1.041) 6.921 2.325 ( 7.530 0.000 0.281) 7.535 2.678 ( 3.977 0.000 2.806) 4.867 2.707 ( -1.487 0.000 -9.573) 9.688 3.032 ( -2.243 0.000 11.754) 11.966 3.308 ( 8.822 0.000 -3.112) 9.355 3.465 ( -9.957 0.000 -2.679) 10.311 3.593 ( 3.653 0.000 0.471) 3.683 3.751 ( -1.385 0.000 -0.771) 1.585 3.898 ( 12.549 0.000 -3.436) 13.011 4.259 ( -3.081 0.000 5.355) 6.178 4.429 ( 2.856 0.000 -6.266) 6.886 4.587 ( -3.991 0.000 8.215) 9.133 4.728 ( 1.288 0.000 -0.867) 1.552 4.870 ( -3.446 0.000 6.327) 7.205 4.958 ( -2.029 0.000 -7.068) 7.354 5.260 ( -9.313 0.000 12.615) 15.680 5.427 ( -11.658 0.000 17.082) 20.681 5.585 ( 6.819 0.000 -3.852) 7.832 5.738 ( -2.657 0.000 19.711) 19.889 5.848 ( 5.254 0.000 19.416) 20.114 5.982 ( 11.929 0.000 -14.949) 19.125 6.153 ( -9.671 0.000 -30.212) 31.722 6.183 ( 11.017 0.000 -14.039) 17.846 6.280 ( -5.994 0.000 12.126) 13.526 6.559 ( 1.958 0.000 -11.031) 11.203 6.638 ( 1.911 0.000 8.689) 8.897 6.854 ( 3.483 0.000 -7.379) 8.159 6.972 ( -0.959 0.000 -0.790) 1.242 6.988 ( -1.316 0.000 -7.684) 7.796 7.411 ( -4.996 0.000 5.549) 7.467 7.549 ( 0.029 0.000 -0.884) 0.885 7.738 ( 1.600 0.000 -6.115) 6.321 7.747 ( 2.013 0.000 2.450) 3.171 7.781 ( -10.133 0.000 -3.982) 10.887 7.838 ( 4.079 0.000 1.732) 4.431 7.949 ( -1.243 0.000 0.718) 1.435 7.975 ( 1.283 0.000 -0.977) 1.613 8.356 ( -8.227 0.000 3.516) 8.947 8.509 ( -0.795 0.000 -5.138) 5.199 8.578 ( -5.376 0.000 2.653) 5.995 8.735 ( -8.041 0.000 -1.581) 8.195 8.856 ( 11.770 0.000 8.086) 14.280 8.881 ( 15.350 0.000 -4.740) 16.065 10.389 ( 0.945 0.000 11.507) 11.546 10.499 ( -8.166 0.000 -10.735) 13.488 11.334 ( 0.995 0.000 8.754) 8.811 11.499 ( -0.032 0.000 -10.217) 10.217 12.713 ( -0.446 0.000 2.165) 2.210 12.715 ( 3.875 0.000 6.735) 7.770 14.313 ( -1.664 0.000 -4.400) 4.704 14.360 ( 7.058 0.000 -1.038) 7.134 15.555 ( 4.566 0.000 9.402) 10.452 15.622 ( -8.252 0.000 -11.153) 13.873 15.678 ( -7.888 0.000 9.754) 12.544 15.996 ( 5.881 0.000 -10.801) 12.299 17.299 ( -1.554 0.000 6.496) 6.679 17.430 ( 1.757 0.000 -4.683) 5.002 ======================= Grid point 257 (131/160) ======================= q-point: (-0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 1.387 0.000 19.967) 20.015 2.038 ( 2.384 0.000 -10.644) 10.908 2.283 ( 0.965 0.000 -4.251) 4.359 2.312 ( -8.347 0.000 6.158) 10.373 2.729 ( 2.066 0.000 2.199) 3.017 2.819 ( 14.190 0.000 -5.708) 15.295 3.102 ( 4.296 0.000 5.048) 6.628 3.370 ( 1.738 0.000 3.346) 3.771 3.449 ( 1.275 0.000 7.618) 7.724 3.660 ( 5.960 0.000 0.050) 5.960 3.743 ( 0.426 0.000 -1.460) 1.521 4.150 ( 5.661 0.000 1.185) 5.784 4.237 ( 3.815 0.000 2.375) 4.494 4.450 ( 0.463 0.000 -6.646) 6.662 4.557 ( 5.050 0.000 3.244) 6.002 4.721 ( -1.724 0.000 -2.136) 2.746 4.811 ( -3.961 0.000 11.098) 11.783 4.897 ( -2.744 0.000 -3.449) 4.408 5.094 ( -11.293 0.000 9.142) 14.529 5.234 ( -10.146 0.000 13.158) 16.615 5.640 ( -5.525 0.000 9.967) 11.396 5.677 ( 3.249 0.000 -3.928) 5.097 5.908 ( -10.064 0.000 -31.601) 33.165 6.062 ( 8.029 0.000 22.755) 24.129 6.142 ( 8.322 0.000 -17.684) 19.544 6.195 ( -5.442 0.000 15.679) 16.596 6.313 ( 4.861 0.000 -15.419) 16.167 6.582 ( -2.995 0.000 -1.683) 3.436 6.717 ( 3.865 0.000 8.844) 9.651 6.820 ( -2.497 0.000 -8.211) 8.583 6.973 ( 2.507 0.000 -0.025) 2.507 7.038 ( 8.613 0.000 -10.783) 13.801 7.296 ( -8.102 0.000 2.645) 8.523 7.505 ( -6.210 0.000 -3.086) 6.934 7.581 ( -4.527 0.000 -3.318) 5.613 7.716 ( -5.328 0.000 3.551) 6.403 7.812 ( 4.562 0.000 -8.560) 9.700 7.869 ( -0.374 0.000 2.748) 2.774 7.912 ( -3.082 0.000 3.803) 4.895 8.016 ( 2.285 0.000 -1.684) 2.838 8.181 ( -7.878 0.000 -1.031) 7.945 8.473 ( -1.572 0.000 -3.172) 3.541 8.553 ( -0.420 0.000 3.093) 3.121 8.562 ( -8.550 0.000 -4.127) 9.494 9.106 ( 13.258 0.000 10.006) 16.610 9.225 ( 19.459 0.000 0.132) 19.460 10.295 ( -10.885 0.000 -10.901) 15.405 10.352 ( -6.787 0.000 10.163) 12.221 11.345 ( -1.288 0.000 7.603) 7.711 11.484 ( 0.369 0.000 -10.612) 10.618 12.787 ( 7.607 0.000 -0.620) 7.632 12.811 ( 4.233 0.000 9.813) 10.687 14.323 ( 3.883 0.000 -5.090) 6.402 14.518 ( 10.119 0.000 -0.755) 10.147 15.408 ( -13.059 0.000 -9.389) 16.084 15.503 ( -10.619 0.000 6.737) 12.576 15.659 ( 3.243 0.000 11.182) 11.643 16.054 ( 2.464 0.000 -11.478) 11.740 17.302 ( 0.646 0.000 7.126) 7.156 17.458 ( 1.820 0.000 -4.008) 4.401 ======================= Grid point 258 (132/160) ======================= q-point: (-0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 4.189 0.000 22.533) 22.919 2.131 ( -0.241 0.000 4.365) 4.372 2.176 ( 3.017 0.000 -8.241) 8.776 2.264 ( -0.785 0.000 -7.344) 7.386 2.762 ( 1.317 0.000 3.435) 3.679 2.975 ( 0.089 0.000 -2.744) 2.745 3.263 ( 15.275 0.000 -4.490) 15.922 3.417 ( -4.050 0.000 12.099) 12.758 3.530 ( 11.996 0.000 8.652) 14.790 3.744 ( 0.957 0.000 1.198) 1.534 3.753 ( 0.787 0.000 -1.815) 1.978 4.090 ( -7.840 0.000 -0.861) 7.887 4.287 ( 1.702 0.000 4.150) 4.485 4.428 ( -1.538 0.000 -5.088) 5.316 4.664 ( -2.948 0.000 -3.589) 4.644 4.774 ( 0.434 0.000 -1.710) 1.764 4.812 ( -6.167 0.000 20.942) 21.831 4.880 ( 1.629 0.000 0.162) 1.637 4.987 ( 18.483 0.000 1.329) 18.531 5.116 ( -4.345 0.000 10.935) 11.767 5.593 ( -1.490 0.000 9.914) 10.025 5.670 ( -8.962 0.000 -30.741) 32.021 5.688 ( -2.644 0.000 -2.043) 3.342 6.102 ( -5.015 0.000 13.927) 14.802 6.203 ( 1.799 0.000 17.737) 17.828 6.205 ( -15.125 0.000 -14.258) 20.786 6.253 ( 2.023 0.000 -12.539) 12.701 6.459 ( 1.785 0.000 -6.809) 7.040 6.792 ( 2.437 0.000 9.874) 10.170 6.890 ( 8.986 0.000 -17.351) 19.540 7.014 ( -4.498 0.000 5.779) 7.323 7.177 ( 4.559 0.000 -4.239) 6.225 7.207 ( 4.617 0.000 0.079) 4.618 7.363 ( -2.528 0.000 -8.785) 9.141 7.579 ( -2.226 0.000 3.143) 3.851 7.586 ( -8.926 0.000 3.308) 9.519 7.791 ( -1.460 0.000 -4.871) 5.085 7.856 ( -1.304 0.000 2.990) 3.262 7.920 ( 2.587 0.000 -2.540) 3.626 8.020 ( -1.929 0.000 -1.032) 2.187 8.114 ( 0.820 0.000 -1.449) 1.665 8.355 ( -10.501 0.000 -3.498) 11.068 8.495 ( 1.681 0.000 -1.850) 2.500 8.543 ( -1.301 0.000 2.060) 2.437 9.368 ( 12.948 0.000 10.591) 16.728 9.562 ( 15.018 0.000 4.475) 15.670 10.098 ( -6.896 0.000 -13.433) 15.099 10.181 ( -12.938 0.000 8.049) 15.237 11.322 ( -2.333 0.000 8.008) 8.341 11.477 ( 0.780 0.000 -10.250) 10.279 12.878 ( 0.543 0.000 11.794) 11.806 12.956 ( 10.223 0.000 -7.030) 12.407 14.442 ( 9.483 0.000 -3.609) 10.147 14.715 ( 9.397 0.000 -1.873) 9.582 15.127 ( -13.796 0.000 -4.230) 14.430 15.297 ( -12.134 0.000 4.378) 12.900 15.733 ( 2.616 0.000 11.282) 11.581 16.055 ( 0.034 0.000 -11.794) 11.794 17.340 ( 1.920 0.000 6.583) 6.857 17.478 ( 0.876 0.000 -3.802) 3.902 ======================= Grid point 259 (133/160) ======================= q-point: ( 0.00 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -8.652 4.220 17.313) 19.809 2.118 ( 2.759 3.314 15.800) 16.377 2.305 ( 2.977 7.687 -8.594) 11.908 2.497 ( 4.440 8.767 -16.421) 19.137 2.882 ( 0.518 3.727 5.201) 6.420 2.994 ( -0.365 4.493 -5.212) 6.891 3.431 ( -6.414 8.109 10.123) 14.469 3.569 ( 10.884 5.829 -3.797) 12.917 3.709 ( -3.530 2.112 1.958) 4.555 3.768 ( 6.916 -0.262 -3.390) 7.706 3.886 ( 6.045 7.748 3.825) 10.545 3.952 ( -7.936 2.658 -1.932) 8.590 4.326 ( 1.754 1.081 3.359) 3.940 4.390 ( -3.807 1.760 -2.704) 4.991 4.602 ( -5.704 1.107 11.829) 13.179 4.680 ( -3.769 3.183 1.170) 5.070 4.899 ( 5.624 2.649 8.927) 10.878 4.922 ( 4.410 -2.189 2.472) 5.509 5.074 ( -0.555 1.699 2.780) 3.305 5.368 ( -7.166 -3.062 -9.885) 12.587 5.485 ( 7.395 0.506 5.809) 9.417 5.598 ( 0.516 -1.750 10.977) 11.127 5.666 ( 0.346 3.629 -11.182) 11.762 5.818 ( -12.816 0.466 -9.237) 15.805 6.014 ( -5.050 -1.648 10.899) 12.125 6.276 ( 6.238 0.308 4.122) 7.483 6.280 ( 4.309 -4.146 -12.145) 13.537 6.470 ( 5.856 -4.483 -11.903) 14.003 6.785 ( -10.036 2.462 6.768) 12.353 6.918 ( 4.974 -6.457 1.995) 8.391 7.028 ( 1.447 -1.247 -7.441) 7.682 7.099 ( 0.357 -1.766 -7.870) 8.074 7.302 ( -2.288 -3.534 1.572) 4.493 7.333 ( 2.616 -4.552 -1.342) 5.419 7.498 ( 2.735 3.804 -0.046) 4.686 7.508 ( -4.549 3.853 -1.195) 6.080 7.780 ( -1.832 -5.279 4.904) 7.435 7.846 ( 3.570 -3.619 3.795) 6.344 7.869 ( 2.473 -5.419 -3.089) 6.710 7.949 ( -3.178 0.799 -6.170) 6.986 8.221 ( 3.549 6.330 3.964) 8.269 8.292 ( -6.254 5.562 -3.007) 8.893 8.506 ( -2.241 0.889 1.033) 2.623 8.547 ( 3.220 0.483 -2.773) 4.277 9.494 ( 8.269 -7.851 10.108) 15.238 9.628 ( -8.026 -6.885 -3.357) 11.095 9.941 ( -2.886 3.098 9.796) 10.672 10.137 ( 3.236 2.130 -10.200) 10.911 11.310 ( -1.535 1.374 8.461) 8.708 11.485 ( 1.255 0.472 -9.059) 9.157 12.755 ( -3.081 -9.690 10.271) 14.453 12.967 ( 5.246 -11.524 -10.799) 16.641 14.675 ( -7.188 4.070 3.373) 8.923 14.750 ( 3.000 8.328 -4.135) 9.770 15.073 ( 0.080 -1.367 2.895) 3.202 15.131 ( 2.022 1.002 -2.903) 3.677 15.820 ( 1.739 2.458 9.311) 9.786 16.018 ( -1.395 -0.400 -10.643) 10.741 17.376 ( 1.147 -0.456 5.230) 5.373 17.466 ( -0.437 -0.915 -3.947) 4.075 ======================= Grid point 260 (134/160) ======================= q-point: ( 0.14 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -6.937 5.648 15.003) 17.468 2.121 ( -3.095 9.126 15.664) 18.391 2.352 ( 2.068 3.732 -7.828) 8.915 2.483 ( -2.033 3.700 -18.146) 18.630 2.887 ( -0.684 5.520 1.926) 5.886 3.038 ( 3.846 2.187 -4.530) 6.332 3.250 ( -13.985 9.450 5.007) 17.606 3.625 ( -4.705 -1.643 -4.844) 6.950 3.702 ( 0.898 5.767 -4.892) 7.616 3.751 ( -5.144 1.474 3.055) 6.161 3.850 ( 1.668 7.292 -3.842) 8.409 4.067 ( 6.355 0.461 1.519) 6.551 4.327 ( -0.659 1.476 2.290) 2.803 4.357 ( 0.357 3.694 1.120) 3.877 4.548 ( -0.698 3.990 12.378) 13.024 4.678 ( -1.147 0.920 6.759) 6.917 4.966 ( -6.963 -1.393 3.983) 8.142 4.992 ( 1.373 3.206 -5.881) 6.838 5.103 ( -4.347 2.484 14.655) 15.487 5.149 ( 9.078 -0.076 -2.059) 9.308 5.473 ( 1.472 -2.711 -13.316) 13.669 5.646 ( -2.146 -0.081 3.017) 3.703 5.670 ( -0.612 1.633 0.228) 1.759 5.828 ( 4.140 1.406 12.474) 13.218 5.962 ( -0.906 -1.681 7.422) 7.664 6.343 ( 3.837 -6.557 -8.655) 11.517 6.489 ( 11.120 0.239 -4.266) 11.913 6.527 ( 4.299 -1.866 -7.293) 8.669 6.651 ( -1.492 1.440 -3.935) 4.448 6.914 ( -4.423 -6.908 -5.836) 10.067 7.076 ( 4.772 -3.929 5.596) 8.338 7.089 ( -6.249 -2.719 -3.566) 7.692 7.221 ( -4.012 2.065 -1.188) 4.666 7.294 ( -1.779 6.857 -4.412) 8.346 7.479 ( 5.705 -7.536 0.689) 9.477 7.653 ( 4.344 0.244 1.539) 4.615 7.734 ( -3.691 -0.014 0.337) 3.707 7.826 ( -1.805 -5.717 -1.993) 6.318 7.884 ( 1.834 -4.759 0.821) 5.166 7.998 ( 6.789 0.555 -2.115) 7.133 8.186 ( -2.879 4.580 -0.048) 5.410 8.355 ( 5.363 5.696 5.781) 9.728 8.468 ( -0.240 0.505 -0.582) 0.807 8.595 ( 2.220 0.486 -3.075) 3.824 9.338 ( -14.783 -9.062 0.238) 17.340 9.715 ( -12.996 6.302 -0.216) 14.445 9.782 ( 9.772 -5.698 8.741) 14.296 10.322 ( 11.743 -1.001 -4.619) 12.659 11.300 ( -1.148 1.750 8.763) 9.009 11.498 ( 1.697 0.537 -8.868) 9.045 12.691 ( -5.055 -8.747 8.431) 13.159 12.990 ( -1.243 -11.706 -11.461) 16.430 14.432 ( -12.210 5.732 5.033) 14.397 14.763 ( -6.891 6.319 -1.451) 9.462 15.095 ( 8.795 2.245 1.681) 9.231 15.355 ( 14.208 -2.400 -2.708) 14.662 15.854 ( 0.204 2.176 8.799) 9.066 15.962 ( -2.595 -0.284 -10.934) 11.241 17.390 ( -0.587 -0.490 4.431) 4.497 17.443 ( -1.100 -0.832 -4.584) 4.787 ======================= Grid point 261 (135/160) ======================= q-point: ( 0.29 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 3.503 4.540 9.348) 10.966 2.095 ( -1.222 4.235 7.650) 8.829 2.271 ( -8.307 -0.148 -5.942) 10.214 2.487 ( 4.489 6.539 -6.846) 10.477 2.826 ( -9.473 3.593 -2.845) 10.524 2.906 ( -12.377 14.252 3.051) 19.121 3.165 ( 4.084 -2.288 -4.775) 6.687 3.454 ( -8.318 -3.645 -6.938) 11.429 3.668 ( -8.826 7.991 4.521) 12.735 3.709 ( 1.085 3.139 -5.189) 6.161 3.858 ( 1.283 12.374 -2.459) 12.681 4.127 ( -7.342 -4.972 -1.115) 8.937 4.246 ( -3.604 0.281 1.296) 3.840 4.336 ( -1.185 2.452 4.399) 5.174 4.615 ( 3.682 5.839 12.154) 13.977 4.661 ( 2.743 4.873 0.284) 5.599 4.893 ( 2.518 -0.649 -3.810) 4.613 4.998 ( -0.021 4.457 -5.038) 6.727 5.219 ( 7.524 0.457 27.441) 28.457 5.313 ( 8.033 -1.135 -5.780) 9.961 5.499 ( -1.531 -2.821 7.484) 8.143 5.639 ( 3.906 2.222 -13.149) 13.896 5.736 ( 8.396 1.483 1.965) 8.749 5.796 ( -5.935 -1.820 15.141) 16.365 6.002 ( 0.736 3.447 9.446) 10.082 6.349 ( -2.728 -5.961 2.561) 7.038 6.494 ( 2.721 -1.787 -12.229) 12.655 6.612 ( -2.769 1.815 -18.398) 18.693 6.791 ( 8.922 -3.457 -1.887) 9.752 6.818 ( -2.801 -4.433 -5.455) 7.567 6.903 ( -10.880 0.673 0.794) 10.929 7.060 ( -3.869 4.535 -3.298) 6.813 7.230 ( 6.630 -8.200 7.293) 12.821 7.394 ( 6.777 2.369 -4.748) 8.607 7.563 ( 3.824 -6.070 2.238) 7.515 7.627 ( -1.319 0.519 -3.268) 3.562 7.725 ( -0.446 -3.492 1.466) 3.813 7.837 ( 1.301 -6.127 -1.696) 6.489 7.929 ( 2.791 -2.430 0.999) 3.833 8.134 ( -2.921 4.580 -0.306) 5.441 8.170 ( 11.775 -0.718 -2.419) 12.042 8.376 ( -1.369 -0.761 4.268) 4.546 8.567 ( 8.111 5.548 3.709) 10.504 8.616 ( 0.609 -0.062 -3.622) 3.673 9.048 ( -16.233 -7.048 0.417) 17.702 9.414 ( -16.598 8.468 -2.585) 18.811 10.023 ( 12.139 -5.594 9.065) 16.150 10.493 ( 6.876 -3.380 -5.261) 9.295 11.296 ( -0.762 1.840 9.357) 9.567 11.515 ( 1.584 0.533 -8.958) 9.113 12.614 ( -4.125 -7.811 6.919) 11.221 12.889 ( -7.039 -8.886 -8.200) 13.991 14.289 ( -4.079 4.811 5.329) 8.257 14.605 ( -8.026 5.934 -4.106) 10.793 15.287 ( 9.696 2.512 5.582) 11.466 15.599 ( 12.145 -3.005 -3.247) 12.926 15.852 ( -2.024 1.715 5.661) 6.252 15.889 ( -3.177 -0.458 -9.916) 10.423 17.371 ( -2.146 -0.266 4.311) 4.823 17.417 ( -0.641 -0.708 -5.005) 5.095 ======================= Grid point 262 (136/160) ======================= q-point: ( 0.43 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 3.286 -0.859 1.165) 3.591 2.077 ( -9.823 -1.985 -1.184) 10.092 2.165 ( 9.639 1.697 7.029) 12.050 2.534 ( -9.993 13.877 -2.391) 17.267 2.609 ( 3.692 1.677 -0.974) 4.170 2.769 ( -7.509 4.648 0.862) 8.873 3.222 ( 3.328 4.189 -2.025) 5.720 3.373 ( -3.939 0.772 -3.545) 5.356 3.492 ( -3.418 5.251 0.101) 6.267 3.672 ( -8.036 2.409 -6.885) 10.853 3.876 ( 1.185 10.489 -1.326) 10.638 3.893 ( -5.880 4.828 1.621) 7.779 4.295 ( -0.780 -0.110 4.938) 5.000 4.344 ( 4.213 -0.999 -3.353) 5.477 4.652 ( -1.260 2.083 11.670) 11.922 4.753 ( 4.926 7.194 -1.108) 8.789 4.939 ( 2.004 0.653 -6.592) 6.921 4.973 ( -1.877 2.113 -3.695) 4.652 5.392 ( -5.873 -2.156 12.921) 14.356 5.410 ( 4.945 -1.687 10.696) 11.904 5.467 ( 5.501 1.061 17.704) 18.570 5.687 ( -4.217 -0.838 18.429) 18.924 5.775 ( 11.174 0.825 -15.598) 19.205 5.968 ( 12.518 2.194 -3.913) 13.297 5.984 ( -4.311 5.605 9.131) 11.549 6.290 ( -3.335 -4.564 -6.952) 8.960 6.463 ( -8.622 3.513 -13.790) 16.639 6.530 ( 2.502 -2.698 -10.045) 10.697 6.658 ( -8.753 -1.273 5.708) 10.527 6.780 ( -1.096 -3.916 -7.944) 8.924 6.944 ( 5.183 -1.523 -2.830) 6.099 7.029 ( -0.822 2.366 -5.569) 6.106 7.345 ( 3.549 -8.180 8.709) 12.465 7.480 ( 3.221 -1.308 -4.212) 5.462 7.622 ( 2.069 -3.159 0.989) 3.903 7.683 ( 4.203 -3.258 -5.026) 7.317 7.693 ( -0.510 -4.861 2.829) 5.647 7.823 ( -2.959 -5.679 -2.390) 6.836 7.983 ( 2.473 0.011 1.641) 2.968 8.075 ( -2.852 3.419 -1.507) 4.701 8.370 ( 2.757 -2.250 4.521) 5.754 8.407 ( 9.423 -1.210 -1.431) 9.607 8.613 ( 0.539 -1.622 -3.705) 4.080 8.692 ( -4.261 -4.053 3.101) 6.649 8.803 ( -0.308 6.664 3.257) 7.424 9.116 ( -14.204 9.068 -4.825) 17.529 10.238 ( 8.582 -4.305 10.489) 14.220 10.540 ( -0.857 -5.343 -8.206) 9.830 11.308 ( 0.319 1.323 10.032) 10.124 11.521 ( 0.663 0.610 -9.561) 9.604 12.575 ( -1.186 -7.555 7.367) 10.619 12.747 ( -5.808 -5.480 -4.629) 9.230 14.282 ( 1.832 3.161 4.769) 6.008 14.475 ( -4.750 6.456 -6.531) 10.339 15.454 ( 7.020 1.913 8.028) 10.835 15.745 ( 0.174 -0.733 2.084) 2.216 15.779 ( -5.143 -0.093 -4.127) 6.595 15.865 ( 4.473 -1.341 -7.981) 9.247 17.333 ( -2.579 0.071 4.949) 5.581 17.408 ( 0.638 -0.654 -4.879) 4.964 ======================= Grid point 263 (137/160) ======================= q-point: (-0.43 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -8.874 -3.247 11.550) 14.923 2.074 ( 3.242 -0.485 -3.343) 4.682 2.323 ( -1.583 6.088 -1.593) 6.489 2.473 ( 11.298 6.873 1.173) 13.277 2.576 ( -7.748 -1.439 0.659) 7.908 2.792 ( 10.216 5.798 0.217) 11.748 3.193 ( -7.102 13.101 0.703) 14.919 3.322 ( -0.318 -1.155 0.807) 1.445 3.532 ( 3.541 2.109 -1.574) 4.412 3.577 ( 3.876 5.797 0.905) 7.032 3.869 ( -0.119 9.258 -0.839) 9.296 3.943 ( 8.178 4.978 -3.261) 10.114 4.250 ( -3.632 -0.002 4.125) 5.496 4.419 ( 3.536 -0.624 -5.935) 6.936 4.620 ( -3.655 2.146 10.674) 11.485 4.811 ( 1.095 6.610 -0.535) 6.721 4.898 ( -4.159 2.219 -1.624) 4.986 4.957 ( -0.487 1.640 -2.895) 3.362 5.241 ( -9.063 -1.674 12.417) 15.464 5.412 ( -10.917 -0.916 17.299) 20.477 5.546 ( 6.002 -2.740 0.885) 6.657 5.816 ( 0.999 5.527 15.283) 16.283 5.863 ( 2.349 1.474 12.674) 12.974 5.976 ( 8.677 -1.084 -10.372) 13.566 6.112 ( 1.720 -2.981 -8.768) 9.420 6.157 ( -6.890 -0.021 -22.922) 23.935 6.355 ( -1.334 3.525 2.710) 4.642 6.558 ( 2.100 -1.065 -10.071) 10.343 6.598 ( 1.847 -2.173 7.518) 8.041 6.801 ( 3.552 -4.543 -4.957) 7.604 6.989 ( -1.154 0.888 -9.215) 9.329 6.999 ( 1.245 1.365 -1.329) 2.276 7.381 ( -1.146 -2.430 6.032) 6.603 7.500 ( -1.156 -7.987 -5.702) 9.881 7.601 ( -4.238 -5.868 -0.417) 7.251 7.645 ( -1.944 -4.528 0.609) 4.965 7.749 ( -1.591 -4.441 -1.461) 4.938 7.796 ( 3.444 -3.728 -0.920) 5.158 7.995 ( -2.961 3.108 1.604) 4.583 8.057 ( 2.668 1.790 -0.874) 3.329 8.336 ( -8.476 -1.575 3.275) 9.222 8.485 ( -1.258 -1.822 -4.869) 5.349 8.545 ( -2.598 -2.822 2.967) 4.850 8.709 ( 7.938 -5.110 0.968) 9.491 8.874 ( -5.461 8.792 -1.473) 10.454 9.038 ( 14.264 9.295 1.166) 17.065 10.332 ( -2.648 -4.959 8.252) 9.985 10.460 ( -3.744 -3.868 -7.534) 9.260 11.334 ( 0.416 0.263 9.273) 9.287 11.508 ( -0.150 0.615 -10.078) 10.098 12.591 ( 1.413 -8.010 8.659) 11.880 12.697 ( 1.353 -4.472 -2.453) 5.277 14.345 ( 3.019 3.604 2.980) 5.566 14.429 ( 2.326 5.698 -6.441) 8.908 15.566 ( 1.846 0.378 7.582) 7.813 15.646 ( -4.996 1.692 -8.506) 10.009 15.669 ( -8.117 0.049 7.796) 11.255 15.970 ( 6.082 -2.257 -9.925) 11.857 17.302 ( -1.471 0.283 5.955) 6.140 17.423 ( 1.684 -0.691 -4.265) 4.637 ======================= Grid point 264 (138/160) ======================= q-point: (-0.29 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 2.249 -2.697 16.515) 16.885 2.115 ( 3.873 4.548 -6.013) 8.476 2.287 ( -6.034 0.801 7.186) 9.417 2.423 ( -1.107 8.605 -5.630) 10.343 2.768 ( 12.091 2.582 2.628) 12.639 2.965 ( 7.560 11.564 -2.156) 13.983 3.139 ( 1.638 5.010 -2.100) 5.674 3.314 ( 4.458 -2.965 6.364) 8.317 3.590 ( -1.841 5.717 6.729) 9.020 3.711 ( 8.924 10.596 1.441) 13.928 3.846 ( -1.789 7.893 -2.415) 8.446 4.124 ( 3.432 -2.711 -0.398) 4.391 4.233 ( 5.085 0.717 2.048) 5.528 4.445 ( 1.065 0.226 -5.488) 5.595 4.603 ( 3.469 4.187 3.869) 6.674 4.791 ( -3.672 4.992 0.822) 6.251 4.818 ( -2.613 0.397 1.489) 3.033 4.922 ( -3.325 4.694 7.395) 9.369 5.112 ( -7.372 0.145 3.318) 8.085 5.228 ( -9.947 0.347 12.472) 15.957 5.604 ( -2.482 -2.684 8.705) 9.441 5.712 ( -1.829 1.874 -3.715) 4.545 5.908 ( -8.800 -0.056 -24.932) 26.440 6.070 ( 2.763 -1.858 8.568) 9.192 6.090 ( 4.903 -1.280 6.658) 8.367 6.157 ( 4.099 -3.386 -7.117) 8.884 6.332 ( -1.714 1.154 -5.762) 6.122 6.576 ( -2.793 -1.323 -1.176) 3.307 6.664 ( 1.869 -4.289 7.216) 8.600 6.819 ( 2.291 0.239 -7.630) 7.970 6.996 ( 1.225 1.972 -4.050) 4.668 7.063 ( 9.319 1.909 -6.207) 11.359 7.312 ( -7.033 0.922 1.769) 7.311 7.389 ( -7.618 -8.674 -4.804) 12.504 7.537 ( -2.743 -5.670 0.577) 6.325 7.638 ( 1.997 -4.770 -1.556) 5.400 7.749 ( 0.900 -4.009 -0.801) 4.186 7.817 ( -0.901 -4.414 0.248) 4.512 7.917 ( -5.328 2.271 2.608) 6.352 8.117 ( 2.491 3.117 0.463) 4.017 8.154 ( -8.532 -2.097 -1.200) 8.868 8.452 ( -0.092 -1.543 -3.540) 3.863 8.546 ( -0.082 -0.645 3.464) 3.525 8.656 ( -7.972 7.000 -4.531) 11.536 9.001 ( 12.915 -5.079 5.014) 14.756 9.352 ( 17.626 7.948 3.238) 19.605 10.162 ( -12.631 -8.273 -2.937) 15.382 10.402 ( -4.591 0.702 1.761) 4.967 11.344 ( -0.997 0.080 8.125) 8.187 11.489 ( 0.084 0.378 -9.824) 9.832 12.664 ( 4.817 -9.204 7.308) 12.701 12.761 ( 4.719 -6.059 -0.425) 7.692 14.401 ( 4.792 6.757 -4.602) 9.476 14.546 ( 9.208 2.610 0.702) 9.596 15.416 ( -12.554 0.526 -6.652) 14.217 15.503 ( -10.568 -0.305 5.041) 11.713 15.687 ( 3.665 2.750 8.110) 9.315 16.036 ( 2.837 -1.600 -10.167) 10.676 17.303 ( 0.529 0.185 6.575) 6.599 17.450 ( 1.731 -0.791 -3.690) 4.152 ======================= Grid point 265 (139/160) ======================= q-point: (-0.14 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 9.193 -1.790 15.855) 18.414 2.137 ( -8.534 2.399 13.865) 16.457 2.230 ( 6.953 6.397 -6.989) 11.753 2.440 ( 2.899 11.922 -11.262) 16.654 2.871 ( 0.441 6.683 4.450) 8.041 3.030 ( -0.727 3.768 -4.292) 5.757 3.304 ( 15.514 5.571 -1.145) 16.524 3.477 ( 3.744 1.652 8.848) 9.749 3.583 ( 5.250 8.693 7.335) 12.528 3.762 ( -1.817 2.787 2.547) 4.189 3.841 ( 0.399 7.404 -2.811) 7.930 4.096 ( -4.660 -0.451 -1.021) 4.792 4.278 ( 1.013 0.445 4.340) 4.479 4.448 ( -1.195 2.755 -4.858) 5.711 4.670 ( -4.178 -0.639 0.628) 4.273 4.770 ( 3.030 1.840 1.893) 4.018 4.858 ( -4.109 4.841 15.334) 16.597 4.909 ( -3.821 0.793 1.595) 4.216 5.007 ( 13.412 1.459 -0.783) 13.514 5.140 ( -0.060 2.295 7.423) 7.770 5.544 ( -4.159 -3.881 5.150) 7.673 5.695 ( -0.932 1.120 -16.479) 16.543 5.712 ( -7.836 2.394 -7.358) 11.012 6.041 ( -4.766 -5.535 6.967) 10.094 6.184 ( -9.644 -3.961 -6.821) 12.459 6.194 ( 3.399 -0.615 8.295) 8.985 6.244 ( -1.374 0.791 -9.533) 9.663 6.429 ( -3.404 -1.711 0.324) 3.823 6.759 ( 6.976 -4.478 1.313) 8.393 6.916 ( 6.000 2.204 -11.741) 13.368 7.000 ( -3.233 -0.938 3.586) 4.919 7.187 ( -4.156 -2.387 -4.339) 6.465 7.204 ( 2.211 0.263 0.242) 2.240 7.307 ( 5.440 -0.469 -4.921) 7.351 7.469 ( -5.233 -7.497 1.133) 9.213 7.702 ( -8.160 3.624 -1.555) 9.062 7.722 ( 6.795 -0.240 0.878) 6.855 7.797 ( -0.446 -6.492 2.610) 7.011 7.850 ( -0.777 -4.925 0.647) 5.028 8.027 ( -4.330 -1.373 -3.868) 5.966 8.163 ( 1.895 3.261 2.000) 4.269 8.467 ( -8.622 7.202 -4.877) 12.247 8.482 ( 2.029 -1.072 -1.546) 2.767 8.547 ( -1.683 2.018 1.073) 2.838 9.256 ( 13.071 -7.271 7.847) 16.890 9.662 ( 12.813 6.761 4.745) 15.245 9.927 ( -9.763 -10.547 -3.994) 14.916 10.272 ( -9.168 3.217 -0.744) 9.745 11.328 ( -1.856 0.724 8.063) 8.305 11.481 ( 0.755 0.325 -9.360) 9.396 12.754 ( 1.860 -10.479 10.132) 14.694 12.860 ( 6.790 -8.553 -6.150) 12.533 14.530 ( 9.709 7.321 -4.559) 12.986 14.735 ( 9.566 1.807 1.244) 9.814 15.145 ( -14.060 1.572 -3.451) 14.562 15.302 ( -11.456 0.377 2.157) 11.663 15.762 ( 2.835 2.588 9.194) 9.963 16.046 ( 0.290 -0.865 -10.384) 10.424 17.338 ( 1.731 -0.161 6.209) 6.448 17.469 ( 0.807 -0.889 -3.556) 3.754 ======================= Grid point 266 (140/160) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -5.523 10.116 11.630) 16.373 2.186 ( 7.562 5.173 11.536) 14.732 2.549 ( 4.438 11.930 -3.416) 13.179 2.689 ( -3.909 9.457 -13.496) 16.937 2.936 ( 0.689 0.158 4.196) 4.255 2.997 ( -0.587 -2.405 -0.897) 2.633 3.622 ( 3.549 5.486 3.766) 7.541 3.686 ( -1.599 -1.792 -3.229) 4.024 3.810 ( 5.775 11.469 2.527) 13.087 3.868 ( -6.194 11.175 -2.137) 12.954 4.022 ( -6.796 5.728 4.607) 10.011 4.081 ( 9.229 9.614 -1.281) 13.388 4.405 ( 3.514 7.405 5.714) 9.991 4.503 ( -4.814 8.757 -4.194) 10.838 4.638 ( -1.775 2.899 12.969) 13.407 4.759 ( -6.880 3.916 -1.850) 8.130 4.885 ( 2.793 -0.570 4.648) 5.453 4.972 ( 4.292 4.014 8.161) 10.057 5.072 ( 1.524 -2.154 -3.699) 4.544 5.302 ( -4.541 -3.209 -7.438) 9.286 5.497 ( 10.690 -0.624 11.918) 16.022 5.559 ( -13.349 -0.507 6.202) 14.728 5.723 ( 1.894 0.692 -6.445) 6.753 5.794 ( -2.893 -3.493 -4.794) 6.599 5.986 ( -3.548 -1.421 -1.336) 4.049 6.148 ( -0.599 -5.560 -8.822) 10.445 6.308 ( 6.190 2.352 2.943) 7.246 6.401 ( 5.430 -2.270 -7.571) 9.589 6.746 ( -0.596 -8.378 1.774) 8.584 6.800 ( -3.789 -2.492 -2.163) 5.025 6.910 ( -3.598 -7.626 1.746) 8.611 7.060 ( 3.922 -3.489 -9.047) 10.460 7.295 ( 1.534 2.676 0.662) 3.155 7.315 ( -0.182 3.368 -1.535) 3.706 7.518 ( 6.998 -3.202 1.322) 7.808 7.543 ( -5.171 -7.015 -0.711) 8.744 7.687 ( -5.320 2.628 1.849) 6.216 7.721 ( 3.319 -3.104 -1.655) 4.836 7.809 ( 0.410 -3.104 5.236) 6.101 7.930 ( 0.599 -2.289 -5.780) 6.246 8.299 ( -1.054 -0.655 3.892) 4.086 8.361 ( 0.489 2.131 -1.971) 2.944 8.573 ( 2.356 1.838 -0.640) 3.056 8.585 ( -3.284 4.532 -1.468) 5.786 9.360 ( 8.868 -3.781 6.973) 11.898 9.465 ( -10.439 -6.874 -3.386) 12.950 10.000 ( 3.029 1.944 7.782) 8.574 10.151 ( -1.985 -0.991 -7.400) 7.725 11.352 ( -0.748 2.634 7.144) 7.651 11.494 ( 1.231 0.334 -6.867) 6.985 12.518 ( -1.805 -11.429 7.950) 14.039 12.689 ( 3.015 -13.714 -8.829) 16.586 14.776 ( -7.207 5.045 7.514) 11.570 14.923 ( 6.881 6.508 -5.655) 11.030 15.054 ( 1.132 0.341 2.772) 3.014 15.157 ( -2.100 1.384 -5.874) 6.390 15.880 ( 1.543 2.914 5.316) 6.256 16.005 ( -1.214 -0.758 -7.262) 7.402 17.366 ( 0.897 -0.422 4.427) 4.537 17.439 ( -0.407 -1.577 -3.061) 3.467 ======================= Grid point 267 (141/160) ======================= q-point: ( 0.14 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -6.355 10.796 8.164) 14.953 2.291 ( -0.865 6.733 10.057) 12.133 2.497 ( -8.002 9.108 -11.046) 16.401 2.611 ( 0.019 8.529 -5.532) 10.166 2.954 ( -0.271 0.329 3.347) 3.374 3.009 ( 1.191 -3.898 -3.275) 5.228 3.525 ( -10.395 -2.608 -3.856) 11.390 3.591 ( -14.307 13.323 1.052) 19.578 3.787 ( 4.394 0.749 1.902) 4.846 3.891 ( -2.856 11.572 1.417) 12.003 3.955 ( 2.510 4.786 1.288) 5.555 4.195 ( 2.188 10.424 -2.545) 10.951 4.394 ( -2.242 6.495 0.803) 6.918 4.494 ( -0.862 7.855 -0.069) 7.903 4.665 ( 0.697 4.164 15.757) 16.313 4.722 ( 3.631 6.392 1.055) 7.427 4.932 ( -2.441 -1.398 4.175) 5.034 5.053 ( 1.408 1.205 -8.086) 8.295 5.117 ( 7.267 0.745 -0.331) 7.312 5.202 ( -1.203 3.607 15.059) 15.532 5.420 ( -0.382 -2.768 -1.271) 3.069 5.595 ( 0.586 -3.079 -1.418) 3.440 5.703 ( -0.232 0.876 0.731) 1.164 5.827 ( -2.415 -1.586 13.922) 14.219 5.989 ( 6.760 2.831 -10.880) 13.118 6.168 ( 2.861 -7.917 -2.657) 8.827 6.488 ( 10.255 -2.265 -6.919) 12.576 6.491 ( 4.307 -0.425 -6.841) 8.095 6.625 ( -3.432 -4.872 -0.910) 6.029 6.774 ( -2.855 -4.352 1.400) 5.390 6.934 ( 3.967 -8.025 0.974) 9.005 7.055 ( -3.746 -2.937 -3.801) 6.092 7.270 ( -1.566 2.942 -2.983) 4.472 7.400 ( 4.602 1.065 -0.431) 4.744 7.443 ( -2.159 4.540 -5.052) 7.127 7.587 ( -3.020 -5.107 4.169) 7.252 7.619 ( 1.841 -8.752 0.634) 8.966 7.750 ( -4.079 -2.036 -3.164) 5.550 7.824 ( 3.505 -2.500 2.796) 5.134 7.990 ( 6.763 -0.348 -2.663) 7.277 8.176 ( -5.985 -2.328 2.336) 6.833 8.478 ( 1.771 -0.918 -2.355) 3.086 8.525 ( 1.382 7.093 2.432) 7.625 8.616 ( 1.773 0.849 -0.145) 1.971 9.199 ( -12.452 -2.656 -0.539) 12.743 9.625 ( 12.816 -6.893 6.370) 15.885 9.846 ( -12.799 4.827 -0.655) 13.695 10.269 ( 8.287 -4.175 -0.912) 9.324 11.351 ( -0.632 3.091 6.786) 7.483 11.509 ( 1.551 0.382 -7.545) 7.712 12.479 ( -3.389 -10.171 6.933) 12.767 12.703 ( -0.127 -14.212 -9.430) 17.056 14.581 ( -11.068 7.900 7.094) 15.338 14.881 ( -7.929 4.105 -3.757) 9.687 15.163 ( 9.955 3.790 0.128) 10.652 15.302 ( 12.320 -2.268 -1.913) 12.672 15.902 ( -0.112 2.109 4.787) 5.232 15.955 ( -2.845 -0.357 -7.461) 7.993 17.378 ( -0.437 -0.612 3.737) 3.812 17.419 ( -0.956 -1.315 -3.453) 3.817 ======================= Grid point 268 (142/160) ======================= q-point: ( 0.29 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.226 8.563 3.325) 9.189 2.204 ( -6.225 5.703 3.810) 9.263 2.326 ( -10.299 5.190 -3.719) 12.118 2.623 ( 1.503 6.749 -4.042) 8.009 2.880 ( -8.608 0.427 0.686) 8.646 3.012 ( -1.830 -3.177 -4.844) 6.075 3.300 ( -8.900 2.348 -1.922) 9.403 3.383 ( -5.779 3.436 0.495) 6.741 3.776 ( -7.981 6.604 -0.170) 10.360 3.895 ( 4.356 11.192 4.674) 12.888 4.016 ( -0.242 -1.596 -0.778) 1.792 4.200 ( 1.174 14.573 -2.049) 14.763 4.306 ( -6.487 7.916 0.949) 10.278 4.435 ( -3.303 6.996 -0.044) 7.737 4.676 ( -0.947 0.523 11.275) 11.327 4.843 ( 6.320 10.097 0.273) 11.915 4.881 ( 0.778 -0.187 -4.840) 4.905 5.106 ( 2.432 4.889 -4.847) 7.301 5.257 ( 6.645 3.968 10.846) 13.324 5.292 ( 5.657 -1.371 9.408) 11.063 5.433 ( 0.545 -2.551 11.288) 11.585 5.663 ( 5.707 -1.930 -8.496) 10.415 5.744 ( -4.542 0.666 7.512) 8.804 5.779 ( 8.359 1.167 3.854) 9.279 6.100 ( 5.486 2.367 -6.512) 8.838 6.204 ( -0.497 -4.533 6.461) 7.909 6.439 ( -2.576 -2.946 -8.551) 9.403 6.581 ( 1.575 -7.742 -10.887) 13.452 6.698 ( -3.582 -1.436 1.010) 3.989 6.762 ( 7.262 -1.521 -8.333) 11.158 6.883 ( -7.577 -4.884 5.022) 10.319 7.079 ( 6.406 -3.419 1.218) 7.363 7.177 ( -5.719 5.260 -5.467) 9.500 7.447 ( 1.445 1.192 -0.880) 2.070 7.484 ( 3.215 0.371 -2.355) 4.003 7.568 ( 1.632 -7.949 -0.171) 8.117 7.622 ( -2.089 -5.743 0.287) 6.118 7.684 ( -0.301 -5.317 -2.509) 5.887 7.881 ( 2.134 -3.611 2.100) 4.691 8.105 ( -2.671 -3.849 1.482) 4.913 8.160 ( 11.144 -0.567 -1.402) 11.246 8.412 ( -3.886 2.112 -0.506) 4.452 8.589 ( 0.644 -1.255 -2.481) 2.854 8.647 ( 0.304 -2.022 3.081) 3.698 9.008 ( -6.343 5.724 1.370) 8.653 9.573 ( -14.119 5.762 -2.778) 15.500 9.894 ( 12.809 -5.362 7.599) 15.830 10.381 ( 3.571 -7.138 -1.321) 8.090 11.351 ( -0.641 3.270 6.936) 7.694 11.524 ( 1.413 0.232 -8.207) 8.331 12.429 ( -2.848 -8.715 6.383) 11.172 12.654 ( -3.179 -12.330 -8.756) 15.454 14.437 ( -5.522 8.663 7.912) 12.967 14.730 ( -6.908 5.341 -5.772) 10.467 15.341 ( 8.403 1.923 4.083) 9.538 15.529 ( 11.902 -3.350 -2.364) 12.588 15.877 ( -4.201 -0.162 -7.343) 8.461 15.890 ( -1.862 1.425 2.843) 3.685 17.364 ( -1.623 -0.383 3.433) 3.816 17.398 ( -0.618 -1.060 -3.610) 3.812 ======================= Grid point 269 (143/160) ======================= q-point: ( 0.43 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -2.043 4.978 1.330) 5.543 2.107 ( -9.115 4.073 -2.872) 10.389 2.207 ( 7.530 2.580 7.123) 10.681 2.556 ( -9.562 -2.629 -5.864) 11.521 2.768 ( -0.937 5.082 2.226) 5.626 2.884 ( -7.170 3.826 -1.605) 8.284 3.303 ( 7.385 -2.365 -3.733) 8.606 3.347 ( -1.890 1.176 2.548) 3.383 3.660 ( -1.678 9.481 -1.599) 9.760 3.776 ( -12.544 6.931 -1.536) 14.414 4.064 ( 4.931 11.622 4.165) 13.294 4.193 ( -4.188 17.537 0.101) 18.031 4.310 ( 5.836 3.659 -0.262) 6.893 4.381 ( -2.290 5.064 -1.257) 5.698 4.665 ( -2.044 -0.107 10.647) 10.842 4.901 ( 2.302 0.115 -13.316) 13.514 4.950 ( 4.594 6.689 3.324) 8.769 5.082 ( -3.678 5.772 -2.455) 7.271 5.341 ( -2.902 -1.920 11.783) 12.286 5.386 ( 6.376 0.254 -1.173) 6.488 5.510 ( -2.452 2.893 24.991) 25.277 5.680 ( 4.965 0.617 16.176) 16.932 5.777 ( 7.284 -1.438 -12.639) 14.658 6.011 ( 11.043 0.833 -0.186) 11.076 6.110 ( -6.888 4.817 4.352) 9.465 6.197 ( 2.328 -2.504 -8.700) 9.347 6.442 ( 3.157 -4.789 -6.886) 8.962 6.517 ( -7.873 0.889 -7.254) 10.742 6.569 ( -3.973 -7.993 -0.542) 8.942 6.724 ( -5.587 0.526 -4.091) 6.945 6.910 ( 5.172 -2.099 0.178) 5.585 7.087 ( -2.597 2.083 -8.175) 8.827 7.218 ( 7.146 -2.480 3.596) 8.376 7.413 ( -4.741 -5.150 -2.446) 7.415 7.536 ( 1.619 -4.203 3.125) 5.483 7.588 ( 0.642 -3.617 2.080) 4.221 7.632 ( 2.169 -4.068 -4.961) 6.773 7.682 ( -0.157 -5.879 -3.432) 6.810 7.928 ( 3.045 -5.025 3.055) 6.622 8.058 ( -2.758 -4.052 -1.366) 5.088 8.348 ( 4.558 -0.604 0.960) 4.697 8.392 ( 5.439 0.018 0.585) 5.470 8.547 ( -6.091 -5.461 -1.169) 8.264 8.576 ( -4.442 -3.904 -1.849) 6.196 9.026 ( 6.535 12.245 5.048) 14.769 9.317 ( -12.083 9.267 -4.371) 15.842 10.122 ( 9.608 -6.142 8.864) 14.443 10.387 ( -2.325 -8.759 -4.431) 10.088 11.352 ( -0.487 2.920 7.846) 8.386 11.529 ( 0.525 0.036 -8.577) 8.593 12.403 ( -1.041 -7.925 6.998) 10.624 12.580 ( -2.688 -9.635 -7.687) 12.615 14.403 ( 0.134 7.791 8.311) 11.392 14.617 ( -3.886 6.575 -7.459) 10.676 15.480 ( 5.450 -0.047 7.018) 8.886 15.707 ( 6.042 -3.421 -1.835) 7.182 15.777 ( -5.343 0.557 -4.498) 7.006 15.856 ( -0.438 0.767 -3.526) 3.635 17.334 ( -1.993 0.122 3.862) 4.347 17.390 ( 0.473 -1.040 -3.535) 3.715 ======================= Grid point 270 (144/160) ======================= q-point: (-0.43 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -8.324 4.782 11.959) 15.336 2.115 ( 5.393 4.331 -2.786) 7.457 2.367 ( -1.609 -0.420 -2.353) 2.881 2.483 ( 12.663 -1.067 -1.552) 12.803 2.671 ( -6.255 4.793 8.631) 11.687 2.928 ( 8.325 3.907 -3.039) 9.686 3.242 ( -7.468 -3.391 0.374) 8.210 3.460 ( 6.187 3.195 -6.558) 9.565 3.593 ( -2.355 10.285 3.718) 11.187 3.785 ( 12.186 9.468 -0.917) 15.459 4.096 ( -5.768 12.150 1.580) 13.542 4.141 ( 1.429 12.958 3.679) 13.546 4.308 ( -2.721 6.471 -1.261) 7.132 4.436 ( 5.245 3.978 -4.950) 8.236 4.651 ( -0.664 1.321 10.923) 11.023 4.903 ( -0.386 -1.209 -10.740) 10.814 4.970 ( -3.485 7.461 1.323) 8.341 5.053 ( 2.034 3.886 -1.073) 4.515 5.238 ( -9.361 4.058 12.563) 16.184 5.407 ( -7.424 -0.424 14.823) 16.584 5.503 ( 4.569 0.136 3.338) 5.660 5.885 ( 6.809 -1.847 -0.839) 7.105 5.903 ( 4.107 0.478 4.491) 6.104 5.922 ( -7.704 -0.615 4.807) 9.101 6.104 ( -0.472 -0.079 1.408) 1.487 6.156 ( -5.433 1.916 -19.188) 20.035 6.366 ( -1.923 -3.517 1.396) 4.244 6.482 ( -2.288 -3.162 -1.458) 4.166 6.597 ( 5.328 -0.199 -3.828) 6.564 6.708 ( 5.340 -3.233 -3.392) 7.105 6.980 ( 1.869 -1.224 -2.317) 3.219 7.045 ( 0.763 1.273 -7.290) 7.440 7.291 ( -7.286 -7.776 -3.293) 11.153 7.343 ( 5.180 -0.632 3.865) 6.493 7.511 ( -4.859 -4.729 4.046) 7.896 7.598 ( -0.131 -2.144 1.056) 2.393 7.628 ( -0.921 -5.377 -2.662) 6.070 7.688 ( 0.684 -5.578 -4.072) 6.940 7.989 ( -1.643 -3.832 -0.757) 4.238 8.016 ( 3.061 -5.113 0.327) 5.968 8.312 ( -8.225 -0.459 3.101) 8.802 8.449 ( -1.546 -1.663 -3.967) 4.571 8.480 ( 1.074 -2.874 3.783) 4.871 8.600 ( 7.222 -4.851 -2.077) 8.944 9.102 ( -6.281 11.571 -1.080) 13.210 9.241 ( 11.278 9.459 1.899) 14.841 10.204 ( -5.864 -6.694 4.271) 9.871 10.339 ( 1.563 -7.322 -3.303) 8.183 11.358 ( -0.484 2.088 8.427) 8.695 11.515 ( -0.423 -0.040 -8.132) 8.143 12.413 ( 0.788 -8.143 7.621) 11.181 12.550 ( 0.943 -8.712 -6.382) 10.841 14.459 ( 4.206 6.818 7.627) 11.061 14.570 ( 0.463 7.142 -7.707) 10.517 15.538 ( -2.217 -2.876 8.030) 8.813 15.644 ( -6.851 -1.186 -6.772) 9.706 15.731 ( -0.713 4.236 1.939) 4.713 15.917 ( 5.844 -2.254 -7.238) 9.571 17.310 ( -1.172 0.534 4.552) 4.730 17.402 ( 1.391 -1.240 -3.075) 3.595 ======================= Grid point 271 (145/160) ======================= q-point: (-0.29 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 2.288 5.241 16.841) 17.786 2.229 ( 7.862 6.375 -4.045) 10.900 2.336 ( -3.016 3.566 5.247) 7.024 2.595 ( 3.900 7.672 -2.161) 8.873 2.806 ( 12.620 0.399 5.141) 13.633 3.041 ( -0.082 -2.767 -5.190) 5.882 3.211 ( 8.840 -3.470 3.546) 10.137 3.470 ( 2.266 16.276 -5.509) 17.332 3.715 ( 8.211 6.989 5.541) 12.123 3.962 ( -7.558 4.058 2.590) 8.961 4.000 ( 6.334 10.678 -2.776) 12.721 4.150 ( -0.610 8.774 3.517) 9.472 4.287 ( 1.045 4.558 1.087) 4.800 4.504 ( 4.215 6.743 -5.476) 9.655 4.707 ( 5.002 4.802 5.796) 9.038 4.846 ( -3.769 2.231 -0.624) 4.424 4.906 ( -3.506 5.587 -0.376) 6.607 5.058 ( -1.639 1.307 -4.025) 4.538 5.084 ( -8.656 4.397 16.020) 18.732 5.302 ( -6.409 6.178 8.347) 12.203 5.538 ( -4.160 -2.692 8.031) 9.436 5.710 ( -4.539 -2.571 -8.811) 10.239 5.908 ( -4.515 -0.449 -8.314) 9.471 5.980 ( -6.019 -4.784 -1.991) 7.943 6.020 ( 3.745 -6.338 -8.248) 11.055 6.181 ( 3.567 5.547 10.142) 12.098 6.324 ( -3.459 -3.248 -3.536) 5.918 6.490 ( 4.371 -4.322 -2.011) 6.467 6.616 ( -7.428 -0.614 4.136) 8.524 6.796 ( 6.837 -3.970 -6.008) 9.930 7.007 ( 1.615 -2.646 -7.780) 8.374 7.114 ( 5.028 -0.985 -0.907) 5.203 7.150 ( -4.956 -5.000 -3.339) 7.792 7.400 ( -1.761 4.687 1.639) 5.268 7.423 ( -2.783 -2.852 3.735) 5.462 7.607 ( -0.048 -6.969 -2.437) 7.383 7.613 ( 2.552 -0.722 0.136) 2.656 7.673 ( -1.737 -8.741 -0.302) 8.917 7.934 ( -2.705 -2.929 -2.377) 4.642 8.096 ( 3.323 -4.562 1.839) 5.936 8.137 ( -9.210 1.896 -0.132) 9.404 8.426 ( 0.920 -1.026 -2.007) 2.434 8.527 ( 1.556 -1.318 3.755) 4.273 8.701 ( 1.895 -3.708 -1.552) 4.445 9.034 ( 1.323 8.582 -1.193) 8.765 9.502 ( 14.758 5.338 4.187) 16.243 10.003 ( -13.386 -5.815 -2.850) 14.870 10.358 ( -1.296 -4.706 0.336) 4.893 11.360 ( -0.759 1.635 8.042) 8.242 11.494 ( -0.230 0.023 -7.053) 7.057 12.456 ( 2.372 -9.542 7.092) 12.123 12.583 ( 3.130 -9.888 -5.016) 11.521 14.565 ( 6.178 7.854 -0.875) 10.030 14.626 ( 6.433 4.933 0.746) 8.141 15.411 ( -10.830 -1.259 1.069) 10.955 15.490 ( -8.956 -0.856 -2.856) 9.439 15.767 ( 3.088 4.477 3.282) 6.353 15.994 ( 3.447 -2.193 -6.933) 8.048 17.311 ( 0.339 0.526 5.089) 5.128 17.425 ( 1.447 -1.504 -2.704) 3.416 ======================= Grid point 272 (146/160) ======================= q-point: (-0.14 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 9.907 4.861 16.045) 19.474 2.255 ( -5.941 8.264 11.292) 15.202 2.405 ( 10.497 8.975 -4.655) 14.574 2.689 ( 4.927 11.393 -8.036) 14.787 2.938 ( 0.235 -1.400 2.101) 2.536 3.013 ( -0.037 -3.138 -1.412) 3.442 3.452 ( 12.536 -3.127 2.242) 13.113 3.595 ( 10.856 18.241 0.762) 21.241 3.806 ( -7.195 -0.375 0.251) 7.210 3.859 ( 6.603 14.366 3.105) 16.113 4.029 ( -1.874 9.276 -3.967) 10.261 4.115 ( -3.833 5.249 5.500) 8.515 4.329 ( 2.478 4.208 5.475) 7.337 4.571 ( 1.351 8.301 -5.651) 10.132 4.704 ( -6.351 5.550 4.591) 9.603 4.823 ( 0.694 2.491 6.505) 7.000 4.914 ( -2.472 0.946 0.170) 2.652 4.984 ( -5.956 5.288 12.112) 14.496 5.012 ( 4.105 -0.855 -7.747) 8.809 5.227 ( 2.680 6.497 4.372) 8.277 5.443 ( -5.103 -5.618 6.588) 10.050 5.699 ( 2.109 -1.442 -12.225) 12.489 5.767 ( -8.199 2.437 -4.291) 9.569 5.892 ( -5.048 -7.988 1.979) 9.655 6.047 ( -0.748 -8.036 -5.396) 9.708 6.210 ( -0.711 1.395 -5.411) 5.633 6.260 ( -2.316 0.734 0.775) 2.550 6.408 ( -8.757 -0.267 6.169) 10.715 6.630 ( 8.455 -6.086 -2.828) 10.795 6.904 ( 2.130 -6.363 -8.473) 10.808 6.971 ( -4.239 -2.670 2.798) 5.738 7.037 ( -1.951 -7.713 -7.159) 10.703 7.238 ( 2.799 3.254 0.426) 4.313 7.360 ( 0.926 1.987 2.213) 3.115 7.403 ( 0.209 2.784 -0.008) 2.792 7.613 ( -2.054 -9.790 1.263) 10.082 7.650 ( 2.250 -6.372 -1.960) 7.036 7.701 ( 5.114 -1.142 1.509) 5.453 7.862 ( -5.865 1.854 0.619) 6.182 7.975 ( -5.234 -2.142 -3.007) 6.405 8.189 ( 5.769 -0.339 0.986) 5.863 8.446 ( -1.073 -2.115 0.327) 2.394 8.537 ( 0.204 1.540 0.805) 1.750 8.658 ( -4.082 3.524 -3.301) 6.323 9.153 ( 9.796 -0.634 3.733) 10.502 9.710 ( -9.054 -9.533 -0.645) 13.163 9.802 ( 8.412 6.414 2.098) 10.784 10.282 ( -6.512 -2.194 -2.109) 7.188 11.356 ( -0.972 1.998 7.522) 7.843 11.487 ( 0.673 0.152 -6.522) 6.558 12.509 ( 1.377 -11.374 7.767) 13.842 12.637 ( 3.626 -11.681 -6.591) 13.894 14.698 ( 8.717 7.815 -4.138) 12.417 14.782 ( 8.787 2.528 5.726) 10.788 15.182 ( -12.720 1.664 -1.271) 12.891 15.310 ( -9.652 0.256 -3.366) 10.225 15.831 ( 2.754 3.654 4.892) 6.698 16.021 ( 0.853 -1.448 -7.034) 7.232 17.336 ( 1.291 0.082 5.018) 5.182 17.441 ( 0.653 -1.650 -2.704) 3.234 ======================= Grid point 273 (147/160) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 8.397 8.918 11.041) 16.491 2.384 ( -5.129 10.570 5.247) 12.867 2.671 ( 3.594 -1.060 4.317) 5.717 2.771 ( -1.495 -6.966 -0.506) 7.142 2.961 ( -1.027 9.471 -2.275) 9.794 3.058 ( -0.801 6.664 -7.088) 9.761 3.583 ( -4.227 -6.172 -1.450) 7.620 3.606 ( 5.932 -4.899 -3.125) 8.304 4.023 ( -0.386 6.225 4.527) 7.707 4.061 ( -3.442 4.402 1.440) 5.770 4.249 ( -4.929 15.948 5.744) 17.653 4.314 ( 8.174 11.887 -1.088) 14.468 4.554 ( 6.500 2.557 5.978) 9.194 4.664 ( -6.363 5.426 -2.825) 8.827 4.752 ( -1.923 4.559 7.867) 9.293 4.839 ( -5.283 3.043 -1.233) 6.220 4.945 ( 1.234 7.937 1.723) 8.216 5.020 ( 3.702 0.187 2.488) 4.464 5.071 ( 1.409 5.188 -2.188) 5.804 5.234 ( -3.123 -2.902 -2.459) 4.922 5.448 ( -0.546 -2.603 5.013) 5.675 5.552 ( -11.300 -3.554 5.428) 13.030 5.656 ( 4.803 -6.794 -5.941) 10.223 5.700 ( 4.670 -5.257 -3.425) 7.821 5.909 ( -0.479 -0.531 5.762) 5.806 6.157 ( -0.051 2.109 -13.948) 14.107 6.336 ( 1.128 0.261 5.674) 5.791 6.407 ( 2.484 4.061 -1.776) 5.082 6.605 ( 1.324 -3.476 -1.456) 3.995 6.696 ( -0.629 -5.693 -9.271) 10.897 6.766 ( -4.000 -7.292 7.950) 11.505 6.920 ( 2.579 -9.817 -7.013) 12.337 7.347 ( 2.540 -2.781 1.627) 4.103 7.363 ( -1.817 -6.219 0.898) 6.541 7.410 ( -1.955 4.135 0.561) 4.608 7.452 ( 2.371 4.157 -3.755) 6.082 7.670 ( 2.729 -4.672 4.140) 6.813 7.721 ( -2.881 -2.329 -1.486) 3.992 7.821 ( -1.180 4.883 1.618) 5.278 7.906 ( 2.058 1.137 -6.036) 6.478 8.273 ( -2.940 -0.609 5.247) 6.045 8.362 ( 2.463 -1.772 -3.083) 4.326 8.566 ( 1.044 -1.717 2.205) 2.984 8.631 ( -0.985 -1.131 -3.807) 4.092 9.344 ( 7.383 1.517 4.414) 8.735 9.392 ( -8.770 -0.255 -0.154) 8.775 10.023 ( 2.608 0.623 3.458) 4.376 10.104 ( -3.148 -3.001 -4.440) 6.215 11.414 ( -0.012 3.014 4.779) 5.650 11.494 ( 0.983 -0.519 -2.848) 3.057 12.327 ( -0.689 -5.894 3.349) 6.814 12.432 ( 1.456 -10.087 -6.662) 12.176 14.871 ( -4.516 3.841 9.713) 11.379 14.969 ( 3.424 -0.779 5.801) 6.781 15.117 ( 2.407 4.120 -8.052) 9.359 15.183 ( -1.859 0.840 -8.985) 9.213 15.933 ( 0.781 2.063 1.841) 2.873 15.987 ( -0.802 -0.900 -3.592) 3.789 17.363 ( 0.516 0.163 2.806) 2.857 17.404 ( -0.224 -1.636 -1.450) 2.197 ======================= Grid point 274 (148/160) ======================= q-point: ( 0.14 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -6.607 10.819 2.200) 12.866 2.432 ( -1.710 6.407 4.522) 8.026 2.631 ( -6.204 2.128 -1.961) 6.846 2.776 ( 1.199 2.641 1.722) 3.373 2.921 ( -2.597 -0.793 4.477) 5.236 2.994 ( -3.718 5.160 -8.120) 10.314 3.385 ( -12.785 -6.495 -3.428) 14.744 3.584 ( -10.528 -9.209 -1.834) 14.107 4.006 ( 3.548 9.492 3.937) 10.872 4.078 ( -1.430 4.890 5.485) 7.486 4.159 ( -4.769 15.363 2.752) 16.319 4.395 ( -0.585 8.718 -2.945) 9.221 4.580 ( 0.241 6.273 -7.152) 9.516 4.637 ( 2.877 3.471 6.850) 8.200 4.696 ( -4.711 4.060 6.122) 8.727 4.883 ( 1.772 1.134 6.819) 7.136 4.976 ( 2.253 9.077 -3.460) 9.972 5.076 ( 6.228 3.204 -4.238) 8.186 5.143 ( 5.022 1.105 4.720) 6.980 5.244 ( 3.428 -0.418 6.336) 7.216 5.366 ( -2.328 -1.727 8.563) 9.040 5.501 ( 1.380 -6.675 -0.191) 6.819 5.715 ( 3.281 0.071 -4.305) 5.413 5.808 ( 2.564 -3.356 1.170) 4.382 5.927 ( 2.653 0.547 1.304) 3.007 6.190 ( 6.676 5.318 -11.373) 14.220 6.365 ( 0.166 -7.377 4.877) 8.845 6.480 ( 4.108 -0.378 -4.771) 6.307 6.565 ( -3.081 -1.148 -1.620) 3.666 6.696 ( 2.815 -4.220 -2.535) 5.671 6.752 ( -0.321 -7.840 0.210) 7.849 6.955 ( 2.440 -6.560 -3.932) 8.028 7.331 ( -2.039 -4.430 1.680) 5.158 7.382 ( 0.168 3.189 -4.059) 5.164 7.409 ( 2.998 -5.995 1.759) 6.930 7.497 ( 1.027 3.984 -0.222) 4.120 7.627 ( -4.477 0.224 -0.428) 4.503 7.693 ( -2.815 -4.050 0.657) 4.976 7.779 ( -0.354 2.169 -3.305) 3.969 7.981 ( 4.239 -1.637 -1.765) 4.874 8.176 ( -4.479 3.180 3.615) 6.576 8.424 ( 1.691 -4.310 -1.107) 4.761 8.577 ( -0.068 -2.153 0.460) 2.202 8.599 ( -1.941 -1.133 -2.602) 3.438 9.255 ( -5.287 6.688 0.822) 8.565 9.506 ( 8.276 -4.643 5.129) 10.787 9.935 ( -7.009 4.013 -0.538) 8.094 10.156 ( 4.112 -6.172 1.005) 7.484 11.421 ( -0.010 3.328 3.848) 5.087 11.508 ( 1.123 -0.560 -4.048) 4.238 12.310 ( -1.527 -5.060 2.916) 6.036 12.437 ( 0.167 -10.478 -6.985) 12.593 14.741 ( -8.474 7.018 7.666) 13.410 14.920 ( -6.272 -0.485 0.600) 6.319 15.228 ( 7.485 2.121 -3.037) 8.351 15.273 ( 10.393 -0.462 -5.261) 11.658 15.935 ( -0.943 1.020 1.720) 2.211 15.950 ( -2.453 -0.071 -3.381) 4.178 17.368 ( -0.382 -0.195 2.311) 2.351 17.392 ( -0.705 -1.219 -1.685) 2.196 ======================= Grid point 275 (149/160) ======================= q-point: ( 0.29 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -3.895 8.624 -1.268) 9.548 2.307 ( -8.116 3.301 0.659) 8.787 2.475 ( -11.390 8.318 -2.235) 14.279 2.740 ( -9.197 1.398 3.389) 9.901 2.857 ( -3.629 -0.020 4.519) 5.796 2.951 ( -0.050 -1.397 -7.761) 7.886 3.195 ( -4.194 -5.308 -5.869) 8.956 3.375 ( -8.262 -7.425 3.695) 11.707 3.938 ( -8.772 7.177 1.566) 11.442 4.045 ( -5.559 2.006 4.660) 7.526 4.201 ( 7.036 15.357 2.652) 17.099 4.348 ( -1.270 5.188 -0.565) 5.372 4.578 ( -0.112 6.253 -5.856) 8.567 4.638 ( -2.440 10.041 5.409) 11.663 4.689 ( 0.835 5.827 3.799) 7.006 4.889 ( 0.572 1.063 -0.610) 1.353 5.011 ( 2.058 6.699 -3.560) 7.860 5.168 ( 1.269 -1.078 -1.485) 2.231 5.244 ( 4.451 0.312 10.812) 11.697 5.398 ( 10.567 0.708 11.950) 15.967 5.409 ( 3.641 3.899 1.101) 5.447 5.550 ( 3.872 -6.229 3.120) 7.970 5.786 ( -2.362 1.068 2.762) 3.788 5.804 ( 5.960 0.234 0.017) 5.964 6.042 ( 10.242 2.081 -9.173) 13.906 6.276 ( -0.233 2.783 -1.610) 3.223 6.354 ( 0.243 -4.323 3.559) 5.604 6.443 ( -3.234 -1.310 -6.362) 7.256 6.633 ( 2.019 -5.717 -0.561) 6.089 6.678 ( -0.481 -10.942 -1.424) 11.044 6.792 ( 3.967 1.775 -2.754) 5.145 7.015 ( 4.298 -4.426 -2.883) 6.810 7.278 ( -3.726 2.049 -2.866) 5.128 7.393 ( 1.361 -5.001 -2.113) 5.597 7.411 ( -4.923 -5.228 4.509) 8.479 7.484 ( 0.058 -0.454 2.146) 2.195 7.589 ( -0.744 4.652 -1.481) 4.938 7.638 ( -0.237 -1.618 -5.642) 5.875 7.790 ( 1.048 -2.757 -0.829) 3.064 8.002 ( -1.573 -5.938 -1.085) 6.237 8.196 ( 5.711 3.884 1.694) 7.111 8.414 ( -1.714 -2.361 -0.750) 3.012 8.538 ( -4.473 -4.343 -0.777) 6.282 8.562 ( -1.583 -2.383 -1.924) 3.447 9.215 ( 0.654 11.403 2.804) 11.761 9.588 ( -2.529 -4.678 0.320) 5.327 9.880 ( 3.324 4.532 4.175) 7.001 10.207 ( 0.962 -9.026 1.126) 9.146 11.425 ( -0.270 3.542 3.469) 4.965 11.520 ( 0.841 -0.756 -4.876) 5.006 12.287 ( -1.341 -4.136 2.662) 5.098 12.415 ( -1.098 -9.665 -6.878) 11.913 14.623 ( -5.228 8.485 7.442) 12.438 14.806 ( -5.342 1.306 -2.372) 5.989 15.361 ( 6.628 0.632 1.262) 6.777 15.463 ( 10.145 -3.152 -5.241) 11.846 15.884 ( -3.731 0.910 -1.967) 4.314 15.911 ( -2.005 0.423 -0.021) 2.049 17.358 ( -1.084 -0.127 1.991) 2.271 17.376 ( -0.624 -0.948 -1.698) 2.042 ======================= Grid point 276 (150/160) ======================= q-point: ( 0.43 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -0.936 6.749 -1.128) 6.906 2.214 ( -9.033 4.947 2.930) 10.708 2.270 ( 1.251 3.470 -0.883) 3.793 2.494 ( -13.554 -3.780 -1.837) 14.191 2.817 ( -3.255 1.363 7.245) 8.059 2.912 ( -1.672 -0.688 -3.990) 4.381 3.227 ( 6.408 -3.074 -3.633) 7.982 3.306 ( -1.656 -4.566 -0.797) 4.922 3.832 ( -1.215 5.915 1.168) 6.151 3.900 ( -8.235 3.416 1.810) 9.097 4.298 ( 1.859 8.254 5.004) 9.830 4.388 ( 3.862 6.567 -0.664) 7.647 4.550 ( -2.979 9.801 2.500) 10.545 4.631 ( 1.699 14.680 1.239) 14.830 4.683 ( -1.050 5.234 2.148) 5.754 4.892 ( -0.069 1.488 -9.343) 9.461 5.054 ( 2.114 1.939 3.144) 4.256 5.139 ( -2.820 0.419 -0.461) 2.888 5.322 ( 1.562 -1.241 11.197) 11.374 5.456 ( 1.572 1.441 -2.475) 3.267 5.544 ( 2.347 1.285 7.016) 7.509 5.689 ( 3.151 -1.316 1.965) 3.940 5.757 ( 7.245 3.799 7.089) 10.825 5.951 ( 6.330 -4.680 2.916) 8.394 6.168 ( -7.914 -0.646 -0.860) 7.987 6.214 ( 7.569 3.058 -10.614) 13.390 6.368 ( -3.248 -4.977 -4.643) 7.542 6.429 ( -0.055 0.986 6.177) 6.255 6.510 ( -1.711 -1.213 -2.749) 3.458 6.783 ( -4.669 4.299 -8.043) 10.245 6.808 ( 6.936 -8.470 5.323) 12.173 7.047 ( -1.520 -5.512 -6.552) 8.696 7.253 ( 3.649 2.471 -2.300) 4.971 7.310 ( -5.484 -2.382 3.093) 6.732 7.434 ( 2.320 -8.242 0.768) 8.597 7.466 ( -2.667 -2.845 2.817) 4.811 7.587 ( 0.704 1.057 -1.233) 1.770 7.654 ( 2.067 0.826 -7.465) 7.790 7.810 ( 1.427 -4.622 1.887) 5.192 7.952 ( -3.141 -5.809 -3.600) 7.521 8.325 ( 5.935 -0.788 0.896) 6.054 8.392 ( 0.111 -1.530 0.063) 1.536 8.447 ( -3.918 -2.103 -0.152) 4.450 8.512 ( -3.132 -2.684 -2.845) 5.011 9.276 ( 4.713 10.932 4.355) 12.676 9.470 ( -7.459 4.295 -2.395) 8.934 10.012 ( 7.355 -3.245 6.475) 10.322 10.193 ( -2.362 -9.232 -1.100) 9.593 11.423 ( -0.655 3.491 4.108) 5.431 11.520 ( 0.031 -0.934 -4.841) 4.930 12.274 ( -0.469 -3.786 2.867) 4.772 12.383 ( -0.876 -8.265 -6.547) 10.580 14.578 ( -0.996 8.204 7.650) 11.261 14.725 ( -2.728 2.919 -3.668) 5.424 15.463 ( 3.483 -0.556 3.649) 5.075 15.602 ( 4.792 -5.810 -7.244) 10.449 15.818 ( -2.362 2.718 0.879) 3.707 15.874 ( -1.184 0.494 -2.739) 3.024 17.339 ( -1.229 0.307 2.268) 2.598 17.367 ( 0.088 -1.030 -1.660) 1.955 ======================= Grid point 277 (151/160) ======================= q-point: (-0.43 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -6.959 8.908 9.266) 14.616 2.236 ( 6.620 6.614 -0.197) 9.360 2.321 ( -1.689 -4.120 -3.296) 5.540 2.465 ( 15.496 -1.789 1.468) 15.668 2.747 ( -4.570 3.514 10.751) 12.198 2.930 ( 3.427 -2.725 -2.378) 4.982 3.198 ( -5.864 0.051 -2.994) 6.584 3.398 ( 8.288 -6.181 -7.548) 12.801 3.815 ( 0.083 7.884 2.305) 8.215 3.914 ( 8.748 2.619 1.351) 9.230 4.297 ( -3.114 6.865 5.188) 9.151 4.413 ( -0.840 3.416 -4.761) 5.919 4.478 ( -4.977 16.368 7.613) 18.725 4.678 ( 1.017 8.620 -1.854) 8.876 4.713 ( 5.537 11.043 4.239) 13.061 4.867 ( -0.235 -0.578 -10.064) 10.083 5.025 ( -4.996 -1.848 4.216) 6.793 5.136 ( 0.916 5.052 1.179) 5.268 5.344 ( -0.791 -3.186 10.025) 10.549 5.429 ( -5.137 7.091 1.304) 8.853 5.556 ( -0.018 3.817 2.918) 4.804 5.721 ( 3.618 -8.031 -4.260) 9.784 5.918 ( -8.947 -2.963 -3.355) 10.005 5.956 ( 4.220 1.476 3.837) 5.891 6.040 ( -5.984 -1.648 4.500) 7.667 6.252 ( 0.373 3.583 -2.267) 4.256 6.280 ( -6.024 -0.489 -3.295) 6.884 6.408 ( 5.788 -5.066 2.778) 8.178 6.618 ( 0.231 3.840 -1.982) 4.328 6.679 ( 0.368 0.434 -4.843) 4.876 6.903 ( 0.768 -7.252 2.250) 7.632 6.983 ( -1.391 -7.801 -5.894) 9.875 7.221 ( -3.326 0.771 1.091) 3.584 7.366 ( 5.935 2.003 -1.885) 6.541 7.393 ( -2.650 -6.054 3.367) 7.417 7.487 ( 1.892 -4.451 0.448) 4.857 7.586 ( -1.136 0.305 -0.954) 1.515 7.656 ( -0.781 2.046 -6.931) 7.269 7.866 ( 3.021 -7.161 3.380) 8.476 7.884 ( -2.104 -6.312 -4.163) 7.848 8.317 ( -4.586 1.017 1.023) 4.807 8.409 ( 0.326 -2.140 -1.223) 2.486 8.440 ( 0.030 -0.792 1.055) 1.319 8.509 ( 5.433 -3.821 -2.484) 7.091 9.325 ( -4.907 9.056 0.351) 10.306 9.410 ( 6.014 5.949 2.660) 8.868 10.077 ( -4.353 -4.619 1.714) 6.575 10.174 ( 3.420 -7.772 -0.788) 8.527 11.415 ( -0.918 3.113 5.231) 6.156 11.506 ( -0.702 -0.892 -3.829) 3.993 12.279 ( 0.455 -4.066 3.042) 5.098 12.370 ( 0.693 -7.623 -5.931) 9.683 14.609 ( 2.798 6.838 7.419) 10.470 14.698 ( 0.622 4.170 -3.864) 5.720 15.481 ( -2.735 -1.709 4.241) 5.328 15.583 ( -4.484 -4.444 -7.777) 10.016 15.817 ( 1.250 3.527 0.991) 3.871 15.890 ( 3.485 -0.604 -4.005) 5.343 17.324 ( -0.626 0.827 2.695) 2.888 17.374 ( 0.823 -1.423 -1.331) 2.115 ======================= Grid point 278 (152/160) ======================= q-point: (-0.29 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 3.076 10.294 14.032) 17.673 2.318 ( 5.986 -0.443 -0.167) 6.005 2.443 ( 7.866 7.294 2.051) 10.922 2.719 ( 1.099 -0.154 12.286) 12.336 2.783 ( 15.017 1.489 0.304) 15.094 3.000 ( 2.620 -1.432 -6.249) 6.926 3.133 ( 3.652 -0.625 -1.347) 3.943 3.507 ( 5.776 -9.377 -8.592) 13.968 3.918 ( 9.013 10.421 3.516) 14.220 4.095 ( 7.659 1.652 1.767) 8.032 4.206 ( -5.447 12.374 1.327) 13.584 4.344 ( -4.825 5.395 -0.824) 7.285 4.426 ( -2.509 10.942 8.187) 13.894 4.715 ( 3.658 8.226 -3.905) 9.813 4.820 ( 4.710 7.276 2.406) 8.995 4.863 ( 1.111 -1.169 -6.710) 6.901 4.937 ( -4.633 -0.182 2.462) 5.250 5.105 ( -4.820 6.140 5.274) 9.421 5.280 ( -8.305 6.077 5.919) 11.871 5.358 ( -1.441 1.278 4.533) 4.925 5.563 ( -1.322 1.783 1.805) 2.861 5.658 ( -12.273 -0.235 -8.398) 14.874 5.786 ( 2.188 -8.161 -1.767) 8.632 5.876 ( -10.401 -3.860 -0.826) 11.125 5.969 ( -1.549 -0.125 -6.007) 6.205 6.209 ( -2.233 -5.326 4.148) 7.110 6.322 ( 1.951 6.756 7.653) 10.393 6.467 ( 1.712 0.059 -4.781) 5.078 6.601 ( -4.040 -1.472 -1.560) 4.574 6.656 ( 0.494 -5.131 -1.522) 5.375 6.877 ( -0.511 -8.471 -6.771) 10.857 6.958 ( -3.420 -8.512 1.569) 9.307 7.238 ( 4.725 4.720 0.988) 6.752 7.339 ( -1.920 -3.901 2.956) 5.257 7.483 ( 3.914 -3.821 -2.949) 6.214 7.508 ( -0.484 -4.137 -0.457) 4.190 7.554 ( -0.977 6.551 0.570) 6.648 7.633 ( 1.210 2.785 -3.127) 4.358 7.822 ( -2.048 -6.236 -3.672) 7.521 7.955 ( 3.330 -8.126 2.556) 9.147 8.223 ( -4.348 5.293 -1.149) 6.946 8.402 ( 0.230 -1.616 -0.269) 1.654 8.486 ( 2.837 -1.840 3.350) 4.760 8.599 ( 4.022 -5.119 -3.178) 7.245 9.245 ( -2.662 10.116 -0.231) 10.463 9.537 ( 5.082 -2.245 4.731) 7.298 9.961 ( -5.718 2.143 -3.190) 6.890 10.223 ( 0.742 -7.645 -0.469) 7.696 11.409 ( -0.738 2.719 5.820) 6.466 11.488 ( -0.460 -0.702 -2.513) 2.650 12.299 ( 1.045 -4.836 2.915) 5.742 12.385 ( 1.748 -8.139 -5.299) 9.868 14.700 ( 5.722 5.059 5.940) 9.675 14.737 ( 4.011 4.475 -1.807) 6.275 15.381 ( -7.954 -0.817 1.653) 8.165 15.456 ( -7.270 -2.524 -6.878) 10.321 15.856 ( 2.591 3.660 0.375) 4.500 15.952 ( 3.287 -1.696 -3.611) 5.169 17.327 ( 0.323 1.020 3.074) 3.255 17.390 ( 1.008 -1.807 -1.098) 2.342 ======================= Grid point 279 (153/160) ======================= q-point: (-0.14 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 8.980 10.284 14.595) 19.986 2.426 ( 1.733 5.630 3.862) 7.044 2.551 ( 6.060 4.082 4.951) 8.826 2.775 ( 1.200 -6.426 8.280) 10.550 2.957 ( 2.763 9.377 -8.654) 13.056 3.019 ( 4.860 2.977 -4.188) 7.072 3.362 ( 15.826 -4.393 -0.730) 16.440 3.607 ( 5.004 -10.360 -4.110) 12.217 4.021 ( -3.003 12.419 1.814) 12.905 4.129 ( 4.826 8.369 2.811) 10.061 4.190 ( -1.017 7.661 -2.410) 8.095 4.307 ( -0.853 11.696 5.919) 13.137 4.421 ( 2.984 3.952 8.501) 9.839 4.750 ( -2.021 7.375 -3.904) 8.585 4.842 ( -5.408 -2.216 -3.516) 6.820 4.884 ( 2.998 6.151 3.283) 7.589 4.907 ( 3.810 1.383 1.809) 4.439 5.016 ( -5.975 4.121 1.825) 7.484 5.137 ( -7.051 7.969 1.062) 10.694 5.313 ( -4.348 -3.368 2.146) 5.904 5.419 ( -3.964 8.973 5.054) 11.035 5.618 ( 2.371 -6.497 -9.539) 11.782 5.707 ( -5.952 -8.624 -2.829) 10.854 5.767 ( -6.748 -4.918 -0.769) 8.385 5.918 ( -2.358 -0.729 3.813) 4.542 6.180 ( -0.503 -5.296 -6.151) 8.133 6.323 ( -0.422 5.566 2.905) 6.293 6.441 ( -6.638 3.189 5.395) 9.129 6.550 ( 4.468 -1.058 -5.458) 7.133 6.700 ( 1.408 -8.545 -3.740) 9.433 6.849 ( -3.469 -8.334 0.272) 9.031 6.900 ( -0.432 -8.388 -5.085) 9.818 7.320 ( 0.134 -0.434 1.915) 1.968 7.339 ( 4.409 0.158 1.266) 4.590 7.437 ( -3.410 -4.835 -1.032) 6.006 7.498 ( -4.115 6.114 -1.252) 7.475 7.585 ( 5.113 -2.372 1.588) 5.856 7.716 ( 4.722 4.416 1.409) 6.618 7.794 ( 0.139 -5.988 -4.280) 7.362 7.958 ( -3.334 -2.274 -0.688) 4.094 8.212 ( 3.697 3.598 0.321) 5.169 8.397 ( -1.661 -2.751 0.272) 3.225 8.535 ( 1.806 -1.291 2.971) 3.709 8.640 ( 1.009 -3.874 -3.695) 5.448 9.243 ( 2.550 7.414 1.934) 8.075 9.541 ( -5.798 -6.758 1.868) 9.098 9.931 ( 3.553 6.010 -0.697) 7.016 10.193 ( -3.522 -5.777 -2.346) 7.161 11.408 ( -0.339 2.715 5.572) 6.207 11.484 ( 0.428 -0.581 -2.079) 2.201 12.322 ( 0.647 -5.773 3.214) 6.639 12.411 ( 1.860 -9.089 -5.765) 10.923 14.829 ( 5.717 4.095 0.972) 7.099 14.836 ( 7.131 2.401 6.471) 9.924 15.216 ( -8.947 1.852 -2.190) 9.396 15.304 ( -7.554 -1.061 -7.350) 10.593 15.903 ( 2.124 3.022 1.254) 3.900 15.989 ( 1.277 -1.541 -3.610) 4.128 17.344 ( 0.846 0.713 3.118) 3.308 17.403 ( 0.536 -1.896 -1.158) 2.286 ======================= Grid point 280 (154/160) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 4.761 -6.169 5.403) 9.482 2.519 ( 4.761 6.169 5.403) 9.482 2.610 ( -1.921 -5.103 6.733) 8.664 2.610 ( -1.921 5.103 6.733) 8.664 3.130 ( -1.394 -3.220 -6.744) 7.602 3.130 ( -1.394 3.220 -6.744) 7.602 3.510 ( 0.872 -1.654 -2.033) 2.762 3.510 ( 0.872 1.654 -2.033) 2.762 4.092 ( -2.119 -0.941 3.809) 4.460 4.092 ( -2.119 0.941 3.809) 4.460 4.498 ( 5.781 -5.321 3.238) 8.498 4.498 ( 5.781 5.321 3.238) 8.498 4.586 ( -3.627 -11.863 1.634) 12.512 4.586 ( -3.627 11.863 1.634) 12.512 4.830 ( -2.673 -3.725 1.399) 4.793 4.830 ( -2.673 3.725 1.399) 4.793 5.074 ( 4.477 -1.612 2.898) 5.572 5.074 ( 4.477 1.612 2.898) 5.572 5.196 ( -3.469 -4.781 -6.019) 8.433 5.196 ( -3.469 4.781 -6.019) 8.433 5.422 ( -8.081 -2.661 6.230) 10.545 5.422 ( -8.081 2.661 6.230) 10.545 5.587 ( 6.316 -2.010 -8.373) 10.679 5.587 ( 6.316 2.010 -8.373) 10.679 6.045 ( 1.293 -9.863 8.822) 13.296 6.045 ( 1.293 9.863 8.822) 13.296 6.443 ( -0.020 -5.312 -5.620) 7.734 6.443 ( -0.020 5.312 -5.620) 7.734 6.599 ( -2.663 -3.026 0.210) 4.037 6.599 ( -2.663 3.026 0.210) 4.037 6.710 ( 3.148 -6.793 -5.445) 9.258 6.710 ( 3.148 6.793 -5.445) 9.258 7.297 ( -0.530 -0.438 1.911) 2.031 7.297 ( -0.530 0.438 1.911) 2.031 7.511 ( 1.220 -3.267 -0.074) 3.488 7.511 ( 1.220 3.267 -0.074) 3.488 7.628 ( -1.346 -4.099 -0.538) 4.348 7.628 ( -1.346 4.099 -0.538) 4.348 7.912 ( 1.448 -2.292 -2.261) 3.531 7.912 ( 1.448 2.292 -2.261) 3.531 8.300 ( -0.896 -3.135 2.436) 4.070 8.300 ( -0.896 3.135 2.436) 4.070 8.572 ( 0.628 -2.730 -2.351) 3.657 8.572 ( 0.628 2.730 -2.351) 3.657 9.386 ( -0.362 -1.422 2.825) 3.183 9.386 ( -0.362 1.422 2.825) 3.183 10.047 ( -0.810 -2.033 -0.981) 2.398 10.047 ( -0.810 2.033 -0.981) 2.398 11.468 ( 0.538 -1.974 1.503) 2.538 11.468 ( 0.538 1.974 1.503) 2.538 12.293 ( 0.345 -2.724 -2.454) 3.683 12.293 ( 0.345 2.724 -2.454) 3.683 14.935 ( -0.859 -2.322 9.181) 9.509 14.935 ( -0.859 2.322 9.181) 9.509 15.178 ( 0.747 -1.515 -10.008) 10.150 15.178 ( 0.747 1.515 -10.008) 10.150 15.966 ( -0.115 -1.197 -0.772) 1.429 15.966 ( -0.115 1.197 -0.772) 1.429 17.375 ( 0.109 -1.025 0.665) 1.227 17.375 ( 0.109 1.025 0.665) 1.227 ======================= Grid point 282 (155/160) ======================= q-point: ( 0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -7.566 -5.801 -0.718) 9.561 2.458 ( -7.566 5.801 -0.718) 9.561 2.685 ( 4.012 -6.027 6.641) 9.825 2.685 ( 4.012 6.027 6.641) 9.825 3.025 ( -7.610 -5.266 -3.767) 9.992 3.025 ( -7.610 5.266 -3.767) 9.992 3.383 ( -11.660 -7.761 -2.846) 14.293 3.383 ( -11.660 7.761 -2.846) 14.293 4.106 ( 0.363 -1.639 6.206) 6.429 4.106 ( 0.363 1.639 6.206) 6.429 4.445 ( -5.886 -7.498 -2.560) 9.871 4.445 ( -5.886 7.498 -2.560) 9.871 4.620 ( 2.656 -1.077 2.048) 3.522 4.620 ( 2.656 1.077 2.048) 3.522 4.839 ( 1.921 -4.970 3.818) 6.555 4.839 ( 1.921 4.970 3.818) 6.555 5.147 ( 2.780 -2.831 -2.450) 4.663 5.147 ( 2.780 2.831 -2.450) 4.663 5.178 ( 2.976 -3.918 2.141) 5.365 5.178 ( 2.976 3.918 2.141) 5.365 5.360 ( 0.552 -3.574 6.334) 7.294 5.360 ( 0.552 3.574 6.334) 7.294 5.725 ( 7.764 -2.427 -5.489) 9.813 5.725 ( 7.764 2.427 -5.489) 9.813 6.097 ( 3.751 -11.133 4.258) 12.496 6.097 ( 3.751 11.133 4.258) 12.496 6.413 ( -1.789 -8.125 -0.410) 8.329 6.413 ( -1.789 8.125 -0.410) 8.329 6.560 ( -1.470 -5.459 -5.000) 7.548 6.560 ( -1.470 5.459 -5.000) 7.548 6.786 ( 5.473 -7.858 -3.842) 10.318 6.786 ( 5.473 7.858 -3.842) 10.318 7.295 ( -0.250 -2.562 2.644) 3.690 7.295 ( -0.250 2.562 2.644) 3.690 7.524 ( -0.992 -7.052 -1.213) 7.224 7.524 ( -0.992 7.052 -1.213) 7.224 7.600 ( -0.590 -4.817 -0.451) 4.874 7.600 ( -0.590 4.817 -0.451) 4.874 7.899 ( -1.837 -5.999 -3.343) 7.109 7.899 ( -1.837 5.999 -3.343) 7.109 8.295 ( -0.029 -7.109 2.989) 7.712 8.295 ( -0.029 7.109 2.989) 7.712 8.562 ( -1.297 -1.370 -2.968) 3.517 8.562 ( -1.297 1.370 -2.968) 3.517 9.401 ( 1.331 -6.094 2.926) 6.890 9.401 ( 1.331 6.094 2.926) 6.890 10.031 ( -0.837 -5.393 0.781) 5.513 10.031 ( -0.837 5.393 0.781) 5.513 11.481 ( 0.568 -2.129 0.271) 2.220 11.481 ( 0.568 2.129 0.271) 2.220 12.289 ( -0.271 -3.189 -2.671) 4.168 12.289 ( -0.271 3.189 -2.671) 4.168 14.865 ( -6.139 -4.528 5.758) 9.558 14.865 ( -6.139 4.528 5.758) 9.558 15.261 ( 7.639 -1.103 -6.159) 9.875 15.261 ( 7.639 1.103 -6.159) 9.875 15.948 ( -1.713 -0.274 -0.500) 1.805 15.948 ( -1.713 0.274 -0.500) 1.805 17.372 ( -0.478 -0.579 0.373) 0.838 17.372 ( -0.478 0.579 0.373) 0.838 ======================= Grid point 284 (156/160) ======================= q-point: ( 0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -7.219 -3.755 -2.333) 8.465 2.306 ( -7.219 3.755 -2.333) 8.465 2.646 ( -11.068 -7.448 2.096) 13.504 2.646 ( -11.068 7.448 2.096) 13.504 2.916 ( -2.878 -3.490 0.061) 4.524 2.916 ( -2.878 3.490 0.061) 4.524 3.201 ( -4.337 -6.652 -1.983) 8.184 3.201 ( -4.337 6.652 -1.983) 8.184 4.040 ( -7.901 -2.521 4.630) 9.498 4.040 ( -7.901 2.521 4.630) 9.498 4.404 ( 1.356 -2.458 -1.883) 3.380 4.404 ( 1.356 2.458 -1.883) 3.380 4.648 ( 0.723 -2.403 3.507) 4.312 4.648 ( 0.723 2.403 3.507) 4.312 4.879 ( 2.040 -3.416 -0.561) 4.018 4.879 ( 2.040 3.416 -0.561) 4.018 5.172 ( -0.206 -4.590 0.371) 4.609 5.172 ( -0.206 4.590 0.371) 4.609 5.239 ( 2.180 -5.956 4.903) 8.017 5.239 ( 2.180 5.956 4.903) 8.017 5.487 ( 10.974 -1.091 3.409) 11.543 5.487 ( 10.974 1.091 3.409) 11.543 5.808 ( 2.414 -0.961 -1.899) 3.218 5.808 ( 2.414 0.961 -1.899) 3.218 6.179 ( 2.535 -6.761 -0.546) 7.241 6.179 ( 2.535 6.761 -0.546) 7.241 6.427 ( 3.757 -7.183 5.920) 10.038 6.427 ( 3.757 7.183 5.920) 10.038 6.511 ( -2.496 -5.627 -6.799) 9.172 6.511 ( -2.496 5.627 -6.799) 9.172 6.884 ( 5.023 -6.662 -4.811) 9.631 6.884 ( 5.023 6.662 -4.811) 9.631 7.284 ( -1.763 -2.803 3.077) 4.521 7.284 ( -1.763 2.803 3.077) 4.521 7.462 ( -3.890 -3.642 -1.674) 5.586 7.462 ( -3.890 3.642 -1.674) 5.586 7.613 ( 1.127 -0.664 -0.674) 1.472 7.613 ( 1.127 0.664 -0.674) 1.472 7.859 ( -1.390 -7.146 -4.297) 8.454 7.859 ( -1.390 7.146 -4.297) 8.454 8.308 ( 0.892 -6.265 2.449) 6.786 8.308 ( 0.892 6.265 2.449) 6.786 8.516 ( -2.830 -1.576 -2.822) 4.296 8.516 ( -2.830 1.576 -2.822) 4.296 9.436 ( 1.582 -9.156 2.359) 9.587 9.436 ( 1.582 9.156 2.359) 9.587 10.022 ( -0.216 -8.196 2.236) 8.499 10.022 ( -0.216 8.196 2.236) 8.499 11.488 ( 0.237 -2.304 -0.459) 2.361 11.488 ( 0.237 2.304 -0.459) 2.361 12.276 ( -0.602 -3.224 -2.702) 4.249 12.276 ( -0.602 3.224 -2.702) 4.249 14.769 ( -4.648 -4.803 3.907) 7.742 14.769 ( -4.648 4.803 3.907) 7.742 15.396 ( 7.238 -2.815 -3.950) 8.713 15.396 ( 7.238 2.815 -3.950) 8.713 15.906 ( -2.533 -0.876 -0.461) 2.720 15.906 ( -2.533 0.876 -0.461) 2.720 17.361 ( -0.745 -0.445 0.237) 0.900 17.361 ( -0.745 0.445 0.237) 0.900 ======================= Grid point 286 (157/160) ======================= q-point: ( 0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 0.850 -2.638 -1.058) 2.967 2.236 ( 0.850 2.638 -1.058) 2.967 2.385 ( -13.615 -6.363 0.476) 15.037 2.385 ( -13.615 6.363 0.476) 15.037 2.866 ( -2.725 -3.099 3.554) 5.446 2.866 ( -2.725 3.099 3.554) 5.446 3.218 ( 4.016 -2.567 -3.900) 6.159 3.218 ( 4.016 2.567 -3.900) 6.159 3.911 ( -4.838 -1.836 3.141) 6.053 3.911 ( -4.838 1.836 3.141) 6.053 4.424 ( 0.325 -3.400 -1.502) 3.731 4.424 ( 0.325 3.400 -1.502) 3.731 4.677 ( 1.417 -2.089 6.869) 7.318 4.677 ( 1.417 2.089 6.869) 7.318 4.903 ( 0.583 -4.638 -4.362) 6.393 4.903 ( 0.583 4.638 -4.362) 6.393 5.151 ( -2.007 -7.724 4.058) 8.953 5.151 ( -2.007 7.724 4.058) 8.953 5.286 ( 2.480 -7.917 1.650) 8.459 5.286 ( 2.480 7.917 1.650) 8.459 5.662 ( 5.326 -4.977 -0.261) 7.294 5.662 ( 5.326 4.977 -0.261) 7.294 5.859 ( 3.389 -5.427 -0.708) 6.438 5.859 ( 3.389 5.427 -0.708) 6.438 6.178 ( -1.171 -3.999 5.679) 7.043 6.178 ( -1.171 3.999 5.679) 7.043 6.402 ( -4.648 -5.347 -7.300) 10.173 6.402 ( -4.648 5.347 -7.300) 10.173 6.593 ( 8.242 -9.578 7.093) 14.491 6.593 ( 8.242 9.578 7.093) 14.491 6.903 ( -2.992 -7.040 -8.085) 11.130 6.903 ( -2.992 7.040 -8.085) 11.130 7.268 ( 0.469 -2.325 2.918) 3.760 7.268 ( 0.469 2.325 2.918) 3.760 7.407 ( -1.578 -3.255 -0.743) 3.692 7.407 ( -1.578 3.255 -0.743) 3.692 7.632 ( 1.329 -2.970 -0.993) 3.402 7.632 ( 1.329 2.970 -0.993) 3.402 7.825 ( -1.848 -5.460 -4.856) 7.537 7.825 ( -1.848 5.460 -4.856) 7.537 8.337 ( 1.894 -2.055 1.208) 3.045 8.337 ( 1.894 2.055 1.208) 3.045 8.461 ( -2.333 -2.042 -1.923) 3.648 8.461 ( -2.333 2.042 -1.923) 3.648 9.457 ( 0.284 -5.521 1.905) 5.847 9.457 ( 0.284 5.521 1.905) 5.847 10.031 ( 0.751 -5.174 2.108) 5.637 10.031 ( 0.751 5.174 2.108) 5.637 11.486 ( -0.409 -2.369 -0.147) 2.409 11.486 ( -0.409 2.369 -0.147) 2.409 12.262 ( -0.270 -2.782 -2.539) 3.776 12.262 ( -0.270 2.782 -2.539) 3.776 14.714 ( -1.759 -3.996 3.289) 5.466 14.714 ( -1.759 3.996 3.289) 5.466 15.494 ( 3.378 -3.758 -3.211) 5.987 15.494 ( 3.378 3.758 -3.211) 5.987 15.865 ( -1.248 -1.433 -0.783) 2.056 15.865 ( -1.248 1.433 -0.783) 2.056 17.349 ( -0.497 -0.690 0.365) 0.925 17.349 ( -0.497 0.690 0.365) 0.925 ======================= Grid point 288 (158/160) ======================= q-point: (-0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -4.710 -8.025 3.559) 9.963 2.188 ( -4.710 8.025 3.559) 9.963 2.378 ( 11.442 -6.024 1.246) 12.991 2.378 ( 11.442 6.024 1.246) 12.991 2.841 ( -0.484 -5.100 4.997) 7.156 2.841 ( -0.484 5.100 4.997) 7.156 3.262 ( 1.298 -5.661 -7.244) 9.285 3.262 ( 1.298 5.661 -7.244) 9.285 3.915 ( 4.944 -2.167 3.032) 6.192 3.915 ( 4.944 2.167 3.032) 6.192 4.409 ( -1.707 -3.380 -0.356) 3.803 4.409 ( -1.707 3.380 -0.356) 3.803 4.709 ( 0.354 -3.308 6.804) 7.574 4.709 ( 0.354 3.308 6.804) 7.574 4.876 ( -2.236 -4.037 -5.876) 7.471 4.876 ( -2.236 4.037 -5.876) 7.471 5.128 ( -1.296 -10.374 6.739) 12.438 5.128 ( -1.296 10.374 6.739) 12.438 5.334 ( 2.396 -9.557 -2.119) 10.079 5.334 ( 2.396 9.557 -2.119) 10.079 5.695 ( -1.023 -3.251 -3.764) 5.078 5.695 ( -1.023 3.251 -3.764) 5.078 5.845 ( -4.620 -2.596 0.213) 5.304 5.845 ( -4.620 2.596 0.214) 5.304 6.179 ( -2.914 -8.554 5.895) 10.790 6.179 ( -2.914 8.554 5.895) 10.790 6.346 ( 1.869 -2.607 -0.928) 3.339 6.346 ( 1.869 2.607 -0.928) 3.339 6.720 ( 1.584 -5.725 3.983) 7.152 6.720 ( 1.584 5.725 3.983) 7.152 6.785 ( -4.725 -8.086 -6.544) 11.425 6.785 ( -4.725 8.086 -6.544) 11.425 7.280 ( 0.095 -4.386 1.636) 4.683 7.280 ( 0.095 4.386 1.636) 4.683 7.415 ( 2.095 -2.850 -1.939) 4.033 7.415 ( 2.095 2.850 -1.939) 4.034 7.665 ( 2.471 -4.613 -2.171) 5.665 7.665 ( 2.471 4.613 -2.171) 5.665 7.777 ( -2.187 -2.453 -1.845) 3.769 7.777 ( -2.187 2.453 -1.845) 3.769 8.357 ( -0.532 -2.625 -0.842) 2.807 8.357 ( -0.532 2.625 -0.842) 2.807 8.449 ( 1.839 -1.693 -0.503) 2.550 8.449 ( 1.839 1.693 -0.503) 2.550 9.453 ( -1.004 -2.385 2.196) 3.394 9.453 ( -1.004 2.385 2.196) 3.394 10.052 ( 1.012 -2.822 0.244) 3.008 10.052 ( 1.012 2.822 0.244) 3.008 11.474 ( -0.918 -2.219 1.014) 2.607 11.474 ( -0.918 2.219 1.014) 2.607 12.260 ( 0.496 -2.369 -2.300) 3.339 12.260 ( 0.496 2.369 -2.300) 3.339 14.716 ( 1.351 -2.610 3.109) 4.278 14.716 ( 1.351 2.610 3.109) 4.278 15.494 ( -2.802 -3.052 -3.119) 5.186 15.494 ( -2.802 3.052 -3.119) 5.186 15.871 ( 1.936 -1.587 -1.351) 2.844 15.871 ( 1.936 1.587 -1.351) 2.844 17.346 ( 0.089 -1.198 0.671) 1.376 17.346 ( 0.089 1.199 0.671) 1.376 ======================= Grid point 290 (159/160) ======================= q-point: (-0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 5.039 -9.202 7.597) 12.953 2.204 ( 5.039 9.202 7.597) 12.953 2.604 ( 8.233 -7.320 5.350) 12.247 2.604 ( 8.233 7.320 5.350) 12.247 2.897 ( 7.649 -6.508 1.331) 10.131 2.897 ( 7.649 6.508 1.331) 10.131 3.274 ( 2.766 -11.057 -7.685) 13.746 3.274 ( 2.766 11.057 -7.685) 13.746 4.068 ( 9.291 -4.026 2.790) 10.503 4.068 ( 9.291 4.026 2.790) 10.503 4.361 ( -3.279 -3.036 0.998) 4.579 4.361 ( -3.279 3.036 0.998) 4.579 4.695 ( -2.927 -10.148 3.679) 11.184 4.695 ( -2.927 10.148 3.679) 11.184 4.844 ( 0.594 -1.796 -3.763) 4.212 4.844 ( 0.594 1.796 -3.763) 4.212 5.112 ( -2.343 -7.934 7.220) 10.981 5.112 ( -2.343 7.934 7.220) 10.981 5.348 ( -1.089 -9.312 -4.206) 10.275 5.348 ( -1.089 9.312 -4.206) 10.275 5.584 ( -7.687 -6.840 -5.845) 11.834 5.584 ( -7.687 6.840 -5.845) 11.834 5.792 ( -2.208 -6.279 -0.456) 6.672 5.792 ( -2.208 6.279 -0.456) 6.672 6.069 ( -7.560 -9.435 6.541) 13.746 6.069 ( -7.560 9.435 6.541) 13.746 6.416 ( 2.387 -2.685 5.391) 6.478 6.416 ( 2.387 2.685 5.391) 6.478 6.641 ( -2.205 -3.506 -13.517) 14.137 6.641 ( -2.205 3.506 -13.516) 14.137 6.770 ( -2.221 -4.879 5.370) 7.588 6.770 ( -2.221 4.879 5.370) 7.588 7.297 ( 1.123 -1.688 1.742) 2.673 7.297 ( 1.123 1.688 1.742) 2.673 7.449 ( 2.062 -2.059 -1.725) 3.386 7.449 ( 2.062 2.059 -1.725) 3.386 7.681 ( -0.955 -4.506 -5.240) 6.976 7.681 ( -0.955 4.506 -5.240) 6.976 7.779 ( 2.996 -7.453 2.661) 8.462 7.779 ( 2.996 7.453 2.661) 8.462 8.334 ( -1.284 -4.736 -0.289) 4.915 8.334 ( -1.284 4.736 -0.289) 4.915 8.502 ( 3.220 -3.425 -1.027) 4.812 8.502 ( 3.220 3.425 -1.027) 4.812 9.431 ( -1.737 -7.289 2.544) 7.913 9.431 ( -1.737 7.289 2.544) 7.913 10.064 ( 0.401 -6.856 -1.649) 7.063 10.064 ( 0.401 6.856 -1.649) 7.063 11.461 ( -0.671 -1.974 2.145) 2.991 11.461 ( -0.671 1.974 2.145) 2.991 12.271 ( 0.972 -2.275 -2.151) 3.278 12.271 ( 0.972 2.275 -2.151) 3.278 14.772 ( 3.997 -1.263 3.516) 5.471 14.772 ( 3.997 1.263 3.516) 5.471 15.398 ( -6.357 -2.356 -4.022) 7.883 15.398 ( -6.357 2.356 -4.022) 7.883 15.915 ( 2.687 -2.106 -1.470) 3.718 15.915 ( 2.687 2.106 -1.470) 3.718 17.354 ( 0.573 -1.555 0.916) 1.893 17.354 ( 0.573 1.555 0.916) 1.893 ======================= Grid point 292 (160/160) ======================= q-point: (-0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 8.876 -9.892 9.218) 16.174 2.359 ( 8.876 9.892 9.218) 16.174 2.653 ( -1.956 -5.645 7.099) 9.278 2.653 ( -1.956 5.645 7.099) 9.278 3.079 ( 8.245 -2.370 -6.384) 10.693 3.079 ( 8.245 2.370 -6.384) 10.693 3.382 ( 9.654 -8.621 -2.612) 13.204 3.382 ( 9.654 8.621 -2.612) 13.204 4.160 ( -2.494 -2.595 1.111) 3.767 4.160 ( -2.494 2.595 1.111) 3.767 4.362 ( 5.532 -5.294 4.410) 8.836 4.362 ( 5.532 5.294 4.410) 8.836 4.641 ( -2.907 -13.188 2.927) 13.819 4.641 ( -2.907 13.188 2.927) 13.819 4.872 ( 1.345 -4.215 -3.612) 5.712 4.872 ( 1.345 4.215 -3.612) 5.712 5.051 ( -4.207 -3.090 5.984) 7.941 5.051 ( -4.207 3.090 5.984) 7.941 5.274 ( -4.364 -7.927 -4.418) 10.070 5.274 ( -4.364 7.927 -4.418) 10.070 5.504 ( -0.037 -6.243 -6.253) 8.836 5.504 ( -0.037 6.243 -6.253) 8.836 5.657 ( -11.533 -5.765 -0.271) 12.896 5.657 ( -11.533 5.765 -0.271) 12.896 6.012 ( -0.039 -8.591 9.536) 12.835 6.012 ( -0.039 8.591 9.536) 12.835 6.438 ( 0.528 -3.519 -0.525) 3.597 6.438 ( 0.528 3.519 -0.525) 3.597 6.627 ( 1.025 -3.149 -8.346) 8.979 6.627 ( 1.025 3.149 -8.346) 8.979 6.714 ( -3.203 -2.531 0.850) 4.170 6.714 ( -3.203 2.531 0.850) 4.170 7.306 ( -0.443 -1.769 1.487) 2.353 7.306 ( -0.443 1.769 1.487) 2.353 7.487 ( 1.688 -5.114 0.670) 5.427 7.487 ( 1.688 5.114 0.670) 5.427 7.649 ( -1.077 -6.883 -2.884) 7.540 7.649 ( -1.077 6.883 -2.884) 7.540 7.856 ( 4.217 -6.680 0.126) 7.901 7.856 ( 4.217 6.680 0.126) 7.901 8.315 ( -0.937 -5.064 0.910) 5.230 8.315 ( -0.937 5.064 0.910) 5.230 8.550 ( 2.049 -3.385 -1.560) 4.253 8.550 ( 2.049 3.385 -1.560) 4.253 9.402 ( -1.650 -7.112 2.611) 7.754 9.402 ( -1.650 7.112 2.611) 7.754 10.061 ( -0.362 -6.418 -2.057) 6.749 10.061 ( -0.362 6.418 -2.057) 6.749 11.459 ( 0.058 -1.884 2.349) 3.012 11.459 ( 0.058 1.884 2.349) 3.012 12.285 ( 0.856 -2.365 -2.216) 3.352 12.285 ( 0.856 2.365 -2.216) 3.352 14.867 ( 4.996 -0.300 5.460) 7.407 14.867 ( 4.996 0.300 5.460) 7.407 15.264 ( -6.547 -2.480 -6.373) 9.468 15.264 ( -6.547 2.480 -6.373) 9.468 15.954 ( 1.567 -1.944 -1.166) 2.756 15.954 ( 1.567 1.944 -1.166) 2.756 17.367 ( 0.579 -1.471 0.907) 1.822 17.367 ( 0.579 1.471 0.907) 1.822 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30240 10.0 1006.945 543.133 905.293 0.000 -154.416 0.000 3/30240 20.0 142.202 197.791 214.555 0.000 -30.398 0.000 3/30240 30.0 55.416 86.266 77.772 0.000 -11.722 0.000 3/30240 40.0 29.892 47.305 39.336 0.000 -5.741 0.000 3/30240 50.0 18.830 29.807 23.841 0.000 -3.218 0.000 3/30240 60.0 13.147 20.729 16.278 0.000 -2.022 0.000 3/30240 70.0 9.888 15.511 12.083 0.000 -1.394 0.000 3/30240 80.0 7.853 12.254 9.522 0.000 -1.032 0.000 3/30240 90.0 6.493 10.080 7.834 0.000 -0.807 0.000 3/30240 100.0 5.531 8.547 6.654 0.000 -0.657 0.000 3/30240 110.0 4.820 7.417 5.787 0.000 -0.552 0.000 3/30240 120.0 4.274 6.552 5.126 0.000 -0.475 0.000 3/30240 130.0 3.844 5.872 4.606 0.000 -0.417 0.000 3/30240 140.0 3.495 5.322 4.186 0.000 -0.371 0.000 3/30240 150.0 3.207 4.870 3.840 0.000 -0.334 0.000 3/30240 160.0 2.965 4.491 3.549 0.000 -0.304 0.000 3/30240 170.0 2.758 4.168 3.302 0.000 -0.279 0.000 3/30240 180.0 2.580 3.891 3.088 0.000 -0.258 0.000 3/30240 190.0 2.424 3.649 2.902 0.000 -0.240 0.000 3/30240 200.0 2.287 3.437 2.738 0.000 -0.224 0.000 3/30240 210.0 2.165 3.249 2.592 0.000 -0.211 0.000 3/30240 220.0 2.056 3.081 2.461 0.000 -0.199 0.000 3/30240 230.0 1.958 2.931 2.344 0.000 -0.188 0.000 3/30240 240.0 1.869 2.794 2.238 0.000 -0.178 0.000 3/30240 250.0 1.789 2.671 2.141 0.000 -0.170 0.000 3/30240 260.0 1.715 2.558 2.053 0.000 -0.162 0.000 3/30240 270.0 1.647 2.455 1.972 0.000 -0.155 0.000 3/30240 280.0 1.584 2.360 1.897 0.000 -0.148 0.000 3/30240 290.0 1.526 2.272 1.828 0.000 -0.142 0.000 3/30240 300.0 1.473 2.191 1.764 0.000 -0.137 0.000 3/30240 310.0 1.423 2.115 1.704 0.000 -0.132 0.000 3/30240 320.0 1.376 2.045 1.648 0.000 -0.127 0.000 3/30240 330.0 1.333 1.979 1.596 0.000 -0.123 0.000 3/30240 340.0 1.292 1.917 1.548 0.000 -0.119 0.000 3/30240 350.0 1.254 1.860 1.502 0.000 -0.115 0.000 3/30240 360.0 1.218 1.805 1.459 0.000 -0.112 0.000 3/30240 370.0 1.184 1.754 1.418 0.000 -0.108 0.000 3/30240 380.0 1.152 1.706 1.379 0.000 -0.105 0.000 3/30240 390.0 1.121 1.660 1.343 0.000 -0.102 0.000 3/30240 400.0 1.092 1.617 1.309 0.000 -0.099 0.000 3/30240 410.0 1.065 1.576 1.276 0.000 -0.097 0.000 3/30240 420.0 1.039 1.537 1.245 0.000 -0.094 0.000 3/30240 430.0 1.014 1.500 1.215 0.000 -0.092 0.000 3/30240 440.0 0.991 1.465 1.187 0.000 -0.090 0.000 3/30240 450.0 0.968 1.432 1.160 0.000 -0.087 0.000 3/30240 460.0 0.947 1.400 1.134 0.000 -0.085 0.000 3/30240 470.0 0.926 1.369 1.110 0.000 -0.084 0.000 3/30240 480.0 0.906 1.340 1.086 0.000 -0.082 0.000 3/30240 490.0 0.888 1.312 1.064 0.000 -0.080 0.000 3/30240 500.0 0.870 1.285 1.042 0.000 -0.078 0.000 3/30240 510.0 0.852 1.259 1.021 0.000 -0.077 0.000 3/30240 520.0 0.836 1.234 1.001 0.000 -0.075 0.000 3/30240 530.0 0.820 1.210 0.982 0.000 -0.074 0.000 3/30240 540.0 0.804 1.187 0.964 0.000 -0.072 0.000 3/30240 550.0 0.789 1.165 0.946 0.000 -0.071 0.000 3/30240 560.0 0.775 1.144 0.929 0.000 -0.069 0.000 3/30240 570.0 0.761 1.124 0.912 0.000 -0.068 0.000 3/30240 580.0 0.748 1.104 0.897 0.000 -0.067 0.000 3/30240 590.0 0.735 1.085 0.881 0.000 -0.066 0.000 3/30240 600.0 0.723 1.066 0.866 0.000 -0.065 0.000 3/30240 610.0 0.711 1.049 0.852 0.000 -0.063 0.000 3/30240 620.0 0.699 1.031 0.838 0.000 -0.062 0.000 3/30240 630.0 0.688 1.015 0.825 0.000 -0.061 0.000 3/30240 640.0 0.677 0.999 0.812 0.000 -0.060 0.000 3/30240 650.0 0.667 0.983 0.799 0.000 -0.059 0.000 3/30240 660.0 0.656 0.968 0.787 0.000 -0.058 0.000 3/30240 670.0 0.647 0.953 0.775 0.000 -0.058 0.000 3/30240 680.0 0.637 0.939 0.764 0.000 -0.057 0.000 3/30240 690.0 0.628 0.925 0.752 0.000 -0.056 0.000 3/30240 700.0 0.619 0.912 0.742 0.000 -0.055 0.000 3/30240 710.0 0.610 0.899 0.731 0.000 -0.054 0.000 3/30240 720.0 0.601 0.886 0.721 0.000 -0.053 0.000 3/30240 730.0 0.593 0.874 0.711 0.000 -0.053 0.000 3/30240 740.0 0.585 0.862 0.701 0.000 -0.052 0.000 3/30240 750.0 0.577 0.851 0.692 0.000 -0.051 0.000 3/30240 760.0 0.569 0.839 0.683 0.000 -0.051 0.000 3/30240 770.0 0.562 0.828 0.674 0.000 -0.050 0.000 3/30240 780.0 0.555 0.818 0.665 0.000 -0.049 0.000 3/30240 790.0 0.548 0.807 0.657 0.000 -0.049 0.000 3/30240 800.0 0.541 0.797 0.648 0.000 -0.048 0.000 3/30240 810.0 0.534 0.787 0.640 0.000 -0.047 0.000 3/30240 820.0 0.528 0.777 0.632 0.000 -0.047 0.000 3/30240 830.0 0.521 0.768 0.625 0.000 -0.046 0.000 3/30240 840.0 0.515 0.759 0.617 0.000 -0.046 0.000 3/30240 850.0 0.509 0.750 0.610 0.000 -0.045 0.000 3/30240 860.0 0.503 0.741 0.603 0.000 -0.045 0.000 3/30240 870.0 0.497 0.732 0.596 0.000 -0.044 0.000 3/30240 880.0 0.491 0.724 0.589 0.000 -0.044 0.000 3/30240 890.0 0.486 0.716 0.582 0.000 -0.043 0.000 3/30240 900.0 0.480 0.708 0.576 0.000 -0.043 0.000 3/30240 910.0 0.475 0.700 0.570 0.000 -0.042 0.000 3/30240 920.0 0.470 0.692 0.563 0.000 -0.042 0.000 3/30240 930.0 0.465 0.685 0.557 0.000 -0.041 0.000 3/30240 940.0 0.460 0.677 0.551 0.000 -0.041 0.000 3/30240 950.0 0.455 0.670 0.546 0.000 -0.040 0.000 3/30240 960.0 0.450 0.663 0.540 0.000 -0.040 0.000 3/30240 970.0 0.446 0.656 0.534 0.000 -0.039 0.000 3/30240 980.0 0.441 0.650 0.529 0.000 -0.039 0.000 3/30240 990.0 0.437 0.643 0.523 0.000 -0.039 0.000 3/30240 1000.0 0.432 0.636 0.518 0.000 -0.038 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m789.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:16:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|