----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:00:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 8.053241040489912 0.000000000000000 0.000000000000000 b 0.000000000000000 6.719757710000000 0.000000000000000 c -1.152955724743963 0.000000000000000 6.606746752906375 Atomic positions (fractional): *1 O 0.38350291024991 0.41312507047910 0.84988239313637 15.999 2 O 0.61649708975009 0.91312507047910 0.65011760686363 15.999 3 O 0.61649708975009 0.58687492952090 0.15011760686363 15.999 4 O 0.38350291024991 0.08687492952090 0.34988239313637 15.999 *5 S 0.07602634834320 0.22123850959930 0.53027074284443 32.065 6 S 0.92397365165680 0.72123850959930 0.96972925715557 32.065 7 S 0.92397365165680 0.77876149040070 0.46972925715557 32.065 8 S 0.07602634834320 0.27876149040070 0.03027074284443 32.065 *9 S 0.68256475404620 0.13035533970068 0.07839606722427 32.065 10 S 0.31743524595380 0.63035533970068 0.42160393277573 32.065 11 S 0.31743524595380 0.86964466029932 0.92160393277573 32.065 12 S 0.68256475404620 0.36964466029932 0.57839606722427 32.065 *13 Tm 0.13765255630385 0.94656637244637 0.24899125940757 168.934 14 Tm 0.86234744369615 0.44656637244637 0.25100874059243 168.934 15 Tm 0.86234744369615 0.05343362755363 0.75100874059243 168.934 16 Tm 0.13765255630385 0.55343362755363 0.74899125940757 168.934 *17 Tm 0.57483500515327 0.85403601355762 0.32332938347475 168.934 18 Tm 0.42516499484673 0.35403601355761 0.17667061652525 168.934 19 Tm 0.42516499484673 0.14596398644239 0.67667061652525 168.934 20 Tm 0.57483500515327 0.64596398644238 0.82332938347475 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.053241040489912 0.000000000000000 0.000000000000000 b 0.000000000000000 6.719757710000000 0.000000000000000 c -1.152955724743963 0.000000000000000 6.606746752906375 Atomic positions (fractional): *1 O 0.38350291024991 0.41312507047910 0.84988239313637 15.999 > 1 2 O 0.61649708975009 0.91312507047910 0.65011760686363 15.999 > 2 3 O 0.61649708975009 0.58687492952090 0.15011760686363 15.999 > 3 4 O 0.38350291024991 0.08687492952090 0.34988239313637 15.999 > 4 *5 S 0.07602634834320 0.22123850959930 0.53027074284443 32.065 > 5 6 S 0.92397365165680 0.72123850959930 0.96972925715557 32.065 > 6 7 S 0.92397365165680 0.77876149040070 0.46972925715557 32.065 > 7 8 S 0.07602634834320 0.27876149040070 0.03027074284443 32.065 > 8 *9 S 0.68256475404620 0.13035533970068 0.07839606722427 32.065 > 9 10 S 0.31743524595380 0.63035533970068 0.42160393277573 32.065 > 10 11 S 0.31743524595380 0.86964466029932 0.92160393277573 32.065 > 11 12 S 0.68256475404620 0.36964466029932 0.57839606722427 32.065 > 12 *13 Tm 0.13765255630385 0.94656637244637 0.24899125940757 168.934 > 13 14 Tm 0.86234744369615 0.44656637244637 0.25100874059243 168.934 > 14 15 Tm 0.86234744369615 0.05343362755363 0.75100874059243 168.934 > 15 16 Tm 0.13765255630385 0.55343362755363 0.74899125940757 168.934 > 16 *17 Tm 0.57483500515327 0.85403601355762 0.32332938347475 168.934 > 17 18 Tm 0.42516499484673 0.35403601355761 0.17667061652525 168.934 > 18 19 Tm 0.42516499484673 0.14596398644239 0.67667061652525 168.934 > 19 20 Tm 0.57483500515327 0.64596398644238 0.82332938347475 168.934 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.053241040489912 0.000000000000000 0.000000000000000 b 0.000000000000000 13.439515419999999 0.000000000000000 c -2.305911449487926 0.000000000000000 13.213493505812750 Atomic positions (fractional): *1 O 0.38350291024991 0.20656253523955 0.42494119656818 15.999 > 1 2 O 0.38350291024991 0.70656253523955 0.42494119656818 15.999 > 1 3 O 0.38350291024991 0.20656253523955 0.92494119656818 15.999 > 1 4 O 0.38350291024991 0.70656253523955 0.92494119656818 15.999 > 1 5 O 0.61649708975009 0.45656253523955 0.32505880343182 15.999 > 2 6 O 0.61649708975009 0.95656253523955 0.32505880343182 15.999 > 2 7 O 0.61649708975009 0.45656253523955 0.82505880343182 15.999 > 2 8 O 0.61649708975009 0.95656253523955 0.82505880343182 15.999 > 2 9 O 0.61649708975009 0.29343746476045 0.07505880343182 15.999 > 3 10 O 0.61649708975009 0.79343746476045 0.07505880343182 15.999 > 3 11 O 0.61649708975009 0.29343746476045 0.57505880343182 15.999 > 3 12 O 0.61649708975009 0.79343746476045 0.57505880343182 15.999 > 3 13 O 0.38350291024991 0.04343746476045 0.17494119656818 15.999 > 4 14 O 0.38350291024991 0.54343746476045 0.17494119656818 15.999 > 4 15 O 0.38350291024991 0.04343746476045 0.67494119656818 15.999 > 4 16 O 0.38350291024991 0.54343746476045 0.67494119656818 15.999 > 4 *17 S 0.07602634834320 0.11061925479965 0.26513537142221 32.065 > 5 18 S 0.07602634834320 0.61061925479965 0.26513537142221 32.065 > 5 19 S 0.07602634834320 0.11061925479965 0.76513537142221 32.065 > 5 20 S 0.07602634834320 0.61061925479965 0.76513537142221 32.065 > 5 21 S 0.92397365165680 0.36061925479965 0.48486462857779 32.065 > 6 22 S 0.92397365165680 0.86061925479965 0.48486462857779 32.065 > 6 23 S 0.92397365165680 0.36061925479965 0.98486462857779 32.065 > 6 24 S 0.92397365165680 0.86061925479965 0.98486462857779 32.065 > 6 25 S 0.92397365165680 0.38938074520035 0.23486462857779 32.065 > 7 26 S 0.92397365165680 0.88938074520035 0.23486462857779 32.065 > 7 27 S 0.92397365165680 0.38938074520035 0.73486462857779 32.065 > 7 28 S 0.92397365165680 0.88938074520035 0.73486462857779 32.065 > 7 29 S 0.07602634834320 0.13938074520035 0.01513537142221 32.065 > 8 30 S 0.07602634834320 0.63938074520035 0.01513537142221 32.065 > 8 31 S 0.07602634834320 0.13938074520035 0.51513537142221 32.065 > 8 32 S 0.07602634834320 0.63938074520035 0.51513537142221 32.065 > 8 *33 S 0.68256475404620 0.06517766985034 0.03919803361214 32.065 > 9 34 S 0.68256475404620 0.56517766985034 0.03919803361214 32.065 > 9 35 S 0.68256475404620 0.06517766985034 0.53919803361214 32.065 > 9 36 S 0.68256475404620 0.56517766985034 0.53919803361214 32.065 > 9 37 S 0.31743524595380 0.31517766985034 0.21080196638786 32.065 > 10 38 S 0.31743524595380 0.81517766985034 0.21080196638786 32.065 > 10 39 S 0.31743524595380 0.31517766985034 0.71080196638786 32.065 > 10 40 S 0.31743524595380 0.81517766985034 0.71080196638786 32.065 > 10 41 S 0.31743524595380 0.43482233014966 0.46080196638786 32.065 > 11 42 S 0.31743524595380 0.93482233014966 0.46080196638786 32.065 > 11 43 S 0.31743524595380 0.43482233014966 0.96080196638786 32.065 > 11 44 S 0.31743524595380 0.93482233014966 0.96080196638786 32.065 > 11 45 S 0.68256475404620 0.18482233014966 0.28919803361214 32.065 > 12 46 S 0.68256475404620 0.68482233014966 0.28919803361214 32.065 > 12 47 S 0.68256475404620 0.18482233014966 0.78919803361214 32.065 > 12 48 S 0.68256475404620 0.68482233014966 0.78919803361214 32.065 > 12 *49 Tm 0.13765255630385 0.47328318622319 0.12449562970378 168.934 > 13 50 Tm 0.13765255630385 0.97328318622319 0.12449562970378 168.934 > 13 51 Tm 0.13765255630385 0.47328318622319 0.62449562970379 168.934 > 13 52 Tm 0.13765255630385 0.97328318622319 0.62449562970379 168.934 > 13 53 Tm 0.86234744369615 0.22328318622319 0.12550437029622 168.934 > 14 54 Tm 0.86234744369615 0.72328318622319 0.12550437029622 168.934 > 14 55 Tm 0.86234744369615 0.22328318622319 0.62550437029621 168.934 > 14 56 Tm 0.86234744369615 0.72328318622319 0.62550437029621 168.934 > 14 57 Tm 0.86234744369615 0.02671681377681 0.37550437029621 168.934 > 15 58 Tm 0.86234744369615 0.52671681377681 0.37550437029621 168.934 > 15 59 Tm 0.86234744369615 0.02671681377681 0.87550437029621 168.934 > 15 60 Tm 0.86234744369615 0.52671681377681 0.87550437029621 168.934 > 15 61 Tm 0.13765255630385 0.27671681377681 0.37449562970379 168.934 > 16 62 Tm 0.13765255630385 0.77671681377681 0.37449562970379 168.934 > 16 63 Tm 0.13765255630385 0.27671681377681 0.87449562970379 168.934 > 16 64 Tm 0.13765255630385 0.77671681377681 0.87449562970379 168.934 > 16 *65 Tm 0.57483500515327 0.42701800677881 0.16166469173738 168.934 > 17 66 Tm 0.57483500515327 0.92701800677881 0.16166469173738 168.934 > 17 67 Tm 0.57483500515327 0.42701800677881 0.66166469173738 168.934 > 17 68 Tm 0.57483500515327 0.92701800677881 0.66166469173738 168.934 > 17 69 Tm 0.42516499484673 0.17701800677881 0.08833530826262 168.934 > 18 70 Tm 0.42516499484673 0.67701800677881 0.08833530826262 168.934 > 18 71 Tm 0.42516499484673 0.17701800677881 0.58833530826262 168.934 > 18 72 Tm 0.42516499484673 0.67701800677881 0.58833530826262 168.934 > 18 73 Tm 0.42516499484673 0.07298199322119 0.33833530826262 168.934 > 19 74 Tm 0.42516499484673 0.57298199322119 0.33833530826262 168.934 > 19 75 Tm 0.42516499484673 0.07298199322119 0.83833530826262 168.934 > 19 76 Tm 0.42516499484673 0.57298199322119 0.83833530826262 168.934 > 19 77 Tm 0.57483500515327 0.32298199322119 0.41166469173738 168.934 > 20 78 Tm 0.57483500515327 0.82298199322119 0.41166469173738 168.934 > 20 79 Tm 0.57483500515327 0.32298199322119 0.91166469173738 168.934 > 20 80 Tm 0.57483500515327 0.82298199322119 0.91166469173738 168.934 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5600581 0.0000000 -0.2723061 0.0000000 6.7324852 0.0000000 -0.2723022 0.0000000 6.5733168 -------------------------- Born effective charges -------------------------- 1 O -3.0118947 0.1840392 0.1138157 0.2076536 -2.9532576 0.1580527 -0.0324855 0.1243129 -2.7802312 2 O -3.0118947 -0.1840392 0.1138157 -0.2076536 -2.9532576 -0.1580527 -0.0324855 -0.1243129 -2.7802312 3 O -3.0118947 0.1840392 0.1138157 0.2076536 -2.9532576 0.1580527 -0.0324855 0.1243129 -2.7802312 4 O -3.0118947 -0.1840392 0.1138157 -0.2076536 -2.9532576 -0.1580527 -0.0324855 -0.1243129 -2.7802312 5 S -2.2300019 0.2513662 -0.1075917 0.1345748 -2.6278274 -0.1549808 0.0000777 -0.3686276 -2.3502176 6 S -2.2300019 -0.2513662 -0.1075917 -0.1345748 -2.6278274 0.1549808 0.0000777 0.3686276 -2.3502176 7 S -2.2300019 0.2513662 -0.1075917 0.1345748 -2.6278274 -0.1549808 0.0000777 -0.3686276 -2.3502176 8 S -2.2300019 -0.2513662 -0.1075917 -0.1345748 -2.6278274 0.1549808 0.0000777 0.3686276 -2.3502176 9 S -2.5379772 -0.1744867 0.3960593 -0.1718165 -2.4074634 -0.1951672 0.2818890 -0.1759741 -2.4816640 10 S -2.5379772 0.1744867 0.3960593 0.1718165 -2.4074634 0.1951672 0.2818890 0.1759741 -2.4816640 11 S -2.5379772 -0.1744867 0.3960593 -0.1718165 -2.4074634 -0.1951672 0.2818890 -0.1759741 -2.4816640 12 S -2.5379772 0.1744867 0.3960593 0.1718165 -2.4074634 0.1951672 0.2818890 0.1759741 -2.4816640 13 Tm 3.7405999 -0.0753179 -0.0964810 0.1320172 4.1192413 -0.0171856 -0.1205184 -0.1409676 3.6303654 14 Tm 3.7405999 0.0753179 -0.0964810 -0.1320172 4.1192413 0.0171856 -0.1205184 0.1409676 3.6303654 15 Tm 3.7405999 -0.0753179 -0.0964810 0.1320172 4.1192413 -0.0171856 -0.1205184 -0.1409676 3.6303654 16 Tm 3.7405999 0.0753179 -0.0964810 -0.1320172 4.1192413 0.0171856 -0.1205184 0.1409676 3.6303654 17 Tm 4.0392739 -0.1573913 -0.3058023 -0.0980384 3.8693071 -0.0238233 -0.1289629 -0.0283509 3.9817474 18 Tm 4.0392739 0.1573913 -0.3058023 0.0980384 3.8693071 0.0238233 -0.1289629 0.0283509 3.9817474 19 Tm 4.0392739 -0.1573913 -0.3058023 -0.0980384 3.8693071 -0.0238233 -0.1289629 -0.0283509 3.9817474 20 Tm 4.0392739 0.1573913 -0.3058023 0.0980384 3.8693071 0.0238233 -0.1289629 0.0283509 3.9817474 ---------------------------------------------------------------------------- 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: 2.094 Solver_block: 200 / 640 - Time: 2.071 Solver_block: 300 / 640 - Time: 2.068 Solver_block: 400 / 640 - Time: 2.072 Solver_block: 500 / 640 - Time: 2.071 Solver_block: 600 / 640 - Time: 2.072 Solver_block: 640 / 640 - Time: 0.889 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.384 --------------------------------- 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 2026-01-07 23:01:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:01:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.053241040489912 0.000000000000000 0.000000000000000 b 0.000000000000000 6.719757710000000 0.000000000000000 c -1.152955724743963 0.000000000000000 6.606746752906375 Atomic positions (fractional): 1 O 0.38350291024991 0.41312507047910 0.84988239313637 15.999 2 O 0.61649708975009 0.91312507047910 0.65011760686363 15.999 3 O 0.61649708975009 0.58687492952090 0.15011760686363 15.999 4 O 0.38350291024991 0.08687492952090 0.34988239313637 15.999 5 S 0.07602634834320 0.22123850959930 0.53027074284443 32.065 6 S 0.92397365165680 0.72123850959930 0.96972925715557 32.065 7 S 0.92397365165680 0.77876149040070 0.46972925715557 32.065 8 S 0.07602634834320 0.27876149040070 0.03027074284443 32.065 9 S 0.68256475404620 0.13035533970068 0.07839606722427 32.065 10 S 0.31743524595380 0.63035533970068 0.42160393277573 32.065 11 S 0.31743524595380 0.86964466029932 0.92160393277573 32.065 12 S 0.68256475404620 0.36964466029932 0.57839606722427 32.065 13 Tm 0.13765255630385 0.94656637244637 0.24899125940757 168.934 14 Tm 0.86234744369615 0.44656637244637 0.25100874059243 168.934 15 Tm 0.86234744369615 0.05343362755363 0.75100874059243 168.934 16 Tm 0.13765255630385 0.55343362755363 0.74899125940757 168.934 17 Tm 0.57483500515327 0.85403601355762 0.32332938347475 168.934 18 Tm 0.42516499484673 0.35403601355761 0.17667061652525 168.934 19 Tm 0.42516499484673 0.14596398644239 0.67667061652525 168.934 20 Tm 0.57483500515327 0.64596398644238 0.82332938347475 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.053241040489912 0.000000000000000 0.000000000000000 b 0.000000000000000 13.439515419999999 0.000000000000000 c -2.305911449487926 0.000000000000000 13.213493505812750 Atomic positions (fractional): 1 O 0.38350291024991 0.20656253523955 0.42494119656818 15.999 > 1 2 O 0.38350291024991 0.70656253523955 0.42494119656818 15.999 > 1 3 O 0.38350291024991 0.20656253523955 0.92494119656818 15.999 > 1 4 O 0.38350291024991 0.70656253523955 0.92494119656818 15.999 > 1 5 O 0.61649708975009 0.45656253523955 0.32505880343182 15.999 > 5 6 O 0.61649708975009 0.95656253523955 0.32505880343182 15.999 > 5 7 O 0.61649708975009 0.45656253523955 0.82505880343182 15.999 > 5 8 O 0.61649708975009 0.95656253523955 0.82505880343182 15.999 > 5 9 O 0.61649708975009 0.29343746476045 0.07505880343182 15.999 > 9 10 O 0.61649708975009 0.79343746476045 0.07505880343182 15.999 > 9 11 O 0.61649708975009 0.29343746476045 0.57505880343182 15.999 > 9 12 O 0.61649708975009 0.79343746476045 0.57505880343182 15.999 > 9 13 O 0.38350291024991 0.04343746476045 0.17494119656818 15.999 > 13 14 O 0.38350291024991 0.54343746476045 0.17494119656818 15.999 > 13 15 O 0.38350291024991 0.04343746476045 0.67494119656818 15.999 > 13 16 O 0.38350291024991 0.54343746476045 0.67494119656818 15.999 > 13 17 S 0.07602634834320 0.11061925479965 0.26513537142221 32.065 > 17 18 S 0.07602634834320 0.61061925479965 0.26513537142221 32.065 > 17 19 S 0.07602634834320 0.11061925479965 0.76513537142221 32.065 > 17 20 S 0.07602634834320 0.61061925479965 0.76513537142221 32.065 > 17 21 S 0.92397365165680 0.36061925479965 0.48486462857779 32.065 > 21 22 S 0.92397365165680 0.86061925479965 0.48486462857779 32.065 > 21 23 S 0.92397365165680 0.36061925479965 0.98486462857779 32.065 > 21 24 S 0.92397365165680 0.86061925479965 0.98486462857779 32.065 > 21 25 S 0.92397365165680 0.38938074520035 0.23486462857779 32.065 > 25 26 S 0.92397365165680 0.88938074520035 0.23486462857779 32.065 > 25 27 S 0.92397365165680 0.38938074520035 0.73486462857779 32.065 > 25 28 S 0.92397365165680 0.88938074520035 0.73486462857779 32.065 > 25 29 S 0.07602634834320 0.13938074520035 0.01513537142221 32.065 > 29 30 S 0.07602634834320 0.63938074520035 0.01513537142221 32.065 > 29 31 S 0.07602634834320 0.13938074520035 0.51513537142221 32.065 > 29 32 S 0.07602634834320 0.63938074520035 0.51513537142221 32.065 > 29 33 S 0.68256475404620 0.06517766985034 0.03919803361214 32.065 > 33 34 S 0.68256475404620 0.56517766985034 0.03919803361214 32.065 > 33 35 S 0.68256475404620 0.06517766985034 0.53919803361214 32.065 > 33 36 S 0.68256475404620 0.56517766985034 0.53919803361214 32.065 > 33 37 S 0.31743524595380 0.31517766985034 0.21080196638786 32.065 > 37 38 S 0.31743524595380 0.81517766985034 0.21080196638786 32.065 > 37 39 S 0.31743524595380 0.31517766985034 0.71080196638786 32.065 > 37 40 S 0.31743524595380 0.81517766985034 0.71080196638786 32.065 > 37 41 S 0.31743524595380 0.43482233014966 0.46080196638786 32.065 > 41 42 S 0.31743524595380 0.93482233014966 0.46080196638786 32.065 > 41 43 S 0.31743524595380 0.43482233014966 0.96080196638786 32.065 > 41 44 S 0.31743524595380 0.93482233014966 0.96080196638786 32.065 > 41 45 S 0.68256475404620 0.18482233014966 0.28919803361214 32.065 > 45 46 S 0.68256475404620 0.68482233014966 0.28919803361214 32.065 > 45 47 S 0.68256475404620 0.18482233014966 0.78919803361214 32.065 > 45 48 S 0.68256475404620 0.68482233014966 0.78919803361214 32.065 > 45 49 Tm 0.13765255630385 0.47328318622319 0.12449562970378 168.934 > 49 50 Tm 0.13765255630385 0.97328318622319 0.12449562970378 168.934 > 49 51 Tm 0.13765255630385 0.47328318622319 0.62449562970379 168.934 > 49 52 Tm 0.13765255630385 0.97328318622319 0.62449562970379 168.934 > 49 53 Tm 0.86234744369615 0.22328318622319 0.12550437029622 168.934 > 53 54 Tm 0.86234744369615 0.72328318622319 0.12550437029622 168.934 > 53 55 Tm 0.86234744369615 0.22328318622319 0.62550437029621 168.934 > 53 56 Tm 0.86234744369615 0.72328318622319 0.62550437029621 168.934 > 53 57 Tm 0.86234744369615 0.02671681377681 0.37550437029621 168.934 > 57 58 Tm 0.86234744369615 0.52671681377681 0.37550437029621 168.934 > 57 59 Tm 0.86234744369615 0.02671681377681 0.87550437029621 168.934 > 57 60 Tm 0.86234744369615 0.52671681377681 0.87550437029621 168.934 > 57 61 Tm 0.13765255630385 0.27671681377681 0.37449562970379 168.934 > 61 62 Tm 0.13765255630385 0.77671681377681 0.37449562970379 168.934 > 61 63 Tm 0.13765255630385 0.27671681377681 0.87449562970379 168.934 > 61 64 Tm 0.13765255630385 0.77671681377681 0.87449562970379 168.934 > 61 65 Tm 0.57483500515327 0.42701800677881 0.16166469173738 168.934 > 65 66 Tm 0.57483500515327 0.92701800677881 0.16166469173738 168.934 > 65 67 Tm 0.57483500515327 0.42701800677881 0.66166469173738 168.934 > 65 68 Tm 0.57483500515327 0.92701800677881 0.66166469173738 168.934 > 65 69 Tm 0.42516499484673 0.17701800677881 0.08833530826262 168.934 > 69 70 Tm 0.42516499484673 0.67701800677881 0.08833530826262 168.934 > 69 71 Tm 0.42516499484673 0.17701800677881 0.58833530826262 168.934 > 69 72 Tm 0.42516499484673 0.67701800677881 0.58833530826262 168.934 > 69 73 Tm 0.42516499484673 0.07298199322119 0.33833530826262 168.934 > 73 74 Tm 0.42516499484673 0.57298199322119 0.33833530826262 168.934 > 73 75 Tm 0.42516499484673 0.07298199322119 0.83833530826262 168.934 > 73 76 Tm 0.42516499484673 0.57298199322119 0.83833530826262 168.934 > 73 77 Tm 0.57483500515327 0.32298199322119 0.41166469173738 168.934 > 77 78 Tm 0.57483500515327 0.82298199322119 0.41166469173738 168.934 > 77 79 Tm 0.57483500515327 0.32298199322119 0.91166469173738 168.934 > 77 80 Tm 0.57483500515327 0.82298199322119 0.91166469173738 168.934 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5600581 0.0000000 -0.2723061 0.0000000 6.7324852 0.0000000 -0.2723022 0.0000000 6.5733168 -------------------------- Born effective charges -------------------------- 1 O -3.0118947 0.1840392 0.1138157 0.2076536 -2.9532576 0.1580527 -0.0324855 0.1243129 -2.7802312 2 O -3.0118947 -0.1840392 0.1138157 -0.2076536 -2.9532576 -0.1580527 -0.0324855 -0.1243129 -2.7802312 3 O -3.0118947 0.1840392 0.1138157 0.2076536 -2.9532576 0.1580527 -0.0324855 0.1243129 -2.7802312 4 O -3.0118947 -0.1840392 0.1138157 -0.2076536 -2.9532576 -0.1580527 -0.0324855 -0.1243129 -2.7802312 5 S -2.2300019 0.2513662 -0.1075917 0.1345748 -2.6278274 -0.1549808 0.0000777 -0.3686276 -2.3502176 6 S -2.2300019 -0.2513662 -0.1075917 -0.1345748 -2.6278274 0.1549808 0.0000777 0.3686276 -2.3502176 7 S -2.2300019 0.2513662 -0.1075917 0.1345748 -2.6278274 -0.1549808 0.0000777 -0.3686276 -2.3502176 8 S -2.2300019 -0.2513662 -0.1075917 -0.1345748 -2.6278274 0.1549808 0.0000777 0.3686276 -2.3502176 9 S -2.5379772 -0.1744867 0.3960593 -0.1718165 -2.4074634 -0.1951672 0.2818890 -0.1759741 -2.4816640 10 S -2.5379772 0.1744867 0.3960593 0.1718165 -2.4074634 0.1951672 0.2818890 0.1759741 -2.4816640 11 S -2.5379772 -0.1744867 0.3960593 -0.1718165 -2.4074634 -0.1951672 0.2818890 -0.1759741 -2.4816640 12 S -2.5379772 0.1744867 0.3960593 0.1718165 -2.4074634 0.1951672 0.2818890 0.1759741 -2.4816640 13 Tm 3.7405999 -0.0753179 -0.0964810 0.1320172 4.1192413 -0.0171856 -0.1205184 -0.1409676 3.6303654 14 Tm 3.7405999 0.0753179 -0.0964810 -0.1320172 4.1192413 0.0171856 -0.1205184 0.1409676 3.6303654 15 Tm 3.7405999 -0.0753179 -0.0964810 0.1320172 4.1192413 -0.0171856 -0.1205184 -0.1409676 3.6303654 16 Tm 3.7405999 0.0753179 -0.0964810 -0.1320172 4.1192413 0.0171856 -0.1205184 0.1409676 3.6303654 17 Tm 4.0392739 -0.1573913 -0.3058023 -0.0980384 3.8693071 -0.0238233 -0.1289629 -0.0283509 3.9817474 18 Tm 4.0392739 0.1573913 -0.3058023 0.0980384 3.8693071 0.0238233 -0.1289629 0.0283509 3.9817474 19 Tm 4.0392739 -0.1573913 -0.3058023 -0.0980384 3.8693071 -0.0238233 -0.1289629 -0.0283509 3.9817474 20 Tm 4.0392739 0.1573913 -0.3058023 0.0980384 3.8693071 0.0238233 -0.1289629 0.0283509 3.9817474 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:01:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:01:36]------------------------- 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 8.053241040489912 0.000000000000000 0.000000000000000 b 0.000000000000000 6.719757710000000 0.000000000000000 c -1.152955724743963 0.000000000000000 6.606746752906375 Atomic positions (fractional): 1 O 0.38350291024991 0.41312507047910 0.84988239313637 15.999 2 O 0.61649708975009 0.91312507047910 0.65011760686363 15.999 3 O 0.61649708975009 0.58687492952090 0.15011760686363 15.999 4 O 0.38350291024991 0.08687492952090 0.34988239313637 15.999 5 S 0.07602634834320 0.22123850959930 0.53027074284443 32.065 6 S 0.92397365165680 0.72123850959930 0.96972925715557 32.065 7 S 0.92397365165680 0.77876149040070 0.46972925715557 32.065 8 S 0.07602634834320 0.27876149040070 0.03027074284443 32.065 9 S 0.68256475404620 0.13035533970068 0.07839606722427 32.065 10 S 0.31743524595380 0.63035533970068 0.42160393277573 32.065 11 S 0.31743524595380 0.86964466029932 0.92160393277573 32.065 12 S 0.68256475404620 0.36964466029932 0.57839606722427 32.065 13 Tm 0.13765255630385 0.94656637244637 0.24899125940757 168.934 14 Tm 0.86234744369615 0.44656637244637 0.25100874059243 168.934 15 Tm 0.86234744369615 0.05343362755363 0.75100874059243 168.934 16 Tm 0.13765255630385 0.55343362755363 0.74899125940757 168.934 17 Tm 0.57483500515327 0.85403601355762 0.32332938347475 168.934 18 Tm 0.42516499484673 0.35403601355761 0.17667061652525 168.934 19 Tm 0.42516499484673 0.14596398644239 0.67667061652525 168.934 20 Tm 0.57483500515327 0.64596398644238 0.82332938347475 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.053241040489912 0.000000000000000 0.000000000000000 b 0.000000000000000 13.439515419999999 0.000000000000000 c -2.305911449487926 0.000000000000000 13.213493505812750 Atomic positions (fractional): 1 O 0.38350291024991 0.20656253523955 0.42494119656818 15.999 > 1 2 O 0.38350291024991 0.70656253523955 0.42494119656818 15.999 > 1 3 O 0.38350291024991 0.20656253523955 0.92494119656818 15.999 > 1 4 O 0.38350291024991 0.70656253523955 0.92494119656818 15.999 > 1 5 O 0.61649708975009 0.45656253523955 0.32505880343182 15.999 > 5 6 O 0.61649708975009 0.95656253523955 0.32505880343182 15.999 > 5 7 O 0.61649708975009 0.45656253523955 0.82505880343182 15.999 > 5 8 O 0.61649708975009 0.95656253523955 0.82505880343182 15.999 > 5 9 O 0.61649708975009 0.29343746476045 0.07505880343182 15.999 > 9 10 O 0.61649708975009 0.79343746476045 0.07505880343182 15.999 > 9 11 O 0.61649708975009 0.29343746476045 0.57505880343182 15.999 > 9 12 O 0.61649708975009 0.79343746476045 0.57505880343182 15.999 > 9 13 O 0.38350291024991 0.04343746476045 0.17494119656818 15.999 > 13 14 O 0.38350291024991 0.54343746476045 0.17494119656818 15.999 > 13 15 O 0.38350291024991 0.04343746476045 0.67494119656818 15.999 > 13 16 O 0.38350291024991 0.54343746476045 0.67494119656818 15.999 > 13 17 S 0.07602634834320 0.11061925479965 0.26513537142221 32.065 > 17 18 S 0.07602634834320 0.61061925479965 0.26513537142221 32.065 > 17 19 S 0.07602634834320 0.11061925479965 0.76513537142221 32.065 > 17 20 S 0.07602634834320 0.61061925479965 0.76513537142221 32.065 > 17 21 S 0.92397365165680 0.36061925479965 0.48486462857779 32.065 > 21 22 S 0.92397365165680 0.86061925479965 0.48486462857779 32.065 > 21 23 S 0.92397365165680 0.36061925479965 0.98486462857779 32.065 > 21 24 S 0.92397365165680 0.86061925479965 0.98486462857779 32.065 > 21 25 S 0.92397365165680 0.38938074520035 0.23486462857779 32.065 > 25 26 S 0.92397365165680 0.88938074520035 0.23486462857779 32.065 > 25 27 S 0.92397365165680 0.38938074520035 0.73486462857779 32.065 > 25 28 S 0.92397365165680 0.88938074520035 0.73486462857779 32.065 > 25 29 S 0.07602634834320 0.13938074520035 0.01513537142221 32.065 > 29 30 S 0.07602634834320 0.63938074520035 0.01513537142221 32.065 > 29 31 S 0.07602634834320 0.13938074520035 0.51513537142221 32.065 > 29 32 S 0.07602634834320 0.63938074520035 0.51513537142221 32.065 > 29 33 S 0.68256475404620 0.06517766985034 0.03919803361214 32.065 > 33 34 S 0.68256475404620 0.56517766985034 0.03919803361214 32.065 > 33 35 S 0.68256475404620 0.06517766985034 0.53919803361214 32.065 > 33 36 S 0.68256475404620 0.56517766985034 0.53919803361214 32.065 > 33 37 S 0.31743524595380 0.31517766985034 0.21080196638786 32.065 > 37 38 S 0.31743524595380 0.81517766985034 0.21080196638786 32.065 > 37 39 S 0.31743524595380 0.31517766985034 0.71080196638786 32.065 > 37 40 S 0.31743524595380 0.81517766985034 0.71080196638786 32.065 > 37 41 S 0.31743524595380 0.43482233014966 0.46080196638786 32.065 > 41 42 S 0.31743524595380 0.93482233014966 0.46080196638786 32.065 > 41 43 S 0.31743524595380 0.43482233014966 0.96080196638786 32.065 > 41 44 S 0.31743524595380 0.93482233014966 0.96080196638786 32.065 > 41 45 S 0.68256475404620 0.18482233014966 0.28919803361214 32.065 > 45 46 S 0.68256475404620 0.68482233014966 0.28919803361214 32.065 > 45 47 S 0.68256475404620 0.18482233014966 0.78919803361214 32.065 > 45 48 S 0.68256475404620 0.68482233014966 0.78919803361214 32.065 > 45 49 Tm 0.13765255630385 0.47328318622319 0.12449562970378 168.934 > 49 50 Tm 0.13765255630385 0.97328318622319 0.12449562970378 168.934 > 49 51 Tm 0.13765255630385 0.47328318622319 0.62449562970379 168.934 > 49 52 Tm 0.13765255630385 0.97328318622319 0.62449562970379 168.934 > 49 53 Tm 0.86234744369615 0.22328318622319 0.12550437029622 168.934 > 53 54 Tm 0.86234744369615 0.72328318622319 0.12550437029622 168.934 > 53 55 Tm 0.86234744369615 0.22328318622319 0.62550437029621 168.934 > 53 56 Tm 0.86234744369615 0.72328318622319 0.62550437029621 168.934 > 53 57 Tm 0.86234744369615 0.02671681377681 0.37550437029621 168.934 > 57 58 Tm 0.86234744369615 0.52671681377681 0.37550437029621 168.934 > 57 59 Tm 0.86234744369615 0.02671681377681 0.87550437029621 168.934 > 57 60 Tm 0.86234744369615 0.52671681377681 0.87550437029621 168.934 > 57 61 Tm 0.13765255630385 0.27671681377681 0.37449562970379 168.934 > 61 62 Tm 0.13765255630385 0.77671681377681 0.37449562970379 168.934 > 61 63 Tm 0.13765255630385 0.27671681377681 0.87449562970379 168.934 > 61 64 Tm 0.13765255630385 0.77671681377681 0.87449562970379 168.934 > 61 65 Tm 0.57483500515327 0.42701800677881 0.16166469173738 168.934 > 65 66 Tm 0.57483500515327 0.92701800677881 0.16166469173738 168.934 > 65 67 Tm 0.57483500515327 0.42701800677881 0.66166469173738 168.934 > 65 68 Tm 0.57483500515327 0.92701800677881 0.66166469173738 168.934 > 65 69 Tm 0.42516499484673 0.17701800677881 0.08833530826262 168.934 > 69 70 Tm 0.42516499484673 0.67701800677881 0.08833530826262 168.934 > 69 71 Tm 0.42516499484673 0.17701800677881 0.58833530826262 168.934 > 69 72 Tm 0.42516499484673 0.67701800677881 0.58833530826262 168.934 > 69 73 Tm 0.42516499484673 0.07298199322119 0.33833530826262 168.934 > 73 74 Tm 0.42516499484673 0.57298199322119 0.33833530826262 168.934 > 73 75 Tm 0.42516499484673 0.07298199322119 0.83833530826262 168.934 > 73 76 Tm 0.42516499484673 0.57298199322119 0.83833530826262 168.934 > 73 77 Tm 0.57483500515327 0.32298199322119 0.41166469173738 168.934 > 77 78 Tm 0.57483500515327 0.82298199322119 0.41166469173738 168.934 > 77 79 Tm 0.57483500515327 0.32298199322119 0.91166469173738 168.934 > 77 80 Tm 0.57483500515327 0.82298199322119 0.91166469173738 168.934 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5600581 0.0000000 -0.2723061 0.0000000 6.7324852 0.0000000 -0.2723022 0.0000000 6.5733168 -------------------------- Born effective charges -------------------------- 1 O -3.0118947 0.1840392 0.1138157 0.2076536 -2.9532576 0.1580527 -0.0324855 0.1243129 -2.7802312 2 O -3.0118947 -0.1840392 0.1138157 -0.2076536 -2.9532576 -0.1580527 -0.0324855 -0.1243129 -2.7802312 3 O -3.0118947 0.1840392 0.1138157 0.2076536 -2.9532576 0.1580527 -0.0324855 0.1243129 -2.7802312 4 O -3.0118947 -0.1840392 0.1138157 -0.2076536 -2.9532576 -0.1580527 -0.0324855 -0.1243129 -2.7802312 5 S -2.2300019 0.2513662 -0.1075917 0.1345748 -2.6278274 -0.1549808 0.0000777 -0.3686276 -2.3502176 6 S -2.2300019 -0.2513662 -0.1075917 -0.1345748 -2.6278274 0.1549808 0.0000777 0.3686276 -2.3502176 7 S -2.2300019 0.2513662 -0.1075917 0.1345748 -2.6278274 -0.1549808 0.0000777 -0.3686276 -2.3502176 8 S -2.2300019 -0.2513662 -0.1075917 -0.1345748 -2.6278274 0.1549808 0.0000777 0.3686276 -2.3502176 9 S -2.5379772 -0.1744867 0.3960593 -0.1718165 -2.4074634 -0.1951672 0.2818890 -0.1759741 -2.4816640 10 S -2.5379772 0.1744867 0.3960593 0.1718165 -2.4074634 0.1951672 0.2818890 0.1759741 -2.4816640 11 S -2.5379772 -0.1744867 0.3960593 -0.1718165 -2.4074634 -0.1951672 0.2818890 -0.1759741 -2.4816640 12 S -2.5379772 0.1744867 0.3960593 0.1718165 -2.4074634 0.1951672 0.2818890 0.1759741 -2.4816640 13 Tm 3.7405999 -0.0753179 -0.0964810 0.1320172 4.1192413 -0.0171856 -0.1205184 -0.1409676 3.6303654 14 Tm 3.7405999 0.0753179 -0.0964810 -0.1320172 4.1192413 0.0171856 -0.1205184 0.1409676 3.6303654 15 Tm 3.7405999 -0.0753179 -0.0964810 0.1320172 4.1192413 -0.0171856 -0.1205184 -0.1409676 3.6303654 16 Tm 3.7405999 0.0753179 -0.0964810 -0.1320172 4.1192413 0.0171856 -0.1205184 0.1409676 3.6303654 17 Tm 4.0392739 -0.1573913 -0.3058023 -0.0980384 3.8693071 -0.0238233 -0.1289629 -0.0283509 3.9817474 18 Tm 4.0392739 0.1573913 -0.3058023 0.0980384 3.8693071 0.0238233 -0.1289629 0.0283509 3.9817474 19 Tm 4.0392739 -0.1573913 -0.3058023 -0.0980384 3.8693071 -0.0238233 -0.1289629 -0.0283509 3.9817474 20 Tm 4.0392739 0.1573913 -0.3058023 0.0980384 3.8693071 0.0238233 -0.1289629 0.0283509 3.9817474 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (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 ... [ 6 7 8 ] 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: 0.59, Number of G-points: 301, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 7.009 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 8.045 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.588 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.794 ( 0.000 0.000 0.000) 0.000 9.290 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 11.973 ( 0.000 0.000 0.000) 0.000 12.109 ( 0.000 0.000 0.000) 0.000 12.161 ( 0.000 0.000 0.000) 0.000 12.363 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.152 ( 0.000 0.000 0.000) 0.000 13.226 ( 0.000 0.000 0.000) 0.000 13.389 ( 0.000 0.000 0.000) 0.000 14.312 ( 0.000 0.000 0.000) 0.000 14.384 ( 0.000 0.000 0.000) 0.000 14.819 ( 0.000 0.000 0.000) 0.000 16.218 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.17 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 23.857 0.000 -2.078) 23.948 0.552 ( 26.016 0.000 1.143) 26.041 0.824 ( 38.692 0.000 -2.135) 38.751 1.924 ( 1.523 0.000 1.770) 2.335 1.958 ( 0.818 0.000 1.161) 1.420 2.179 ( -14.110 0.000 -0.649) 14.125 2.395 ( 2.406 0.000 0.877) 2.561 2.653 ( -15.015 0.000 2.639) 15.245 2.654 ( 7.909 0.000 1.628) 8.075 2.907 ( 3.495 0.000 2.620) 4.368 2.934 ( -2.581 0.000 -0.992) 2.765 3.046 ( 0.207 0.000 -0.625) 0.658 3.265 ( 3.432 0.000 1.988) 3.966 3.350 ( -14.504 0.000 -1.566) 14.588 3.358 ( -0.595 0.000 -2.230) 2.308 3.525 ( -3.184 0.000 2.858) 4.278 3.889 ( 5.377 0.000 -5.579) 7.749 4.012 ( 14.735 0.000 -3.188) 15.076 4.173 ( -4.617 0.000 -0.646) 4.662 4.270 ( -1.682 0.000 7.392) 7.581 4.449 ( -6.376 0.000 0.542) 6.399 4.764 ( 2.531 0.000 0.764) 2.644 4.909 ( -1.545 0.000 25.134) 25.182 5.147 ( -5.963 0.000 -3.375) 6.851 5.387 ( -1.089 0.000 -1.117) 1.560 5.402 ( -1.583 0.000 -1.549) 2.215 5.784 ( -3.006 0.000 -0.022) 3.006 6.071 ( 1.798 0.000 -0.178) 1.807 6.268 ( 0.847 0.000 1.749) 1.943 6.357 ( -0.554 0.000 4.329) 4.364 6.432 ( 3.429 0.000 3.176) 4.674 6.719 ( -3.739 0.000 2.477) 4.485 6.819 ( 0.271 0.000 -1.534) 1.558 6.925 ( -4.340 0.000 0.039) 4.340 7.155 ( -7.057 0.000 -1.613) 7.239 7.235 ( 9.108 0.000 -5.696) 10.742 7.312 ( -1.187 0.000 -3.803) 3.984 7.481 ( -1.670 0.000 18.715) 18.789 7.491 ( 8.269 0.000 -0.910) 8.319 8.046 ( -0.334 0.000 1.122) 1.171 8.096 ( 4.252 0.000 -23.991) 24.365 8.176 ( 0.850 0.000 -1.967) 2.143 8.571 ( -1.433 0.000 -1.228) 1.887 8.584 ( -1.499 0.000 -0.026) 1.499 8.796 ( 0.036 0.000 0.639) 0.640 8.929 ( 3.050 0.000 -21.584) 21.799 9.313 ( 1.522 0.000 2.039) 2.544 9.496 ( -0.054 0.000 -2.825) 2.826 11.962 ( -0.846 0.000 -0.303) 0.899 12.102 ( -0.747 0.000 0.230) 0.782 12.169 ( 0.759 0.000 -0.181) 0.780 12.443 ( 3.456 0.000 -18.962) 19.275 13.059 ( 0.554 0.000 -0.307) 0.634 13.150 ( -0.358 0.000 1.292) 1.341 13.229 ( 0.266 0.000 -0.612) 0.667 14.154 ( -0.082 0.000 -5.522) 5.523 14.402 ( 1.560 0.000 -0.079) 1.562 14.825 ( 0.657 0.000 -0.605) 0.893 15.086 ( -4.947 0.000 24.333) 24.831 16.216 ( -0.129 0.000 -0.275) 0.304 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.33 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 23.087 0.000 -2.059) 23.178 1.071 ( 23.191 0.000 0.707) 23.201 1.543 ( 29.815 0.000 -2.445) 29.915 1.828 ( -17.930 0.000 4.068) 18.385 1.901 ( -5.683 0.000 0.101) 5.684 2.001 ( 0.856 0.000 -1.749) 1.947 2.333 ( -11.883 0.000 2.641) 12.173 2.521 ( 5.883 0.000 1.849) 6.166 2.788 ( 3.309 0.000 1.473) 3.622 2.869 ( -2.554 0.000 -1.407) 2.916 3.003 ( 3.876 0.000 4.450) 5.901 3.059 ( 0.660 0.000 1.962) 2.070 3.060 ( -11.728 0.000 -1.491) 11.823 3.238 ( -3.937 0.000 -4.026) 5.631 3.351 ( -0.625 0.000 -0.597) 0.865 3.448 ( -4.922 0.000 3.374) 5.968 4.018 ( 8.735 0.000 -7.833) 11.732 4.047 ( -3.235 0.000 -4.821) 5.806 4.226 ( -0.672 0.000 3.872) 3.930 4.311 ( -7.361 0.000 3.852) 8.308 4.356 ( 12.245 0.000 2.318) 12.462 4.796 ( 0.370 0.000 0.201) 0.421 4.867 ( -9.475 0.000 3.788) 10.204 5.079 ( 1.322 0.000 4.025) 4.237 5.343 ( -2.187 0.000 -2.627) 3.418 5.375 ( -0.181 0.000 -1.677) 1.686 5.711 ( -3.451 0.000 0.299) 3.463 6.112 ( 1.875 0.000 -0.147) 1.881 6.301 ( 1.170 0.000 2.291) 2.572 6.362 ( -0.061 0.000 1.240) 1.241 6.518 ( 3.370 0.000 3.358) 4.758 6.658 ( -2.588 0.000 0.904) 2.741 6.800 ( -1.291 0.000 -0.528) 1.394 6.858 ( -2.205 0.000 0.248) 2.219 7.025 ( -4.530 0.000 -1.993) 4.949 7.271 ( -1.131 0.000 -3.558) 3.734 7.381 ( 4.998 0.000 0.051) 4.998 7.522 ( 1.593 0.000 3.472) 3.820 7.646 ( 6.534 0.000 -1.158) 6.636 8.035 ( -1.080 0.000 1.098) 1.540 8.104 ( 1.081 0.000 -2.088) 2.351 8.189 ( 0.829 0.000 -1.527) 1.738 8.526 ( -1.998 0.000 -1.994) 2.823 8.547 ( -1.780 0.000 -0.069) 1.781 8.800 ( 0.018 0.000 0.955) 0.956 8.912 ( 0.737 0.000 -8.605) 8.636 9.351 ( 1.036 0.000 2.214) 2.444 9.488 ( 0.398 0.000 -3.115) 3.140 11.944 ( -0.623 0.000 -0.211) 0.658 12.084 ( -0.874 0.000 0.175) 0.891 12.186 ( 0.778 0.000 -0.175) 0.797 12.446 ( 1.212 0.000 -6.156) 6.274 13.070 ( 0.562 0.000 -0.318) 0.646 13.148 ( -0.284 0.000 1.144) 1.179 13.231 ( 0.135 0.000 -0.506) 0.523 14.130 ( -0.712 0.000 -1.955) 2.081 14.437 ( 1.551 0.000 -0.056) 1.552 14.838 ( 0.744 0.000 -0.774) 1.074 15.069 ( -2.299 0.000 8.775) 9.071 16.211 ( -0.134 0.000 -0.279) 0.309 ======================= Grid point 3 (4/104) ======================= q-point: (-0.50 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 0.000 -0.000) 0.000 1.422 ( -0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 -0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 -0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 -0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.072 ( -0.000 0.000 -0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.158 ( -0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 -0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.594 ( -0.000 0.000 -0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 -0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 -0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 -0.000) 0.000 6.971 ( -0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 -0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 -0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.525 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 -0.000) 0.000 9.365 ( 0.000 0.000 -0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 11.938 ( 0.000 0.000 0.000) 0.000 12.074 ( 0.000 0.000 -0.000) 0.000 12.195 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 13.076 ( 0.000 0.000 0.000) 0.000 13.147 ( 0.000 0.000 -0.000) 0.000 13.231 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 -0.000) 0.000 14.454 ( 0.000 0.000 -0.000) 0.000 14.845 ( 0.000 0.000 0.000) 0.000 15.060 ( 0.000 0.000 0.000) 0.000 16.209 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 0.000 26.210 0.000) 26.210 0.593 ( 0.000 27.093 0.000) 27.093 0.994 ( 0.000 45.422 0.000) 45.422 1.944 ( 0.000 3.097 0.000) 3.097 2.068 ( 0.000 10.449 0.000) 10.449 2.378 ( 0.000 0.426 0.000) 0.426 2.424 ( 0.000 1.312 0.000) 1.312 2.449 ( 0.000 -1.505 0.000) 1.505 2.755 ( 0.000 -8.361 0.000) 8.361 2.861 ( 0.000 0.971 0.000) 0.971 2.939 ( 0.000 -2.862 0.000) 2.862 2.976 ( 0.000 -9.302 0.000) 9.302 3.137 ( 0.000 -0.960 0.000) 0.960 3.338 ( 0.000 -0.124 0.000) 0.124 3.584 ( 0.000 1.283 0.000) 1.283 3.708 ( 0.000 -6.272 0.000) 6.272 3.757 ( 0.000 10.677 0.000) 10.677 3.810 ( 0.000 0.149 0.000) 0.149 4.138 ( 0.000 -7.142 0.000) 7.142 4.222 ( 0.000 -2.877 0.000) 2.877 4.466 ( 0.000 -5.403 0.000) 5.403 4.697 ( 0.000 -0.126 0.000) 0.126 4.904 ( 0.000 12.749 0.000) 12.749 5.101 ( 0.000 -9.578 0.000) 9.578 5.280 ( 0.000 -4.957 0.000) 4.957 5.527 ( 0.000 4.278 0.000) 4.278 5.740 ( 0.000 -5.997 0.000) 5.997 6.004 ( 0.000 0.799 0.000) 0.799 6.051 ( 0.000 0.044 0.000) 0.044 6.253 ( 0.000 -0.797 0.000) 0.797 6.572 ( 0.000 -0.858 0.000) 0.858 6.573 ( 0.000 5.765 0.000) 5.765 6.780 ( 0.000 -1.650 0.000) 1.650 7.006 ( 0.000 -13.947 0.000) 13.947 7.041 ( 0.000 2.549 0.000) 2.549 7.146 ( 0.000 -1.676 0.000) 1.676 7.267 ( 0.000 -0.769 0.000) 0.769 7.556 ( 0.000 7.293 0.000) 7.293 7.600 ( 0.000 7.091 0.000) 7.091 8.032 ( 0.000 -0.023 0.000) 0.023 8.180 ( 0.000 0.720 0.000) 0.720 8.455 ( 0.000 -3.226 0.000) 3.226 8.496 ( 0.000 -0.408 0.000) 0.408 8.615 ( 0.000 1.037 0.000) 1.037 8.705 ( 0.000 3.433 0.000) 3.433 8.763 ( 0.000 -1.712 0.000) 1.712 9.516 ( 0.000 1.117 0.000) 1.117 9.607 ( 0.000 -0.547 0.000) 0.547 12.104 ( 0.000 -0.406 0.000) 0.406 12.146 ( 0.000 -1.158 0.000) 1.158 12.369 ( 0.000 0.590 0.000) 0.590 12.528 ( 0.000 4.233 0.000) 4.233 12.974 ( 0.000 -6.428 0.000) 6.428 13.236 ( 0.000 -0.020 0.000) 0.020 13.381 ( 0.000 0.189 0.000) 0.189 13.940 ( 0.000 6.933 0.000) 6.933 14.339 ( 0.000 2.323 0.000) 2.323 14.536 ( 0.000 -15.293 0.000) 15.293 15.208 ( 0.000 14.351 0.000) 14.351 16.189 ( 0.000 -2.713 0.000) 2.713 ======================= Grid point 8 (6/104) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 11.364 18.740 0.151) 21.917 0.752 ( 15.783 19.160 -0.271) 24.825 1.327 ( 23.694 32.286 -1.060) 40.061 1.964 ( 1.215 3.572 1.842) 4.198 2.074 ( -1.766 8.724 2.946) 9.375 2.186 ( -10.482 2.004 -2.893) 11.057 2.385 ( 1.449 -1.047 0.674) 1.910 2.626 ( -1.326 -1.060 3.665) 4.039 2.665 ( -5.028 -0.169 0.208) 5.035 2.813 ( 4.259 -7.117 2.626) 8.700 2.920 ( -1.798 -2.281 1.279) 3.174 3.015 ( 2.103 -2.328 -1.149) 3.341 3.215 ( 3.160 -3.366 1.906) 4.995 3.305 ( -4.363 -0.845 -5.554) 7.113 3.383 ( -8.830 1.497 -0.657) 8.980 3.670 ( -4.178 9.755 3.125) 11.063 3.793 ( 3.835 -7.906 -5.808) 10.533 4.034 ( 10.227 0.675 -5.712) 11.734 4.082 ( -0.568 -5.939 4.788) 7.650 4.226 ( -0.834 -3.528 4.429) 5.724 4.443 ( -2.685 -2.844 0.361) 3.928 4.796 ( 1.518 -5.039 9.926) 11.235 4.902 ( 0.284 8.526 2.330) 8.843 5.034 ( -4.286 -7.886 -1.553) 9.109 5.278 ( -0.341 -4.478 -1.519) 4.741 5.502 ( -0.999 4.663 -2.318) 5.302 5.754 ( -1.804 -3.701 0.931) 4.221 6.052 ( 0.642 -1.518 -1.129) 1.998 6.173 ( 10.278 -6.924 0.905) 12.426 6.275 ( 2.615 -0.734 0.901) 2.862 6.512 ( -2.119 4.864 3.113) 6.151 6.607 ( -0.873 -2.667 1.629) 3.244 6.768 ( -1.136 -2.211 -0.563) 2.549 6.954 ( -3.781 -6.594 -0.632) 7.627 6.995 ( -2.813 -0.933 0.296) 2.978 7.175 ( 1.889 -7.806 -5.578) 9.778 7.357 ( 7.983 4.849 -1.613) 9.479 7.560 ( -1.141 4.934 8.430) 9.834 7.618 ( 2.233 6.383 -2.175) 7.104 8.039 ( 0.111 0.586 0.686) 0.909 8.143 ( -0.550 0.366 -4.312) 4.362 8.355 ( -6.949 9.174 0.205) 11.510 8.532 ( 2.037 -3.461 -1.943) 4.461 8.609 ( -0.453 1.377 0.429) 1.512 8.754 ( 2.631 -3.922 -5.759) 7.448 8.798 ( 3.100 -1.605 -0.950) 3.618 9.443 ( -4.291 3.642 -3.909) 6.853 9.560 ( -1.156 3.612 -1.410) 4.046 12.091 ( -1.033 0.061 -0.648) 1.221 12.155 ( 0.362 -0.425 0.641) 0.850 12.217 ( -10.227 11.550 6.297) 16.663 12.457 ( 2.176 1.680 -18.699) 18.900 12.941 ( -0.207 -5.283 -1.589) 5.521 13.237 ( -0.341 0.380 -0.708) 0.872 13.379 ( -0.969 10.354 6.766) 12.407 14.063 ( 4.627 -5.605 1.582) 7.438 14.276 ( -0.591 -3.491 -10.606) 11.181 14.693 ( 5.829 -17.534 10.155) 21.084 15.161 ( -4.146 15.360 7.224) 17.473 16.217 ( 1.568 -1.646 -1.109) 2.529 ======================= Grid point 9 (7/104) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 20.207 4.173 -1.081) 20.662 1.136 ( 20.033 10.311 0.043) 22.531 1.685 ( 2.762 7.958 -0.961) 8.478 1.838 ( -15.563 1.999 1.887) 15.804 2.033 ( 6.977 9.883 1.516) 12.192 2.142 ( 1.227 11.839 -1.164) 11.959 2.377 ( -4.929 4.922 1.974) 7.240 2.510 ( 5.137 -0.317 1.291) 5.306 2.764 ( 2.775 -2.463 1.831) 4.137 2.878 ( -1.541 0.948 1.211) 2.177 2.914 ( 2.468 -8.504 2.272) 9.142 3.058 ( 2.097 2.645 1.636) 3.752 3.081 ( -10.258 1.134 -2.514) 10.622 3.219 ( -1.824 -0.927 -0.973) 2.266 3.337 ( -0.165 -0.243 -2.803) 2.819 3.575 ( -5.417 8.255 2.184) 10.112 3.813 ( -0.755 -10.358 -6.739) 12.381 4.023 ( 2.423 -6.682 -1.502) 7.264 4.207 ( -1.163 -2.240 3.414) 4.245 4.332 ( 10.591 -2.425 1.552) 10.975 4.366 ( -3.892 1.438 1.445) 4.393 4.750 ( -5.975 -7.326 -1.191) 9.528 4.889 ( -2.368 5.858 2.137) 6.671 5.034 ( 3.064 -3.354 5.625) 7.230 5.244 ( -2.046 -4.555 -3.341) 6.008 5.479 ( -0.272 5.461 -2.320) 5.939 5.691 ( -3.587 -1.845 0.842) 4.121 6.072 ( 1.409 -3.362 -0.701) 3.712 6.285 ( 1.748 -1.565 3.050) 3.848 6.370 ( 3.351 -0.300 0.487) 3.400 6.522 ( 2.131 1.244 2.196) 3.303 6.576 ( -1.533 -4.921 1.011) 5.253 6.724 ( -2.795 -3.723 -0.249) 4.662 6.888 ( -2.126 -3.882 -0.993) 4.536 6.938 ( -2.404 -0.097 -0.051) 2.406 7.182 ( 0.741 -7.586 -4.370) 8.786 7.511 ( 4.673 9.041 0.166) 10.179 7.586 ( 2.603 2.646 2.970) 4.754 7.670 ( 3.501 1.803 -2.017) 4.424 8.017 ( -3.095 0.863 2.655) 4.168 8.145 ( 1.444 0.062 -2.595) 2.971 8.231 ( -4.585 4.053 1.259) 6.248 8.552 ( 0.865 1.806 -1.359) 2.420 8.596 ( -0.993 3.641 0.257) 3.783 8.774 ( 0.826 -2.450 -1.399) 2.940 8.832 ( 1.101 -3.724 -4.255) 5.761 9.390 ( -0.511 2.776 -0.390) 2.850 9.543 ( -0.169 3.365 -1.900) 3.868 12.060 ( -1.459 5.592 -0.665) 5.818 12.098 ( -2.634 4.426 1.669) 5.414 12.179 ( 0.835 -0.497 -0.284) 1.012 12.450 ( 1.103 0.355 -6.290) 6.396 12.945 ( 0.621 -5.142 -0.795) 5.240 13.222 ( -0.702 -0.917 -0.373) 1.213 13.386 ( -0.326 13.974 3.816) 14.489 14.109 ( 0.309 -2.968 0.521) 3.029 14.257 ( 1.067 -9.667 -4.965) 10.920 14.792 ( 2.049 -17.856 3.164) 18.249 15.117 ( -2.185 16.612 4.796) 17.428 16.234 ( 0.489 0.308 -0.680) 0.892 ======================= Grid point 10 (8/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 -6.861 -0.000) 6.861 1.432 ( -0.000 5.649 0.000) 5.649 1.522 ( -0.000 1.866 0.000) 1.866 1.549 ( 0.000 8.150 -0.000) 8.150 2.112 ( -0.000 2.202 -0.000) 2.202 2.142 ( 0.000 11.940 0.000) 11.940 2.441 ( -0.000 21.086 0.000) 21.086 2.586 ( 0.000 -2.665 -0.000) 2.665 2.762 ( 0.000 -1.145 0.000) 1.145 2.858 ( 0.000 1.752 -0.000) 1.752 2.915 ( 0.000 -4.144 0.000) 4.144 2.976 ( 0.000 -5.444 0.000) 5.444 3.108 ( -0.000 4.028 -0.000) 4.028 3.184 ( 0.000 2.726 0.000) 2.726 3.324 ( 0.000 -0.575 0.000) 0.575 3.507 ( 0.000 7.574 -0.000) 7.574 3.777 ( 0.000 -12.227 0.000) 12.227 4.074 ( 0.000 -8.873 0.000) 8.873 4.201 ( 0.000 -1.923 0.000) 1.923 4.298 ( 0.000 3.536 -0.000) 3.536 4.504 ( -0.000 -6.946 -0.000) 6.946 4.635 ( 0.000 -3.780 0.000) 3.780 4.864 ( 0.000 6.652 0.000) 6.652 5.101 ( 0.000 -1.779 0.000) 1.779 5.197 ( 0.000 -5.755 0.000) 5.755 5.474 ( 0.000 5.388 0.000) 5.388 5.649 ( 0.000 -1.505 -0.000) 1.505 6.089 ( 0.000 -3.858 0.000) 3.858 6.309 ( 0.000 -0.753 0.000) 0.753 6.395 ( 0.000 2.734 -0.000) 2.734 6.550 ( 0.000 -3.247 0.000) 3.247 6.586 ( 0.000 -2.619 0.000) 2.619 6.678 ( 0.000 -5.210 0.000) 5.210 6.863 ( 0.000 -3.676 0.000) 3.676 6.911 ( 0.000 1.185 0.000) 1.185 7.181 ( 0.000 -6.677 0.000) 6.677 7.543 ( 0.000 7.677 -0.000) 7.677 7.635 ( 0.000 1.801 0.000) 1.801 7.730 ( 0.000 5.043 0.000) 5.043 7.966 ( 0.000 -2.560 0.000) 2.560 8.169 ( 0.000 -1.864 -0.000) 1.864 8.178 ( -0.000 3.370 0.000) 3.370 8.567 ( -0.000 2.411 0.000) 2.411 8.574 ( 0.000 6.328 -0.000) 6.328 8.780 ( 0.000 -1.995 0.000) 1.995 8.832 ( 0.000 -3.987 -0.000) 3.987 9.389 ( 0.000 2.091 0.000) 2.091 9.538 ( 0.000 3.110 0.000) 3.110 12.043 ( 0.000 8.654 0.000) 8.654 12.076 ( 0.000 0.279 -0.000) 0.279 12.188 ( 0.000 -0.508 -0.000) 0.508 12.451 ( 0.000 0.208 -0.000) 0.208 12.951 ( 0.000 -4.950 0.000) 4.950 13.213 ( 0.000 -1.678 0.000) 1.678 13.390 ( 0.000 14.827 -0.000) 14.827 14.109 ( 0.000 -1.682 -0.000) 1.682 14.263 ( 0.000 -11.550 0.000) 11.550 14.817 ( 0.000 -18.479 0.000) 18.479 15.103 ( 0.000 17.659 0.000) 17.659 16.237 ( 0.000 0.920 0.000) 0.920 ======================= Grid point 14 (9/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 24.274 0.000) 24.274 1.137 ( 0.000 23.769 0.000) 23.769 1.869 ( 0.000 32.492 0.000) 32.492 1.991 ( 0.000 -0.217 0.000) 0.217 2.304 ( 0.000 8.969 0.000) 8.969 2.387 ( 0.000 0.330 0.000) 0.330 2.419 ( 0.000 -0.768 0.000) 0.768 2.456 ( 0.000 2.662 0.000) 2.662 2.582 ( 0.000 -4.287 0.000) 4.287 2.755 ( 0.000 -9.638 0.000) 9.638 2.876 ( 0.000 -0.089 0.000) 0.089 2.910 ( 0.000 1.633 0.000) 1.633 3.143 ( 0.000 1.878 0.000) 1.878 3.389 ( 0.000 4.790 0.000) 4.790 3.488 ( 0.000 -12.514 0.000) 12.514 3.596 ( 0.000 -0.802 0.000) 0.802 3.808 ( 0.000 -2.879 0.000) 2.879 3.989 ( 0.000 7.400 0.000) 7.400 4.023 ( 0.000 0.604 0.000) 0.604 4.092 ( 0.000 -9.763 0.000) 9.763 4.341 ( 0.000 -6.035 0.000) 6.035 4.616 ( 0.000 -9.225 0.000) 9.225 4.903 ( 0.000 -5.665 0.000) 5.665 5.021 ( 0.000 -3.226 0.000) 3.226 5.330 ( 0.000 8.791 0.000) 8.791 5.606 ( 0.000 -5.992 0.000) 5.992 5.622 ( 0.000 6.314 0.000) 6.314 6.009 ( 0.000 -0.084 0.000) 0.084 6.050 ( 0.000 -0.337 0.000) 0.337 6.211 ( 0.000 -3.571 0.000) 3.571 6.564 ( 0.000 0.163 0.000) 0.163 6.657 ( 0.000 -0.572 0.000) 0.572 6.763 ( 0.000 -7.962 0.000) 7.962 6.805 ( 0.000 6.106 0.000) 6.106 6.989 ( 0.000 -9.410 0.000) 9.410 7.092 ( 0.000 1.651 0.000) 1.651 7.364 ( 0.000 5.956 0.000) 5.956 7.606 ( 0.000 -1.829 0.000) 1.829 7.780 ( 0.000 9.936 0.000) 9.936 8.045 ( 0.000 1.273 0.000) 1.273 8.189 ( 0.000 -0.179 0.000) 0.179 8.428 ( 0.000 -1.080 0.000) 1.080 8.521 ( 0.000 3.201 0.000) 3.201 8.634 ( 0.000 0.573 0.000) 0.573 8.645 ( 0.000 -4.554 0.000) 4.554 8.791 ( 0.000 0.576 0.000) 0.576 9.543 ( 0.000 1.174 0.000) 1.174 9.593 ( 0.000 -0.708 0.000) 0.708 12.097 ( 0.000 -0.194 0.000) 0.194 12.122 ( 0.000 -0.933 0.000) 0.933 12.392 ( 0.000 1.725 0.000) 1.725 12.615 ( 0.000 2.044 0.000) 2.044 12.844 ( 0.000 -3.496 0.000) 3.496 13.179 ( 0.000 -5.110 0.000) 5.110 13.450 ( 0.000 6.259 0.000) 6.259 14.064 ( 0.000 -0.381 0.000) 0.381 14.265 ( 0.000 -5.610 0.000) 5.610 14.392 ( 0.000 2.120 0.000) 2.120 15.496 ( 0.000 12.631 0.000) 12.631 16.100 ( 0.000 -5.709 0.000) 5.709 ======================= Grid point 15 (10/104) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 1.896 23.380 -0.707) 23.468 1.202 ( 8.599 21.818 -0.674) 23.461 1.932 ( 1.127 15.843 1.830) 15.988 2.060 ( 7.592 6.599 1.343) 10.148 2.168 ( -13.206 2.248 -0.704) 13.414 2.330 ( -3.350 1.786 2.038) 4.309 2.364 ( 3.951 5.204 1.037) 6.616 2.616 ( 5.633 -1.922 3.217) 6.765 2.653 ( -5.371 0.324 1.022) 5.477 2.667 ( 5.441 -1.219 -1.407) 5.751 2.905 ( -0.438 2.041 2.275) 3.088 2.960 ( 5.959 -1.597 1.232) 6.291 3.168 ( 1.370 -0.842 -0.072) 1.610 3.313 ( -7.582 -0.331 -6.221) 9.813 3.419 ( -1.433 2.094 -2.316) 3.436 3.606 ( 2.008 -7.698 -5.705) 9.790 3.848 ( -2.575 2.361 1.646) 3.862 3.938 ( -4.931 -2.462 1.596) 5.738 4.060 ( 8.486 -0.246 -1.691) 8.656 4.117 ( 0.016 -6.675 4.963) 8.318 4.347 ( -0.077 -5.047 -0.071) 5.048 4.598 ( -2.714 -13.000 0.642) 13.296 4.903 ( 1.013 -2.547 1.264) 3.018 5.028 ( -0.150 -1.602 1.722) 2.357 5.303 ( -2.204 7.804 -1.479) 8.243 5.577 ( -0.825 1.144 1.732) 2.233 5.669 ( 1.711 -1.133 -2.953) 3.596 6.018 ( -1.544 -1.678 -2.812) 3.620 6.095 ( 7.072 -1.539 -0.541) 7.258 6.249 ( 3.034 -2.410 2.102) 4.408 6.544 ( -2.411 -0.441 3.820) 4.539 6.624 ( -2.937 -0.375 0.492) 3.001 6.745 ( -1.793 -5.157 0.047) 5.460 6.787 ( -1.571 3.209 0.271) 3.583 6.974 ( -0.509 -8.873 -3.046) 9.395 7.065 ( -2.038 1.374 0.837) 2.597 7.448 ( 7.012 3.657 -0.526) 7.926 7.611 ( 0.088 -1.019 1.969) 2.219 7.779 ( 0.322 9.943 -1.996) 10.147 8.065 ( 1.256 1.664 0.520) 2.149 8.151 ( -1.830 0.404 -2.555) 3.168 8.396 ( -3.788 -3.811 -0.251) 5.379 8.552 ( -0.118 4.678 1.774) 5.005 8.630 ( 1.789 1.177 -0.170) 2.148 8.662 ( 1.889 -4.582 1.563) 5.197 8.814 ( 1.796 0.981 -1.816) 2.736 9.501 ( -2.391 2.309 -3.180) 4.600 9.593 ( -0.181 -0.006 -0.410) 0.449 12.091 ( -0.274 0.146 -0.466) 0.560 12.136 ( 1.106 -0.915 -0.056) 1.436 12.373 ( -3.664 3.911 7.272) 9.033 12.522 ( -3.464 3.290 -12.761) 13.626 12.850 ( 0.848 -2.285 -0.623) 2.516 13.201 ( -0.287 -4.801 2.988) 5.662 13.501 ( 3.512 4.149 7.186) 9.011 14.071 ( 0.498 -0.235 0.295) 0.624 14.168 ( -3.788 -3.620 -14.648) 15.557 14.450 ( 1.097 -4.187 9.837) 10.747 15.486 ( -0.998 14.255 2.290) 14.472 16.136 ( 2.860 -5.766 -0.883) 6.497 ======================= Grid point 16 (11/104) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 8.451 16.586 -0.948) 18.639 1.429 ( 12.709 15.690 -1.367) 20.238 1.853 ( -10.880 8.655 -1.176) 13.952 1.907 ( -9.085 3.667 2.643) 10.147 2.163 ( -2.279 2.050 2.015) 3.669 2.308 ( 2.423 -4.432 0.950) 5.139 2.489 ( 5.534 8.429 3.470) 10.664 2.627 ( 2.442 3.024 4.530) 5.969 2.711 ( 4.060 -1.327 -1.457) 4.513 2.765 ( 3.786 2.500 -1.222) 4.699 2.904 ( -0.532 1.018 3.009) 3.221 3.098 ( -6.203 0.018 -1.865) 6.478 3.126 ( 6.308 3.448 -0.373) 7.199 3.217 ( 2.055 1.695 1.792) 3.211 3.386 ( -0.890 4.546 -6.292) 7.813 3.570 ( -3.908 -4.813 -9.036) 10.958 3.799 ( 0.253 -1.895 -1.457) 2.403 3.845 ( -4.912 -0.348 5.432) 7.332 4.124 ( -0.081 -5.411 3.489) 6.439 4.245 ( 5.972 -5.808 1.075) 8.399 4.313 ( -2.199 -5.350 -0.327) 5.794 4.522 ( -3.321 -13.121 -1.406) 13.608 4.959 ( 2.669 -2.378 3.538) 5.029 5.028 ( 0.276 1.463 0.532) 1.581 5.234 ( -3.497 6.433 -2.218) 7.651 5.578 ( -0.104 2.785 2.914) 4.032 5.654 ( -1.414 -0.212 -3.971) 4.220 5.988 ( -0.189 -4.261 -1.575) 4.547 6.239 ( 4.995 -2.097 2.131) 5.822 6.339 ( 5.020 -2.206 -0.549) 5.511 6.500 ( -2.852 -2.201 3.070) 4.733 6.561 ( -2.805 -0.756 0.308) 2.922 6.698 ( -2.327 1.140 0.759) 2.700 6.754 ( -1.328 -2.833 -0.577) 3.181 6.963 ( 0.548 -5.101 -2.529) 5.720 7.029 ( -1.746 -2.350 0.438) 2.961 7.590 ( 4.731 0.005 -0.957) 4.827 7.626 ( 0.936 0.138 3.185) 3.322 7.798 ( 3.850 10.263 -4.909) 12.010 8.054 ( -3.842 1.894 3.593) 5.591 8.133 ( 0.812 -0.603 -2.712) 2.895 8.289 ( -5.199 0.753 1.226) 5.394 8.545 ( -0.159 -2.146 0.631) 2.243 8.661 ( 1.140 -0.606 -0.600) 1.424 8.730 ( 2.675 1.656 1.918) 3.685 8.833 ( 0.751 2.346 -2.719) 3.668 9.455 ( -0.913 3.173 -1.607) 3.672 9.583 ( -0.312 0.381 -1.158) 1.259 12.087 ( 0.114 0.778 -0.447) 0.904 12.160 ( 1.041 -0.788 -0.102) 1.309 12.293 ( -4.628 8.444 3.707) 10.318 12.460 ( 0.219 0.520 -6.825) 6.848 12.870 ( 1.100 -1.618 -0.652) 2.062 13.178 ( -1.853 -3.756 1.135) 4.339 13.612 ( 3.398 5.262 9.514) 11.391 14.046 ( -2.926 -4.637 -11.404) 12.653 14.085 ( 0.629 -3.303 -0.752) 3.445 14.483 ( -0.311 -8.421 5.175) 9.889 15.480 ( -0.272 16.296 1.783) 16.395 16.184 ( 1.771 -4.988 -0.638) 5.332 ======================= Grid point 17 (12/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 7.509 0.000) 7.509 1.628 ( -0.000 11.167 -0.000) 11.167 1.677 ( -0.000 9.710 0.000) 9.710 1.751 ( 0.000 10.644 -0.000) 10.644 2.118 ( 0.000 -0.751 0.000) 0.751 2.339 ( 0.000 -2.986 -0.000) 2.986 2.573 ( 0.000 8.735 -0.000) 8.735 2.674 ( 0.000 -6.016 -0.000) 6.016 2.771 ( 0.000 -6.807 0.000) 6.807 2.800 ( -0.000 7.627 0.000) 7.627 2.943 ( -0.000 1.743 -0.000) 1.743 2.951 ( 0.000 5.281 0.000) 5.281 3.233 ( 0.000 6.697 0.000) 6.697 3.255 ( 0.000 2.062 -0.000) 2.062 3.372 ( 0.000 7.719 0.000) 7.719 3.478 ( 0.000 -6.461 0.000) 6.461 3.755 ( 0.000 8.365 -0.000) 8.365 3.846 ( -0.000 -11.165 0.000) 11.165 4.144 ( 0.000 -3.188 0.000) 3.188 4.219 ( 0.000 -8.312 -0.000) 8.312 4.356 ( 0.000 -7.847 0.000) 7.847 4.479 ( 0.000 -10.770 0.000) 10.770 4.993 ( 0.000 0.252 0.000) 0.252 5.051 ( 0.000 -2.831 -0.000) 2.831 5.176 ( 0.000 8.180 0.000) 8.180 5.587 ( 0.000 5.445 0.000) 5.445 5.620 ( 0.000 -1.434 0.000) 1.434 5.987 ( 0.000 -5.395 0.000) 5.395 6.296 ( 0.000 -0.295 0.000) 0.295 6.405 ( 0.000 -4.033 0.000) 4.033 6.473 ( 0.000 -1.203 0.000) 1.203 6.522 ( 0.000 -3.403 0.000) 3.403 6.674 ( 0.000 4.247 0.000) 4.247 6.737 ( 0.000 -4.976 0.000) 4.976 6.972 ( 0.000 1.573 0.000) 1.573 7.003 ( 0.000 -9.008 0.000) 9.008 7.617 ( 0.000 -0.650 0.000) 0.650 7.654 ( 0.000 1.895 -0.000) 1.895 7.898 ( 0.000 7.750 -0.000) 7.750 7.959 ( -0.000 2.053 0.000) 2.053 8.138 ( 0.000 -0.598 0.000) 0.598 8.236 ( 0.000 2.188 -0.000) 2.188 8.546 ( 0.000 -3.765 0.000) 3.765 8.672 ( 0.000 -1.617 0.000) 1.617 8.764 ( 0.000 4.123 -0.000) 4.123 8.831 ( 0.000 3.069 0.000) 3.069 9.446 ( 0.000 3.019 0.000) 3.019 9.577 ( 0.000 0.416 0.000) 0.416 12.089 ( 0.000 0.987 0.000) 0.987 12.172 ( 0.000 -0.588 -0.000) 0.588 12.248 ( 0.000 8.957 0.000) 8.957 12.452 ( 0.000 -0.118 -0.000) 0.118 12.882 ( 0.000 -1.401 0.000) 1.401 13.158 ( 0.000 -3.763 0.000) 3.763 13.674 ( 0.000 9.041 -0.000) 9.041 13.986 ( 0.000 -10.187 -0.000) 10.187 14.091 ( 0.000 -2.260 0.000) 2.260 14.487 ( 0.000 -9.767 0.000) 9.767 15.482 ( 0.000 17.019 0.000) 17.019 16.202 ( 0.000 -4.487 0.000) 4.487 ======================= Grid point 21 (13/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 18.479 0.000) 18.479 1.607 ( 0.000 20.839 0.000) 20.839 1.879 ( 0.000 -10.288 0.000) 10.288 1.993 ( 0.000 -13.719 0.000) 13.719 2.401 ( 0.000 1.279 0.000) 1.279 2.408 ( 0.000 1.066 0.000) 1.066 2.424 ( 0.000 1.169 0.000) 1.169 2.497 ( 0.000 -4.979 0.000) 4.979 2.691 ( 0.000 8.843 0.000) 8.843 2.836 ( 0.000 -4.129 0.000) 4.129 2.890 ( 0.000 23.560 0.000) 23.560 3.015 ( 0.000 9.204 0.000) 9.204 3.155 ( 0.000 -6.124 0.000) 6.124 3.260 ( 0.000 -5.403 0.000) 5.403 3.519 ( 0.000 -0.781 0.000) 0.781 3.569 ( 0.000 8.128 0.000) 8.128 3.624 ( 0.000 -13.411 0.000) 13.411 3.834 ( 0.000 -13.455 0.000) 13.455 4.037 ( 0.000 4.935 0.000) 4.935 4.186 ( 0.000 -8.301 0.000) 8.301 4.215 ( 0.000 8.980 0.000) 8.980 4.395 ( 0.000 -8.954 0.000) 8.954 4.870 ( 0.000 1.097 0.000) 1.097 4.927 ( 0.000 -4.077 0.000) 4.077 5.447 ( 0.000 2.625 0.000) 2.625 5.503 ( 0.000 -3.484 0.000) 3.484 5.841 ( 0.000 12.614 0.000) 12.614 6.011 ( 0.000 0.384 0.000) 0.384 6.032 ( 0.000 -1.170 0.000) 1.170 6.082 ( 0.000 -8.819 0.000) 8.819 6.572 ( 0.000 0.674 0.000) 0.674 6.608 ( 0.000 -2.591 0.000) 2.591 6.697 ( 0.000 1.655 0.000) 1.655 6.799 ( 0.000 -7.222 0.000) 7.222 6.972 ( 0.000 7.299 0.000) 7.299 7.085 ( 0.000 -2.822 0.000) 2.822 7.466 ( 0.000 3.599 0.000) 3.599 7.537 ( 0.000 -3.554 0.000) 3.554 8.006 ( 0.000 9.693 0.000) 9.693 8.075 ( 0.000 1.105 0.000) 1.105 8.180 ( 0.000 0.719 0.000) 0.719 8.316 ( 0.000 -9.051 0.000) 9.051 8.609 ( 0.000 0.784 0.000) 0.784 8.615 ( 0.000 2.802 0.000) 2.802 8.648 ( 0.000 2.810 0.000) 2.810 8.751 ( 0.000 -4.109 0.000) 4.109 9.563 ( 0.000 0.786 0.000) 0.786 9.578 ( 0.000 -0.664 0.000) 0.664 12.097 ( 0.000 0.259 0.000) 0.259 12.107 ( 0.000 -0.588 0.000) 0.588 12.451 ( 0.000 3.932 0.000) 3.932 12.556 ( 0.000 -5.482 0.000) 5.482 12.895 ( 0.000 6.345 0.000) 6.345 13.045 ( 0.000 -7.113 0.000) 7.113 13.626 ( 0.000 10.018 0.000) 10.018 13.865 ( 0.000 -12.122 0.000) 12.122 14.333 ( 0.000 5.340 0.000) 5.340 14.406 ( 0.000 -1.240 0.000) 1.240 15.744 ( 0.000 10.663 0.000) 10.663 15.948 ( 0.000 -8.484 0.000) 8.484 ======================= Grid point 22 (14/104) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 1.501 18.642 -0.883) 18.723 1.645 ( 4.332 19.026 -1.388) 19.563 1.918 ( 2.218 -9.669 0.618) 9.939 2.005 ( 1.966 -12.242 -1.379) 12.476 2.248 ( -10.353 3.920 0.049) 11.070 2.321 ( -7.163 -2.166 2.228) 7.808 2.448 ( 0.935 1.861 5.656) 6.027 2.513 ( 0.132 -4.427 5.116) 6.767 2.763 ( 3.906 7.874 1.572) 8.929 2.847 ( 1.522 4.340 0.825) 4.672 2.978 ( 2.853 3.736 -2.019) 5.116 3.012 ( 1.281 5.441 -0.545) 5.616 3.175 ( 5.084 4.167 -1.056) 6.658 3.274 ( -0.801 1.004 -5.214) 5.370 3.454 ( -1.122 -5.347 -2.194) 5.888 3.496 ( -1.438 -0.323 -4.318) 4.562 3.760 ( 3.699 -3.904 -0.168) 5.381 3.876 ( 4.993 -8.505 -1.180) 9.932 4.008 ( -2.022 1.863 4.466) 5.244 4.096 ( -5.339 -0.985 2.044) 5.801 4.257 ( 0.792 -0.903 -0.991) 1.557 4.351 ( -3.827 -8.053 -1.436) 9.031 4.894 ( 1.775 1.339 1.543) 2.707 4.951 ( 1.711 -3.802 1.329) 4.376 5.441 ( -0.577 4.177 -0.216) 4.222 5.519 ( 1.034 -3.767 1.461) 4.171 5.800 ( -2.198 9.703 -3.619) 10.586 5.962 ( -3.445 -4.545 -4.017) 6.976 6.090 ( 6.117 1.380 0.308) 6.279 6.164 ( 4.973 -4.962 1.858) 7.267 6.542 ( -3.114 0.505 2.328) 3.921 6.576 ( -2.980 -2.578 1.058) 4.080 6.691 ( -0.312 1.609 -0.847) 1.845 6.792 ( -0.357 -7.263 -1.468) 7.418 6.936 ( -3.291 7.337 2.196) 8.336 7.053 ( -3.016 -3.161 1.936) 4.779 7.512 ( 3.987 2.450 -0.526) 4.709 7.563 ( 2.225 -2.587 -0.414) 3.438 8.008 ( 0.598 10.036 -3.165) 10.540 8.098 ( 2.076 0.783 -1.010) 2.438 8.158 ( -2.188 1.030 -0.616) 2.495 8.277 ( -2.290 -7.611 -1.211) 8.040 8.580 ( -2.669 -0.577 3.148) 4.167 8.591 ( -2.306 -1.281 3.405) 4.307 8.715 ( 5.448 5.077 -0.242) 7.451 8.799 ( 3.550 -2.459 -0.957) 4.424 9.545 ( -1.001 1.806 -2.038) 2.901 9.577 ( -0.131 -1.231 -0.923) 1.544 12.100 ( 0.382 0.680 -0.386) 0.870 12.117 ( 0.944 -0.882 -0.270) 1.320 12.444 ( -1.002 3.512 1.812) 4.077 12.522 ( -2.376 -3.080 -3.066) 4.953 12.894 ( 0.067 6.031 0.275) 6.037 13.053 ( -0.068 -8.014 2.738) 8.469 13.636 ( 0.931 8.579 1.318) 8.729 13.856 ( -0.450 -11.835 -2.576) 12.121 14.290 ( -3.102 6.979 -2.016) 7.899 14.396 ( -1.534 -3.011 2.202) 4.033 15.760 ( 1.274 11.575 0.864) 11.677 15.978 ( 2.517 -8.943 -0.105) 9.291 ======================= Grid point 23 (15/104) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 2.883 17.934 -1.527) 18.228 1.753 ( 5.840 13.168 -2.139) 14.563 1.924 ( -1.699 -3.629 0.042) 4.007 2.039 ( -5.409 4.876 -1.442) 7.424 2.070 ( 0.550 -9.652 -0.409) 9.676 2.173 ( -7.384 -3.497 3.538) 8.903 2.521 ( 3.305 -2.459 6.592) 7.773 2.543 ( 0.787 -3.327 6.619) 7.450 2.827 ( 1.981 6.875 0.714) 7.190 2.890 ( -1.167 -0.200 3.690) 3.875 2.936 ( 1.922 5.060 -2.652) 6.028 3.084 ( 1.513 -6.218 -2.480) 6.863 3.166 ( -3.736 7.489 -3.528) 9.082 3.319 ( 2.307 0.789 -5.125) 5.676 3.458 ( 3.972 1.875 -0.694) 4.447 3.524 ( 3.386 -1.314 -3.262) 4.882 3.752 ( 0.462 8.697 -5.285) 10.187 3.965 ( -0.462 2.820 6.194) 6.821 4.014 ( -1.173 -5.692 1.186) 5.931 4.059 ( 4.298 -8.780 3.663) 10.439 4.214 ( -5.175 -3.028 -2.327) 6.432 4.254 ( -3.203 -9.175 -1.610) 9.850 4.939 ( 1.739 0.787 1.601) 2.491 4.986 ( 0.916 -3.115 0.409) 3.273 5.421 ( -1.183 7.951 0.041) 8.039 5.547 ( 0.746 -4.126 2.598) 4.932 5.746 ( -1.584 7.001 -4.036) 8.235 5.888 ( -2.119 -5.591 -2.552) 6.501 6.222 ( 5.697 0.784 0.620) 5.784 6.274 ( 4.731 -3.585 0.188) 5.939 6.475 ( -3.659 0.089 2.079) 4.209 6.507 ( -3.634 -2.756 0.819) 4.633 6.688 ( 0.546 1.709 -0.941) 2.025 6.778 ( -0.561 -5.193 -0.914) 5.303 6.880 ( -2.083 5.130 1.194) 5.664 6.991 ( -3.392 -3.677 2.061) 5.410 7.596 ( 3.346 0.609 -0.741) 3.480 7.613 ( 2.530 -0.877 0.516) 2.727 8.004 ( 0.642 7.483 -5.155) 9.110 8.082 ( -3.822 -0.408 -1.218) 4.032 8.143 ( 1.634 3.051 0.924) 3.582 8.250 ( -0.251 -4.573 -0.187) 4.584 8.521 ( -2.746 0.807 2.372) 3.717 8.581 ( -0.781 -4.290 2.636) 5.096 8.818 ( 3.851 3.858 0.662) 5.491 8.863 ( 2.493 -0.221 -0.926) 2.668 9.519 ( -0.648 2.743 -1.624) 3.253 9.567 ( -0.336 -1.675 -1.254) 2.119 12.110 ( 0.640 1.316 -0.392) 1.515 12.138 ( 1.041 -1.239 -0.315) 1.649 12.420 ( -2.180 3.560 2.881) 5.073 12.463 ( -1.390 -0.685 -3.767) 4.073 12.903 ( 0.527 4.989 0.331) 5.028 13.051 ( -0.870 -7.660 2.088) 7.987 13.680 ( 2.355 4.029 3.687) 5.947 13.826 ( -1.299 -9.603 -4.511) 10.689 14.220 ( -2.493 8.331 -1.216) 8.781 14.364 ( -1.785 -5.145 1.325) 5.605 15.792 ( 1.243 12.930 0.738) 13.010 16.029 ( 2.016 -9.366 -0.051) 9.581 ======================= Grid point 24 (16/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.000 16.143 0.000) 16.143 1.824 ( -0.000 5.178 -0.000) 5.178 1.877 ( 0.000 7.667 0.000) 7.667 1.972 ( -0.000 8.404 0.000) 8.404 2.081 ( -0.000 -2.839 0.000) 2.839 2.096 ( 0.000 -14.792 -0.000) 14.792 2.554 ( 0.000 -3.480 -0.000) 3.480 2.598 ( -0.000 -7.010 0.000) 7.010 2.821 ( 0.000 8.940 0.000) 8.940 2.914 ( 0.000 1.543 0.000) 1.543 2.984 ( -0.000 1.470 -0.000) 1.470 3.023 ( 0.000 4.616 0.000) 4.616 3.174 ( 0.000 -4.418 0.000) 4.418 3.272 ( 0.000 -5.464 -0.000) 5.464 3.519 ( 0.000 5.733 0.000) 5.733 3.563 ( 0.000 2.268 0.000) 2.268 3.786 ( -0.000 11.636 0.000) 11.636 3.937 ( 0.000 8.075 -0.000) 8.075 4.061 ( 0.000 -6.667 0.000) 6.667 4.072 ( -0.000 -3.590 -0.000) 3.590 4.142 ( 0.000 -9.626 0.000) 9.626 4.215 ( 0.000 -12.274 -0.000) 12.274 4.966 ( 0.000 -0.438 0.000) 0.438 4.991 ( 0.000 -2.444 -0.000) 2.444 5.406 ( 0.000 10.043 -0.000) 10.043 5.562 ( 0.000 -4.668 0.000) 4.668 5.717 ( 0.000 6.833 0.000) 6.833 5.863 ( 0.000 -6.445 0.000) 6.445 6.300 ( 0.000 0.542 -0.000) 0.542 6.325 ( 0.000 -2.396 0.000) 2.396 6.443 ( -0.000 -1.402 -0.000) 1.402 6.449 ( 0.000 -2.495 0.000) 2.495 6.699 ( 0.000 1.573 0.000) 1.573 6.764 ( 0.000 -0.729 -0.000) 0.729 6.867 ( 0.000 0.433 -0.000) 0.433 6.950 ( -0.000 -3.481 0.000) 3.481 7.625 ( 0.000 1.085 0.000) 1.085 7.651 ( 0.000 -1.149 -0.000) 1.149 8.015 ( 0.000 2.102 -0.000) 2.102 8.016 ( -0.000 2.625 0.000) 2.625 8.166 ( -0.000 3.627 0.000) 3.627 8.248 ( 0.000 -2.149 -0.000) 2.149 8.496 ( 0.000 0.817 0.000) 0.817 8.577 ( 0.000 -5.361 0.000) 5.361 8.864 ( 0.000 3.251 0.000) 3.251 8.886 ( 0.000 1.126 0.000) 1.126 9.510 ( 0.000 2.850 0.000) 2.850 9.560 ( 0.000 -1.776 0.000) 1.776 12.117 ( 0.000 1.583 0.000) 1.583 12.150 ( 0.000 -1.351 -0.000) 1.351 12.396 ( 0.000 4.341 0.000) 4.341 12.444 ( 0.000 -0.861 -0.000) 0.861 12.910 ( 0.000 4.391 0.000) 4.391 13.043 ( 0.000 -6.789 -0.000) 6.789 13.733 ( -0.000 -0.144 -0.000) 0.144 13.785 ( 0.000 -6.274 0.000) 6.274 14.191 ( 0.000 8.308 -0.000) 8.308 14.346 ( 0.000 -5.933 0.000) 5.933 15.807 ( 0.000 13.451 0.000) 13.451 16.051 ( 0.000 -9.426 0.000) 9.426 ======================= Grid point 49 (17/104) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -10.505 0.000 22.848) 25.147 0.503 ( -3.551 0.000 26.055) 26.296 0.849 ( -7.111 0.000 43.601) 44.177 1.892 ( 2.926 0.000 -0.376) 2.950 1.954 ( -0.014 0.000 0.459) 0.460 2.372 ( -0.566 0.000 -0.302) 0.642 2.402 ( -0.639 0.000 0.512) 0.818 2.530 ( 3.713 0.000 4.963) 6.198 2.804 ( 3.900 0.000 -2.808) 4.805 2.869 ( 6.594 0.000 -0.235) 6.598 2.933 ( -0.522 0.000 -3.173) 3.216 3.066 ( -8.717 0.000 0.782) 8.752 3.204 ( 5.221 0.000 2.533) 5.803 3.391 ( -2.039 0.000 2.383) 3.137 3.507 ( 1.191 0.000 -4.893) 5.035 3.605 ( -5.247 0.000 -1.439) 5.441 3.727 ( 4.052 0.000 -0.105) 4.054 3.797 ( -4.621 0.000 -4.357) 6.351 4.207 ( -1.989 0.000 -2.759) 3.401 4.377 ( 2.366 0.000 1.713) 2.921 4.478 ( 0.260 0.000 -5.734) 5.740 4.685 ( 2.259 0.000 -3.561) 4.217 5.206 ( 0.513 0.000 1.500) 1.585 5.376 ( 17.473 0.000 -0.905) 17.496 5.422 ( -1.638 0.000 -0.374) 1.681 5.438 ( 38.303 0.000 2.717) 38.399 5.818 ( -0.223 0.000 -0.169) 0.279 6.064 ( -9.823 0.000 4.643) 10.865 6.111 ( -10.841 0.000 5.775) 12.283 6.230 ( 1.729 0.000 -3.136) 3.581 6.402 ( 3.594 0.000 2.057) 4.141 6.638 ( -18.137 0.000 2.034) 18.251 6.728 ( 3.515 0.000 -3.847) 5.211 6.821 ( -1.844 0.000 1.033) 2.114 7.065 ( -1.996 0.000 5.608) 5.952 7.194 ( 1.761 0.000 -1.244) 2.156 7.282 ( -2.605 0.000 -1.849) 3.194 7.315 ( 0.900 0.000 -2.320) 2.488 7.346 ( 2.375 0.000 1.425) 2.770 8.030 ( 0.860 0.000 -1.211) 1.485 8.195 ( -2.196 0.000 2.133) 3.062 8.485 ( 1.667 0.000 -1.639) 2.338 8.540 ( -1.560 0.000 -4.284) 4.559 8.566 ( 0.579 0.000 -3.533) 3.580 8.825 ( -9.836 0.000 3.208) 10.346 8.863 ( -20.856 0.000 3.078) 21.082 9.277 ( 2.349 0.000 -1.375) 2.722 9.482 ( -2.404 0.000 -2.188) 3.250 11.992 ( -0.710 0.000 1.993) 2.116 12.119 ( 0.078 0.000 0.981) 0.984 12.167 ( -0.304 0.000 0.568) 0.644 12.803 ( -25.743 0.000 -11.377) 28.146 13.071 ( 1.917 0.000 -4.684) 5.061 13.232 ( -27.359 0.000 8.954) 28.787 13.331 ( -1.630 0.000 7.171) 7.354 13.836 ( 20.041 0.000 -8.969) 21.956 14.393 ( -0.219 0.000 0.924) 0.950 14.730 ( 25.682 0.000 -3.413) 25.908 14.959 ( 6.553 0.000 11.694) 13.405 16.187 ( 0.256 0.000 -3.247) 3.257 ======================= Grid point 50 (18/104) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 14.798 0.000 9.877) 17.791 0.751 ( 15.983 0.000 16.848) 23.223 1.185 ( 19.667 0.000 31.563) 37.189 1.951 ( 1.065 0.000 0.912) 1.402 1.953 ( -0.222 0.000 -2.490) 2.500 2.245 ( -11.827 0.000 8.111) 14.341 2.405 ( 4.809 0.000 -0.238) 4.815 2.689 ( -15.230 0.000 1.378) 15.292 2.701 ( 8.012 0.000 3.282) 8.658 2.877 ( -3.099 0.000 -4.557) 5.511 2.962 ( 5.440 0.000 3.318) 6.372 3.029 ( 3.081 0.000 -0.897) 3.209 3.266 ( -2.547 0.000 -2.374) 3.482 3.314 ( -14.181 0.000 -2.249) 14.358 3.406 ( 2.098 0.000 7.055) 7.360 3.526 ( 0.569 0.000 -3.690) 3.733 3.729 ( 1.963 0.000 -10.436) 10.619 3.918 ( 5.373 0.000 -2.884) 6.098 4.202 ( 4.331 0.000 1.169) 4.486 4.359 ( -3.553 0.000 0.911) 3.668 4.418 ( -2.993 0.000 -4.123) 5.095 4.737 ( 2.856 0.000 -3.448) 4.477 5.100 ( -7.850 0.000 -0.268) 7.855 5.232 ( -8.184 0.000 2.813) 8.654 5.362 ( -2.944 0.000 -2.574) 3.911 5.561 ( -11.614 0.000 18.237) 21.621 5.788 ( -2.435 0.000 0.124) 2.439 6.107 ( 1.228 0.000 3.761) 3.957 6.278 ( 3.342 0.000 -1.238) 3.564 6.454 ( -3.593 0.000 4.641) 5.869 6.503 ( 4.136 0.000 4.491) 6.106 6.728 ( 34.523 0.000 -30.710) 46.205 6.743 ( -2.784 0.000 -2.541) 3.769 6.790 ( 0.279 0.000 1.081) 1.117 6.970 ( -4.944 0.000 3.113) 5.843 7.110 ( -7.752 0.000 -2.943) 8.292 7.300 ( 3.692 0.000 1.763) 4.091 7.449 ( 7.905 0.000 -3.360) 8.589 7.558 ( 16.794 0.000 -3.178) 17.092 8.053 ( 1.326 0.000 -0.685) 1.492 8.076 ( -19.951 0.000 16.133) 25.657 8.157 ( -1.365 0.000 0.201) 1.380 8.550 ( -0.862 0.000 -3.521) 3.625 8.554 ( -3.970 0.000 -0.347) 3.985 8.608 ( 2.634 0.000 -7.600) 8.044 8.935 ( 2.927 0.000 5.550) 6.275 9.326 ( 1.566 0.000 -1.155) 1.946 9.435 ( -0.122 0.000 -3.050) 3.052 11.978 ( -1.143 0.000 2.009) 2.311 12.115 ( -0.816 0.000 1.121) 1.387 12.173 ( 0.632 0.000 0.497) 0.804 12.431 ( -5.081 0.000 5.409) 7.421 13.075 ( -1.872 0.000 2.119) 2.828 13.086 ( 0.884 0.000 -3.826) 3.927 13.327 ( -1.162 0.000 6.701) 6.801 14.032 ( 5.087 0.000 -6.727) 8.434 14.409 ( 1.337 0.000 0.896) 1.610 14.841 ( -0.505 0.000 -1.718) 1.790 15.182 ( 2.498 0.000 -0.474) 2.542 16.180 ( 0.321 0.000 -3.485) 3.500 ======================= Grid point 51 (19/104) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 21.279 0.000 1.838) 21.358 1.174 ( 18.717 0.000 9.333) 20.915 1.683 ( 11.007 0.000 13.694) 17.569 1.876 ( -2.463 0.000 0.813) 2.593 1.914 ( -5.220 0.000 1.076) 5.330 2.102 ( -3.330 0.000 13.452) 13.858 2.359 ( -14.586 0.000 0.759) 14.605 2.543 ( 6.307 0.000 -0.296) 6.314 2.772 ( -2.857 0.000 -5.200) 5.933 2.872 ( 4.351 0.000 4.003) 5.912 3.034 ( -10.893 0.000 -1.401) 10.983 3.057 ( -0.091 0.000 -2.092) 2.094 3.070 ( 0.701 0.000 -0.473) 0.846 3.183 ( -0.949 0.000 2.333) 2.519 3.419 ( -2.578 0.000 6.614) 7.099 3.485 ( -4.536 0.000 -0.106) 4.537 3.829 ( 10.067 0.000 -11.173) 15.039 3.915 ( -0.291 0.000 -6.128) 6.135 4.268 ( -4.461 0.000 -0.856) 4.542 4.343 ( -3.520 0.000 -1.041) 3.671 4.397 ( 10.956 0.000 0.574) 10.971 4.761 ( 0.812 0.000 -3.974) 4.056 4.904 ( -10.562 0.000 3.121) 11.013 5.139 ( -2.685 0.000 -0.398) 2.714 5.313 ( -0.076 0.000 -4.358) 4.359 5.460 ( -4.887 0.000 13.756) 14.598 5.733 ( -2.740 0.000 1.473) 3.111 6.153 ( 1.415 0.000 4.209) 4.440 6.336 ( 1.642 0.000 0.584) 1.743 6.409 ( -1.986 0.000 3.188) 3.756 6.579 ( 1.531 0.000 3.151) 3.503 6.652 ( -4.526 0.000 -1.730) 4.845 6.798 ( -0.011 0.000 0.902) 0.902 6.897 ( -2.867 0.000 3.819) 4.775 6.971 ( -3.797 0.000 -3.503) 5.166 7.072 ( 11.176 0.000 -15.053) 18.748 7.401 ( 5.376 0.000 2.520) 5.938 7.597 ( 7.138 0.000 -3.650) 8.017 7.684 ( -7.157 0.000 11.125) 13.228 8.013 ( 9.291 0.000 -6.927) 11.589 8.060 ( -0.831 0.000 1.127) 1.400 8.156 ( 1.354 0.000 -1.755) 2.217 8.447 ( -4.610 0.000 -5.014) 6.811 8.513 ( -1.170 0.000 -3.407) 3.602 8.631 ( 1.875 0.000 -6.288) 6.562 9.007 ( 2.004 0.000 7.548) 7.810 9.311 ( -0.561 0.000 -5.901) 5.928 9.474 ( 2.868 0.000 1.220) 3.116 11.965 ( -0.792 0.000 2.421) 2.547 12.097 ( -1.095 0.000 1.237) 1.652 12.191 ( 0.748 0.000 0.606) 0.963 12.437 ( 2.159 0.000 2.868) 3.590 13.061 ( 0.020 0.000 -1.147) 1.148 13.079 ( -0.048 0.000 -4.325) 4.326 13.331 ( -0.907 0.000 6.898) 6.958 14.084 ( 2.127 0.000 -1.799) 2.785 14.444 ( 1.386 0.000 0.795) 1.598 14.814 ( -0.696 0.000 -5.213) 5.259 15.158 ( -3.838 0.000 4.863) 6.195 16.177 ( 0.611 0.000 -3.367) 3.422 ======================= Grid point 52 (20/104) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 7.750 0.000 -3.230) 8.396 1.470 ( -1.652 0.000 5.996) 6.219 1.507 ( -6.569 0.000 7.474) 9.950 1.784 ( -0.305 0.000 4.249) 4.260 2.018 ( 1.316 0.000 2.514) 2.838 2.142 ( -5.701 0.000 18.479) 19.338 2.179 ( -1.699 0.000 -2.816) 3.288 2.576 ( -3.080 0.000 -4.857) 5.751 2.738 ( 3.779 0.000 -1.601) 4.104 2.839 ( -2.331 0.000 -0.489) 2.382 2.986 ( 0.412 0.000 2.684) 2.715 2.996 ( -1.674 0.000 -3.640) 4.007 3.034 ( -1.926 0.000 -3.405) 3.912 3.257 ( 2.452 0.000 7.248) 7.651 3.379 ( -2.931 0.000 -0.343) 2.951 3.401 ( -0.553 0.000 5.812) 5.838 3.935 ( 4.182 0.000 -5.415) 6.842 4.015 ( 10.876 0.000 -9.005) 14.120 4.190 ( -1.956 0.000 -2.647) 3.292 4.248 ( -5.829 0.000 0.919) 5.901 4.536 ( -1.629 0.000 -5.795) 6.020 4.759 ( 0.659 0.000 -4.066) 4.119 4.761 ( -1.366 0.000 8.841) 8.946 5.080 ( -2.334 0.000 -1.815) 2.957 5.325 ( 2.401 0.000 -4.523) 5.121 5.442 ( -1.539 0.000 10.924) 11.031 5.702 ( -0.560 0.000 2.812) 2.867 6.178 ( -0.766 0.000 4.336) 4.403 6.329 ( -2.453 0.000 0.742) 2.562 6.391 ( -0.908 0.000 2.701) 2.850 6.546 ( -4.636 0.000 -4.018) 6.134 6.605 ( 1.127 0.000 -0.483) 1.226 6.794 ( -0.488 0.000 0.971) 1.086 6.870 ( -1.001 0.000 3.601) 3.737 6.955 ( 2.879 0.000 -1.326) 3.170 7.197 ( 5.464 0.000 -5.257) 7.582 7.465 ( -3.244 0.000 3.332) 4.650 7.601 ( -0.812 0.000 5.102) 5.166 7.686 ( 1.813 0.000 -3.156) 3.640 8.038 ( -1.281 0.000 1.485) 1.961 8.101 ( -0.870 0.000 -1.695) 1.905 8.184 ( 1.606 0.000 -1.126) 1.962 8.400 ( 4.275 0.000 -10.625) 11.453 8.493 ( 0.693 0.000 -3.293) 3.365 8.647 ( 1.939 0.000 -5.341) 5.682 9.078 ( 1.949 0.000 9.465) 9.663 9.286 ( 0.333 0.000 -6.706) 6.714 9.527 ( 1.356 0.000 2.461) 2.810 11.964 ( -0.287 0.000 2.745) 2.760 12.085 ( -0.373 0.000 1.210) 1.266 12.203 ( 0.044 0.000 0.754) 0.755 12.514 ( 3.798 0.000 5.364) 6.572 13.059 ( 0.041 0.000 -5.486) 5.486 13.060 ( 0.355 0.000 -2.635) 2.659 13.337 ( -1.012 0.000 7.443) 7.511 14.122 ( 1.803 0.000 1.886) 2.609 14.461 ( -0.107 0.000 0.694) 0.703 14.773 ( -0.654 0.000 -11.496) 11.514 15.086 ( -4.968 0.000 6.785) 8.409 16.181 ( 0.842 0.000 -3.006) 3.121 ======================= Grid point 53 (21/104) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -20.996 0.000 6.596) 22.008 1.155 ( -22.615 0.000 9.078) 24.369 1.718 ( -10.603 0.000 9.328) 14.122 1.880 ( -1.794 0.000 12.269) 12.399 1.907 ( 2.235 0.000 0.251) 2.249 2.047 ( -0.391 0.000 3.660) 3.681 2.262 ( 10.150 0.000 -4.207) 10.988 2.473 ( -1.699 0.000 -3.371) 3.775 2.786 ( -5.401 0.000 0.634) 5.438 2.842 ( 3.414 0.000 -3.929) 5.205 2.935 ( -4.665 0.000 -3.204) 5.659 3.003 ( 1.435 0.000 -2.613) 2.981 3.089 ( 11.908 0.000 1.624) 12.019 3.304 ( 0.204 0.000 3.674) 3.679 3.403 ( 3.799 0.000 -0.002) 3.799 3.425 ( -0.183 0.000 5.756) 5.759 4.023 ( 4.882 0.000 -5.193) 7.128 4.087 ( -6.741 0.000 -1.410) 6.887 4.178 ( 1.605 0.000 -1.406) 2.133 4.229 ( 9.281 0.000 -3.892) 10.064 4.345 ( -11.286 0.000 -0.721) 11.309 4.751 ( -0.319 0.000 -4.747) 4.757 4.793 ( -1.753 0.000 -0.602) 1.853 5.090 ( 4.101 0.000 3.610) 5.463 5.367 ( 2.784 0.000 -2.142) 3.513 5.454 ( -0.855 0.000 7.502) 7.551 5.735 ( 2.415 0.000 2.674) 3.603 6.154 ( -2.697 0.000 3.934) 4.770 6.266 ( -2.748 0.000 -1.374) 3.073 6.382 ( -1.424 0.000 3.402) 3.688 6.440 ( -3.712 0.000 -5.086) 6.297 6.629 ( 1.740 0.000 -1.947) 2.612 6.804 ( 1.285 0.000 -0.306) 1.321 6.884 ( 1.280 0.000 2.827) 3.104 7.044 ( 5.318 0.000 0.184) 5.321 7.265 ( 1.116 0.000 -1.701) 2.035 7.354 ( -5.327 0.000 -1.594) 5.560 7.556 ( -7.771 0.000 4.232) 8.849 7.636 ( -5.303 0.000 -2.019) 5.674 8.029 ( -0.110 0.000 0.507) 0.518 8.107 ( 5.095 0.000 -1.184) 5.231 8.209 ( 0.845 0.000 0.586) 1.028 8.485 ( 5.555 0.000 -7.864) 9.628 8.516 ( 2.325 0.000 -3.216) 3.969 8.679 ( 2.776 0.000 -3.685) 4.614 9.157 ( 2.248 0.000 9.967) 10.218 9.270 ( 0.178 0.000 -5.655) 5.658 9.545 ( -0.364 0.000 2.190) 2.220 11.973 ( 0.225 0.000 2.818) 2.827 12.091 ( 0.473 0.000 0.962) 1.072 12.197 ( -0.822 0.000 0.847) 1.181 12.652 ( 7.502 0.000 11.880) 14.050 13.046 ( 0.802 0.000 -6.222) 6.274 13.054 ( 0.109 0.000 -3.171) 3.173 13.341 ( -1.291 0.000 7.814) 7.920 14.179 ( 2.666 0.000 4.959) 5.630 14.445 ( -1.591 0.000 0.707) 1.741 14.676 ( -4.198 0.000 -22.365) 22.756 15.007 ( -5.093 0.000 8.498) 9.907 16.188 ( 0.770 0.000 -2.770) 2.875 ======================= Grid point 54 (22/104) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -18.430 0.000 16.547) 24.769 0.726 ( -21.616 0.000 16.830) 27.395 1.206 ( -32.230 0.000 29.557) 43.731 1.882 ( -1.332 0.000 -2.988) 3.271 1.961 ( -0.783 0.000 2.100) 2.241 2.213 ( 12.719 0.000 1.668) 12.828 2.375 ( 1.320 0.000 -1.242) 1.813 2.613 ( 12.884 0.000 -0.826) 12.911 2.623 ( -8.393 0.000 -0.456) 8.405 2.834 ( -2.302 0.000 -5.128) 5.621 2.912 ( 3.419 0.000 -3.141) 4.643 3.054 ( 3.886 0.000 0.160) 3.889 3.269 ( -5.339 0.000 2.154) 5.757 3.373 ( 13.698 0.000 1.296) 13.759 3.419 ( -1.708 0.000 3.990) 4.340 3.482 ( 3.502 0.000 -1.076) 3.663 3.929 ( -7.113 0.000 -1.029) 7.187 3.960 ( -11.093 0.000 -5.560) 12.408 4.214 ( 2.419 0.000 -0.491) 2.468 4.258 ( 3.716 0.000 4.836) 6.099 4.404 ( 7.888 0.000 -4.307) 8.987 4.706 ( -1.782 0.000 -5.330) 5.620 4.740 ( 0.644 0.000 5.967) 6.001 5.205 ( 3.772 0.000 2.998) 4.818 5.418 ( 1.880 0.000 0.181) 1.889 5.450 ( -1.745 0.000 4.340) 4.678 5.796 ( 2.137 0.000 1.145) 2.424 6.109 ( -2.642 0.000 3.572) 4.443 6.226 ( -0.242 0.000 -2.836) 2.846 6.338 ( -4.770 0.000 2.750) 5.506 6.373 ( -0.814 0.000 -3.038) 3.145 6.669 ( 3.004 0.000 -2.916) 4.186 6.829 ( 0.801 0.000 -0.343) 0.871 6.940 ( 2.249 0.000 0.538) 2.313 7.113 ( -12.047 0.000 -7.181) 14.025 7.166 ( 6.338 0.000 -0.501) 6.358 7.326 ( 0.045 0.000 -1.317) 1.318 7.351 ( -10.845 0.000 2.303) 11.087 7.482 ( -8.290 0.000 -1.616) 8.446 8.027 ( -0.080 0.000 -0.583) 0.589 8.218 ( -0.640 0.000 2.219) 2.310 8.293 ( 11.282 0.000 0.560) 11.296 8.549 ( 2.678 0.000 -5.058) 5.723 8.551 ( 1.981 0.000 -3.352) 3.894 8.740 ( 3.899 0.000 -0.143) 3.902 9.221 ( -0.689 0.000 2.714) 2.800 9.257 ( 0.546 0.000 -3.753) 3.793 9.529 ( -1.656 0.000 0.493) 1.728 11.989 ( 0.178 0.000 2.500) 2.506 12.107 ( 0.626 0.000 0.827) 1.037 12.179 ( -1.005 0.000 0.759) 1.259 12.948 ( 11.235 0.000 4.194) 11.992 13.050 ( 1.718 0.000 -5.906) 6.150 13.086 ( 11.676 0.000 11.586) 16.449 13.339 ( -1.633 0.000 7.724) 7.895 14.294 ( 7.463 0.000 10.179) 12.621 14.312 ( -25.673 0.000 -38.085) 45.930 14.411 ( -1.652 0.000 0.834) 1.851 14.947 ( -3.760 0.000 9.989) 10.674 16.191 ( 0.475 0.000 -2.893) 2.931 ======================= Grid point 55 (23/104) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.438 17.523 11.758) 21.107 0.731 ( -5.257 21.285 13.289) 25.638 1.373 ( -5.837 34.830 29.916) 46.283 1.937 ( 3.166 3.419 -0.679) 4.710 2.072 ( 0.278 9.972 -0.305) 9.981 2.366 ( -0.475 -0.221 -0.138) 0.542 2.402 ( -5.146 0.002 -0.433) 5.164 2.511 ( 6.877 -1.544 4.030) 8.119 2.742 ( 3.499 -6.793 -1.383) 7.765 2.851 ( 7.516 -0.345 -0.198) 7.527 2.899 ( 1.240 -2.619 -3.616) 4.634 2.970 ( -8.878 -7.376 0.137) 11.543 3.174 ( 3.142 -2.495 2.128) 4.541 3.352 ( -4.654 -1.200 1.895) 5.167 3.556 ( -5.680 0.954 -4.072) 7.054 3.650 ( 7.183 -1.991 -4.705) 8.815 3.698 ( -3.779 3.208 -4.629) 6.782 3.850 ( -0.204 4.007 2.656) 4.811 4.120 ( -0.500 -5.818 -1.090) 5.941 4.290 ( 2.328 -5.452 3.625) 6.949 4.441 ( 0.494 -3.694 -3.664) 5.226 4.842 ( 1.209 8.075 -4.652) 9.397 4.948 ( 13.670 -11.534 17.079) 24.730 5.127 ( -2.722 -6.564 2.788) 7.633 5.305 ( -1.504 -5.223 2.567) 6.011 5.496 ( -2.446 3.277 -2.705) 4.903 5.750 ( 0.918 -5.619 0.681) 5.734 6.043 ( -2.173 -0.409 3.947) 4.524 6.096 ( -4.427 -0.664 4.044) 6.033 6.230 ( 2.709 -0.329 -2.221) 3.518 6.537 ( 6.631 3.788 -1.448) 7.772 6.606 ( -0.900 1.561 1.071) 2.096 6.771 ( -0.718 -0.948 -0.764) 1.413 6.988 ( 0.175 -9.098 -2.339) 9.395 7.070 ( -1.485 -0.396 0.837) 1.750 7.122 ( -4.520 1.203 1.411) 4.885 7.259 ( -0.554 1.926 -0.821) 2.165 7.423 ( 3.443 10.746 -7.287) 13.433 7.595 ( 1.452 12.597 -1.369) 12.754 8.019 ( 0.387 -0.623 -1.014) 1.251 8.192 ( -3.100 0.143 1.231) 3.338 8.473 ( 4.438 -1.015 -2.642) 5.264 8.515 ( -2.309 -5.266 1.239) 5.882 8.571 ( 0.576 0.640 -3.013) 3.134 8.726 ( -12.350 0.877 2.865) 12.708 8.796 ( 2.963 -2.907 3.358) 5.339 9.447 ( -3.952 3.854 -7.274) 9.131 9.525 ( 0.138 3.361 -3.844) 5.108 12.086 ( 0.072 2.004 -3.081) 3.676 12.144 ( 1.690 1.556 -0.870) 2.456 12.165 ( 0.644 2.713 -2.309) 3.621 12.705 ( -17.738 -5.821 -3.038) 18.914 12.931 ( -1.765 -5.558 4.661) 7.466 13.189 ( 0.400 2.383 -3.274) 4.069 13.471 ( 7.879 -0.993 6.881) 10.507 13.942 ( -2.765 8.463 -11.917) 14.876 14.202 ( 0.680 -7.465 5.505) 9.300 14.689 ( 5.816 -4.882 5.719) 9.506 15.208 ( 5.743 14.774 1.945) 15.970 16.163 ( -0.635 -2.479 -2.920) 3.883 ======================= Grid point 56 (24/104) ======================= q-point: ( 0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 5.892 17.178 9.437) 20.466 0.822 ( 14.343 11.958 10.428) 21.388 1.585 ( 12.999 28.785 23.670) 39.469 1.981 ( -0.315 3.109 -0.308) 3.140 2.086 ( 0.866 10.153 -3.054) 10.637 2.229 ( -9.818 -0.299 8.561) 13.030 2.391 ( 3.899 -1.273 -0.226) 4.108 2.664 ( -12.203 -1.821 -0.095) 12.339 2.691 ( 4.739 -1.414 2.950) 5.759 2.857 ( 5.441 -8.316 1.813) 10.101 2.897 ( -0.726 1.363 -3.201) 3.554 3.007 ( 5.147 -1.454 0.347) 5.359 3.208 ( -5.653 -2.736 -2.787) 6.871 3.284 ( -1.385 -4.574 2.635) 5.457 3.379 ( -4.945 -0.436 0.684) 5.011 3.599 ( -4.073 -1.371 -10.874) 11.692 3.681 ( 2.341 2.174 -5.048) 5.974 3.973 ( 2.080 3.249 1.515) 4.145 4.157 ( 7.418 -3.309 1.405) 8.243 4.304 ( -1.841 -4.306 2.286) 5.212 4.415 ( -1.521 -1.834 -3.490) 4.225 4.806 ( -2.594 2.175 -5.069) 6.095 5.029 ( -5.958 -2.057 3.409) 7.166 5.152 ( -1.076 -9.304 11.819) 15.080 5.280 ( -1.731 -8.954 3.974) 9.948 5.440 ( -1.258 3.516 -3.374) 5.033 5.790 ( -1.113 -3.990 2.177) 4.679 6.062 ( 0.252 -3.516 1.860) 3.986 6.190 ( 13.351 -8.168 0.229) 15.653 6.288 ( 2.944 0.467 0.229) 2.990 6.558 ( -3.147 5.068 1.885) 6.256 6.654 ( 1.947 -1.486 2.584) 3.560 6.736 ( -1.462 -0.191 -2.416) 2.830 6.931 ( -4.398 -8.170 -1.662) 9.426 7.011 ( -1.356 0.114 -4.045) 4.268 7.076 ( -0.970 1.692 2.199) 2.939 7.329 ( 5.903 5.341 -1.343) 8.073 7.521 ( 7.071 4.157 -6.337) 10.365 7.669 ( 4.603 6.543 1.412) 8.124 8.020 ( -0.471 -0.524 -1.190) 1.383 8.100 ( -3.658 0.589 0.149) 3.708 8.382 ( -8.328 13.210 3.807) 16.074 8.491 ( -1.343 -4.991 -2.413) 5.704 8.573 ( 0.354 2.165 -3.637) 4.247 8.609 ( 0.872 0.824 -5.189) 5.326 8.880 ( 3.017 -3.603 5.545) 7.269 9.368 ( -1.418 2.589 -3.984) 4.959 9.502 ( 0.002 4.061 -3.816) 5.572 12.064 ( -1.120 2.788 -2.413) 3.854 12.157 ( -1.333 5.743 -2.964) 6.599 12.163 ( 0.716 -0.750 0.622) 1.209 12.440 ( -5.155 0.881 4.456) 6.871 12.921 ( -0.264 -5.353 0.551) 5.388 13.189 ( 0.471 2.375 -2.777) 3.684 13.509 ( -2.722 12.116 5.262) 13.487 13.987 ( 5.612 -4.523 -8.446) 11.103 14.253 ( 1.896 -9.363 6.414) 11.507 14.756 ( 0.299 -7.667 -0.734) 7.708 15.281 ( -0.641 10.024 4.691) 11.086 16.165 ( 1.611 -1.841 -4.025) 4.711 ======================= Grid point 57 (25/104) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 15.883 6.678 2.926) 17.476 1.199 ( 17.363 5.497 7.586) 19.729 1.803 ( -5.946 2.707 8.622) 10.818 1.887 ( -9.509 8.403 3.157) 13.077 2.097 ( 4.937 8.301 4.771) 10.772 2.162 ( -1.243 8.388 5.275) 9.986 2.414 ( -3.804 6.173 2.814) 7.778 2.519 ( 5.098 -0.782 -0.975) 5.249 2.798 ( 0.705 -0.114 0.246) 0.756 2.871 ( 0.248 1.121 -1.034) 1.545 2.911 ( -1.593 -8.705 -2.484) 9.192 3.036 ( -4.444 -1.586 -1.469) 4.942 3.104 ( 0.882 2.724 2.621) 3.882 3.218 ( -1.864 3.002 1.811) 3.970 3.362 ( -1.653 -3.863 4.501) 6.157 3.521 ( 0.400 -4.229 -8.150) 9.191 3.710 ( 0.506 0.147 -2.935) 2.981 3.961 ( 1.190 -0.993 -3.063) 3.433 4.248 ( -3.178 -2.169 -0.037) 3.848 4.347 ( -0.576 -0.795 -1.200) 1.550 4.378 ( 6.810 -2.128 -0.761) 7.175 4.722 ( -3.335 -4.166 -1.838) 5.644 4.928 ( -4.784 3.855 3.280) 6.964 5.125 ( -2.788 -1.195 -0.129) 3.036 5.258 ( -1.551 -8.067 5.468) 9.868 5.421 ( 0.478 2.078 -1.215) 2.454 5.740 ( -3.481 -1.004 3.364) 4.944 6.095 ( 1.644 -4.714 2.721) 5.686 6.338 ( 1.011 0.315 1.702) 2.005 6.409 ( 4.597 -4.315 2.947) 6.960 6.525 ( 1.107 -0.208 -1.104) 1.578 6.618 ( -4.250 -2.263 2.968) 5.656 6.708 ( -1.410 -2.663 -1.682) 3.451 6.850 ( -1.834 -5.878 -2.669) 6.711 6.965 ( -2.545 1.887 2.295) 3.912 7.104 ( 3.234 -2.094 -2.611) 4.654 7.475 ( 8.179 7.434 -2.829) 11.409 7.615 ( 3.196 0.021 -2.659) 4.157 7.707 ( -2.927 1.069 7.577) 8.193 8.033 ( 3.195 1.584 -4.532) 5.767 8.078 ( 0.798 0.022 -1.241) 1.476 8.253 ( -5.768 7.135 1.128) 9.244 8.449 ( 0.218 1.326 -8.350) 8.458 8.561 ( -0.191 4.084 -3.285) 5.245 8.625 ( 1.780 0.107 -3.962) 4.345 8.954 ( 1.825 -3.955 7.615) 8.773 9.339 ( -0.040 2.326 -5.193) 5.690 9.515 ( 1.855 2.627 -0.735) 3.299 12.035 ( -0.781 4.396 -1.057) 4.588 12.115 ( -1.832 2.705 0.762) 3.354 12.183 ( 0.851 -0.683 0.644) 1.267 12.441 ( 2.040 0.210 2.530) 3.257 12.922 ( 0.462 -4.963 -1.442) 5.188 13.186 ( 0.170 1.569 -2.284) 2.776 13.459 ( -3.141 11.119 2.213) 11.764 14.056 ( 2.921 -2.683 -1.181) 4.138 14.318 ( 2.084 -9.384 5.926) 11.293 14.727 ( -1.290 -9.311 -6.709) 11.548 15.249 ( -3.803 10.509 7.390) 13.398 16.185 ( 1.623 -0.235 -4.225) 4.532 ======================= Grid point 58 (26/104) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 10.171 -0.280 -1.688) 10.314 1.419 ( -9.053 0.556 1.857) 9.258 1.661 ( -4.029 2.215 10.589) 11.544 1.692 ( 0.140 7.270 9.185) 11.715 2.098 ( -1.307 -0.873 -0.410) 1.624 2.170 ( -0.084 10.444 1.785) 10.596 2.486 ( -5.397 15.591 3.711) 16.911 2.557 ( 0.400 0.719 -2.784) 2.903 2.733 ( 0.209 -0.929 -1.865) 2.094 2.836 ( -0.804 0.296 -2.164) 2.328 2.924 ( -0.506 -6.231 -0.483) 6.270 2.976 ( 0.583 0.338 1.799) 1.921 3.091 ( -1.870 5.465 -0.619) 5.809 3.248 ( 0.254 -0.848 5.655) 5.724 3.365 ( 2.071 0.160 2.869) 3.542 3.500 ( -1.029 5.390 0.239) 5.492 3.737 ( 5.190 -8.766 -2.957) 10.608 4.016 ( 3.394 -6.124 -5.680) 9.016 4.196 ( -1.986 -0.743 -0.573) 2.196 4.276 ( -1.634 1.604 -2.320) 3.260 4.464 ( -1.649 -5.874 -3.968) 7.278 4.710 ( 2.443 -2.696 4.184) 5.545 4.861 ( -2.259 6.846 1.566) 7.378 5.047 ( -3.586 -2.724 -2.527) 5.164 5.268 ( 1.048 -4.725 2.424) 5.413 5.450 ( 2.063 0.922 0.658) 2.353 5.700 ( -1.225 -0.083 3.942) 4.129 6.127 ( -0.092 -4.404 3.537) 5.649 6.323 ( -2.990 -0.303 1.329) 3.286 6.427 ( -1.073 2.854 3.016) 4.288 6.525 ( -2.711 -2.576 -3.544) 5.152 6.571 ( -0.496 -2.804 -0.551) 2.901 6.693 ( 0.680 -5.514 1.552) 5.768 6.846 ( 2.008 -5.327 -1.791) 5.968 6.937 ( -0.833 2.843 3.007) 4.222 7.176 ( 3.985 -4.180 -0.598) 5.806 7.561 ( -2.716 6.402 1.017) 7.029 7.628 ( 0.543 0.118 -0.627) 0.838 7.715 ( 3.505 4.109 -0.136) 5.403 8.000 ( -5.884 -0.272 3.090) 6.651 8.138 ( 3.772 -2.572 -3.488) 5.745 8.159 ( -1.420 2.267 -2.047) 3.368 8.463 ( 4.018 3.527 -10.686) 11.949 8.545 ( -0.054 4.804 -2.652) 5.488 8.653 ( 2.111 1.060 -3.021) 3.834 9.011 ( 0.628 -4.857 9.065) 10.303 9.331 ( 1.329 3.356 -5.355) 6.458 9.553 ( 1.324 1.647 0.932) 2.309 12.028 ( 0.266 5.017 -0.437) 5.043 12.091 ( -0.741 0.911 1.370) 1.805 12.196 ( 0.087 -0.513 0.783) 0.940 12.514 ( 3.701 -0.212 4.597) 5.905 12.928 ( 0.740 -4.413 -2.556) 5.153 13.181 ( 0.268 1.761 -2.768) 3.292 13.401 ( -2.827 6.690 0.500) 7.280 14.104 ( 1.336 -0.961 3.644) 3.998 14.377 ( 1.261 -6.525 7.093) 9.720 14.661 ( -1.803 -11.824 -12.951) 17.630 15.193 ( -4.083 11.983 7.393) 14.660 16.200 ( 1.228 0.565 -3.748) 3.984 ======================= Grid point 59 (27/104) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -19.476 2.920 6.357) 20.694 1.181 ( -17.722 8.231 6.190) 20.497 1.817 ( 7.316 5.747 7.586) 12.004 1.875 ( 6.793 1.176 5.567) 8.861 2.047 ( -8.833 7.388 4.628) 12.411 2.148 ( -1.263 9.409 -1.123) 9.560 2.346 ( -0.884 6.763 0.138) 6.822 2.476 ( -1.109 2.104 -2.203) 3.242 2.748 ( -3.316 -2.307 -0.238) 4.047 2.828 ( 0.726 -0.437 -3.472) 3.574 2.849 ( -4.120 -7.178 -3.693) 9.063 3.042 ( -1.318 1.686 -0.671) 2.243 3.115 ( 9.935 2.730 1.724) 10.446 3.261 ( 0.126 -2.316 3.898) 4.536 3.435 ( 1.276 2.162 5.246) 5.815 3.522 ( 3.067 7.908 -1.129) 8.557 3.874 ( 7.040 -8.569 -0.943) 11.130 3.996 ( -3.725 -8.314 -3.438) 9.738 4.152 ( 0.152 -2.062 -2.061) 2.920 4.304 ( -4.735 0.340 -2.582) 5.404 4.337 ( 0.091 0.166 -1.480) 1.492 4.769 ( -0.129 -2.762 1.270) 3.042 4.839 ( 0.163 7.965 -3.173) 8.576 5.013 ( 1.548 -5.963 3.262) 6.971 5.304 ( 1.252 -3.995 1.882) 4.590 5.494 ( 1.639 1.494 0.827) 2.367 5.723 ( 1.751 -0.454 3.254) 3.723 6.117 ( -1.606 -3.348 3.357) 5.006 6.246 ( -3.919 -1.486 -0.717) 4.252 6.397 ( -4.260 0.338 2.417) 4.909 6.455 ( -1.432 1.337 -3.625) 4.120 6.562 ( 0.542 -3.721 -1.012) 3.894 6.726 ( 1.922 -4.304 0.228) 4.719 6.894 ( 2.577 -4.289 -0.215) 5.008 6.962 ( 2.169 0.082 2.417) 3.249 7.245 ( 1.822 -5.991 2.029) 6.582 7.470 ( -4.213 7.457 -2.372) 8.887 7.587 ( -5.885 2.383 1.078) 6.440 7.699 ( -5.754 6.052 1.543) 8.493 7.966 ( 3.845 -1.657 -2.621) 4.940 8.158 ( 2.051 0.196 -0.997) 2.288 8.209 ( 3.779 1.629 -1.223) 4.293 8.503 ( 2.662 -0.391 -8.174) 8.606 8.553 ( 1.610 4.348 -2.151) 5.111 8.689 ( 2.278 1.041 -2.347) 3.433 9.026 ( -2.676 -7.345 7.837) 11.069 9.368 ( 3.907 4.937 -2.572) 6.801 9.568 ( -0.226 1.429 0.508) 1.533 12.043 ( 1.482 5.494 -1.052) 5.787 12.092 ( 0.261 0.206 1.142) 1.189 12.191 ( -0.853 -0.469 0.869) 1.305 12.639 ( 6.401 -1.373 9.564) 11.590 12.931 ( 0.383 -4.156 -2.446) 4.837 13.178 ( 0.710 3.378 -4.438) 5.622 13.348 ( -2.425 1.362 -0.116) 2.783 14.138 ( 0.057 -1.494 6.591) 6.759 14.424 ( 0.183 -0.364 9.108) 9.117 14.546 ( -3.783 -14.048 -19.706) 24.495 15.141 ( -3.010 13.530 6.033) 15.117 16.207 ( 0.572 0.279 -3.411) 3.470 ======================= Grid point 60 (28/104) ======================= q-point: (-0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -15.081 11.265 9.731) 21.190 0.871 ( -13.764 15.951 12.757) 24.629 1.607 ( -21.990 27.155 23.316) 42.007 1.919 ( -1.116 3.305 -3.062) 4.642 2.064 ( 1.593 8.332 1.911) 8.696 2.230 ( 10.821 1.759 1.097) 11.018 2.373 ( 1.610 -0.350 -0.204) 1.660 2.560 ( 0.074 -1.598 -2.533) 2.996 2.666 ( 3.900 0.818 0.735) 4.052 2.750 ( -3.044 -6.493 -4.015) 8.219 2.862 ( 3.086 -3.313 -4.207) 6.180 3.036 ( 0.377 -2.964 0.674) 3.063 3.204 ( -3.108 -3.784 0.623) 4.937 3.400 ( 12.248 1.528 2.753) 12.647 3.425 ( -3.516 1.592 5.288) 6.546 3.584 ( 3.012 7.388 -4.918) 9.372 3.853 ( -7.105 -6.673 -0.578) 9.765 3.957 ( -3.408 -1.177 -4.423) 5.707 4.131 ( -2.525 -4.925 -0.495) 5.556 4.206 ( 3.260 -2.847 2.977) 5.253 4.410 ( 3.322 -1.706 -2.871) 4.711 4.740 ( -0.223 -0.193 4.658) 4.667 4.844 ( 1.398 10.113 -4.773) 11.270 5.100 ( 3.460 -8.455 4.845) 10.341 5.319 ( -0.713 -4.524 2.817) 5.377 5.519 ( 0.457 2.281 -0.066) 2.327 5.759 ( 0.210 -3.196 0.858) 3.316 6.100 ( -2.066 -0.750 3.750) 4.346 6.176 ( -2.093 -3.490 -0.040) 4.069 6.267 ( -7.577 -2.243 1.111) 7.980 6.450 ( 2.152 3.061 -2.835) 4.695 6.589 ( 1.854 -1.107 -0.681) 2.265 6.764 ( 1.474 -2.774 -0.625) 3.203 6.953 ( 3.075 -5.680 -0.750) 6.503 7.025 ( 2.718 -1.078 2.971) 4.169 7.230 ( -4.157 -6.317 0.701) 7.594 7.391 ( -8.320 2.932 -2.485) 9.165 7.413 ( -2.062 10.879 -0.704) 11.095 7.618 ( -2.336 9.957 -1.975) 10.416 8.015 ( 0.901 -0.196 -1.326) 1.616 8.201 ( 1.087 -1.365 1.673) 2.417 8.331 ( 8.455 2.998 -2.531) 9.321 8.523 ( 1.524 -2.452 -4.520) 5.364 8.572 ( 0.546 1.167 -1.730) 2.157 8.731 ( 2.382 -0.295 -0.485) 2.449 8.942 ( -8.112 -9.485 6.032) 13.862 9.466 ( 5.458 5.307 -3.499) 8.379 9.543 ( -2.122 1.041 -1.374) 2.734 12.077 ( 2.181 5.249 -3.612) 6.735 12.107 ( 0.990 0.545 1.112) 1.585 12.173 ( -0.903 -0.224 0.545) 1.078 12.841 ( 6.719 -8.365 6.515) 12.552 12.931 ( 0.249 -4.242 3.528) 5.523 13.185 ( 1.869 3.648 -4.514) 6.097 13.302 ( -0.413 -1.811 -0.231) 1.872 14.147 ( -3.615 -0.676 10.172) 10.816 14.270 ( -10.688 -4.082 -20.672) 23.627 14.535 ( 4.804 -1.470 6.071) 7.880 15.126 ( 0.425 15.552 3.936) 16.048 16.195 ( -0.636 -1.126 -3.314) 3.557 ======================= Grid point 61 (29/104) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.643 23.629 -0.207) 23.638 1.202 ( -2.428 21.639 7.132) 22.913 1.987 ( 1.958 1.050 0.001) 2.222 2.067 ( -1.339 19.612 15.091) 24.783 2.286 ( 0.474 6.829 -2.996) 7.472 2.390 ( -0.944 2.764 3.076) 4.242 2.409 ( -4.308 4.503 0.866) 6.292 2.483 ( 7.369 1.874 0.373) 7.612 2.591 ( 1.177 -4.042 1.919) 4.627 2.756 ( 0.418 -8.033 0.479) 8.058 2.865 ( 1.678 0.449 -1.103) 2.057 2.907 ( 1.410 1.572 -0.896) 2.294 3.136 ( 0.181 -0.338 -0.465) 0.603 3.340 ( -6.352 -1.914 -3.921) 7.706 3.499 ( -2.313 -6.186 -0.341) 6.613 3.545 ( -3.940 -2.265 -4.507) 6.401 3.815 ( 6.169 2.429 -5.493) 8.610 3.889 ( -2.524 -3.105 -1.127) 4.157 4.047 ( 1.169 0.813 4.654) 4.867 4.198 ( 0.998 -1.974 5.682) 6.097 4.345 ( 0.247 -4.680 -0.090) 4.687 4.719 ( -0.953 -11.640 7.406) 13.829 4.886 ( 1.999 -3.028 0.473) 3.659 5.053 ( 1.184 -4.560 2.737) 5.449 5.328 ( -1.471 8.211 0.011) 8.342 5.560 ( 1.065 2.457 -4.189) 4.972 5.631 ( -1.929 -3.146 0.948) 3.810 6.031 ( -1.590 -0.706 1.531) 2.317 6.071 ( -5.117 -1.723 1.985) 5.752 6.198 ( 3.941 -3.199 -1.017) 5.177 6.565 ( 4.070 0.386 -0.191) 4.093 6.649 ( 0.949 -1.073 -0.916) 1.700 6.775 ( -0.088 -4.824 0.807) 4.892 6.813 ( 0.294 4.205 0.886) 4.307 6.997 ( -3.304 -7.643 0.730) 8.359 7.121 ( 1.071 0.590 3.017) 3.255 7.355 ( -0.398 5.361 -1.079) 5.483 7.579 ( 0.598 2.959 -1.368) 3.314 7.800 ( -0.997 8.202 1.012) 8.324 8.024 ( -0.277 1.350 -1.750) 2.228 8.194 ( -1.680 -0.208 0.499) 1.764 8.427 ( -3.776 -1.968 -0.558) 4.294 8.490 ( 4.229 1.917 -2.450) 5.249 8.587 ( 2.768 0.452 -4.377) 5.199 8.692 ( 0.357 -4.016 4.432) 5.992 8.785 ( -1.780 0.588 -0.456) 1.930 9.493 ( -2.928 1.581 -4.863) 5.892 9.560 ( 0.645 0.167 -3.208) 3.276 12.096 ( -0.574 0.121 -0.232) 0.630 12.130 ( -0.029 -0.958 0.731) 1.206 12.269 ( 3.222 4.452 -7.663) 9.430 12.597 ( -5.460 -5.293 -6.349) 9.906 12.885 ( -2.504 1.280 6.656) 7.226 13.221 ( 1.430 -1.754 0.871) 2.425 13.430 ( 7.886 1.047 0.327) 7.962 13.947 ( -1.950 -8.241 -15.758) 17.889 14.240 ( -3.980 9.420 10.475) 14.639 14.608 ( 0.948 -2.577 11.399) 11.725 15.493 ( 2.438 12.184 -0.080) 12.426 16.078 ( -0.527 -5.562 -2.416) 6.087 ======================= Grid point 62 (30/104) ======================= q-point: ( 0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 5.555 20.613 3.625) 21.654 1.202 ( 2.907 20.127 3.451) 20.627 2.029 ( -1.833 2.296 1.242) 3.190 2.109 ( -0.053 4.153 5.018) 6.514 2.200 ( -5.813 5.056 3.916) 8.642 2.383 ( -1.922 5.868 5.066) 7.987 2.411 ( 5.746 13.144 4.832) 15.137 2.604 ( 2.283 -2.251 -4.048) 5.164 2.656 ( 2.450 0.090 1.475) 2.861 2.706 ( 0.224 -3.383 3.099) 4.594 2.946 ( 2.306 2.793 1.901) 4.091 2.979 ( 6.704 0.090 0.318) 6.713 3.154 ( -1.318 -2.763 -2.260) 3.805 3.197 ( -2.872 -3.570 -3.808) 5.958 3.361 ( -4.889 -0.580 -4.728) 6.826 3.507 ( -2.138 -4.208 -4.237) 6.343 3.738 ( -3.104 -0.441 -8.348) 8.917 4.036 ( 0.974 2.200 7.077) 7.475 4.075 ( 6.860 -4.217 0.823) 8.095 4.214 ( -1.045 -3.382 4.478) 5.708 4.348 ( -0.733 -3.422 -0.028) 3.499 4.656 ( -5.503 -12.421 3.302) 13.981 4.973 ( 3.479 -5.031 6.957) 9.264 5.060 ( -1.492 -2.615 1.547) 3.385 5.271 ( -3.447 7.999 -1.831) 8.900 5.534 ( -0.288 5.374 -5.267) 7.530 5.662 ( 1.839 -6.348 1.678) 6.818 5.983 ( -1.600 -3.760 -0.950) 4.195 6.105 ( 6.519 -1.639 1.240) 6.835 6.273 ( 3.534 -2.553 0.096) 4.361 6.607 ( -0.667 -0.885 0.660) 1.290 6.631 ( -2.840 -1.709 1.814) 3.778 6.752 ( -1.857 -5.880 0.796) 6.217 6.805 ( -1.831 7.450 1.516) 7.820 6.935 ( -1.836 -6.167 -0.886) 6.495 7.115 ( -2.235 1.742 4.705) 5.493 7.430 ( 6.698 3.199 -1.489) 7.571 7.598 ( 2.139 1.461 -3.099) 4.039 7.784 ( -1.347 6.133 2.181) 6.648 8.027 ( 1.227 0.884 -4.267) 4.527 8.119 ( -3.350 1.381 -0.420) 3.648 8.382 ( -1.458 -4.651 -1.080) 4.993 8.569 ( 1.775 5.241 0.268) 5.540 8.604 ( -0.080 0.259 -2.427) 2.442 8.662 ( -0.544 2.774 -2.354) 3.679 8.813 ( 2.675 -2.330 2.919) 4.594 9.425 ( -1.551 2.749 -4.658) 5.627 9.548 ( -0.032 0.311 -3.930) 3.942 12.084 ( -0.363 0.456 -0.413) 0.714 12.141 ( 0.840 -1.085 0.583) 1.491 12.288 ( 0.756 4.829 -8.785) 10.053 12.459 ( -4.458 0.315 -0.651) 4.517 12.867 ( -0.823 0.746 3.182) 3.370 13.214 ( -1.271 -0.610 -1.414) 1.997 13.624 ( 7.351 -1.889 4.931) 9.051 13.865 ( 0.117 -6.400 -13.983) 15.379 14.199 ( -3.434 5.614 10.417) 12.322 14.620 ( -2.829 -4.574 7.337) 9.097 15.528 ( 0.325 11.856 1.917) 12.014 16.093 ( 2.638 -4.979 -3.524) 6.646 ======================= Grid point 63 (31/104) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 6.088 15.552 3.386) 17.041 1.409 ( 11.900 12.968 1.532) 17.667 1.879 ( -12.049 5.685 2.430) 13.542 2.011 ( -5.108 1.417 5.897) 7.929 2.186 ( -5.489 1.016 0.918) 5.657 2.334 ( -1.356 -2.362 2.444) 3.659 2.511 ( 4.277 12.080 -1.591) 12.913 2.665 ( -0.161 -4.761 -2.884) 5.569 2.745 ( 5.362 0.883 6.439) 8.426 2.768 ( 4.109 5.875 2.636) 7.639 2.949 ( -1.687 2.337 0.298) 2.898 3.002 ( -2.889 0.041 -5.341) 6.073 3.174 ( 5.431 4.037 1.841) 7.013 3.239 ( 4.353 -4.558 0.797) 6.353 3.312 ( 0.244 0.724 -0.540) 0.936 3.410 ( -2.355 1.247 -5.859) 6.437 3.723 ( 3.171 -4.742 -5.361) 7.828 3.966 ( -7.123 4.881 6.551) 10.839 4.177 ( -0.598 -4.271 1.868) 4.699 4.272 ( 4.788 -6.540 0.279) 8.110 4.290 ( -3.684 -5.294 -1.531) 6.628 4.582 ( -2.415 -9.170 6.356) 11.416 5.005 ( -2.202 -1.168 0.342) 2.516 5.065 ( 1.674 -4.821 4.662) 6.912 5.188 ( -3.030 7.346 -2.495) 8.328 5.508 ( -0.503 4.722 -6.166) 7.783 5.686 ( 0.051 -3.147 3.378) 4.617 5.982 ( 1.176 -5.596 0.683) 5.759 6.278 ( 7.590 -4.256 1.573) 8.843 6.340 ( 2.941 -1.866 -0.010) 3.483 6.542 ( -4.600 -1.292 0.136) 4.780 6.566 ( -3.729 -2.414 1.308) 4.630 6.720 ( -1.669 -1.724 1.703) 2.942 6.753 ( -2.711 3.676 0.572) 4.603 6.931 ( 1.502 -5.372 -0.263) 5.584 7.080 ( -2.745 0.650 4.969) 5.714 7.564 ( 5.020 -0.438 -1.788) 5.347 7.648 ( 4.551 1.325 -2.766) 5.488 7.750 ( -2.598 6.006 1.886) 6.810 8.034 ( 2.208 -1.351 -7.055) 7.515 8.102 ( 0.587 2.336 0.640) 2.493 8.313 ( -5.685 -0.841 1.273) 5.887 8.503 ( -2.557 2.154 -3.656) 4.954 8.647 ( 2.247 1.435 -1.200) 2.924 8.684 ( 2.164 6.458 -4.771) 8.316 8.875 ( 1.792 -2.842 5.403) 6.362 9.399 ( 0.485 3.158 -4.468) 5.493 9.547 ( 1.144 0.088 -2.429) 2.686 12.081 ( 0.274 1.125 -0.414) 1.230 12.165 ( 1.032 -0.988 0.615) 1.556 12.232 ( -2.417 6.257 -5.538) 8.699 12.438 ( 1.404 -0.734 0.196) 1.596 12.871 ( 0.300 0.442 0.941) 1.082 13.178 ( -1.560 -1.974 -0.722) 2.618 13.655 ( -3.076 4.432 -7.165) 8.968 13.935 ( 7.612 -10.550 2.239) 13.200 14.174 ( -2.296 1.179 8.090) 8.491 14.563 ( -4.227 -4.989 4.162) 7.751 15.525 ( -1.241 13.612 2.604) 13.914 16.138 ( 2.650 -4.343 -4.050) 6.503 ======================= Grid point 64 (32/104) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 3.325 8.703 2.863) 9.746 1.551 ( -4.047 10.545 -3.413) 11.799 1.743 ( 4.735 6.434 7.187) 10.746 1.916 ( -6.430 9.792 10.838) 15.959 2.080 ( -0.564 -1.033 -3.227) 3.435 2.326 ( -0.960 -3.251 -1.674) 3.780 2.539 ( -2.697 6.143 -3.530) 7.581 2.608 ( -2.455 -5.183 -3.749) 6.851 2.759 ( -1.193 -3.150 -3.465) 4.832 2.801 ( -1.714 1.342 -0.448) 2.223 2.959 ( -0.793 5.029 0.676) 5.136 3.010 ( 3.434 2.681 4.958) 6.601 3.219 ( -1.391 0.358 2.508) 2.890 3.246 ( -1.277 9.795 -1.669) 10.018 3.399 ( 6.631 -0.857 4.272) 7.934 3.506 ( 8.579 2.861 0.667) 9.068 3.745 ( -0.867 2.545 -1.493) 3.075 3.848 ( -3.668 -4.187 0.627) 5.602 4.143 ( -4.811 -4.240 -0.272) 6.418 4.230 ( 2.626 -4.597 1.066) 5.400 4.324 ( -0.765 -7.606 -2.413) 8.016 4.592 ( -0.130 -9.040 9.320) 12.985 4.961 ( -1.801 -1.317 -1.843) 2.894 5.050 ( -2.967 2.908 -1.116) 4.302 5.192 ( 3.072 2.069 1.644) 4.052 5.483 ( 0.684 1.921 -5.462) 5.830 5.706 ( 0.752 0.798 3.902) 4.053 6.012 ( 0.691 -6.105 2.037) 6.473 6.312 ( -3.412 -0.633 1.427) 3.753 6.422 ( 2.126 -5.059 0.669) 5.528 6.472 ( -3.049 -0.686 0.296) 3.139 6.507 ( 0.076 -2.885 -1.063) 3.076 6.684 ( -1.477 4.379 1.070) 4.743 6.739 ( 0.912 -3.602 0.416) 3.738 6.977 ( 1.890 -1.752 1.080) 2.794 7.048 ( -1.231 -5.100 4.061) 6.635 7.593 ( -0.143 -0.088 -1.960) 1.967 7.677 ( -3.312 0.681 2.086) 3.973 7.807 ( 9.033 5.127 -5.798) 11.895 8.049 ( -4.423 1.299 4.028) 6.122 8.097 ( 1.062 1.662 -2.675) 3.324 8.215 ( -0.789 2.895 -2.209) 3.726 8.472 ( 0.766 -1.407 -6.360) 6.558 8.674 ( 0.706 -0.234 -0.315) 0.808 8.693 ( 0.319 7.138 -4.219) 8.298 8.919 ( 0.091 -3.047 5.834) 6.582 9.409 ( 1.966 3.751 -3.825) 5.707 9.570 ( 1.340 -0.243 -0.889) 1.626 12.091 ( 0.664 1.356 -0.157) 1.518 12.169 ( -0.826 3.048 -1.728) 3.600 12.191 ( 0.191 2.345 -1.406) 2.741 12.489 ( 3.246 -2.424 0.714) 4.114 12.882 ( 0.462 0.322 0.200) 0.598 13.154 ( -0.526 -3.289 0.112) 3.332 13.538 ( -4.398 4.538 -9.669) 11.551 14.103 ( 6.369 -12.621 4.376) 14.799 14.156 ( -1.847 1.518 7.012) 7.408 14.494 ( -3.404 -2.965 3.509) 5.718 15.500 ( -1.863 15.040 1.748) 15.255 16.165 ( 1.204 -4.203 -3.761) 5.767 ======================= Grid point 65 (33/104) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -9.765 16.428 3.519) 19.433 1.432 ( -8.975 13.952 1.560) 16.662 1.923 ( 6.701 2.936 3.315) 8.032 1.954 ( 7.339 7.156 6.801) 12.302 2.129 ( 4.317 1.448 -0.043) 4.554 2.266 ( -3.427 -4.281 -4.000) 6.787 2.415 ( -5.124 2.973 -3.079) 6.676 2.570 ( -0.057 -3.369 -1.942) 3.889 2.714 ( -3.177 1.422 -0.612) 3.534 2.780 ( -0.538 2.952 -2.390) 3.837 2.886 ( -5.147 6.064 3.533) 8.703 3.034 ( -4.172 0.922 -3.330) 5.418 3.186 ( -2.137 2.289 -0.823) 3.238 3.249 ( 4.099 3.182 7.544) 9.156 3.514 ( 1.440 3.559 6.460) 7.515 3.666 ( 5.326 3.820 -1.422) 6.707 3.766 ( 0.452 -9.261 -5.404) 10.732 3.801 ( 2.429 1.841 3.872) 4.928 4.056 ( -2.170 -6.959 -3.404) 8.045 4.244 ( -5.553 -5.183 0.037) 7.597 4.319 ( 3.511 -1.930 0.686) 4.065 4.630 ( 0.735 -10.553 8.896) 13.822 4.906 ( -2.399 -2.078 -2.136) 3.826 5.009 ( -0.242 3.233 -0.994) 3.391 5.270 ( 3.392 3.387 1.505) 5.025 5.498 ( 2.024 -0.478 -3.620) 4.175 5.733 ( -0.021 1.340 2.781) 3.087 6.029 ( 1.115 -4.502 1.784) 4.970 6.220 ( -5.174 -0.723 0.615) 5.260 6.369 ( -6.720 -2.941 1.932) 7.585 6.441 ( 1.145 -1.442 -2.514) 3.116 6.550 ( 2.876 -0.927 -0.637) 3.088 6.690 ( 1.725 2.150 -0.059) 2.757 6.771 ( 1.543 -3.861 1.192) 4.326 7.001 ( 0.900 0.205 1.675) 1.913 7.065 ( 0.411 -9.024 3.607) 9.727 7.566 ( -2.252 2.383 -2.860) 4.351 7.606 ( -3.554 -0.157 0.934) 3.678 7.895 ( -5.642 11.130 4.724) 13.343 7.978 ( 5.324 1.887 -3.549) 6.671 8.138 ( 2.394 -1.118 -2.182) 3.427 8.259 ( 5.014 2.210 -2.225) 5.914 8.471 ( 1.221 -1.955 -6.173) 6.590 8.668 ( -1.301 5.348 -1.245) 5.643 8.681 ( -0.312 -2.859 -1.177) 3.107 8.906 ( -3.121 -3.418 3.876) 6.037 9.457 ( 3.587 3.597 -1.748) 5.373 9.583 ( 0.076 -0.117 -1.159) 1.167 12.100 ( 0.073 0.809 0.687) 1.064 12.156 ( -0.058 2.277 -1.968) 3.011 12.196 ( 1.118 3.099 -2.525) 4.150 12.576 ( 4.595 -4.865 1.301) 6.817 12.888 ( -0.188 0.458 2.125) 2.181 13.157 ( 0.587 -4.137 0.054) 4.179 13.420 ( -3.252 5.111 -9.458) 11.232 14.112 ( -1.888 -11.000 -3.285) 11.634 14.244 ( 3.111 -0.502 7.911) 8.515 14.461 ( -1.262 1.073 7.926) 8.098 15.467 ( -1.456 15.397 0.420) 15.472 16.159 ( -0.560 -4.929 -3.263) 5.937 ======================= Grid point 66 (34/104) ======================= q-point: (-0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -5.664 22.812 -0.521) 23.511 1.262 ( -7.066 19.243 7.630) 21.873 1.972 ( 0.410 2.733 -0.292) 2.779 2.109 ( -6.159 10.679 8.712) 15.095 2.213 ( 11.290 4.049 3.285) 12.436 2.279 ( 4.739 1.232 -2.356) 5.434 2.358 ( 0.473 -0.131 0.476) 0.683 2.548 ( -3.780 -4.861 -2.878) 6.797 2.655 ( -3.335 10.177 2.259) 10.945 2.705 ( -2.460 0.676 2.480) 3.558 2.844 ( 1.391 3.371 -4.218) 5.576 2.935 ( -2.898 -4.635 -1.476) 5.662 3.157 ( -1.111 -0.742 -0.950) 1.639 3.398 ( 6.249 -2.214 2.142) 6.967 3.486 ( -4.907 3.835 4.756) 7.837 3.670 ( -3.762 -9.851 -1.506) 10.652 3.738 ( 1.595 5.636 -6.570) 8.802 3.934 ( 4.281 0.496 2.221) 4.848 4.012 ( -1.325 -7.393 -3.735) 8.388 4.163 ( -1.262 -1.191 4.878) 5.177 4.349 ( -0.168 -3.142 0.003) 3.146 4.678 ( 0.758 -8.206 8.153) 11.592 4.876 ( 0.231 -4.292 -2.211) 4.833 5.019 ( 0.917 -1.377 1.391) 2.161 5.327 ( 1.313 6.429 1.220) 6.674 5.530 ( 2.027 -1.021 -2.329) 3.252 5.703 ( -3.210 -0.255 0.081) 3.221 6.081 ( -0.084 -1.112 3.716) 3.880 6.123 ( -1.431 -2.000 0.250) 2.471 6.217 ( -7.741 -2.887 0.703) 8.292 6.480 ( 3.791 0.764 -2.804) 4.776 6.609 ( 2.902 -0.908 -1.094) 3.231 6.740 ( 2.774 0.588 -0.443) 2.870 6.800 ( 0.668 -2.705 1.409) 3.123 7.035 ( 0.167 -7.227 3.054) 7.848 7.073 ( 0.704 -1.614 1.368) 2.229 7.447 ( -6.725 2.986 -0.751) 7.396 7.577 ( -0.188 3.286 -0.144) 3.294 7.824 ( -2.110 10.288 2.093) 10.709 8.037 ( 0.665 1.973 -1.999) 2.887 8.178 ( 1.927 -0.610 -0.093) 2.023 8.382 ( 6.409 0.485 -1.966) 6.722 8.487 ( 2.178 0.340 -5.168) 5.619 8.601 ( -4.419 0.765 -1.693) 4.794 8.672 ( -0.304 -4.739 1.998) 5.151 8.841 ( -3.308 -1.443 1.212) 3.807 9.528 ( 3.216 1.586 -1.449) 3.867 9.559 ( -1.730 0.366 -3.015) 3.495 12.102 ( -0.081 0.255 0.545) 0.607 12.140 ( -0.942 -0.272 0.073) 0.983 12.226 ( 3.075 4.906 -6.108) 8.416 12.656 ( 2.074 -8.758 -3.722) 9.740 12.897 ( -0.768 1.073 7.550) 7.665 13.171 ( 1.131 -4.046 1.114) 4.347 13.359 ( 0.831 6.556 -7.365) 9.895 14.043 ( -2.308 -11.862 -10.774) 16.190 14.276 ( -2.123 6.759 7.021) 9.974 14.518 ( 2.431 0.305 13.289) 13.513 15.456 ( 0.743 14.404 -0.553) 14.433 16.120 ( -1.976 -5.789 -2.645) 6.664 ======================= Grid point 67 (35/104) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.040 21.034 -2.383) 21.168 1.620 ( -1.343 17.325 3.961) 17.823 1.894 ( 0.654 -9.583 1.266) 9.688 1.975 ( -0.889 -15.758 -1.464) 15.851 2.358 ( -0.532 2.647 -3.414) 4.353 2.405 ( 1.437 -1.010 -1.155) 2.102 2.477 ( 5.636 0.721 4.925) 7.520 2.530 ( 3.563 -4.397 3.140) 6.472 2.702 ( 0.656 8.086 0.907) 8.163 2.843 ( 3.919 -3.622 0.567) 5.367 2.931 ( -3.828 15.437 2.479) 16.097 3.023 ( -0.717 14.607 2.188) 14.788 3.108 ( -0.916 -5.799 -3.958) 7.080 3.238 ( -3.771 -2.455 -3.118) 5.474 3.478 ( -3.136 -2.166 -4.356) 5.788 3.519 ( -6.379 4.087 -2.453) 7.963 3.688 ( 4.440 -11.000 4.965) 12.860 3.752 ( 0.350 -8.475 -6.285) 10.557 4.121 ( 0.877 5.138 7.133) 8.835 4.239 ( 1.915 -5.009 4.114) 6.759 4.264 ( -2.305 6.477 4.391) 8.157 4.453 ( -2.529 -11.138 5.610) 12.725 4.875 ( 1.729 1.475 1.085) 2.518 4.941 ( 0.909 -4.656 1.341) 4.930 5.448 ( -0.476 2.870 0.210) 2.917 5.507 ( 1.019 -3.387 0.255) 3.546 5.779 ( -2.217 11.584 -5.609) 13.060 5.982 ( -4.514 -5.738 -4.625) 8.643 6.047 ( -0.813 0.465 2.786) 2.939 6.099 ( 2.862 -4.728 1.704) 5.784 6.570 ( 2.327 0.392 -0.363) 2.387 6.597 ( 1.191 -2.235 -0.889) 2.685 6.737 ( -1.097 2.007 3.442) 4.132 6.835 ( -1.851 -6.647 3.169) 7.593 6.965 ( 2.662 7.390 -0.622) 7.880 7.091 ( 2.303 -3.843 0.478) 4.506 7.461 ( -0.934 4.722 0.010) 4.814 7.554 ( -1.078 -3.744 2.158) 4.454 7.991 ( -2.374 7.874 -1.371) 8.337 8.056 ( -1.293 0.733 -1.887) 2.402 8.199 ( -0.588 2.252 1.949) 3.036 8.333 ( -3.009 -7.572 1.301) 8.251 8.547 ( 4.890 2.599 -4.252) 6.982 8.584 ( 3.940 -0.895 -4.485) 6.036 8.673 ( 0.019 2.865 2.444) 3.766 8.754 ( -1.200 -3.364 0.176) 3.576 9.524 ( -1.499 1.309 -3.988) 4.457 9.549 ( -0.213 -0.995 -3.205) 3.362 12.101 ( -0.527 0.392 0.341) 0.740 12.112 ( -0.315 -0.660 0.578) 0.933 12.362 ( 2.077 4.662 -7.206) 8.831 12.474 ( -0.080 -5.834 -7.306) 9.350 12.969 ( -1.331 5.932 6.277) 8.738 13.111 ( 1.125 -6.852 5.172) 8.658 13.544 ( 2.688 8.131 -6.789) 10.928 13.741 ( 0.387 -10.026 -10.531) 14.545 14.432 ( -3.029 7.635 10.095) 13.015 14.551 ( -1.341 -3.627 11.228) 11.875 15.731 ( 1.166 10.282 -1.244) 10.422 15.930 ( 0.230 -8.270 -1.961) 8.503 ======================= Grid point 68 (36/104) ======================= q-point: ( 0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 4.186 18.939 -1.728) 19.473 1.613 ( -0.300 17.969 3.104) 18.238 1.936 ( 0.787 -11.068 0.970) 11.138 1.969 ( 2.249 -13.210 -1.777) 13.518 2.248 ( -8.323 3.679 -0.548) 9.116 2.349 ( -5.507 -5.052 0.236) 7.477 2.573 ( 2.924 1.231 6.426) 7.166 2.617 ( 1.908 -3.005 4.879) 6.040 2.764 ( 3.770 12.598 -1.042) 13.191 2.884 ( 0.425 8.466 3.381) 9.126 2.968 ( 3.820 -1.152 1.654) 4.319 3.020 ( -1.943 -7.630 -0.604) 7.896 3.120 ( 2.471 6.715 -5.472) 9.008 3.169 ( 0.924 5.343 -3.649) 6.536 3.383 ( -2.459 -0.540 -5.613) 6.152 3.435 ( 0.408 0.154 -1.405) 1.471 3.702 ( -1.661 -0.740 -3.978) 4.374 3.854 ( 7.749 -12.855 -0.315) 15.013 4.135 ( -1.774 4.500 8.458) 9.743 4.199 ( -3.537 0.846 5.983) 7.001 4.289 ( -1.082 -1.324 3.207) 3.634 4.393 ( -4.641 -10.412 6.163) 12.958 4.926 ( 2.080 0.267 2.062) 2.940 4.972 ( 1.242 -3.788 0.784) 4.063 5.432 ( -1.088 5.579 -0.983) 5.769 5.537 ( 1.501 -4.968 -0.157) 5.193 5.706 ( -1.841 9.783 -5.081) 11.177 5.886 ( -2.771 -6.184 -3.882) 7.810 6.103 ( 5.023 1.673 0.780) 5.352 6.180 ( 4.494 -5.154 -0.163) 6.840 6.579 ( -1.682 -1.074 0.955) 2.213 6.584 ( -2.365 -1.533 0.054) 2.819 6.718 ( -1.715 1.934 3.384) 4.259 6.802 ( -1.903 -5.571 2.345) 6.337 6.981 ( -1.662 7.840 2.474) 8.388 7.105 ( -1.748 -3.237 3.588) 5.139 7.490 ( 3.696 3.036 -1.567) 5.033 7.562 ( 1.511 -3.437 0.670) 3.814 7.946 ( -1.314 7.063 -3.391) 7.944 8.031 ( -0.396 -1.210 -5.101) 5.257 8.168 ( -1.988 3.692 1.269) 4.381 8.277 ( -1.911 -5.572 0.660) 5.927 8.605 ( -0.162 0.309 -1.116) 1.169 8.619 ( 1.037 -0.443 -1.036) 1.531 8.717 ( 3.755 3.333 1.131) 5.147 8.777 ( 3.018 -1.914 -0.314) 3.587 9.482 ( -0.775 2.519 -4.503) 5.217 9.529 ( -0.152 -1.779 -4.066) 4.441 12.097 ( 0.156 0.840 0.051) 0.856 12.118 ( 0.663 -1.062 0.342) 1.298 12.368 ( 0.943 3.254 -7.361) 8.103 12.433 ( -1.196 -2.588 -5.721) 6.392 12.958 ( -1.535 7.118 4.969) 8.816 13.126 ( -1.318 -7.386 3.217) 8.164 13.608 ( 4.968 2.523 -2.678) 6.182 13.716 ( 0.605 -6.832 -9.545) 11.754 14.380 ( -5.058 8.740 9.749) 14.036 14.528 ( -4.217 -5.137 9.486) 11.582 15.763 ( 1.885 10.130 -0.546) 10.318 15.955 ( 2.654 -7.849 -2.285) 8.595 ======================= Grid point 69 (37/104) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 1.953 17.328 1.753) 17.525 1.712 ( 6.530 14.544 -0.832) 15.965 1.934 ( -0.989 -7.583 1.251) 7.749 2.006 ( -0.696 -4.512 -2.035) 4.998 2.080 ( -5.075 -0.790 1.133) 5.260 2.224 ( -6.067 -7.125 1.294) 9.447 2.581 ( -4.570 1.158 0.100) 4.715 2.653 ( 0.075 -4.158 3.474) 5.419 2.814 ( 0.782 10.876 -0.137) 10.905 2.918 ( -0.031 -1.940 -1.001) 2.183 2.982 ( 1.102 7.185 2.853) 7.809 3.023 ( -0.552 2.059 -4.565) 5.038 3.100 ( 4.436 -5.805 0.762) 7.345 3.214 ( 0.277 -6.381 -5.189) 8.230 3.444 ( 7.572 7.930 -0.260) 10.967 3.489 ( 3.393 2.601 -0.774) 4.345 3.684 ( 3.010 8.341 -1.642) 9.018 3.995 ( 5.353 -14.252 -1.278) 15.278 4.102 ( -4.869 5.368 6.414) 9.678 4.160 ( -1.748 -0.661 6.071) 6.352 4.207 ( -6.816 -1.446 1.680) 7.167 4.348 ( -2.345 -11.324 10.219) 15.432 4.960 ( 0.465 -0.599 0.422) 0.868 4.988 ( 0.357 -2.788 0.377) 2.836 5.394 ( -1.493 9.137 -3.128) 9.773 5.538 ( -0.969 -3.921 -4.118) 5.768 5.697 ( 1.809 6.074 -0.218) 6.341 5.852 ( 0.326 -7.002 -1.192) 7.110 6.232 ( 6.468 -0.010 0.327) 6.476 6.274 ( 4.163 -3.462 -0.587) 5.446 6.509 ( -4.483 -0.910 1.215) 4.733 6.517 ( -4.102 -1.680 0.336) 4.446 6.704 ( -0.440 1.852 2.700) 3.303 6.784 ( -0.603 -4.825 1.724) 5.159 6.929 ( -3.666 6.999 3.780) 8.758 7.054 ( -4.311 -3.768 4.689) 7.401 7.571 ( 3.800 1.417 -1.826) 4.447 7.616 ( 3.139 -2.496 -0.069) 4.011 7.909 ( -0.581 6.439 -4.796) 8.050 7.997 ( 0.035 -2.356 -6.471) 6.886 8.165 ( 1.054 3.767 0.510) 3.945 8.256 ( -0.506 -4.132 0.425) 4.184 8.552 ( -3.863 3.104 1.253) 5.111 8.627 ( -0.756 -3.113 1.430) 3.508 8.798 ( 3.351 3.663 -2.726) 5.664 8.842 ( 2.954 -0.946 -0.046) 3.103 9.467 ( 0.820 3.049 -3.970) 5.073 9.523 ( 0.998 -2.098 -3.310) 4.044 12.108 ( 0.768 1.452 0.061) 1.644 12.139 ( 1.108 -1.395 0.380) 1.822 12.340 ( -0.905 3.834 -7.122) 8.139 12.404 ( 0.328 -2.370 -4.368) 4.980 12.947 ( -0.970 6.267 3.307) 7.153 13.093 ( -2.266 -6.172 1.571) 6.760 13.673 ( 0.059 -0.195 -6.646) 6.649 13.726 ( 4.303 -6.376 -1.786) 7.897 14.317 ( -3.858 8.521 9.803) 13.550 14.467 ( -4.187 -5.279 8.466) 10.821 15.793 ( 1.012 11.367 -0.610) 11.429 16.003 ( 2.378 -8.234 -2.683) 8.981 ======================= Grid point 70 (38/104) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 2.721 16.088 2.672) 16.533 1.812 ( -1.073 12.286 -3.595) 12.846 1.880 ( 1.039 4.465 5.084) 6.846 2.004 ( 3.025 -4.381 -1.544) 5.543 2.048 ( -1.305 -2.816 1.223) 3.336 2.132 ( -2.995 -9.596 1.472) 10.160 2.481 ( -3.448 -1.987 -4.798) 6.233 2.550 ( -7.409 -5.745 -4.537) 10.416 2.837 ( 0.120 3.921 0.580) 3.965 2.857 ( -3.469 2.986 -4.035) 6.102 2.969 ( 0.665 5.122 -4.756) 7.021 3.107 ( 4.374 2.910 6.822) 8.610 3.161 ( -0.220 -3.185 1.284) 3.441 3.287 ( 7.537 -8.547 1.598) 11.507 3.511 ( 1.002 8.888 0.719) 8.974 3.588 ( 3.380 -0.523 0.803) 3.514 3.788 ( 4.261 11.666 -0.418) 12.427 3.958 ( -6.665 5.916 2.038) 9.142 4.036 ( -6.005 -5.208 -2.258) 8.263 4.103 ( 0.263 -10.269 2.363) 10.541 4.192 ( 1.994 0.939 7.098) 7.432 4.353 ( -1.148 -11.826 11.397) 16.464 4.946 ( -1.258 0.723 -1.481) 2.073 4.996 ( -0.169 -3.775 0.434) 3.804 5.372 ( 0.931 9.132 -3.280) 9.748 5.495 ( -0.740 -2.057 -5.267) 5.703 5.750 ( 2.463 4.070 1.785) 5.082 5.874 ( 1.565 -6.699 0.548) 6.901 6.305 ( -1.636 0.294 0.425) 1.716 6.338 ( 1.855 -2.784 1.142) 3.535 6.434 ( -2.880 -0.927 -0.650) 3.095 6.454 ( -0.002 -2.157 0.602) 2.240 6.718 ( 0.621 1.780 2.030) 2.771 6.775 ( -0.840 -0.196 1.060) 1.367 6.897 ( -0.201 0.652 3.139) 3.213 6.980 ( -3.419 -3.890 3.185) 6.080 7.613 ( 0.755 1.610 -1.074) 2.077 7.651 ( -0.659 -1.904 0.078) 2.016 7.923 ( 4.605 5.237 -5.730) 9.025 8.012 ( 3.304 -3.020 -3.949) 5.969 8.187 ( -0.189 4.222 1.802) 4.594 8.251 ( -0.049 -0.906 0.125) 0.916 8.479 ( -2.659 3.604 -1.110) 4.614 8.598 ( -2.409 -5.913 1.681) 6.602 8.822 ( 0.132 4.436 -3.319) 5.541 8.881 ( 0.559 -1.461 -0.515) 1.647 9.485 ( 1.999 3.264 -2.750) 4.713 9.543 ( 1.636 -2.139 -1.925) 3.310 12.123 ( 0.408 1.691 0.490) 1.807 12.157 ( 0.213 -1.364 0.700) 1.548 12.304 ( 0.329 5.353 -6.596) 8.502 12.411 ( 1.891 -4.613 -4.649) 6.817 12.941 ( -0.599 4.831 2.681) 5.557 13.058 ( -1.381 -5.468 1.474) 5.829 13.623 ( -1.641 5.018 -7.448) 9.130 13.796 ( 2.347 -11.683 -2.462) 12.168 14.307 ( -0.608 7.706 10.942) 13.397 14.434 ( -1.802 -3.995 8.970) 9.983 15.796 ( -0.499 12.484 -1.212) 12.553 16.024 ( 0.514 -8.852 -2.826) 9.306 ======================= Grid point 71 (39/104) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -4.082 18.127 3.351) 18.880 1.744 ( -3.780 14.757 -1.873) 15.348 1.950 ( 0.966 -3.201 3.095) 4.556 2.045 ( 0.710 -9.422 -3.418) 10.048 2.091 ( 2.981 0.074 2.758) 4.062 2.134 ( 6.431 -1.150 0.343) 6.542 2.399 ( -3.621 -2.955 -5.061) 6.889 2.429 ( 0.033 -4.598 -3.648) 5.869 2.785 ( -2.329 2.052 -3.559) 4.723 2.825 ( -0.389 -1.487 -2.928) 3.307 2.971 ( 1.102 8.370 -1.314) 8.544 3.120 ( -2.746 -2.171 1.558) 3.832 3.253 ( 5.462 6.996 6.394) 10.939 3.395 ( -4.138 2.809 2.472) 5.579 3.469 ( -1.285 -2.181 0.237) 2.543 3.593 ( -3.053 -2.671 4.465) 6.032 3.824 ( -0.654 5.947 -2.717) 6.571 3.909 ( -3.818 -2.724 -3.878) 6.086 3.918 ( 2.379 4.868 3.170) 6.277 4.088 ( -1.384 -8.656 2.933) 9.244 4.288 ( 3.287 -0.127 5.215) 6.166 4.386 ( 0.569 -10.025 10.615) 14.611 4.907 ( -1.901 1.910 -1.428) 3.050 4.974 ( -1.779 -3.823 -0.417) 4.237 5.406 ( 2.568 5.900 -1.264) 6.558 5.482 ( 0.825 -1.595 -3.597) 4.021 5.795 ( 1.264 5.069 0.266) 5.231 5.923 ( 3.311 -5.819 0.047) 6.695 6.225 ( -5.519 1.422 1.380) 5.864 6.286 ( -5.924 -4.100 1.816) 7.430 6.439 ( 2.592 1.378 -1.450) 3.274 6.492 ( 2.764 -3.226 -0.578) 4.287 6.725 ( -0.321 2.146 2.469) 3.287 6.790 ( 2.074 -0.068 -0.018) 2.075 6.903 ( -0.893 -1.372 3.586) 3.942 6.973 ( 1.975 -3.848 0.173) 4.329 7.597 ( -3.296 0.759 -0.533) 3.424 7.605 ( -1.492 0.007 0.193) 1.504 8.031 ( 5.973 3.379 -4.042) 7.964 8.092 ( 4.565 -0.481 -0.224) 4.595 8.143 ( -4.429 7.802 3.214) 9.530 8.270 ( 1.643 -2.234 1.220) 3.029 8.452 ( 1.206 1.268 -4.780) 5.090 8.550 ( -2.172 -7.118 -0.540) 7.462 8.785 ( -2.597 4.645 -2.365) 5.823 8.858 ( -2.267 -2.264 -1.097) 3.387 9.522 ( 2.137 2.538 -1.596) 3.682 9.565 ( 0.834 -1.489 -1.590) 2.333 12.123 ( -0.579 1.316 0.950) 1.723 12.150 ( -1.057 -1.067 0.848) 1.725 12.310 ( 2.359 6.044 -7.093) 9.613 12.446 ( 3.001 -6.672 -5.380) 9.081 12.943 ( -0.257 4.246 4.093) 5.903 13.050 ( -0.100 -5.391 2.045) 5.767 13.566 ( -0.913 8.870 -7.689) 11.774 13.804 ( 0.286 -13.467 -6.300) 14.871 14.362 ( 1.411 6.243 11.777) 13.404 14.455 ( 0.203 -2.200 10.346) 10.579 15.768 ( -1.496 12.727 -1.763) 12.935 16.004 ( -1.359 -9.396 -2.694) 9.868 ======================= Grid point 72 (40/104) ======================= q-point: (-0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -3.519 20.729 -3.221) 21.271 1.649 ( -3.724 16.464 4.528) 17.477 1.926 ( -3.365 -7.973 1.089) 8.722 2.000 ( -1.121 -14.342 -1.863) 14.506 2.264 ( 9.646 1.471 0.865) 9.796 2.290 ( 7.470 -0.705 -0.796) 7.545 2.377 ( 2.022 2.506 -0.724) 3.300 2.459 ( 2.841 -4.273 -0.016) 5.131 2.726 ( -2.160 3.481 -1.700) 4.435 2.812 ( 0.267 -3.024 -3.151) 4.376 2.989 ( -0.001 7.942 -1.890) 8.164 3.070 ( -3.160 7.920 4.167) 9.491 3.188 ( -8.877 9.960 1.826) 13.466 3.339 ( -3.252 -1.746 0.941) 3.809 3.466 ( 2.781 -5.089 -1.705) 6.045 3.589 ( -0.096 -0.349 6.213) 6.224 3.716 ( -6.855 -6.244 -2.475) 9.597 3.811 ( -3.442 -6.713 -7.201) 10.429 4.036 ( 4.754 5.893 6.527) 9.997 4.138 ( 4.337 -2.154 4.033) 6.302 4.313 ( -2.054 1.324 3.785) 4.506 4.445 ( 0.914 -10.277 7.819) 12.945 4.867 ( -1.049 2.090 -0.853) 2.489 4.940 ( -1.131 -4.366 0.578) 4.547 5.444 ( 1.004 3.007 0.180) 3.175 5.492 ( 0.828 -2.104 -1.328) 2.622 5.809 ( 0.558 9.297 -2.917) 9.760 6.002 ( 4.060 -7.242 -1.946) 8.527 6.106 ( -6.033 0.932 2.221) 6.496 6.150 ( -7.222 -2.981 2.491) 8.200 6.503 ( 3.920 1.584 -1.710) 4.561 6.552 ( 3.149 -2.963 -1.297) 4.514 6.735 ( 0.044 2.128 3.108) 3.767 6.837 ( 1.276 -5.725 1.838) 6.147 6.910 ( 1.513 4.883 0.478) 5.134 7.028 ( 3.232 -4.291 -0.790) 5.430 7.516 ( -3.859 3.332 0.368) 5.111 7.578 ( -1.593 -2.123 1.460) 3.029 8.058 ( -4.048 9.080 1.257) 10.021 8.086 ( -0.097 2.501 -0.998) 2.695 8.173 ( 2.563 1.517 0.940) 3.123 8.328 ( 2.548 -6.817 3.460) 8.058 8.498 ( 4.558 -0.154 -6.028) 7.559 8.513 ( 0.157 -3.290 -3.898) 5.103 8.710 ( -3.480 4.727 -0.540) 5.895 8.799 ( -2.664 -3.131 -0.736) 4.177 9.551 ( 1.021 0.674 -1.855) 2.222 9.560 ( -0.645 -0.221 -2.559) 2.648 12.112 ( -0.711 0.653 0.842) 1.281 12.127 ( -1.232 -0.708 0.741) 1.602 12.338 ( 2.665 5.786 -7.368) 9.740 12.480 ( 2.024 -7.600 -6.832) 10.418 12.961 ( -0.114 4.439 6.246) 7.664 13.068 ( 0.942 -5.273 3.675) 6.496 13.537 ( 0.802 9.953 -8.018) 12.806 13.775 ( -0.061 -12.315 -9.353) 15.464 14.424 ( 0.118 5.988 10.783) 12.335 14.509 ( 0.823 -1.880 11.815) 11.992 15.733 ( -0.810 11.794 -1.829) 11.962 15.958 ( -1.849 -9.241 -2.269) 9.694 ======================= Grid point 91 (41/104) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -11.391 0.000 21.027) 23.914 0.975 ( -3.769 0.000 23.447) 23.748 1.609 ( -2.925 0.000 33.887) 34.013 1.862 ( 6.346 0.000 -3.402) 7.200 1.955 ( -3.312 0.000 1.558) 3.660 2.353 ( -2.245 0.000 -1.817) 2.888 2.427 ( 5.701 0.000 0.918) 5.775 2.647 ( 0.225 0.000 7.181) 7.184 2.756 ( 6.968 0.000 -1.616) 7.153 2.867 ( -1.436 0.000 -2.559) 2.934 2.897 ( 9.120 0.000 3.338) 9.712 3.063 ( -6.180 0.000 -1.773) 6.430 3.208 ( 0.519 0.000 -2.710) 2.759 3.374 ( 1.324 0.000 -7.795) 7.907 3.460 ( -2.602 0.000 4.201) 4.941 3.556 ( -12.883 0.000 -4.019) 13.495 3.736 ( -6.713 0.000 -0.179) 6.715 3.759 ( 11.345 0.000 2.856) 11.699 4.160 ( -0.583 0.000 -1.785) 1.878 4.314 ( 1.101 0.000 -11.436) 11.489 4.369 ( 0.327 0.000 -2.954) 2.972 4.593 ( 3.628 0.000 -5.936) 6.957 5.276 ( -4.689 0.000 6.384) 7.921 5.367 ( 8.146 0.000 0.071) 8.146 5.415 ( -3.341 0.000 -0.430) 3.368 5.505 ( 17.402 0.000 4.237) 17.911 5.802 ( -0.598 0.000 -1.627) 1.733 6.136 ( 3.389 0.000 -7.012) 7.788 6.169 ( -1.363 0.000 5.834) 5.991 6.247 ( -12.709 0.000 8.040) 15.038 6.446 ( 6.867 0.000 1.966) 7.143 6.636 ( 2.361 0.000 -5.406) 5.899 6.691 ( -10.532 0.000 3.336) 11.047 6.835 ( 0.954 0.000 0.395) 1.033 7.153 ( -6.161 0.000 -0.443) 6.176 7.198 ( 8.254 0.000 4.097) 9.215 7.236 ( -1.489 0.000 -2.877) 3.240 7.265 ( -1.913 0.000 -2.447) 3.106 7.415 ( -0.200 0.000 7.197) 7.199 8.012 ( 0.160 0.000 -0.601) 0.622 8.234 ( -2.643 0.000 1.413) 2.997 8.410 ( 5.946 0.000 -6.150) 8.554 8.475 ( 0.548 0.000 -5.577) 5.604 8.478 ( 0.799 0.000 -2.048) 2.198 8.908 ( -16.586 0.000 5.158) 17.369 8.934 ( 0.499 0.000 4.565) 4.592 9.237 ( 4.582 0.000 -2.877) 5.410 9.421 ( -3.992 0.000 -4.344) 5.900 12.049 ( -1.214 0.000 3.969) 4.150 12.144 ( -0.002 0.000 1.584) 1.584 12.180 ( -0.379 0.000 0.753) 0.843 12.600 ( -7.630 0.000 -10.077) 12.639 13.006 ( 2.977 0.000 -1.938) 3.553 13.324 ( -17.972 0.000 -0.850) 17.992 13.466 ( -2.726 0.000 6.788) 7.315 13.687 ( 17.566 0.000 -4.429) 18.115 14.417 ( -0.150 0.000 1.585) 1.592 14.653 ( 7.699 0.000 -4.579) 8.958 15.214 ( 1.576 0.000 14.463) 14.548 16.095 ( 0.462 0.000 -6.467) 6.483 ======================= Grid point 92 (42/104) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 2.291 0.000 16.196) 16.357 1.103 ( 7.867 0.000 19.071) 20.630 1.808 ( 7.225 0.000 24.791) 25.822 1.904 ( -1.160 0.000 5.070) 5.201 1.947 ( 1.276 0.000 -1.595) 2.042 2.367 ( 5.558 0.000 -4.049) 6.876 2.436 ( -5.201 0.000 9.953) 11.230 2.726 ( -14.184 0.000 2.545) 14.411 2.733 ( 1.495 0.000 -2.169) 2.635 2.804 ( 1.567 0.000 -0.744) 1.735 3.000 ( 5.420 0.000 0.023) 5.420 3.026 ( 1.622 0.000 0.404) 1.672 3.227 ( 0.448 0.000 -1.879) 1.932 3.263 ( -13.027 0.000 -2.935) 13.353 3.410 ( 3.853 0.000 -6.415) 7.483 3.483 ( 5.474 0.000 -3.779) 6.652 3.624 ( -4.761 0.000 5.976) 7.641 3.941 ( 1.372 0.000 4.322) 4.535 4.180 ( 5.807 0.000 -3.504) 6.782 4.285 ( 0.433 0.000 -10.041) 10.050 4.316 ( -3.654 0.000 -5.025) 6.213 4.640 ( 2.551 0.000 -6.656) 7.128 5.168 ( -7.618 0.000 7.649) 10.795 5.252 ( -7.509 0.000 1.274) 7.617 5.309 ( -5.080 0.000 -2.972) 5.885 5.780 ( -1.141 0.000 -1.089) 1.577 5.828 ( -5.162 0.000 8.831) 10.229 6.194 ( 1.347 0.000 4.567) 4.762 6.209 ( 5.393 0.000 -6.237) 8.245 6.340 ( 25.243 0.000 -8.481) 26.630 6.548 ( -5.064 0.000 3.653) 6.244 6.579 ( 3.713 0.000 1.258) 3.921 6.657 ( 1.679 0.000 -3.286) 3.690 6.843 ( -0.967 0.000 3.469) 3.601 7.042 ( -4.522 0.000 3.190) 5.534 7.055 ( -8.335 0.000 -2.488) 8.699 7.374 ( 7.468 0.000 -4.245) 8.590 7.384 ( 4.560 0.000 7.096) 8.435 7.525 ( 11.615 0.000 -0.487) 11.625 8.030 ( 1.797 0.000 -1.306) 2.222 8.169 ( -3.224 0.000 0.493) 3.261 8.298 ( -16.416 0.000 4.738) 17.086 8.456 ( -0.297 0.000 -6.145) 6.152 8.508 ( 0.305 0.000 -2.680) 2.697 8.574 ( -7.287 0.000 3.677) 8.162 9.049 ( 3.971 0.000 6.547) 7.657 9.256 ( -2.942 0.000 -5.721) 6.433 9.396 ( 4.277 0.000 -1.494) 4.531 12.038 ( -1.119 0.000 4.333) 4.475 12.142 ( -0.738 0.000 1.655) 1.812 12.186 ( 0.626 0.000 0.808) 1.022 12.462 ( -2.423 0.000 -1.833) 3.038 13.040 ( 0.409 0.000 -0.819) 0.915 13.087 ( -6.172 0.000 -2.175) 6.544 13.445 ( -1.158 0.000 5.523) 5.644 13.944 ( 9.306 0.000 -2.267) 9.578 14.435 ( 1.105 0.000 1.722) 2.046 14.698 ( -0.039 0.000 -10.162) 10.162 15.307 ( 1.203 0.000 11.376) 11.439 16.084 ( 0.853 0.000 -6.699) 6.753 ======================= Grid point 93 (43/104) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 15.305 0.000 8.179) 17.354 1.387 ( 12.720 0.000 12.291) 17.688 1.779 ( -6.227 0.000 -0.948) 6.299 1.926 ( -2.063 0.000 -0.028) 2.064 2.087 ( 1.807 0.000 15.894) 15.996 2.390 ( -17.014 0.000 2.690) 17.225 2.416 ( 2.226 0.000 18.450) 18.584 2.470 ( 3.493 0.000 -8.010) 8.739 2.658 ( -1.535 0.000 -5.752) 5.953 2.945 ( 4.753 0.000 2.556) 5.397 2.980 ( -2.879 0.000 -4.555) 5.389 3.013 ( -8.434 0.000 -0.241) 8.438 3.043 ( -1.695 0.000 -0.920) 1.928 3.306 ( 5.566 0.000 7.963) 9.716 3.454 ( 0.455 0.000 -1.752) 1.810 3.562 ( -3.469 0.000 7.035) 7.844 3.641 ( 10.185 0.000 -6.334) 11.994 3.874 ( -5.202 0.000 1.904) 5.539 4.203 ( -4.294 0.000 -5.160) 6.713 4.260 ( -0.241 0.000 -7.911) 7.915 4.339 ( 7.823 0.000 -6.696) 10.297 4.647 ( 0.969 0.000 -7.976) 8.034 5.037 ( -7.639 0.000 9.776) 12.407 5.135 ( -4.035 0.000 1.886) 4.454 5.223 ( -1.221 0.000 -4.971) 5.119 5.718 ( -6.721 0.000 11.851) 13.624 5.755 ( -0.927 0.000 0.641) 1.127 6.249 ( 1.683 0.000 5.139) 5.408 6.290 ( 4.012 0.000 -6.192) 7.378 6.470 ( -2.696 0.000 3.182) 4.171 6.561 ( -3.372 0.000 -4.244) 5.421 6.678 ( -2.308 0.000 4.250) 4.836 6.798 ( 19.438 0.000 -12.223) 22.962 6.843 ( 0.290 0.000 3.601) 3.613 6.906 ( -4.057 0.000 -2.801) 4.930 6.983 ( -2.666 0.000 4.428) 5.169 7.484 ( 3.739 0.000 6.614) 7.598 7.521 ( 7.525 0.000 -4.076) 8.558 7.805 ( 13.488 0.000 -3.574) 13.953 7.962 ( -15.437 0.000 6.317) 16.680 8.063 ( 1.191 0.000 -0.859) 1.468 8.128 ( -0.203 0.000 -1.368) 1.383 8.383 ( -8.226 0.000 -1.838) 8.429 8.423 ( -0.514 0.000 -5.830) 5.853 8.573 ( 1.555 0.000 -0.329) 1.590 9.147 ( 3.143 0.000 7.294) 7.943 9.171 ( -1.682 0.000 -8.423) 8.590 9.492 ( 4.139 0.000 0.254) 4.147 12.036 ( -0.778 0.000 4.982) 5.043 12.129 ( -1.035 0.000 2.008) 2.259 12.205 ( 0.770 0.000 0.778) 1.095 12.476 ( 3.365 0.000 0.231) 3.373 12.997 ( -1.776 0.000 -5.660) 5.933 13.017 ( -1.803 0.000 -2.132) 2.792 13.458 ( 0.078 0.000 6.404) 6.404 14.093 ( 5.700 0.000 2.047) 6.056 14.465 ( 1.027 0.000 1.372) 1.713 14.617 ( -3.320 0.000 -12.710) 13.137 15.328 ( -2.881 0.000 11.798) 12.145 16.084 ( 1.482 0.000 -6.449) 6.617 ======================= Grid point 94 (44/104) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 5.773 0.000 4.637) 7.404 1.604 ( -1.528 0.000 7.241) 7.400 1.659 ( -0.658 0.000 7.483) 7.511 1.887 ( -0.010 0.000 5.764) 5.764 2.037 ( -5.370 0.000 -0.598) 5.403 2.133 ( -5.324 0.000 -1.107) 5.438 2.415 ( -3.038 0.000 -11.398) 11.796 2.538 ( -3.640 0.000 20.626) 20.945 2.670 ( 2.017 0.000 -5.953) 6.286 2.905 ( 3.406 0.000 9.004) 9.626 2.944 ( -0.447 0.000 -2.770) 2.805 2.988 ( -2.195 0.000 -0.850) 2.354 3.016 ( -3.729 0.000 0.293) 3.740 3.406 ( -0.631 0.000 8.295) 8.319 3.413 ( -1.788 0.000 4.034) 4.412 3.529 ( -0.815 0.000 7.612) 7.656 3.848 ( 3.017 0.000 -3.014) 4.264 3.853 ( 11.929 0.000 -7.532) 14.107 4.129 ( -0.726 0.000 -3.838) 3.906 4.196 ( -3.387 0.000 -6.522) 7.349 4.389 ( -0.714 0.000 -9.109) 9.137 4.638 ( 1.070 0.000 -8.762) 8.827 4.929 ( -5.826 0.000 6.023) 8.380 5.116 ( 0.919 0.000 7.966) 8.019 5.230 ( 3.427 0.000 -5.149) 6.186 5.644 ( -4.366 0.000 9.621) 10.566 5.756 ( 0.690 0.000 2.486) 2.580 6.277 ( -1.180 0.000 5.521) 5.646 6.305 ( -0.957 0.000 -5.778) 5.857 6.449 ( -5.514 0.000 -3.717) 6.650 6.454 ( -0.083 0.000 3.679) 3.680 6.616 ( -2.868 0.000 1.504) 3.238 6.803 ( -2.189 0.000 -0.421) 2.229 6.941 ( 4.500 0.000 0.420) 4.520 6.957 ( -1.562 0.000 4.617) 4.874 7.078 ( 11.405 0.000 -6.473) 13.114 7.540 ( -4.492 0.000 4.477) 6.342 7.620 ( 2.509 0.000 -3.381) 4.210 7.727 ( -5.277 0.000 7.027) 8.788 8.035 ( 6.781 0.000 -5.474) 8.715 8.060 ( -0.903 0.000 0.387) 0.982 8.154 ( 2.702 0.000 -2.027) 3.378 8.211 ( -3.643 0.000 -5.848) 6.890 8.408 ( 1.270 0.000 -5.401) 5.548 8.610 ( 2.183 0.000 0.233) 2.195 9.137 ( 1.218 0.000 -8.888) 8.971 9.232 ( 2.431 0.000 7.067) 7.474 9.553 ( 1.609 0.000 0.108) 1.613 12.041 ( -0.574 0.000 5.355) 5.385 12.118 ( -0.642 0.000 2.174) 2.267 12.218 ( 0.096 0.000 0.707) 0.714 12.586 ( 6.877 0.000 0.948) 6.942 12.959 ( 0.253 0.000 -6.947) 6.951 12.968 ( -1.437 0.000 -4.064) 4.311 13.484 ( -0.210 0.000 8.063) 8.066 14.207 ( 4.164 0.000 5.035) 6.534 14.476 ( -5.500 0.000 -15.961) 16.882 14.478 ( -0.333 0.000 0.893) 0.954 15.288 ( -4.907 0.000 12.807) 13.715 16.096 ( 1.716 0.000 -5.973) 6.215 ======================= Grid point 95 (45/104) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -13.674 0.000 13.825) 19.445 1.375 ( -17.594 0.000 12.766) 21.737 1.831 ( 0.971 0.000 2.682) 2.853 1.879 ( -4.249 0.000 -4.056) 5.874 1.984 ( 7.381 0.000 0.944) 7.441 2.203 ( 9.171 0.000 -1.453) 9.285 2.366 ( -18.285 0.000 23.573) 29.833 2.407 ( 6.680 0.000 -2.965) 7.308 2.735 ( 6.034 0.000 -4.284) 7.400 2.798 ( -10.040 0.000 -0.440) 10.049 2.864 ( -5.605 0.000 -3.722) 6.728 2.986 ( 1.540 0.000 0.216) 1.555 3.159 ( 11.859 0.000 6.349) 13.451 3.375 ( -2.867 0.000 3.220) 4.311 3.443 ( 1.332 0.000 3.057) 3.335 3.552 ( -1.322 0.000 7.750) 7.862 3.927 ( 4.159 0.000 -4.189) 5.903 4.001 ( -0.367 0.000 -5.606) 5.618 4.134 ( 1.061 0.000 -5.025) 5.136 4.143 ( 5.447 0.000 -6.635) 8.585 4.296 ( -2.923 0.000 -2.705) 3.983 4.615 ( -0.284 0.000 -9.500) 9.505 4.845 ( -3.124 0.000 4.231) 5.259 5.209 ( 3.793 0.000 9.484) 10.214 5.315 ( 5.766 0.000 -3.028) 6.513 5.594 ( -3.663 0.000 6.767) 7.694 5.796 ( 1.618 0.000 3.222) 3.606 6.221 ( -4.203 0.000 -5.554) 6.965 6.247 ( -3.235 0.000 5.514) 6.393 6.340 ( -2.862 0.000 -3.803) 4.760 6.472 ( -0.486 0.000 5.502) 5.524 6.593 ( 0.327 0.000 -1.677) 1.708 6.785 ( 0.710 0.000 -1.769) 1.906 6.953 ( -0.148 0.000 3.810) 3.813 7.041 ( 4.962 0.000 -0.217) 4.966 7.225 ( 3.106 0.000 -2.797) 4.180 7.343 ( -10.748 0.000 0.344) 10.753 7.587 ( -4.375 0.000 -2.575) 5.077 7.657 ( -9.325 0.000 6.762) 11.519 8.043 ( -0.900 0.000 0.469) 1.015 8.076 ( 5.860 0.000 -1.883) 6.155 8.208 ( 2.809 0.000 -0.854) 2.936 8.293 ( 8.935 0.000 -9.555) 13.081 8.435 ( 2.750 0.000 -4.850) 5.576 8.674 ( 3.828 0.000 1.829) 4.242 9.144 ( 2.094 0.000 -7.700) 7.979 9.286 ( 0.213 0.000 4.793) 4.798 9.559 ( -0.915 0.000 -0.880) 1.269 12.050 ( -0.452 0.000 5.175) 5.195 12.120 ( 0.042 0.000 1.970) 1.971 12.213 ( -0.805 0.000 0.693) 1.062 12.746 ( 7.282 0.000 -4.978) 8.821 12.939 ( 0.414 0.000 -4.890) 4.908 12.981 ( 5.474 0.000 -1.008) 5.566 13.501 ( -1.249 0.000 9.018) 9.104 14.232 ( -9.619 0.000 -20.166) 22.343 14.328 ( 2.582 0.000 7.612) 8.038 14.460 ( -1.519 0.000 0.723) 1.683 15.229 ( -5.170 0.000 13.412) 14.374 16.107 ( 1.313 0.000 -5.750) 5.898 ======================= Grid point 96 (46/104) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -12.189 0.000 20.754) 24.069 1.091 ( -14.228 0.000 19.981) 24.529 1.706 ( -11.743 0.000 16.086) 19.916 1.797 ( 0.309 0.000 -6.174) 6.182 2.074 ( -12.631 0.000 13.538) 18.515 2.239 ( 11.290 0.000 1.382) 11.374 2.354 ( 4.515 0.000 -0.556) 4.549 2.617 ( 10.771 0.000 -0.319) 10.776 2.662 ( -3.731 0.000 3.595) 5.181 2.748 ( -1.382 0.000 -2.169) 2.572 2.842 ( 4.403 0.000 -2.297) 4.966 3.044 ( 3.947 0.000 -1.164) 4.115 3.306 ( -5.103 0.000 0.282) 5.111 3.375 ( 3.747 0.000 -1.754) 4.137 3.498 ( 7.626 0.000 2.889) 8.155 3.517 ( -4.064 0.000 6.569) 7.725 3.847 ( -10.010 0.000 -6.426) 11.895 3.883 ( -6.595 0.000 -2.743) 7.142 4.155 ( 2.826 0.000 -3.825) 4.755 4.277 ( 6.750 0.000 -9.334) 11.519 4.325 ( 3.536 0.000 1.055) 3.690 4.573 ( 0.255 0.000 -8.235) 8.239 4.921 ( 11.454 0.000 9.467) 14.860 5.295 ( 0.698 0.000 7.495) 7.527 5.415 ( 3.417 0.000 -0.467) 3.448 5.534 ( -4.259 0.000 4.421) 6.139 5.819 ( -0.469 0.000 1.086) 1.183 6.136 ( -0.976 0.000 -7.363) 7.427 6.197 ( -3.142 0.000 5.447) 6.288 6.331 ( 3.181 0.000 -1.224) 3.409 6.437 ( -6.053 0.000 6.654) 8.995 6.607 ( 1.819 0.000 -3.580) 4.015 6.808 ( 1.794 0.000 -1.923) 2.630 6.939 ( -8.136 0.000 0.593) 8.157 7.080 ( -3.004 0.000 0.473) 3.041 7.144 ( 5.232 0.000 -1.544) 5.455 7.282 ( -2.273 0.000 -2.728) 3.551 7.443 ( -8.146 0.000 -2.080) 8.407 7.462 ( -8.777 0.000 9.234) 12.740 8.024 ( -0.966 0.000 0.012) 0.966 8.249 ( 0.810 0.000 0.618) 1.018 8.252 ( 9.947 0.000 -3.596) 10.577 8.424 ( 5.928 0.000 -6.586) 8.860 8.469 ( 1.904 0.000 -4.633) 5.009 8.786 ( 5.909 0.000 4.081) 7.181 9.170 ( 3.060 0.000 -5.530) 6.320 9.231 ( -8.146 0.000 0.594) 8.167 9.511 ( -3.078 0.000 -2.469) 3.946 12.055 ( -0.789 0.000 4.414) 4.484 12.132 ( 0.429 0.000 1.763) 1.814 12.194 ( -1.085 0.000 0.708) 1.295 12.757 ( -1.928 0.000 -14.428) 14.556 12.954 ( 2.554 0.000 -4.000) 4.746 13.268 ( 19.646 0.000 4.167) 20.083 13.495 ( -2.473 0.000 8.543) 8.894 13.819 ( -22.263 0.000 -16.493) 27.706 14.430 ( -1.413 0.000 1.062) 1.768 14.467 ( 7.672 0.000 6.134) 9.823 15.185 ( -3.448 0.000 14.286) 14.696 16.106 ( 0.689 0.000 -5.993) 6.032 ======================= Grid point 97 (47/104) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -1.999 4.113 21.353) 21.838 1.032 ( -7.504 13.688 17.532) 23.474 1.901 ( 5.159 4.510 -1.205) 6.957 1.913 ( -0.127 19.115 14.780) 24.163 2.080 ( -5.560 12.488 8.997) 16.365 2.355 ( -2.788 0.539 -1.633) 3.276 2.417 ( 4.151 -0.283 0.639) 4.209 2.590 ( 3.087 -5.552 4.945) 8.051 2.726 ( 5.731 -2.509 0.681) 6.293 2.825 ( 2.318 -3.018 -2.676) 4.652 2.890 ( 7.109 -0.439 3.942) 8.141 2.976 ( -8.448 -6.592 -0.028) 10.716 3.173 ( 1.387 -2.839 -2.567) 4.071 3.401 ( -3.808 0.989 -9.094) 9.909 3.412 ( -5.828 -4.587 2.420) 7.802 3.594 ( -5.681 3.626 -4.512) 8.110 3.603 ( 0.795 -5.750 -1.635) 6.031 3.906 ( 4.548 5.461 2.471) 7.524 4.118 ( 0.096 -1.271 1.292) 1.815 4.293 ( 2.646 -2.381 -5.348) 6.424 4.343 ( -0.398 -0.908 -4.426) 4.536 4.716 ( 1.078 7.522 -7.741) 10.847 5.177 ( 11.496 -11.824 5.956) 17.534 5.237 ( -1.519 -3.964 9.527) 10.430 5.375 ( -1.231 -5.912 3.937) 7.209 5.452 ( -4.297 1.015 -0.738) 4.477 5.752 ( 1.227 -4.573 -0.730) 4.791 6.087 ( -0.292 -3.359 -3.608) 4.939 6.171 ( -2.350 -1.348 4.248) 5.039 6.226 ( -3.261 0.012 4.567) 5.612 6.514 ( 8.045 2.993 -1.427) 8.702 6.604 ( 0.707 1.095 -1.190) 1.765 6.766 ( -0.566 0.781 0.550) 1.110 6.934 ( -1.494 -2.113 -2.811) 3.820 7.054 ( -6.410 -1.329 -0.490) 6.565 7.209 ( 6.623 0.036 0.573) 6.648 7.239 ( -1.763 2.170 1.438) 3.144 7.368 ( -5.491 10.865 2.199) 12.371 7.568 ( 2.448 10.381 -0.323) 10.670 8.008 ( 0.183 -0.386 0.066) 0.432 8.214 ( -3.085 -1.064 0.737) 3.346 8.381 ( 5.084 -1.447 -7.020) 8.787 8.467 ( 3.143 -0.093 -3.375) 4.612 8.529 ( -0.090 0.727 -2.880) 2.972 8.815 ( -11.806 -4.476 5.834) 13.908 8.886 ( 2.015 -3.065 6.042) 7.068 9.320 ( -0.146 4.011 -5.981) 7.203 9.448 ( -2.265 2.071 -4.864) 5.752 12.062 ( -0.560 1.000 1.306) 1.738 12.152 ( 0.338 0.797 1.174) 1.459 12.171 ( -0.440 -0.803 0.820) 1.229 12.548 ( -5.161 -4.295 -9.459) 11.600 13.018 ( -2.154 0.237 1.333) 2.544 13.176 ( -4.013 -4.000 1.812) 5.949 13.584 ( 8.549 -1.821 4.396) 9.784 13.685 ( 0.417 2.707 -11.234) 11.563 14.361 ( -1.397 -0.232 7.897) 8.023 14.726 ( 2.721 3.519 -0.996) 4.559 15.314 ( 2.437 8.147 8.881) 12.296 16.077 ( -0.028 -1.901 -6.175) 6.461 ======================= Grid point 98 (48/104) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.142 14.333 13.193) 19.481 1.123 ( 8.277 4.023 18.576) 20.731 1.950 ( -2.819 4.530 -2.585) 5.928 2.000 ( 1.726 8.098 -0.650) 8.306 2.095 ( 5.516 17.172 21.667) 28.192 2.353 ( 3.321 -0.193 -0.735) 3.407 2.428 ( -3.613 0.153 7.789) 8.587 2.659 ( -6.823 -4.564 -0.357) 8.217 2.736 ( -0.511 -1.758 1.641) 2.458 2.816 ( 0.126 1.230 -3.712) 3.912 2.885 ( 3.140 -7.204 1.231) 7.954 3.031 ( 2.559 0.190 1.384) 2.916 3.183 ( -1.559 -2.886 -1.379) 3.558 3.274 ( -3.191 -2.843 -3.104) 5.282 3.336 ( -0.293 -4.379 -5.454) 7.000 3.516 ( -1.479 -1.021 3.250) 3.714 3.571 ( -0.080 0.540 -3.559) 3.600 4.058 ( -0.454 7.436 6.261) 9.732 4.128 ( 7.067 -3.213 -4.212) 8.832 4.292 ( -1.374 -1.536 -4.202) 4.680 4.308 ( -0.297 0.578 -6.897) 6.928 4.688 ( -0.976 2.884 -7.102) 7.728 5.134 ( -5.935 -1.097 8.037) 10.051 5.231 ( -5.949 -2.177 1.891) 6.611 5.335 ( -4.124 0.273 -2.905) 5.052 5.498 ( 2.029 -15.002 8.694) 17.458 5.816 ( 2.135 -5.038 0.281) 5.479 6.082 ( 1.320 -5.791 -1.345) 6.090 6.211 ( 8.630 -4.235 3.163) 10.120 6.271 ( 4.383 0.924 -1.853) 4.847 6.573 ( -2.359 0.939 -1.370) 2.885 6.654 ( 2.711 4.633 -0.696) 5.413 6.742 ( -1.187 1.329 2.361) 2.958 6.891 ( -2.431 -5.690 -2.499) 6.673 6.939 ( -2.523 2.330 -1.081) 3.600 7.199 ( -4.585 6.047 7.040) 10.351 7.311 ( 4.039 3.504 -0.333) 5.357 7.425 ( 9.491 0.462 -2.701) 9.879 7.653 ( 6.211 8.651 -1.488) 10.754 8.017 ( 0.076 -1.660 0.283) 1.685 8.109 ( -5.985 -1.926 0.282) 6.294 8.396 ( -2.123 0.909 -6.127) 6.548 8.480 ( -5.964 5.036 1.318) 7.916 8.515 ( -0.624 1.088 -4.760) 4.923 8.562 ( -4.497 -0.030 5.137) 6.827 8.996 ( 4.148 -4.034 6.670) 8.830 9.277 ( -2.596 1.754 -5.907) 6.686 9.434 ( 2.911 2.349 -3.245) 4.953 12.053 ( -0.715 1.056 1.733) 2.151 12.152 ( -0.548 1.071 0.975) 1.548 12.179 ( 0.667 -0.635 0.987) 1.349 12.445 ( -1.601 -1.656 -3.106) 3.867 12.947 ( -3.790 -3.396 1.247) 5.239 13.152 ( 0.125 2.281 -1.489) 2.727 13.534 ( -3.469 5.545 -1.632) 6.741 13.899 ( 11.402 -4.830 -1.610) 12.487 14.364 ( -0.640 -3.227 4.974) 5.963 14.718 ( -2.362 1.387 -2.568) 3.755 15.390 ( 0.976 6.955 7.665) 10.396 16.067 ( 1.308 -1.703 -6.479) 6.825 ======================= Grid point 99 (49/104) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 10.518 7.483 8.243) 15.316 1.399 ( 11.283 2.341 12.304) 16.858 1.836 ( -6.065 2.970 -1.105) 6.843 1.979 ( -3.293 7.129 1.711) 8.037 2.229 ( -6.688 4.220 8.860) 11.876 2.304 ( -7.319 1.544 6.616) 9.986 2.430 ( 2.440 -3.008 -6.418) 7.496 2.556 ( 4.140 9.402 10.751) 14.870 2.711 ( -2.476 3.879 -7.618) 8.900 2.863 ( -4.082 -6.232 -1.392) 7.578 2.909 ( 4.980 -3.132 3.515) 6.853 2.999 ( -0.429 -3.422 -2.966) 4.549 3.135 ( -4.623 6.270 0.673) 7.819 3.289 ( 5.152 -0.060 4.034) 6.543 3.409 ( 6.616 -6.201 -0.092) 9.068 3.479 ( -4.323 -5.461 7.451) 10.199 3.632 ( 5.433 1.284 -5.312) 7.706 3.961 ( -6.618 4.767 2.743) 8.605 4.205 ( -2.100 0.570 -3.788) 4.369 4.273 ( -1.370 0.349 -6.678) 6.826 4.313 ( 6.432 -2.439 -5.909) 9.068 4.650 ( 0.476 0.736 -6.118) 6.181 5.055 ( -5.331 1.932 8.568) 10.274 5.119 ( -4.531 -1.707 2.391) 5.400 5.244 ( -2.439 1.027 -4.702) 5.395 5.528 ( -0.735 -10.492 8.544) 13.551 5.798 ( -2.717 -1.328 2.552) 3.957 6.136 ( 3.263 -7.076 -0.254) 7.797 6.334 ( 2.904 1.099 -1.749) 3.564 6.447 ( 7.743 -8.170 0.722) 11.279 6.509 ( -2.969 1.396 -0.288) 3.293 6.648 ( -0.645 2.660 -1.246) 3.007 6.697 ( -4.065 -4.096 2.397) 6.249 6.815 ( -2.509 -4.070 -0.553) 4.813 6.972 ( 3.664 1.547 -0.884) 4.074 7.136 ( -2.800 7.908 4.591) 9.563 7.434 ( 7.435 2.123 -0.763) 7.769 7.576 ( 4.691 -0.425 -0.877) 4.792 7.810 ( 7.729 1.129 -0.937) 7.867 7.929 ( -6.476 -2.447 -0.481) 6.940 8.064 ( 1.037 -0.030 -1.718) 2.007 8.264 ( -5.117 10.165 -1.381) 11.463 8.349 ( -6.868 -1.236 -0.965) 7.045 8.484 ( 0.223 4.014 -4.649) 6.146 8.589 ( 2.020 1.447 0.018) 2.485 9.094 ( 2.615 -4.080 7.091) 8.588 9.209 ( -0.530 2.912 -7.924) 8.458 9.503 ( 3.565 0.504 -0.998) 3.737 12.048 ( -0.514 0.936 2.564) 2.777 12.139 ( -1.059 1.130 1.722) 2.316 12.199 ( 0.811 -0.581 0.933) 1.365 12.459 ( 3.194 -1.904 -1.437) 3.986 12.891 ( -1.520 -2.967 -1.756) 3.768 13.137 ( -0.897 4.013 -3.349) 5.303 13.474 ( -2.279 1.491 1.101) 2.937 14.097 ( 7.911 -0.877 1.845) 8.170 14.363 ( -0.603 -7.154 -0.515) 7.197 14.636 ( -4.209 1.831 -1.369) 4.789 15.400 ( -2.656 6.477 8.921) 11.340 16.081 ( 2.184 -0.690 -6.736) 7.115 ======================= Grid point 100 (50/104) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.246 2.495 5.162) 8.479 1.517 ( -5.670 -2.710 7.526) 9.805 1.814 ( 4.846 5.492 3.675) 8.194 1.867 ( -6.856 5.369 10.013) 13.270 2.083 ( -2.074 -0.935 -1.178) 2.562 2.192 ( -5.247 7.181 -0.416) 8.903 2.410 ( -1.886 -0.039 -9.392) 9.579 2.616 ( -2.896 2.806 6.380) 7.547 2.679 ( 0.001 0.718 -4.760) 4.814 2.846 ( 2.549 -3.524 2.469) 5.001 2.924 ( -2.187 -0.182 3.203) 3.883 3.037 ( 0.193 2.355 2.780) 3.649 3.098 ( 0.029 7.745 3.183) 8.373 3.382 ( -3.919 -3.402 7.929) 9.476 3.395 ( 1.495 0.885 1.216) 2.121 3.554 ( 4.208 -0.829 4.789) 6.428 3.701 ( 4.148 -2.140 -0.899) 4.753 3.900 ( 1.457 -2.849 -5.025) 5.957 4.172 ( -1.162 1.617 -2.521) 3.212 4.199 ( -1.083 0.990 -6.031) 6.207 4.357 ( -0.239 -2.865 -6.908) 7.482 4.671 ( 2.982 3.206 -6.810) 8.096 4.948 ( -6.256 1.672 2.869) 7.083 5.087 ( -0.897 -2.745 9.200) 9.642 5.232 ( 2.758 -0.055 -3.713) 4.625 5.547 ( -0.394 -6.822 7.284) 9.988 5.764 ( -0.909 -0.411 2.493) 2.686 6.182 ( 0.477 -6.348 0.016) 6.366 6.343 ( -2.099 1.002 0.039) 2.326 6.433 ( -4.120 -1.144 -3.605) 5.593 6.494 ( -0.392 2.808 3.412) 4.436 6.575 ( -3.791 -3.422 0.831) 5.174 6.731 ( 1.305 -5.445 2.188) 6.012 6.809 ( 3.573 -4.533 -1.735) 6.027 7.013 ( -0.822 2.244 4.271) 4.895 7.160 ( 4.715 2.300 -0.897) 5.322 7.550 ( 0.326 1.485 -1.662) 2.252 7.624 ( 1.269 0.375 0.933) 1.619 7.762 ( -3.400 1.040 3.831) 5.226 8.006 ( 7.105 -1.533 -6.334) 9.641 8.091 ( 1.431 1.425 -0.142) 2.024 8.105 ( -9.601 0.344 -0.175) 9.609 8.283 ( 2.619 4.127 -6.967) 8.511 8.481 ( 1.027 5.813 -3.938) 7.097 8.631 ( 2.108 1.799 0.303) 2.788 9.128 ( -0.347 -2.446 -0.126) 2.474 9.232 ( 3.899 1.668 -1.179) 4.401 9.555 ( 1.571 -0.150 -0.958) 1.846 12.050 ( -0.240 0.816 2.962) 3.081 12.126 ( -0.805 0.844 2.179) 2.471 12.213 ( 0.110 -0.439 0.829) 0.945 12.550 ( 5.885 -3.698 -1.960) 7.221 12.874 ( 0.731 -1.542 -2.075) 2.687 13.097 ( -1.057 5.388 -5.940) 8.089 13.442 ( -2.057 -3.195 4.597) 5.964 14.242 ( 4.899 2.136 4.244) 6.825 14.312 ( -3.084 -10.091 -9.244) 14.028 14.562 ( -2.760 4.086 3.263) 5.913 15.358 ( -4.400 6.564 9.956) 12.711 16.102 ( 2.027 -0.071 -6.537) 6.844 ======================= Grid point 101 (51/104) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -14.203 0.657 10.966) 17.956 1.381 ( -13.141 4.610 13.660) 19.507 1.869 ( -1.273 2.399 -4.107) 4.923 1.956 ( 9.637 4.371 5.936) 12.133 2.066 ( -1.574 7.789 -4.878) 9.324 2.178 ( 5.491 -0.250 2.312) 5.963 2.399 ( 3.670 -0.220 0.316) 3.690 2.533 ( -8.015 9.746 12.274) 17.603 2.697 ( 2.989 -2.615 -4.061) 5.680 2.788 ( -5.365 -6.077 -1.965) 8.341 2.835 ( -11.286 5.303 4.704) 13.327 3.010 ( 1.737 -0.103 -2.003) 2.653 3.182 ( 5.628 2.173 5.140) 7.926 3.349 ( -1.263 -1.988 4.368) 4.962 3.453 ( 3.282 2.366 -0.835) 4.131 3.601 ( -1.818 2.863 6.093) 6.973 3.819 ( 5.282 -6.337 -3.821) 9.092 3.921 ( 1.244 -5.446 -2.787) 6.243 4.099 ( -1.268 -2.804 -5.130) 5.983 4.222 ( -0.001 2.597 -6.003) 6.541 4.306 ( 0.439 1.121 -1.372) 1.825 4.696 ( 2.073 6.385 -8.245) 10.632 4.851 ( -3.251 0.811 3.260) 4.675 5.141 ( 2.470 -5.525 9.394) 11.175 5.307 ( 4.407 -1.058 -0.278) 4.541 5.553 ( -1.263 -3.423 5.009) 6.197 5.778 ( 0.692 -1.351 2.133) 2.618 6.146 ( -2.696 -5.450 -2.471) 6.563 6.269 ( -4.717 0.399 2.764) 5.481 6.342 ( -2.251 0.370 -3.673) 4.323 6.502 ( -2.086 0.972 4.540) 5.090 6.539 ( 0.822 -2.193 -0.714) 2.448 6.737 ( 0.054 -3.132 0.641) 3.197 6.885 ( 2.780 -5.793 -0.490) 6.444 7.022 ( 1.253 1.062 3.341) 3.723 7.258 ( 3.409 -1.576 -0.496) 3.788 7.435 ( -7.850 4.724 -1.527) 9.288 7.597 ( -2.826 3.077 -0.031) 4.178 7.758 ( -9.029 8.604 4.938) 13.414 7.924 ( 2.556 -4.643 -1.558) 5.524 8.119 ( 3.910 -2.000 -3.113) 5.384 8.170 ( 5.354 0.066 -3.075) 6.175 8.337 ( 4.490 2.028 -7.307) 8.813 8.504 ( 2.294 5.530 -3.011) 6.702 8.682 ( 2.629 0.634 1.269) 2.987 9.101 ( -2.211 -4.084 -0.286) 4.653 9.314 ( 3.855 2.581 -1.769) 4.965 9.557 ( -0.851 -0.296 -1.787) 2.001 12.058 ( -0.044 0.779 2.683) 2.794 12.124 ( -0.095 0.507 2.079) 2.142 12.208 ( -0.880 -0.440 0.788) 1.260 12.659 ( 4.993 -7.120 -7.793) 11.678 12.929 ( 5.227 0.630 2.914) 6.017 13.065 ( 0.858 5.272 -6.266) 8.234 13.413 ( -3.025 -6.529 6.583) 9.752 14.153 ( -7.281 -8.679 -18.259) 21.488 14.331 ( 0.949 3.624 10.067) 10.742 14.556 ( 0.964 5.944 4.509) 7.523 15.301 ( -4.299 6.905 10.373) 13.182 16.112 ( 1.164 -0.248 -6.388) 6.498 ======================= Grid point 102 (52/104) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -11.176 1.240 18.623) 21.754 1.169 ( -11.615 10.749 17.330) 23.468 1.826 ( 1.348 3.985 -5.832) 7.191 1.957 ( -4.715 14.400 4.166) 15.714 2.200 ( -6.419 8.783 13.968) 17.704 2.252 ( 8.352 2.089 2.580) 8.987 2.397 ( -0.818 5.822 4.771) 7.571 2.542 ( 2.336 -4.188 -0.031) 4.795 2.675 ( -0.561 -5.486 -1.399) 5.689 2.709 ( 1.452 2.055 1.779) 3.081 2.788 ( 4.160 -3.645 -1.610) 5.761 3.037 ( 0.861 -2.298 -0.517) 2.508 3.229 ( -3.674 -5.203 1.259) 6.493 3.415 ( 5.883 2.058 -2.253) 6.627 3.506 ( 2.937 0.443 -2.431) 3.838 3.531 ( -5.420 1.740 5.123) 7.658 3.762 ( -6.612 -6.443 -6.365) 11.214 3.933 ( -3.270 3.182 -0.147) 4.565 4.085 ( 2.301 -4.502 -2.103) 5.476 4.232 ( 3.844 -1.746 -2.976) 5.165 4.344 ( 1.818 0.263 -3.114) 3.615 4.708 ( 2.040 8.954 -8.052) 12.214 4.892 ( 6.842 -1.849 7.844) 10.572 5.225 ( 1.484 -6.105 8.617) 10.664 5.377 ( 1.142 -2.829 2.825) 4.158 5.528 ( -2.519 -0.600 1.700) 3.098 5.769 ( -1.833 -4.195 0.122) 4.580 6.108 ( 0.675 -2.543 -6.881) 7.367 6.188 ( -3.553 -0.828 4.839) 6.060 6.323 ( -1.467 -0.478 3.007) 3.380 6.431 ( -2.984 -0.752 1.146) 3.284 6.576 ( 1.966 0.563 -0.315) 2.069 6.752 ( 1.325 -2.214 -0.594) 2.648 6.932 ( 2.179 -5.204 -1.282) 5.786 7.082 ( 3.159 -0.387 2.314) 3.934 7.226 ( -6.963 -1.120 -0.659) 7.083 7.300 ( -2.980 6.521 -3.515) 7.985 7.523 ( -9.591 5.989 8.828) 14.345 7.560 ( -2.460 10.698 -3.639) 11.565 7.998 ( 1.669 -1.555 -0.378) 2.312 8.205 ( 4.021 -3.035 -1.524) 5.263 8.268 ( 6.122 1.276 -3.849) 7.343 8.409 ( 4.410 -0.567 -5.977) 7.449 8.533 ( 0.976 3.383 -2.567) 4.357 8.758 ( 4.118 -1.845 3.116) 5.483 9.025 ( -6.142 -7.349 3.313) 10.134 9.350 ( 0.630 4.927 -6.853) 8.464 9.513 ( -2.360 0.120 -2.665) 3.562 12.065 ( -0.208 0.843 1.826) 2.022 12.136 ( 0.487 0.346 1.769) 1.867 12.187 ( -1.207 -0.547 0.767) 1.531 12.663 ( -0.880 -7.360 -13.052) 15.010 13.017 ( 1.634 4.301 -2.750) 5.360 13.192 ( 9.365 -5.474 4.782) 11.855 13.365 ( -1.276 -5.608 5.708) 8.103 13.893 ( -10.715 0.085 -15.781) 19.076 14.360 ( -1.331 1.838 9.881) 10.138 14.632 ( 4.677 6.765 2.691) 8.654 15.270 ( -1.849 7.724 10.354) 13.049 16.102 ( 0.092 -1.061 -6.352) 6.440 ======================= Grid point 103 (53/104) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.664 15.842 11.245) 19.438 1.382 ( -4.768 17.504 11.237) 21.339 1.983 ( 4.020 2.338 -0.910) 4.739 2.138 ( 1.802 2.078 -4.892) 5.613 2.259 ( -3.962 -3.423 -1.955) 5.589 2.418 ( 6.495 -3.410 -4.598) 8.658 2.505 ( 0.291 4.932 7.642) 9.100 2.618 ( -2.806 20.799 16.215) 26.521 2.669 ( 2.308 1.235 6.544) 7.048 2.755 ( -2.012 -5.112 -0.701) 5.538 2.848 ( 3.678 -0.815 -0.350) 3.783 2.897 ( 3.692 -0.203 1.444) 3.969 3.116 ( -0.969 -1.677 -2.484) 3.150 3.269 ( -6.114 -8.527 -2.963) 10.902 3.407 ( -7.807 -0.529 -7.558) 10.878 3.491 ( -1.014 -4.154 -2.447) 4.927 3.665 ( 0.146 1.750 -6.603) 6.832 3.935 ( 2.463 -2.263 3.116) 4.571 4.149 ( 2.128 2.476 3.388) 4.705 4.281 ( 1.178 2.512 3.998) 4.867 4.318 ( 0.359 -1.470 -2.866) 3.241 4.758 ( -2.667 -4.740 -1.865) 5.750 4.986 ( 6.598 -5.562 6.812) 10.993 5.132 ( 0.015 -7.813 6.317) 10.048 5.341 ( -3.736 5.415 1.436) 6.734 5.484 ( -1.710 1.802 -2.880) 3.804 5.645 ( 0.512 -4.337 0.220) 4.373 6.000 ( -1.813 -5.043 -5.618) 7.764 6.133 ( -2.656 -1.789 4.377) 5.423 6.208 ( -0.842 -2.184 2.591) 3.492 6.546 ( 5.266 0.509 -1.854) 5.606 6.625 ( 2.782 -1.092 -1.569) 3.376 6.784 ( 0.843 -0.745 0.297) 1.164 6.830 ( 0.365 1.180 0.606) 1.376 7.013 ( -4.898 -4.646 0.877) 6.808 7.180 ( 5.575 -2.585 1.103) 6.244 7.344 ( -3.031 6.656 1.815) 7.536 7.604 ( -3.663 7.867 4.480) 9.766 7.786 ( 0.051 9.382 -2.818) 9.796 8.003 ( -0.995 0.315 0.140) 1.053 8.201 ( -0.659 -0.088 -0.110) 0.674 8.367 ( -0.119 -0.068 -6.179) 6.181 8.455 ( 4.368 -0.599 -1.749) 4.743 8.508 ( 0.599 -1.038 -2.749) 2.999 8.788 ( -3.510 -0.131 1.601) 3.860 8.801 ( 1.489 -4.428 6.680) 8.152 9.379 ( -1.613 2.058 -6.807) 7.291 9.475 ( -0.757 0.137 -5.715) 5.767 12.084 ( -0.381 1.022 -0.684) 1.288 12.147 ( -0.112 -1.094 0.971) 1.467 12.184 ( 0.930 2.020 -1.451) 2.656 12.442 ( -1.491 -5.334 -8.489) 10.135 13.019 ( -5.228 1.150 5.950) 8.003 13.186 ( 0.855 2.495 -2.770) 3.824 13.472 ( 11.393 -5.746 2.274) 12.961 13.672 ( -2.139 -4.424 -11.847) 12.826 14.467 ( -4.189 8.596 11.793) 15.182 14.773 ( -0.622 0.999 6.071) 6.184 15.508 ( 2.438 9.400 2.112) 9.938 16.006 ( -0.151 -4.838 -5.186) 7.094 ======================= Grid point 104 (54/104) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 6.772 13.230 11.077) 18.537 1.336 ( -2.517 17.545 9.793) 20.250 2.011 ( -2.448 1.770 -1.784) 3.508 2.132 ( -1.494 -0.759 -1.972) 2.588 2.238 ( 2.997 -1.793 -0.859) 3.596 2.435 ( -3.979 1.473 -5.411) 6.876 2.516 ( -1.408 -1.092 7.200) 7.417 2.661 ( 0.253 13.772 9.798) 16.904 2.689 ( 1.371 -1.347 2.305) 3.001 2.794 ( 4.500 2.954 7.576) 9.294 2.875 ( 0.176 3.585 -7.323) 8.155 3.015 ( 0.529 -1.815 0.757) 2.037 3.125 ( -0.879 -1.409 -1.075) 1.978 3.150 ( 3.830 -6.120 -1.512) 7.376 3.284 ( -0.788 -0.997 -0.549) 1.384 3.456 ( -2.607 -4.200 -1.444) 5.150 3.611 ( -1.367 1.713 -4.565) 5.064 4.049 ( 6.452 -5.320 -2.287) 8.669 4.170 ( -1.158 3.274 3.970) 5.274 4.271 ( -1.791 0.219 1.811) 2.557 4.328 ( -0.491 1.407 -1.490) 2.107 4.689 ( -2.784 -3.050 -0.086) 4.131 5.103 ( -0.733 -5.297 3.838) 6.582 5.140 ( 0.427 -10.913 8.732) 13.983 5.244 ( -5.208 5.795 -0.575) 7.812 5.442 ( -0.911 3.460 -3.525) 5.023 5.684 ( 2.546 -5.848 0.314) 6.386 5.959 ( -0.106 -5.985 -2.484) 6.481 6.145 ( 3.979 -2.137 3.223) 5.549 6.251 ( 3.551 -2.942 -1.909) 4.991 6.574 ( -0.936 -0.439 -2.557) 2.759 6.673 ( -0.617 -4.225 1.131) 4.417 6.771 ( -0.947 -1.012 0.880) 1.642 6.839 ( -1.332 6.956 1.805) 7.309 6.936 ( -1.720 -2.499 0.756) 3.126 7.250 ( -1.591 0.153 9.161) 9.299 7.384 ( 7.268 1.439 -3.387) 8.147 7.547 ( -1.243 8.600 -1.392) 8.800 7.804 ( 1.717 4.668 -1.157) 5.107 7.968 ( -3.026 -2.142 -0.534) 3.746 8.112 ( -4.504 2.008 -0.729) 4.985 8.352 ( -0.439 -2.854 -2.431) 3.775 8.528 ( 2.417 0.925 -4.830) 5.480 8.547 ( 3.555 0.885 -3.090) 4.793 8.658 ( -6.625 6.043 3.386) 9.585 8.905 ( 3.890 -4.279 6.179) 8.463 9.323 ( -1.553 2.413 -6.322) 6.943 9.459 ( 1.546 -0.256 -5.195) 5.426 12.074 ( -0.326 0.924 -0.294) 1.023 12.155 ( 0.709 -1.169 0.808) 1.588 12.194 ( 0.252 2.305 -1.683) 2.866 12.391 ( -0.478 -3.300 -5.452) 6.390 12.938 ( -3.736 2.522 3.231) 5.546 13.183 ( -0.409 0.535 -1.335) 1.495 13.587 ( -1.870 -0.685 -7.765) 8.017 13.730 ( 11.472 -9.768 -1.530) 15.144 14.412 ( -4.845 7.288 11.142) 14.168 14.743 ( -3.968 0.463 5.758) 7.009 15.563 ( 1.497 8.663 2.244) 9.073 16.006 ( 2.043 -4.049 -5.616) 7.219 ======================= Grid point 105 (55/104) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 3.387 13.990 7.020) 16.015 1.513 ( 7.614 8.341 8.740) 14.281 1.906 ( -5.822 4.162 0.006) 7.157 2.086 ( -2.488 -1.020 2.792) 3.876 2.210 ( -7.828 -1.573 0.617) 8.008 2.362 ( -0.879 -3.656 -3.189) 4.930 2.469 ( -1.810 8.328 0.724) 8.553 2.645 ( -2.635 -0.641 1.886) 3.303 2.747 ( -5.656 -1.724 -7.752) 9.750 2.823 ( 4.710 -1.409 1.235) 5.069 2.891 ( -2.774 -2.733 -6.888) 7.913 2.978 ( 7.235 10.895 7.288) 14.972 3.241 ( 6.304 2.715 2.882) 7.445 3.270 ( 4.743 -3.302 4.437) 7.286 3.358 ( 6.804 3.833 1.627) 7.977 3.372 ( -4.456 -2.817 3.463) 6.307 3.629 ( 4.085 -1.444 -3.312) 5.454 4.047 ( -6.760 2.838 -0.065) 7.332 4.192 ( 1.636 -3.932 -0.868) 4.347 4.251 ( -0.453 0.454 0.617) 0.890 4.266 ( -3.258 -1.783 -2.023) 4.229 4.677 ( 1.440 0.291 1.615) 2.183 5.042 ( -4.662 -5.417 3.844) 8.115 5.128 ( -4.848 2.692 1.946) 5.877 5.186 ( 0.374 -4.190 2.499) 4.893 5.419 ( -0.179 0.998 -1.916) 2.168 5.726 ( 1.093 -3.916 0.636) 4.115 5.983 ( 2.733 -7.179 -1.772) 7.883 6.303 ( 8.693 -4.718 1.466) 9.999 6.316 ( 2.933 -2.794 -2.469) 4.744 6.523 ( -2.581 -0.150 -1.081) 2.802 6.597 ( -5.907 -4.400 1.208) 7.464 6.755 ( -1.140 0.374 1.002) 1.563 6.782 ( -4.028 6.068 2.821) 7.811 6.954 ( 2.090 -1.961 2.445) 3.767 7.218 ( -4.608 0.866 9.413) 10.516 7.523 ( 5.370 -2.202 -2.609) 6.363 7.568 ( 4.771 6.701 -4.197) 9.235 7.830 ( -2.333 -0.454 4.987) 5.525 7.880 ( -0.083 -1.229 -7.923) 8.018 8.079 ( 1.154 1.929 -3.017) 3.762 8.312 ( -2.049 -1.834 -2.278) 3.571 8.464 ( -6.996 6.414 0.083) 9.491 8.587 ( 2.478 4.474 -4.724) 6.962 8.639 ( 2.043 4.119 0.802) 4.668 8.994 ( 2.152 -5.065 6.852) 8.789 9.283 ( 0.647 3.819 -7.723) 8.640 9.495 ( 2.883 -1.446 -3.196) 4.541 12.070 ( 0.069 1.208 -0.266) 1.239 12.178 ( -0.006 1.473 -0.142) 1.480 12.182 ( 0.117 -0.214 0.717) 0.757 12.390 ( 2.073 -4.193 -4.776) 6.685 12.895 ( -1.234 3.071 1.253) 3.539 13.166 ( -0.681 -0.867 -0.705) 1.308 13.505 ( -3.532 1.144 -6.034) 7.085 13.931 ( 8.106 -13.160 -4.937) 16.226 14.364 ( -3.233 6.883 11.464) 13.757 14.675 ( -4.197 1.126 7.230) 8.435 15.576 ( -1.097 9.326 3.017) 9.862 16.039 ( 2.835 -3.440 -6.284) 7.704 ======================= Grid point 106 (56/104) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 5.383 9.170 5.494) 11.969 1.556 ( -6.590 6.885 4.651) 10.604 1.878 ( 3.101 3.655 4.893) 6.850 2.024 ( -5.347 0.965 0.013) 5.433 2.105 ( 0.361 5.493 6.729) 8.694 2.267 ( -5.125 -1.793 -4.497) 7.050 2.447 ( -1.799 2.169 -5.016) 5.753 2.594 ( -2.835 -5.941 1.689) 6.796 2.662 ( 1.525 0.555 -4.639) 4.915 2.753 ( -3.561 0.509 -4.531) 5.786 2.931 ( 0.678 -4.999 -1.624) 5.299 3.145 ( 4.494 7.577 7.869) 11.812 3.251 ( -3.443 1.999 2.867) 4.906 3.349 ( 0.446 5.846 8.359) 10.210 3.470 ( 8.687 -5.636 0.481) 10.366 3.482 ( 5.010 6.412 -2.306) 8.457 3.703 ( 2.041 -1.123 -0.206) 2.339 3.885 ( -6.125 4.146 2.349) 7.761 4.110 ( -5.679 -5.039 -3.808) 8.494 4.252 ( 0.497 0.703 -1.412) 1.654 4.275 ( 2.037 -3.193 -0.189) 3.792 4.731 ( 2.238 -0.043 2.414) 3.293 4.956 ( -4.247 -3.443 0.553) 5.495 5.046 ( -3.461 1.734 3.900) 5.496 5.216 ( 2.502 -0.679 0.444) 2.630 5.433 ( 1.604 -2.654 1.245) 3.342 5.744 ( 0.828 -0.944 0.048) 1.256 6.023 ( 0.961 -8.331 -2.344) 8.707 6.330 ( -1.583 -1.560 0.090) 2.224 6.406 ( -1.025 -1.168 -0.755) 1.728 6.485 ( -3.391 -4.614 0.452) 5.744 6.518 ( 2.408 -1.445 2.087) 3.500 6.710 ( -2.188 4.353 1.500) 5.097 6.759 ( 0.640 -0.779 1.623) 1.910 7.018 ( 2.192 -2.066 3.242) 4.426 7.146 ( -3.832 -2.615 5.959) 7.552 7.556 ( -0.224 0.641 -1.557) 1.699 7.706 ( 7.367 5.237 -3.761) 9.790 7.729 ( -4.373 -2.989 2.263) 5.760 7.955 ( 6.739 -2.117 -6.993) 9.940 8.112 ( 3.283 1.781 -4.908) 6.168 8.222 ( -9.212 5.995 5.827) 12.440 8.352 ( -0.574 3.232 -5.555) 6.453 8.612 ( 1.367 4.952 -4.112) 6.580 8.674 ( 1.035 2.517 0.602) 2.788 9.029 ( -1.235 -6.022 5.541) 8.276 9.306 ( 4.078 4.424 -6.636) 8.957 9.536 ( 1.823 -1.735 -2.900) 3.840 12.075 ( 0.518 1.580 -0.642) 1.782 12.156 ( -1.145 1.913 1.038) 2.459 12.201 ( 0.298 -0.726 0.917) 1.207 12.433 ( 3.696 -6.634 -6.010) 9.685 12.899 ( 1.266 3.348 1.636) 3.936 13.154 ( -0.050 -0.578 -1.278) 1.404 13.403 ( -4.428 0.839 -3.060) 5.447 13.994 ( 0.678 -15.367 -10.989) 18.904 14.385 ( 0.894 7.725 13.299) 15.406 14.638 ( -2.046 2.485 9.038) 9.594 15.546 ( -2.681 10.300 3.296) 11.142 16.067 ( 1.894 -3.534 -6.389) 7.543 ======================= Grid point 107 (57/104) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -10.300 11.127 5.089) 15.994 1.556 ( -5.271 10.983 10.561) 16.122 1.933 ( 0.369 3.372 -3.501) 4.875 2.036 ( 7.805 2.509 2.434) 8.552 2.161 ( -2.357 -2.321 -6.734) 7.502 2.205 ( 5.520 3.168 6.198) 8.884 2.417 ( -0.118 1.301 3.945) 4.156 2.550 ( -1.647 -8.440 -0.096) 8.600 2.686 ( 0.997 1.243 -6.208) 6.409 2.709 ( 0.550 4.149 0.582) 4.226 2.923 ( 0.035 -7.196 -1.607) 7.373 3.097 ( -11.173 12.619 9.830) 19.512 3.209 ( -4.745 3.641 3.922) 7.152 3.350 ( 1.334 1.339 1.703) 2.544 3.558 ( 4.003 6.156 -4.391) 8.556 3.608 ( 3.124 -6.856 -5.821) 9.521 3.675 ( -3.555 -0.887 2.519) 4.446 3.910 ( 5.316 3.750 5.274) 8.375 4.000 ( -3.287 -5.864 -2.310) 7.108 4.216 ( -1.565 -2.918 -3.132) 4.558 4.334 ( 1.897 1.462 0.758) 2.512 4.772 ( 1.062 -2.063 2.607) 3.490 4.876 ( -3.021 0.036 -0.202) 3.028 5.037 ( 0.782 -2.083 5.172) 5.630 5.294 ( 4.118 1.330 1.486) 4.575 5.477 ( 1.672 -3.042 1.813) 3.916 5.747 ( -1.298 -1.407 -1.168) 2.242 6.010 ( 0.380 -6.919 -4.632) 8.335 6.261 ( -4.995 -0.497 2.598) 5.652 6.358 ( -1.487 0.976 -0.849) 1.971 6.442 ( -2.041 -3.460 0.276) 4.027 6.564 ( 0.839 -0.730 2.735) 2.952 6.698 ( 0.361 1.183 0.991) 1.585 6.796 ( 1.755 -1.916 1.280) 2.897 7.036 ( 0.046 -0.503 1.892) 1.958 7.137 ( -0.370 -8.052 3.691) 8.866 7.523 ( -2.639 4.332 -1.524) 5.296 7.638 ( -2.805 -0.420 2.574) 3.830 7.881 ( 8.135 2.325 -3.527) 9.167 8.020 ( -9.844 12.477 4.401) 16.491 8.064 ( 5.069 -1.855 -4.700) 7.157 8.191 ( 5.948 1.589 -4.494) 7.623 8.356 ( 1.800 -0.276 -5.149) 5.461 8.616 ( 0.220 3.420 -3.250) 4.723 8.690 ( 0.351 0.360 1.513) 1.594 8.981 ( -4.759 -6.603 4.138) 9.131 9.382 ( 4.645 3.417 -5.886) 8.240 9.541 ( -0.233 -1.228 -3.346) 3.572 12.084 ( 0.694 1.818 -1.198) 2.285 12.143 ( -0.518 1.250 1.383) 1.935 12.197 ( -0.822 -0.460 0.807) 1.240 12.484 ( 3.261 -8.637 -8.638) 12.643 12.965 ( 3.998 2.495 4.743) 6.686 13.156 ( 0.965 1.422 -2.981) 3.441 13.310 ( -3.799 -0.572 0.316) 3.855 13.912 ( -3.455 -12.814 -13.137) 18.674 14.458 ( 0.762 7.357 12.560) 14.576 14.659 ( 0.795 3.285 9.379) 9.969 15.499 ( -2.658 10.804 3.192) 11.575 16.067 ( 0.350 -4.265 -6.180) 7.517 ======================= Grid point 108 (58/104) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -6.427 14.946 8.457) 18.336 1.455 ( -6.699 14.962 11.953) 20.288 1.926 ( 1.573 4.721 -3.980) 6.372 2.124 ( 0.769 -0.687 -4.710) 4.822 2.254 ( 10.078 -0.488 -0.966) 10.136 2.326 ( 1.492 0.254 3.080) 3.432 2.423 ( 0.714 -1.415 6.463) 6.655 2.558 ( 1.683 -2.558 4.373) 5.339 2.704 ( 2.171 5.681 -3.744) 7.141 2.743 ( 2.691 0.930 3.315) 4.370 2.842 ( -13.238 18.021 9.170) 24.168 2.915 ( -1.236 -7.629 0.110) 7.729 3.150 ( -1.970 -1.589 0.551) 2.590 3.373 ( -0.551 -4.873 -5.104) 7.078 3.523 ( -3.904 -3.041 -4.901) 6.965 3.597 ( -5.731 1.517 -0.300) 5.936 3.636 ( 3.200 0.594 -4.870) 5.858 3.942 ( -2.322 -4.580 0.064) 5.136 4.054 ( 5.509 3.020 4.781) 7.895 4.218 ( 2.407 -0.089 0.816) 2.543 4.339 ( -0.959 0.005 -0.755) 1.220 4.792 ( 0.027 -3.962 -0.938) 4.071 4.865 ( 2.039 -0.394 4.369) 4.837 5.088 ( 1.646 -5.489 6.093) 8.364 5.364 ( 1.026 3.215 2.986) 4.506 5.505 ( 0.447 -1.469 0.035) 1.536 5.679 ( -3.287 -2.974 -2.226) 4.960 6.029 ( 2.285 -5.079 -8.049) 9.788 6.170 ( -4.081 -0.577 4.424) 6.047 6.298 ( -6.555 -2.182 5.598) 8.892 6.437 ( 3.732 1.352 -1.955) 4.425 6.589 ( 1.461 -1.410 -0.621) 2.123 6.734 ( 2.781 1.144 -0.204) 3.014 6.826 ( 0.557 -2.396 1.083) 2.688 7.077 ( 3.270 -2.505 0.628) 4.167 7.104 ( -3.521 -6.353 1.930) 7.516 7.434 ( -5.136 5.465 0.152) 7.502 7.628 ( -0.604 2.910 5.008) 5.824 7.851 ( -5.905 13.881 0.740) 15.103 7.998 ( 2.617 1.909 -1.814) 3.713 8.149 ( 4.403 -1.476 -2.746) 5.394 8.310 ( 6.615 2.422 -5.985) 9.244 8.390 ( 3.260 -1.233 -3.748) 5.118 8.575 ( -3.874 0.122 -1.425) 4.130 8.717 ( 2.031 -2.430 2.631) 4.118 8.887 ( -5.162 -5.324 4.253) 8.549 9.422 ( 0.992 2.260 -7.871) 8.249 9.511 ( -1.089 -0.445 -3.541) 3.732 12.090 ( 0.180 1.547 -1.233) 1.987 12.144 ( 0.111 0.282 0.963) 1.009 12.181 ( -0.596 0.372 0.166) 0.722 12.490 ( 0.561 -8.185 -10.319) 13.184 13.063 ( 0.737 -0.057 7.415) 7.452 13.171 ( 1.521 2.684 -3.542) 4.698 13.286 ( 3.364 -1.228 1.773) 3.996 13.783 ( -3.946 -8.607 -13.169) 16.220 14.490 ( -2.007 8.336 12.099) 14.829 14.727 ( 2.117 2.469 7.913) 8.555 15.475 ( -0.408 10.551 2.803) 10.925 16.039 ( -0.803 -4.967 -5.693) 7.598 ======================= Grid point 109 (59/104) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.848 18.337 3.428) 18.673 1.728 ( -2.565 14.128 6.753) 15.868 1.915 ( 1.529 -12.178 1.402) 12.353 1.973 ( -1.445 -9.695 1.476) 9.913 2.278 ( 0.573 3.434 -4.913) 6.022 2.353 ( 2.013 -2.998 -4.539) 5.800 2.597 ( 4.528 -0.887 7.381) 8.704 2.606 ( 2.859 -1.901 4.909) 5.990 2.714 ( 0.399 6.452 0.177) 6.467 2.839 ( 7.535 -2.562 -2.032) 8.214 2.908 ( 0.951 4.096 -2.577) 4.932 3.047 ( -2.993 -5.832 -1.866) 6.815 3.123 ( -2.155 6.905 2.537) 7.665 3.136 ( -4.889 2.542 -4.790) 7.302 3.400 ( -5.577 4.249 -3.232) 7.721 3.470 ( -5.994 0.699 -3.120) 6.793 3.666 ( 0.544 0.215 -1.218) 1.351 3.805 ( 0.680 -9.903 7.101) 12.205 4.206 ( 2.911 3.268 0.063) 4.377 4.275 ( 1.949 -2.770 -1.255) 3.612 4.397 ( -1.368 7.695 10.021) 12.708 4.586 ( -2.532 -9.550 7.949) 12.681 4.924 ( 2.174 -0.384 3.762) 4.362 4.976 ( -0.099 -5.334 2.352) 5.830 5.456 ( -1.598 3.039 0.583) 3.483 5.503 ( 0.794 -1.491 -1.027) 1.977 5.665 ( -1.204 7.999 -5.581) 9.827 5.859 ( -1.300 -8.398 -7.983) 11.659 6.112 ( -2.381 0.184 4.004) 4.662 6.146 ( -2.140 -2.845 3.271) 4.834 6.552 ( 3.138 0.417 -1.638) 3.565 6.577 ( 2.371 -2.070 -1.395) 3.443 6.796 ( -0.679 2.763 2.288) 3.651 6.883 ( -0.434 -4.218 1.064) 4.372 6.955 ( 2.457 5.437 -0.164) 5.969 7.088 ( 4.824 -5.822 -1.272) 7.667 7.500 ( -2.682 7.509 4.906) 9.362 7.634 ( -1.820 -3.997 6.334) 7.708 7.964 ( -4.792 6.176 -1.464) 7.952 8.019 ( -3.321 0.242 -1.364) 3.598 8.232 ( 0.492 3.692 0.372) 3.743 8.334 ( -3.179 -3.949 -2.320) 5.575 8.466 ( 5.298 1.269 -3.569) 6.513 8.490 ( 3.967 -0.883 -4.256) 5.885 8.737 ( 2.211 -0.529 4.530) 5.069 8.765 ( -0.889 -2.013 1.628) 2.737 9.419 ( -1.260 1.866 -6.828) 7.190 9.457 ( -0.801 -1.551 -6.340) 6.576 12.105 ( -0.704 0.966 -0.123) 1.202 12.125 ( -0.523 -0.958 0.594) 1.243 12.242 ( 1.613 3.464 -4.621) 5.996 12.331 ( 0.765 -4.866 -6.961) 8.528 13.082 ( -2.478 4.503 4.954) 7.138 13.184 ( -0.347 -3.777 1.754) 4.178 13.431 ( 5.831 3.003 -4.273) 7.828 13.546 ( 1.155 -6.538 -9.032) 11.210 14.650 ( -3.774 7.451 11.674) 14.354 14.759 ( -2.382 -2.668 10.082) 10.697 15.701 ( 1.690 8.728 -1.702) 9.052 15.874 ( 0.630 -7.367 -3.815) 8.320 ======================= Grid point 110 (60/104) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 3.767 15.940 4.824) 17.075 1.699 ( -2.008 15.690 5.476) 16.739 1.946 ( -0.309 -12.212 0.938) 12.252 1.973 ( 1.718 -9.441 2.002) 9.803 2.223 ( -4.408 2.386 -2.111) 5.438 2.317 ( -3.791 -5.632 -3.904) 7.831 2.657 ( 1.802 0.482 1.643) 2.486 2.664 ( -0.117 1.170 1.013) 1.552 2.773 ( 4.053 8.181 2.385) 9.436 2.878 ( -2.106 0.176 -7.987) 8.262 2.965 ( -2.082 0.017 -2.041) 2.915 3.021 ( 2.951 0.559 1.778) 3.491 3.035 ( 0.553 -1.543 0.247) 1.658 3.166 ( 1.653 -6.531 1.330) 6.867 3.315 ( 2.529 10.631 -0.562) 10.942 3.405 ( 0.625 0.311 -2.432) 2.531 3.664 ( -0.365 5.031 0.846) 5.115 3.871 ( 3.993 -11.171 2.061) 12.041 4.231 ( -0.903 2.594 0.202) 2.755 4.276 ( -1.391 -1.117 -0.117) 1.788 4.390 ( -3.250 6.086 9.863) 12.037 4.565 ( -2.178 -8.454 10.470) 13.632 4.976 ( -0.004 -3.334 2.499) 4.167 4.989 ( 1.482 -3.798 1.926) 4.509 5.395 ( -3.648 6.306 -2.878) 7.833 5.491 ( -1.183 -1.799 -4.222) 4.739 5.647 ( 1.349 5.052 -1.333) 5.397 5.813 ( -0.204 -8.042 -4.019) 8.993 6.125 ( 3.008 0.491 1.852) 3.567 6.171 ( 3.203 -3.635 -0.300) 4.854 6.568 ( -1.040 0.095 -1.174) 1.571 6.592 ( -1.263 -2.468 -0.019) 2.772 6.785 ( -1.151 2.164 2.741) 3.677 6.852 ( -1.882 -3.770 2.122) 4.718 7.019 ( 1.779 7.940 1.134) 8.215 7.173 ( 2.138 -6.192 2.339) 6.956 7.486 ( 0.455 6.738 2.757) 7.294 7.608 ( -1.881 -3.168 4.463) 5.787 7.883 ( -2.162 3.604 -3.225) 5.297 7.937 ( -3.564 -1.416 -4.050) 5.577 8.188 ( -3.293 4.715 0.323) 5.760 8.285 ( -1.771 -3.862 -0.238) 4.255 8.545 ( 3.554 0.888 -4.462) 5.773 8.560 ( 4.154 -0.128 -4.351) 6.017 8.755 ( -0.286 3.436 3.200) 4.704 8.823 ( 3.009 -3.325 4.796) 6.566 9.376 ( -0.362 2.587 -6.663) 7.156 9.429 ( 0.662 -2.224 -6.303) 6.717 12.097 ( 0.019 1.273 -0.256) 1.299 12.126 ( 0.528 -1.455 0.380) 1.594 12.249 ( 0.601 2.875 -4.449) 5.332 12.317 ( 0.202 -3.452 -5.893) 6.833 13.036 ( -2.887 6.025 2.833) 7.256 13.154 ( -2.251 -3.849 0.171) 4.462 13.548 ( 2.392 -1.691 -5.932) 6.616 13.566 ( 6.393 -4.240 -3.790) 8.557 14.592 ( -5.415 8.032 11.598) 15.111 14.716 ( -4.802 -3.394 9.944) 11.552 15.741 ( 2.297 7.935 -1.586) 8.411 15.895 ( 2.474 -6.356 -4.043) 7.929 ======================= Grid point 111 (61/104) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 1.247 15.145 3.792) 15.662 1.744 ( 4.107 12.943 4.103) 14.185 1.947 ( 0.101 -6.185 -1.251) 6.312 2.001 ( 0.219 -7.271 2.805) 7.797 2.106 ( -5.781 -1.119 1.647) 6.114 2.221 ( -3.523 -8.101 -1.376) 8.941 2.568 ( -6.804 3.211 -0.735) 7.559 2.653 ( -6.674 -4.519 -2.627) 8.477 2.804 ( 1.632 2.482 -8.218) 8.738 2.848 ( -0.226 1.029 -2.841) 3.030 2.864 ( -1.649 10.838 -1.349) 11.045 3.106 ( 4.893 1.400 5.518) 7.506 3.160 ( 6.524 -4.617 1.984) 8.235 3.182 ( 1.280 -10.253 2.711) 10.682 3.445 ( 5.809 6.054 -0.302) 8.396 3.467 ( 5.627 2.755 -1.975) 6.569 3.698 ( 3.685 10.610 3.313) 11.710 3.960 ( 3.467 -10.680 -2.456) 11.494 4.162 ( -5.480 1.601 0.373) 5.722 4.209 ( -4.857 -2.520 -0.361) 5.484 4.359 ( -2.771 8.528 11.640) 14.694 4.575 ( -1.172 -9.807 12.397) 15.850 4.960 ( -1.453 -0.429 0.194) 1.527 5.019 ( 0.184 -5.349 2.700) 5.995 5.313 ( -2.132 8.243 -4.537) 9.648 5.436 ( -1.760 -2.090 -5.443) 6.091 5.698 ( 3.098 2.716 -0.796) 4.196 5.825 ( 1.897 -7.632 -2.486) 8.247 6.239 ( 6.744 -1.127 0.644) 6.868 6.254 ( 4.551 -2.270 -0.941) 5.172 6.515 ( -3.269 -0.304 -0.108) 3.285 6.528 ( -4.507 -1.865 0.519) 4.905 6.770 ( -1.145 2.079 3.298) 4.063 6.831 ( -1.275 -2.800 2.720) 4.107 7.013 ( -2.899 7.556 4.488) 9.254 7.165 ( -4.446 -5.693 6.339) 9.610 7.541 ( 3.727 3.542 -0.500) 5.166 7.618 ( 2.256 -2.194 0.413) 3.174 7.833 ( -2.570 1.638 -2.700) 4.072 7.866 ( 0.239 -0.943 -6.690) 6.760 8.152 ( 0.221 4.572 -1.989) 4.991 8.250 ( -0.861 -4.086 -1.522) 4.445 8.564 ( -1.383 3.604 -0.572) 3.903 8.616 ( 2.028 -0.923 -2.518) 3.363 8.767 ( 0.500 6.124 1.140) 6.249 8.884 ( 1.097 -5.189 4.603) 7.022 9.365 ( 1.828 3.879 -6.778) 8.020 9.443 ( 2.489 -3.252 -5.206) 6.623 12.104 ( 0.787 1.982 -0.732) 2.255 12.148 ( 1.289 -1.944 0.272) 2.349 12.234 ( -0.554 2.766 -3.356) 4.384 12.302 ( 0.415 -3.747 -5.450) 6.627 12.997 ( -1.526 5.853 1.867) 6.331 13.111 ( -1.740 -4.247 0.654) 4.636 13.542 ( -0.449 3.182 -6.160) 6.948 13.673 ( 4.135 -9.569 -4.618) 11.401 14.537 ( -3.459 7.823 12.459) 15.113 14.658 ( -3.899 -3.169 10.944) 12.043 15.771 ( 0.909 8.630 -1.627) 8.829 15.933 ( 2.362 -6.451 -4.562) 8.246 ======================= Grid point 112 (62/104) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.230 12.010 0.553) 12.025 1.801 ( 1.274 15.097 3.413) 15.531 1.939 ( 0.905 -2.140 -2.043) 3.094 2.002 ( -1.891 0.819 4.280) 4.751 2.067 ( 2.191 -7.875 -0.167) 8.176 2.160 ( -2.876 -10.797 2.162) 11.381 2.438 ( -4.445 0.899 0.926) 4.629 2.478 ( -6.756 -2.059 -1.724) 7.270 2.754 ( -2.502 2.353 -5.639) 6.603 2.811 ( -0.399 -3.795 -5.271) 6.507 2.895 ( 1.280 12.557 0.120) 12.622 3.170 ( -0.605 -9.730 1.356) 9.842 3.248 ( 4.471 2.810 4.812) 7.144 3.312 ( 5.666 -5.081 -0.703) 7.643 3.545 ( 3.507 6.641 2.489) 7.911 3.592 ( 6.803 1.936 -0.329) 7.081 3.775 ( 0.153 8.243 0.431) 8.256 3.938 ( -3.773 -4.134 -4.292) 7.053 4.036 ( -5.587 1.888 1.395) 6.060 4.138 ( -1.468 -6.279 0.487) 6.467 4.366 ( -0.396 8.347 10.510) 13.427 4.593 ( -1.696 -11.192 12.695) 17.009 4.931 ( -1.251 2.092 0.334) 2.460 5.013 ( -1.434 -4.645 1.440) 5.070 5.303 ( 2.714 7.139 -3.103) 8.243 5.406 ( 0.739 -1.872 -3.401) 3.952 5.746 ( 1.876 1.843 -2.636) 3.724 5.848 ( 1.182 -7.406 -4.109) 8.551 6.315 ( 0.432 0.650 0.866) 1.166 6.361 ( 2.956 -3.250 1.200) 4.554 6.432 ( -3.811 0.488 0.487) 3.873 6.470 ( -0.159 -2.486 0.885) 2.644 6.768 ( -0.147 1.994 2.801) 3.441 6.803 ( -2.215 0.981 1.910) 3.085 6.980 ( -1.014 1.218 5.305) 5.537 7.066 ( -6.072 -4.769 5.436) 9.443 7.597 ( 1.347 2.607 -0.274) 2.947 7.657 ( -0.666 -3.144 0.446) 3.245 7.817 ( 4.473 4.949 -5.039) 8.360 7.906 ( 5.549 -3.130 -5.765) 8.592 8.174 ( 2.778 3.714 -3.711) 5.940 8.247 ( 0.988 -2.457 -1.628) 3.109 8.484 ( -6.122 7.748 2.029) 10.081 8.615 ( -1.589 -3.750 -0.418) 4.094 8.774 ( -0.105 5.571 -0.624) 5.607 8.896 ( -1.395 -6.081 2.934) 6.894 9.401 ( 3.570 4.250 -6.172) 8.301 9.482 ( 2.631 -3.278 -4.711) 6.314 12.121 ( 1.110 2.657 -1.315) 3.166 12.171 ( 0.423 -1.609 0.441) 1.721 12.211 ( -0.428 2.751 -2.189) 3.542 12.298 ( 1.358 -5.507 -6.086) 8.319 12.991 ( 0.303 4.895 2.471) 5.492 13.093 ( -0.426 -4.332 1.889) 4.745 13.488 ( -2.221 6.903 -6.394) 9.668 13.693 ( 0.145 -12.250 -7.513) 14.371 14.548 ( -0.194 6.785 13.340) 14.968 14.646 ( -1.287 -2.084 11.971) 12.219 15.765 ( -0.804 9.819 -1.836) 10.022 15.950 ( 0.815 -7.316 -4.810) 8.793 ======================= Grid point 113 (63/104) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -4.912 15.273 -1.635) 16.127 1.829 ( -3.610 13.603 7.394) 15.898 1.953 ( 1.222 -8.675 -3.256) 9.346 2.010 ( -1.857 -0.644 -0.809) 2.125 2.080 ( 5.087 -1.232 -2.570) 5.831 2.188 ( 3.654 -8.695 4.017) 10.251 2.395 ( -0.619 0.723 5.572) 5.653 2.437 ( 1.773 -1.666 4.174) 4.832 2.706 ( -0.434 1.393 -4.334) 4.573 2.770 ( -1.602 -5.463 -3.025) 6.447 2.916 ( 1.177 12.303 -2.962) 12.709 3.136 ( -2.227 -4.812 0.223) 5.307 3.337 ( 1.787 -0.500 -0.640) 1.963 3.360 ( 0.171 -5.622 -6.138) 8.325 3.526 ( -7.474 12.916 8.280) 17.066 3.716 ( -1.583 1.426 5.166) 5.588 3.723 ( 2.846 4.131 -4.766) 6.920 3.821 ( -5.681 -7.667 -3.240) 10.078 4.030 ( 3.367 4.284 3.709) 6.591 4.122 ( 0.616 -5.018 0.161) 5.059 4.401 ( -0.100 6.021 6.844) 9.116 4.597 ( -1.745 -11.107 10.327) 15.266 4.907 ( -1.612 3.145 1.914) 4.019 4.988 ( -1.154 -3.734 1.959) 4.372 5.379 ( 4.513 4.584 -1.186) 6.541 5.435 ( 2.259 -1.339 -0.686) 2.714 5.747 ( -0.492 2.475 -5.101) 5.691 5.860 ( 2.408 -7.042 -6.809) 10.088 6.271 ( -4.415 1.707 2.723) 5.461 6.332 ( -4.060 -3.463 2.263) 5.797 6.427 ( 1.407 2.406 0.197) 2.794 6.498 ( 1.187 -3.874 1.470) 4.310 6.761 ( -0.405 3.096 0.912) 3.253 6.797 ( 0.941 0.595 1.319) 1.727 6.987 ( -2.516 -3.484 4.328) 6.099 6.999 ( 0.218 -3.098 2.883) 4.238 7.597 ( -1.982 2.049 0.639) 2.921 7.621 ( -0.930 -0.708 1.572) 1.959 7.948 ( 7.776 3.889 -4.040) 9.587 8.024 ( 6.450 -2.665 -4.516) 8.313 8.239 ( 4.064 2.847 -1.928) 5.323 8.259 ( -0.651 5.067 2.188) 5.558 8.361 ( -3.712 4.879 -3.458) 7.039 8.553 ( -4.118 -8.154 0.286) 9.139 8.755 ( -1.643 4.399 0.012) 4.696 8.852 ( -3.200 -5.095 1.534) 6.209 9.451 ( 2.896 2.934 -5.964) 7.250 9.505 ( 1.090 -2.163 -4.796) 5.373 12.133 ( 0.219 2.277 -0.934) 2.471 12.163 ( -0.993 -0.297 0.348) 1.093 12.206 ( 0.707 2.634 -2.396) 3.631 12.314 ( 2.309 -6.927 -7.157) 10.224 13.028 ( 1.955 3.402 4.294) 5.816 13.107 ( 0.817 -3.865 3.241) 5.110 13.420 ( -1.700 8.761 -6.923) 11.295 13.644 ( -1.513 -11.950 -9.326) 15.233 14.607 ( 0.713 5.825 13.043) 14.303 14.684 ( 0.486 -1.173 12.031) 12.098 15.730 ( -1.641 10.502 -1.938) 10.805 15.932 ( -0.724 -8.213 -4.682) 9.482 ======================= Grid point 114 (64/104) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -3.011 17.854 0.570) 18.115 1.764 ( -3.729 12.804 6.725) 14.935 1.918 ( -2.036 -10.629 -1.155) 10.884 1.988 ( -0.070 -6.573 0.386) 6.585 2.231 ( 6.160 0.419 -3.113) 6.915 2.278 ( 5.000 -2.948 -0.871) 5.870 2.464 ( 4.295 2.783 8.451) 9.880 2.516 ( 3.402 -1.919 5.715) 6.922 2.707 ( 1.279 -0.715 -0.528) 1.557 2.745 ( 0.991 -3.878 -3.212) 5.133 2.918 ( 0.320 9.544 -4.703) 10.644 3.093 ( -1.746 -3.438 -0.780) 3.934 3.248 ( -8.513 4.870 -0.649) 9.829 3.269 ( -5.135 -1.222 -6.788) 8.599 3.467 ( -1.226 7.619 3.788) 8.596 3.637 ( -7.087 1.875 -1.877) 7.567 3.679 ( -1.915 -0.567 -5.094) 5.471 3.783 ( -0.899 -10.024 8.795) 13.366 4.125 ( 4.414 3.423 0.641) 5.622 4.197 ( 5.113 -2.538 0.917) 5.782 4.400 ( -1.793 6.672 6.687) 9.615 4.599 ( -1.400 -10.935 7.634) 13.410 4.891 ( -0.401 2.720 3.481) 4.436 4.977 ( -0.911 -5.065 3.085) 6.000 5.451 ( 2.012 2.364 0.630) 3.167 5.476 ( 1.684 -1.009 0.056) 1.964 5.709 ( -0.746 6.472 -6.876) 9.472 5.885 ( 2.044 -8.328 -9.023) 12.448 6.178 ( -5.246 1.547 4.395) 7.017 6.234 ( -6.408 -3.387 4.916) 8.757 6.476 ( 3.708 2.179 -1.213) 4.469 6.530 ( 2.154 -2.980 -0.889) 3.783 6.781 ( 1.440 3.110 1.173) 3.623 6.837 ( 2.755 0.471 -0.427) 2.828 6.962 ( -1.795 -2.471 3.383) 4.558 7.019 ( 1.789 -4.510 -0.315) 4.862 7.546 ( -2.954 4.968 3.071) 6.545 7.630 ( 0.036 -2.454 4.157) 4.828 8.043 ( 0.821 3.339 -1.212) 3.645 8.076 ( -1.873 1.713 -0.767) 2.652 8.205 ( -0.382 9.706 1.148) 9.781 8.356 ( 6.691 1.627 -4.620) 8.292 8.361 ( 3.009 -1.609 -4.776) 5.870 8.470 ( -2.886 -9.409 -0.093) 9.842 8.717 ( -1.597 2.953 1.864) 3.840 8.796 ( -2.403 -3.888 1.339) 4.763 9.461 ( 0.174 1.604 -6.853) 7.041 9.492 ( -0.393 -1.246 -5.148) 5.312 12.123 ( -0.805 1.258 -0.226) 1.510 12.141 ( -1.168 -0.529 0.626) 1.427 12.221 ( 1.707 3.617 -3.988) 5.648 12.332 ( 1.774 -6.528 -7.561) 10.146 13.084 ( 0.712 2.256 5.989) 6.440 13.148 ( 1.927 -3.319 3.832) 5.423 13.382 ( 0.963 8.230 -7.180) 10.965 13.579 ( -0.960 -9.870 -9.964) 14.058 14.654 ( -0.852 6.301 12.272) 13.822 14.739 ( 0.345 -1.552 11.142) 11.255 15.696 ( -0.613 10.098 -1.842) 10.283 15.895 ( -0.997 -8.348 -4.216) 9.405 ======================= Grid point 133 (65/104) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -12.133 0.000 18.008) 21.714 1.377 ( -3.300 0.000 18.594) 18.884 1.749 ( 9.536 0.000 -8.593) 12.836 1.811 ( 1.585 0.000 -4.027) 4.328 2.302 ( -3.595 0.000 23.740) 24.011 2.313 ( -5.007 0.000 -1.855) 5.340 2.398 ( 8.008 0.000 -1.711) 8.189 2.760 ( 11.411 0.000 1.908) 11.569 2.772 ( 0.936 0.000 5.040) 5.126 2.876 ( -7.418 0.000 2.694) 7.892 2.929 ( 3.362 0.000 -3.095) 4.570 3.040 ( -0.703 0.000 -2.824) 2.910 3.094 ( -1.977 0.000 -3.353) 3.892 3.259 ( 0.490 0.000 -3.501) 3.535 3.486 ( -10.805 0.000 -1.280) 10.880 3.559 ( -7.266 0.000 6.377) 9.667 3.782 ( 12.005 0.000 -1.596) 12.111 3.782 ( -0.834 0.000 1.403) 1.632 4.077 ( 0.623 0.000 -10.712) 10.730 4.153 ( -0.035 0.000 -0.002) 0.035 4.284 ( -1.945 0.000 -3.857) 4.320 4.467 ( 3.774 0.000 -7.225) 8.151 5.369 ( 6.981 0.000 0.992) 7.051 5.404 ( -4.927 0.000 -0.706) 4.977 5.459 ( -6.147 0.000 11.571) 13.102 5.593 ( 7.966 0.000 4.944) 9.376 5.755 ( -1.325 0.000 -3.373) 3.624 5.960 ( 5.001 0.000 -11.587) 12.620 6.274 ( -1.379 0.000 5.203) 5.383 6.393 ( -10.474 0.000 6.856) 12.518 6.446 ( 6.585 0.000 -2.640) 7.095 6.551 ( 3.418 0.000 -3.017) 4.559 6.757 ( -9.128 0.000 3.392) 9.738 6.833 ( 4.486 0.000 -0.617) 4.528 7.134 ( -1.429 0.000 -0.718) 1.599 7.179 ( 0.649 0.000 -2.859) 2.932 7.235 ( -5.918 0.000 -0.610) 5.949 7.240 ( 7.442 0.000 0.421) 7.453 7.626 ( -3.313 0.000 13.651) 14.048 7.996 ( 0.217 0.000 -2.045) 2.056 8.221 ( -0.983 0.000 -2.899) 3.061 8.290 ( 3.858 0.000 -6.004) 7.136 8.397 ( -2.554 0.000 -1.425) 2.925 8.442 ( 4.703 0.000 -1.862) 5.058 8.998 ( -14.581 0.000 4.530) 15.268 9.048 ( 4.859 0.000 7.171) 8.663 9.170 ( 6.775 0.000 -4.136) 7.938 9.320 ( -4.421 0.000 -6.246) 7.652 12.142 ( -1.342 0.000 5.876) 6.027 12.173 ( -0.140 0.000 1.372) 1.379 12.192 ( -0.177 0.000 0.379) 0.419 12.422 ( -1.629 0.000 -8.724) 8.875 13.004 ( 4.492 0.000 1.835) 4.853 13.216 ( -10.366 0.000 -8.091) 13.150 13.580 ( -4.897 0.000 5.155) 7.110 13.669 ( 12.245 0.000 0.363) 12.251 14.452 ( 0.297 0.000 2.095) 2.116 14.567 ( 1.282 0.000 -4.227) 4.417 15.487 ( 0.086 0.000 14.038) 14.038 15.943 ( 0.555 0.000 -9.531) 9.547 ======================= Grid point 134 (66/104) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -2.962 0.000 15.811) 16.086 1.442 ( 3.355 0.000 16.080) 16.426 1.803 ( -0.803 0.000 -3.952) 4.033 1.882 ( 4.279 0.000 -5.563) 7.018 2.261 ( 1.743 0.000 -6.218) 6.458 2.387 ( -0.526 0.000 20.381) 20.388 2.516 ( 3.244 0.000 -2.260) 3.953 2.718 ( -5.384 0.000 4.424) 6.969 2.749 ( -12.692 0.000 -1.609) 12.794 2.822 ( 4.270 0.000 1.854) 4.655 2.960 ( -3.498 0.000 -8.269) 8.979 3.009 ( 7.834 0.000 2.283) 8.160 3.197 ( -7.713 0.000 -4.470) 8.915 3.216 ( 8.039 0.000 2.546) 8.433 3.385 ( 2.268 0.000 6.003) 6.417 3.472 ( -0.929 0.000 3.298) 3.426 3.793 ( -1.277 0.000 8.529) 8.624 4.006 ( 9.126 0.000 -2.204) 9.389 4.049 ( 1.575 0.000 -13.406) 13.498 4.113 ( -3.394 0.000 -0.158) 3.397 4.200 ( -4.201 0.000 -5.437) 6.871 4.494 ( 1.376 0.000 -8.419) 8.530 5.247 ( -7.435 0.000 -3.665) 8.289 5.290 ( -8.050 0.000 3.006) 8.593 5.378 ( -5.989 0.000 13.526) 14.793 5.745 ( 0.545 0.000 -2.581) 2.638 5.894 ( 8.817 0.000 -0.441) 8.828 6.036 ( 5.880 0.000 -11.974) 13.340 6.243 ( 0.471 0.000 2.136) 2.187 6.353 ( 5.687 0.000 5.740) 8.080 6.502 ( 1.521 0.000 -5.659) 5.860 6.618 ( -5.638 0.000 3.676) 6.730 6.671 ( 5.925 0.000 0.788) 5.977 6.912 ( 1.713 0.000 3.771) 4.142 7.026 ( -7.937 0.000 -0.456) 7.950 7.079 ( -2.622 0.000 1.071) 2.832 7.297 ( 6.726 0.000 -3.713) 7.683 7.454 ( 11.370 0.000 -0.882) 11.404 7.632 ( -0.641 0.000 12.080) 12.097 8.007 ( 1.474 0.000 -1.596) 2.172 8.158 ( -3.731 0.000 -2.010) 4.238 8.274 ( -4.372 0.000 -4.152) 6.030 8.338 ( -1.458 0.000 -5.274) 5.472 8.478 ( -1.737 0.000 -1.564) 2.338 8.713 ( -11.501 0.000 9.420) 14.866 9.132 ( -5.756 0.000 -7.052) 9.103 9.182 ( 4.419 0.000 7.315) 8.546 9.361 ( 7.055 0.000 -2.282) 7.415 12.142 ( -0.794 0.000 6.668) 6.715 12.173 ( -0.386 0.000 1.582) 1.628 12.199 ( 0.606 0.000 0.335) 0.692 12.390 ( 1.234 0.000 -5.293) 5.435 13.004 ( -7.085 0.000 -5.377) 8.894 13.059 ( -0.843 0.000 2.868) 2.990 13.531 ( -0.616 0.000 3.467) 3.521 13.908 ( 10.511 0.000 -2.976) 10.924 14.472 ( 0.746 0.000 2.111) 2.239 14.537 ( -2.264 0.000 -6.043) 6.454 15.542 ( -0.034 0.000 12.743) 12.743 15.927 ( 1.438 0.000 -9.781) 9.887 ======================= Grid point 135 (67/104) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 10.291 0.000 11.757) 15.625 1.605 ( 6.738 0.000 9.779) 11.875 1.765 ( -1.686 0.000 -0.288) 1.711 1.923 ( 2.171 0.000 0.125) 2.174 2.250 ( -1.185 0.000 -14.208) 14.257 2.263 ( -12.098 0.000 2.510) 12.355 2.440 ( -16.135 0.000 1.791) 16.234 2.530 ( 0.110 0.000 -5.480) 5.481 2.798 ( 4.183 0.000 16.319) 16.847 2.903 ( 0.890 0.000 -3.767) 3.871 2.946 ( 5.488 0.000 -2.279) 5.942 3.043 ( -3.631 0.000 1.337) 3.870 3.060 ( -1.699 0.000 6.474) 6.693 3.433 ( 11.176 0.000 3.958) 11.856 3.482 ( 3.069 0.000 5.766) 6.532 3.558 ( 6.673 0.000 1.502) 6.840 3.747 ( -6.129 0.000 8.948) 10.846 3.962 ( -8.824 0.000 6.047) 10.697 4.048 ( 2.178 0.000 -13.885) 14.055 4.092 ( -3.532 0.000 -6.317) 7.237 4.177 ( 6.334 0.000 -8.739) 10.793 4.469 ( -0.033 0.000 -10.249) 10.249 5.126 ( -1.931 0.000 -5.267) 5.610 5.133 ( -7.944 0.000 2.709) 8.393 5.333 ( -3.021 0.000 15.788) 16.075 5.751 ( 0.894 0.000 -1.222) 1.514 5.886 ( -5.502 0.000 5.781) 7.981 6.097 ( 4.090 0.000 -13.438) 14.047 6.320 ( 3.381 0.000 1.886) 3.871 6.491 ( -1.145 0.000 -3.145) 3.347 6.530 ( -1.188 0.000 2.865) 3.101 6.646 ( 15.997 0.000 -3.341) 16.342 6.722 ( -1.638 0.000 -0.877) 1.858 6.898 ( -5.354 0.000 2.820) 6.051 6.928 ( -0.253 0.000 5.134) 5.140 7.040 ( -1.575 0.000 1.484) 2.164 7.450 ( 8.422 0.000 -3.278) 9.037 7.633 ( 3.215 0.000 4.659) 5.661 7.715 ( 7.097 0.000 0.312) 7.104 8.041 ( 1.728 0.000 -1.165) 2.084 8.084 ( -11.603 0.000 4.315) 12.379 8.086 ( -1.361 0.000 -3.482) 3.738 8.303 ( 0.148 0.000 -6.549) 6.551 8.362 ( -7.691 0.000 -0.748) 7.728 8.628 ( -1.582 0.000 6.334) 6.529 9.004 ( -3.014 0.000 -8.896) 9.392 9.285 ( 3.021 0.000 7.189) 7.798 9.478 ( 4.475 0.000 -1.692) 4.784 12.154 ( -0.662 0.000 7.588) 7.617 12.169 ( -0.645 0.000 2.116) 2.213 12.214 ( 0.690 0.000 -0.081) 0.695 12.434 ( 4.421 0.000 -4.723) 6.469 12.885 ( -2.615 0.000 -4.847) 5.507 12.997 ( -4.611 0.000 -0.073) 4.612 13.575 ( 2.382 0.000 6.204) 6.646 14.072 ( 6.557 0.000 -6.491) 9.227 14.448 ( -3.977 0.000 -3.165) 5.082 14.491 ( 0.331 0.000 1.132) 1.180 15.563 ( -2.458 0.000 12.451) 12.691 15.934 ( 2.473 0.000 -9.388) 9.708 ======================= Grid point 136 (68/104) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 7.704 0.000 11.360) 13.726 1.715 ( -1.081 0.000 4.129) 4.268 1.761 ( 2.908 0.000 2.800) 4.037 1.934 ( -5.269 0.000 -2.855) 5.992 2.020 ( -9.896 0.000 -0.056) 9.896 2.174 ( -0.152 0.000 1.696) 1.703 2.194 ( -1.643 0.000 -6.076) 6.294 2.515 ( 1.155 0.000 -9.025) 9.099 2.837 ( -1.923 0.000 8.494) 8.709 2.913 ( -2.071 0.000 -0.025) 2.072 2.975 ( -0.602 0.000 -0.788) 0.992 3.006 ( 0.200 0.000 -0.304) 0.364 3.189 ( 3.507 0.000 19.010) 19.331 3.509 ( -1.630 0.000 5.593) 5.825 3.551 ( -6.260 0.000 5.551) 8.367 3.680 ( 1.656 0.000 7.335) 7.520 3.747 ( 10.855 0.000 -2.645) 11.173 3.843 ( -2.283 0.000 2.372) 3.292 4.012 ( -0.981 0.000 -11.837) 11.877 4.027 ( -0.468 0.000 -7.298) 7.313 4.230 ( 1.999 0.000 -6.168) 6.483 4.436 ( 0.652 0.000 -11.962) 11.979 4.992 ( -6.168 0.000 2.655) 6.715 5.137 ( 4.450 0.000 -4.628) 6.420 5.367 ( 0.363 0.000 16.119) 16.123 5.780 ( 2.232 0.000 -0.726) 2.347 5.791 ( -5.346 0.000 5.932) 7.985 6.099 ( 0.868 0.000 -13.580) 13.608 6.368 ( -0.049 0.000 3.773) 3.773 6.427 ( -4.528 0.000 -0.207) 4.533 6.528 ( 0.711 0.000 4.222) 4.281 6.645 ( -4.404 0.000 0.465) 4.428 6.793 ( -4.756 0.000 0.587) 4.792 6.947 ( 11.314 0.000 -5.448) 12.557 6.972 ( 2.648 0.000 2.436) 3.598 7.031 ( 1.674 0.000 0.929) 1.915 7.573 ( 3.210 0.000 -1.271) 3.452 7.609 ( -8.672 0.000 0.964) 8.726 7.809 ( 2.024 0.000 3.110) 3.711 7.996 ( 3.296 0.000 2.803) 4.326 8.035 ( -0.252 0.000 -3.548) 3.557 8.110 ( 3.222 0.000 -2.513) 4.086 8.180 ( -8.785 0.000 1.207) 8.868 8.305 ( 2.331 0.000 -4.977) 5.496 8.650 ( 1.736 0.000 4.269) 4.609 8.956 ( 1.526 0.000 -9.981) 10.097 9.355 ( 1.233 0.000 5.998) 6.124 9.529 ( 1.195 0.000 -2.642) 2.900 12.163 ( -0.720 0.000 2.756) 2.848 12.166 ( -0.968 0.000 7.508) 7.570 12.223 ( 0.209 0.000 -0.327) 0.388 12.515 ( 4.884 0.000 -8.096) 9.455 12.868 ( 2.585 0.000 -1.816) 3.159 12.906 ( -3.145 0.000 -2.578) 4.066 13.645 ( 1.311 0.000 9.144) 9.238 14.090 ( -2.084 0.000 -14.289) 14.441 14.400 ( -0.004 0.000 4.603) 4.603 14.489 ( -0.738 0.000 0.052) 0.739 15.536 ( -4.344 0.000 12.895) 13.607 15.956 ( 2.624 0.000 -8.787) 9.170 ======================= Grid point 137 (69/104) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -7.860 0.000 17.485) 19.170 1.574 ( -10.277 0.000 5.445) 11.630 1.762 ( -7.299 0.000 -6.104) 9.515 1.805 ( -2.031 0.000 -3.464) 4.016 2.035 ( 10.413 0.000 2.453) 10.698 2.212 ( 6.319 0.000 2.093) 6.656 2.375 ( 11.658 0.000 -0.208) 11.659 2.519 ( 1.328 0.000 -4.382) 4.579 2.800 ( -8.629 0.000 0.922) 8.678 2.827 ( -5.115 0.000 0.426) 5.133 2.912 ( -4.732 0.000 17.620) 18.245 2.989 ( 1.165 0.000 -0.196) 1.181 3.310 ( 4.331 0.000 9.463) 10.407 3.392 ( -7.345 0.000 -2.357) 7.714 3.489 ( -2.466 0.000 1.866) 3.092 3.718 ( -2.075 0.000 9.306) 9.535 3.868 ( 0.003 0.000 -3.209) 3.209 3.927 ( -0.860 0.000 -2.135) 2.302 3.963 ( 7.443 0.000 -11.000) 13.282 4.004 ( 2.992 0.000 -6.220) 6.902 4.259 ( 2.535 0.000 -1.348) 2.871 4.407 ( 1.006 0.000 -11.825) 11.868 4.927 ( -0.223 0.000 4.684) 4.690 5.256 ( 7.733 0.000 -3.215) 8.375 5.443 ( 1.139 0.000 14.352) 14.398 5.706 ( -5.000 0.000 5.313) 7.296 5.827 ( 2.255 0.000 -1.692) 2.819 6.043 ( -2.091 0.000 -10.219) 10.431 6.318 ( -4.540 0.000 0.219) 4.546 6.349 ( -2.862 0.000 5.022) 5.780 6.571 ( -2.435 0.000 -0.659) 2.522 6.574 ( 1.104 0.000 5.138) 5.255 6.735 ( -0.126 0.000 -3.433) 3.436 6.997 ( 0.109 0.000 0.357) 0.373 7.042 ( 3.479 0.000 0.294) 3.491 7.152 ( 3.712 0.000 -5.021) 6.244 7.362 ( -12.433 0.000 1.566) 12.532 7.557 ( -4.260 0.000 -0.233) 4.266 7.813 ( -7.026 0.000 9.249) 11.615 8.022 ( 0.085 0.000 -3.726) 3.727 8.044 ( 3.976 0.000 -1.286) 4.178 8.172 ( 3.419 0.000 -2.650) 4.325 8.176 ( 7.430 0.000 -2.397) 7.807 8.361 ( 3.908 0.000 -2.194) 4.482 8.734 ( 4.885 0.000 4.549) 6.675 8.980 ( 3.847 0.000 -9.520) 10.268 9.365 ( -2.412 0.000 3.792) 4.494 9.512 ( -1.598 0.000 -3.996) 4.304 12.160 ( -0.693 0.000 3.184) 3.259 12.168 ( -1.109 0.000 6.198) 6.296 12.218 ( -0.544 0.000 -0.221) 0.587 12.546 ( 1.495 0.000 -12.562) 12.650 12.865 ( 0.410 0.000 -2.852) 2.882 13.001 ( 10.318 0.000 1.069) 10.373 13.682 ( -1.342 0.000 10.176) 10.264 13.907 ( -9.801 0.000 -13.555) 16.727 14.454 ( 2.647 0.000 4.479) 5.202 14.466 ( -1.169 0.000 -0.172) 1.182 15.488 ( -4.552 0.000 13.584) 14.326 15.971 ( 1.765 0.000 -8.551) 8.732 ======================= Grid point 138 (70/104) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -10.828 0.000 18.897) 21.779 1.430 ( -7.036 0.000 13.955) 15.628 1.651 ( 0.930 0.000 -8.136) 8.189 1.786 ( 1.106 0.000 -2.148) 2.416 2.233 ( 8.446 0.000 -2.628) 8.845 2.364 ( 4.078 0.000 1.575) 4.372 2.419 ( -12.806 0.000 16.373) 20.786 2.570 ( 6.634 0.000 -2.832) 7.213 2.707 ( 2.759 0.000 2.278) 3.578 2.781 ( 3.727 0.000 3.678) 5.237 2.937 ( -1.297 0.000 11.348) 11.422 3.023 ( 2.090 0.000 -0.795) 2.236 3.240 ( -6.269 0.000 -7.250) 9.584 3.324 ( -4.369 0.000 -3.023) 5.313 3.550 ( 9.015 0.000 1.896) 9.212 3.668 ( -5.492 0.000 8.949) 10.499 3.722 ( -9.469 0.000 -5.966) 11.192 3.842 ( -3.932 0.000 -3.562) 5.305 4.071 ( 4.222 0.000 -9.570) 10.460 4.110 ( 4.751 0.000 -1.476) 4.975 4.301 ( 1.322 0.000 -1.970) 2.372 4.413 ( 3.361 0.000 -8.391) 9.039 5.065 ( 12.088 0.000 6.215) 13.593 5.396 ( 5.383 0.000 -1.663) 5.634 5.494 ( -1.443 0.000 12.862) 12.942 5.618 ( -5.164 0.000 4.621) 6.929 5.831 ( -2.746 0.000 -0.285) 2.761 5.947 ( -1.130 0.000 -11.655) 11.710 6.302 ( -3.136 0.000 5.444) 6.283 6.314 ( 4.541 0.000 -0.949) 4.639 6.538 ( -0.065 0.000 -3.636) 3.637 6.559 ( -5.612 0.000 5.812) 8.079 6.757 ( 3.199 0.000 -3.313) 4.605 6.969 ( -9.760 0.000 1.858) 9.936 7.069 ( 1.319 0.000 -1.750) 2.191 7.116 ( 3.775 0.000 -1.308) 3.995 7.240 ( -2.487 0.000 -1.295) 2.804 7.418 ( -8.477 0.000 -0.420) 8.488 7.682 ( -7.144 0.000 13.045) 14.873 8.007 ( -0.244 0.000 -2.923) 2.933 8.180 ( 7.795 0.000 -3.693) 8.626 8.220 ( 1.946 0.000 -3.080) 3.643 8.325 ( 7.298 0.000 -3.640) 8.156 8.419 ( 1.201 0.000 -0.071) 1.203 8.880 ( 7.053 0.000 5.711) 9.075 9.047 ( 5.938 0.000 -7.426) 9.508 9.260 ( -9.260 0.000 2.314) 9.545 9.437 ( -3.963 0.000 -5.238) 6.568 12.152 ( -1.503 0.000 5.428) 5.632 12.170 ( -0.227 0.000 2.381) 2.392 12.203 ( -0.812 0.000 0.087) 0.817 12.498 ( -1.367 0.000 -12.354) 12.430 12.905 ( 4.009 0.000 -1.008) 4.133 13.260 ( 12.668 0.000 -4.621) 13.485 13.627 ( -11.593 0.000 -4.755) 12.530 13.658 ( -4.287 0.000 8.558) 9.572 14.448 ( -0.534 0.000 0.897) 1.044 14.524 ( 3.047 0.000 0.534) 3.094 15.460 ( -2.668 0.000 14.349) 14.595 15.965 ( 0.732 0.000 -8.901) 8.931 ======================= Grid point 139 (71/104) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -7.918 6.198 16.218) 19.082 1.392 ( -3.366 4.485 19.786) 20.566 1.783 ( 8.478 4.320 -8.568) 12.805 1.916 ( 0.798 7.146 -5.971) 9.347 2.282 ( -4.440 -1.732 -1.383) 4.963 2.354 ( 6.121 -2.444 -5.409) 8.526 2.511 ( -2.468 14.382 18.986) 23.945 2.714 ( 6.649 -2.617 7.062) 10.046 2.770 ( 2.534 -0.144 3.224) 4.104 2.828 ( -1.162 -3.089 2.452) 4.111 2.935 ( -3.989 -1.548 -2.237) 4.828 3.010 ( 3.506 -2.286 5.231) 6.699 3.071 ( -1.526 -1.147 -7.396) 7.639 3.228 ( -3.900 -3.209 -7.046) 8.669 3.471 ( -8.096 -4.819 3.594) 10.083 3.537 ( -4.987 2.521 0.298) 5.596 3.608 ( 4.968 -9.151 0.495) 10.424 3.903 ( 4.139 4.236 -5.038) 7.775 4.084 ( 1.733 0.983 -5.436) 5.790 4.213 ( 0.877 3.653 -1.873) 4.198 4.288 ( -1.389 2.033 1.349) 2.808 4.564 ( 1.410 7.021 -8.148) 10.848 5.264 ( 8.866 -8.077 3.780) 12.575 5.374 ( -5.279 -2.891 -1.804) 6.283 5.437 ( -4.004 -2.732 11.167) 12.173 5.524 ( -0.871 -4.217 5.844) 7.259 5.719 ( 1.482 -3.383 -2.662) 4.552 5.933 ( 3.531 -2.582 -11.067) 11.900 6.260 ( -0.589 -1.436 4.509) 4.769 6.333 ( -7.502 -3.425 4.483) 9.386 6.480 ( 5.721 2.240 -1.201) 6.260 6.572 ( 2.569 1.492 -2.193) 3.692 6.790 ( 0.544 0.800 1.844) 2.083 6.884 ( -1.961 -0.692 -2.645) 3.365 7.062 ( -6.905 -1.365 1.242) 7.148 7.154 ( 6.177 0.177 -3.355) 7.031 7.286 ( 1.054 4.699 2.425) 5.392 7.398 ( -2.578 10.962 -1.699) 11.388 7.671 ( -2.804 3.934 11.324) 12.311 8.013 ( 0.393 1.318 -0.569) 1.488 8.203 ( -0.299 -1.448 -2.809) 3.174 8.238 ( 2.547 -2.618 -6.330) 7.308 8.417 ( 2.782 0.557 -1.384) 3.157 8.470 ( 0.187 1.550 -2.990) 3.373 8.931 ( -5.853 -4.462 6.266) 9.666 9.012 ( -0.515 -2.761 6.500) 7.081 9.214 ( 3.295 2.283 -4.910) 6.339 9.338 ( -3.101 1.276 -6.563) 7.370 12.122 ( -1.073 -1.555 4.694) 5.060 12.175 ( -0.074 0.143 1.126) 1.138 12.185 ( -0.149 -0.698 0.547) 0.899 12.379 ( -0.815 -3.556 -8.270) 9.039 13.031 ( 1.956 2.340 1.354) 3.337 13.171 ( -6.568 -2.728 -3.455) 7.907 13.571 ( -0.183 -2.078 -0.806) 2.237 13.627 ( 7.471 -3.703 0.162) 8.340 14.490 ( -2.128 5.232 5.956) 8.208 14.677 ( 1.460 7.730 -3.760) 8.719 15.516 ( 0.320 2.567 11.776) 12.057 15.932 ( 0.394 -1.206 -9.083) 9.172 ======================= Grid point 140 (72/104) ======================= q-point: ( 0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -3.233 10.595 13.601) 17.542 1.468 ( 3.516 2.974 17.101) 17.711 1.872 ( -0.577 5.824 -6.328) 8.620 1.917 ( 3.601 3.088 -5.364) 7.160 2.243 ( 1.704 -1.308 -4.658) 5.129 2.446 ( 2.749 -4.774 -3.301) 6.422 2.556 ( -4.632 12.013 12.179) 17.722 2.708 ( -2.737 -0.966 5.322) 6.062 2.730 ( -9.497 -0.915 -0.083) 9.541 2.809 ( 3.433 -1.684 2.434) 4.533 2.927 ( -1.328 -3.785 -0.393) 4.031 2.980 ( 0.852 0.125 -1.801) 1.996 3.158 ( 5.967 -4.536 -1.543) 7.653 3.207 ( 0.680 0.280 -1.408) 1.588 3.376 ( 0.218 -3.936 7.072) 8.097 3.488 ( 0.683 4.342 1.190) 4.553 3.672 ( -0.174 -8.542 6.589) 10.789 3.992 ( 5.286 -0.516 -10.955) 12.175 4.109 ( 3.212 1.437 -5.606) 6.619 4.185 ( -2.172 4.419 -3.134) 5.837 4.241 ( -4.056 5.947 3.265) 7.904 4.542 ( -0.550 3.923 -8.217) 9.122 5.230 ( -6.275 -1.275 -2.998) 7.070 5.284 ( -6.188 -1.161 3.032) 6.988 5.361 ( -4.675 -1.481 10.921) 11.972 5.619 ( 2.728 -10.676 3.970) 11.712 5.799 ( 5.862 -6.125 -1.811) 8.669 5.978 ( 3.710 -4.602 -9.497) 11.186 6.249 ( 0.717 -0.354 0.513) 0.950 6.305 ( 3.369 -3.268 5.328) 7.101 6.512 ( 0.397 0.588 -3.935) 3.998 6.669 ( 1.046 4.774 1.211) 5.035 6.759 ( -0.065 1.968 -1.074) 2.243 6.869 ( -0.952 -4.392 0.498) 4.522 6.955 ( -2.915 0.380 2.337) 3.755 7.261 ( -2.523 11.459 0.729) 11.756 7.296 ( 6.938 1.279 -2.038) 7.343 7.448 ( 6.224 -1.121 2.280) 6.723 7.682 ( 0.708 4.362 6.544) 7.897 8.021 ( 0.583 0.744 -0.156) 0.958 8.104 ( -6.782 -3.278 -0.736) 7.569 8.257 ( 1.250 -0.160 -7.810) 7.911 8.407 ( -1.660 3.464 -5.099) 6.384 8.483 ( -1.147 0.491 -0.653) 1.408 8.724 ( -9.796 1.135 9.529) 13.713 9.125 ( 4.401 -3.740 5.212) 7.779 9.153 ( -4.728 1.118 -5.295) 7.186 9.375 ( 5.721 0.493 -2.963) 6.461 12.122 ( -0.696 -1.619 5.186) 5.477 12.174 ( -0.197 0.132 1.269) 1.291 12.196 ( 0.691 -0.381 0.635) 1.013 12.355 ( 1.207 -3.038 -5.858) 6.709 12.957 ( -6.041 -1.115 -0.216) 6.147 13.125 ( -0.435 3.075 -0.647) 3.172 13.518 ( -1.290 -1.264 0.451) 1.861 13.846 ( 10.646 -6.167 -4.905) 13.245 14.459 ( -2.742 3.121 5.317) 6.748 14.669 ( -0.875 8.007 -2.652) 8.480 15.568 ( 0.198 2.282 10.637) 10.880 15.918 ( 1.569 -1.000 -9.246) 9.431 ======================= Grid point 141 (73/104) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 7.044 6.691 11.099) 14.751 1.623 ( 4.809 1.896 10.433) 11.643 1.814 ( -1.639 3.660 -1.669) 4.343 1.972 ( 2.681 4.883 -0.978) 5.656 2.240 ( -0.815 -0.755 -12.721) 12.770 2.334 ( -12.628 -2.982 1.492) 13.061 2.375 ( -9.782 4.188 1.027) 10.690 2.570 ( -3.202 2.403 -5.504) 6.806 2.785 ( -1.096 -3.267 4.525) 5.688 2.850 ( 1.603 -1.822 5.138) 5.683 2.940 ( 6.453 -2.034 0.113) 6.767 3.021 ( -0.266 -0.276 3.385) 3.407 3.154 ( 0.181 7.236 3.469) 8.027 3.340 ( 8.044 -4.698 2.420) 9.625 3.478 ( 4.974 -5.681 1.978) 7.806 3.585 ( 6.221 5.083 5.759) 9.884 3.648 ( -4.416 -6.690 8.555) 11.724 3.981 ( -4.018 -0.586 -4.527) 6.081 4.100 ( -1.542 2.365 -10.005) 10.396 4.152 ( -2.624 4.730 -3.990) 6.722 4.199 ( 2.856 3.777 -0.857) 4.812 4.503 ( 0.440 3.465 -8.874) 9.536 5.108 ( -5.256 -1.348 -0.787) 5.483 5.155 ( -4.606 1.571 -2.406) 5.429 5.333 ( -2.377 -0.408 15.119) 15.310 5.651 ( 0.275 -8.264 3.885) 9.136 5.834 ( -2.146 -4.950 1.229) 5.533 6.023 ( 4.298 -5.895 -11.002) 13.201 6.314 ( 3.594 -0.897 -0.423) 3.728 6.450 ( 4.897 -4.990 -0.157) 6.993 6.504 ( 1.905 -0.994 -0.289) 2.168 6.645 ( -0.281 4.842 1.299) 5.021 6.720 ( -3.887 -4.228 -0.763) 5.794 6.838 ( -3.016 -2.786 2.774) 4.955 6.979 ( 3.673 3.225 1.766) 5.197 7.193 ( -3.671 11.238 1.074) 11.871 7.446 ( 6.894 0.648 0.824) 6.973 7.594 ( 5.907 -4.211 1.561) 7.420 7.743 ( 3.550 1.759 -0.404) 3.982 7.965 ( -5.532 -3.464 -0.485) 6.545 8.032 ( 0.036 -1.933 -0.264) 1.951 8.201 ( -4.382 4.046 -4.140) 7.261 8.342 ( -1.777 4.375 -3.083) 5.640 8.416 ( -3.713 4.191 -1.054) 5.698 8.651 ( -1.516 2.139 6.855) 7.340 9.035 ( -2.480 2.637 -9.091) 9.785 9.240 ( 3.422 -3.781 7.254) 8.867 9.470 ( 3.931 -1.061 -2.431) 4.743 12.129 ( -0.583 -1.982 5.841) 6.196 12.174 ( -0.436 0.484 1.822) 1.935 12.212 ( 0.658 -0.236 0.338) 0.776 12.387 ( 3.552 -4.222 -5.782) 7.992 12.866 ( -2.265 0.400 -0.572) 2.370 13.072 ( -3.542 4.461 -2.822) 6.357 13.529 ( 0.953 -3.598 4.539) 5.870 13.998 ( 6.014 -7.743 -10.560) 14.409 14.426 ( -1.907 3.517 6.402) 7.549 14.634 ( -1.695 8.082 -0.264) 8.262 15.587 ( -2.139 2.232 10.605) 11.047 15.930 ( 2.721 -0.507 -9.145) 9.555 ======================= Grid point 142 (74/104) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 5.025 1.929 10.631) 11.915 1.660 ( -0.950 -1.834 6.758) 7.067 1.835 ( 0.945 3.241 -1.283) 3.612 1.977 ( -2.766 5.018 -3.154) 6.541 2.065 ( -10.181 2.945 1.496) 10.704 2.163 ( -2.377 -1.384 -2.520) 3.730 2.271 ( 2.832 7.400 -0.938) 7.979 2.525 ( 0.495 1.137 -8.688) 8.776 2.771 ( -0.062 -4.364 6.145) 7.537 2.869 ( -4.263 -7.465 1.987) 8.823 2.944 ( 0.304 0.908 -1.688) 1.940 3.100 ( 2.778 5.820 0.741) 6.491 3.269 ( 4.063 5.799 14.183) 15.852 3.430 ( -1.066 -3.377 2.614) 4.402 3.520 ( -6.757 -4.154 4.480) 9.109 3.607 ( 5.252 -7.707 0.524) 9.341 3.741 ( 4.214 4.376 7.542) 9.684 3.869 ( -2.872 -0.091 0.428) 2.906 4.024 ( -1.920 -0.078 -11.005) 11.172 4.102 ( -0.141 5.259 -6.549) 8.400 4.246 ( 2.166 1.940 -2.491) 3.829 4.501 ( 2.325 6.076 -10.330) 12.208 4.986 ( -5.876 -0.412 2.533) 6.412 5.130 ( 3.082 -0.610 -4.189) 5.236 5.366 ( -0.181 -0.714 15.502) 15.520 5.673 ( -0.218 -6.979 5.196) 8.703 5.787 ( -1.435 -2.677 -0.042) 3.038 6.046 ( 1.583 -5.030 -12.514) 13.579 6.362 ( -0.137 -0.713 2.251) 2.365 6.414 ( -3.868 -0.747 -0.189) 3.944 6.555 ( 0.920 1.654 2.936) 3.493 6.596 ( -5.195 -3.653 1.064) 6.440 6.765 ( 0.664 -3.785 1.285) 4.052 6.789 ( 3.785 -4.189 -0.451) 5.664 7.071 ( 2.045 2.409 1.920) 3.698 7.142 ( 1.219 7.956 -1.293) 8.152 7.538 ( -0.466 -0.261 1.048) 1.176 7.667 ( -0.452 0.709 1.428) 1.657 7.768 ( 0.767 -2.834 -1.826) 3.458 7.941 ( 4.253 -2.574 -0.067) 4.971 8.008 ( -1.502 -3.410 -3.460) 5.085 8.152 ( 0.070 5.160 -3.482) 6.225 8.229 ( -6.599 4.270 4.366) 8.992 8.404 ( 2.410 6.810 -4.040) 8.277 8.673 ( 1.383 1.961 4.511) 5.110 8.993 ( 1.562 3.141 -9.843) 10.450 9.316 ( 1.409 -3.403 6.097) 7.124 9.513 ( 1.181 -1.620 -3.478) 4.014 12.137 ( -0.801 -2.253 5.982) 6.442 12.170 ( -0.671 0.537 2.338) 2.491 12.222 ( 0.133 -0.160 -0.029) 0.211 12.442 ( 3.687 -6.042 -8.305) 10.912 12.870 ( 2.742 1.902 1.381) 3.611 12.989 ( -2.494 5.172 -4.961) 7.588 13.566 ( -0.086 -6.230 8.176) 10.280 13.994 ( -1.723 -8.607 -14.700) 17.121 14.448 ( 1.222 5.820 8.351) 10.252 14.603 ( -1.288 7.871 0.257) 7.980 15.561 ( -3.953 2.372 11.230) 12.139 15.956 ( 2.656 -0.292 -8.838) 9.233 ======================= Grid point 143 (75/104) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -8.355 -2.013 12.340) 15.038 1.653 ( -8.711 4.949 13.993) 17.210 1.750 ( -5.249 1.846 -6.956) 8.908 1.929 ( -0.191 6.911 -7.495) 10.197 2.046 ( 8.441 0.758 1.218) 8.562 2.214 ( 6.179 1.690 2.851) 7.011 2.420 ( 8.271 4.300 2.132) 9.563 2.535 ( 3.709 0.403 -5.862) 6.948 2.747 ( -5.913 -6.352 0.250) 8.682 2.817 ( 0.521 -2.100 7.414) 7.723 2.921 ( -4.761 2.737 -0.041) 5.492 3.081 ( -5.588 7.425 9.046) 12.969 3.285 ( -1.146 -1.128 5.672) 5.896 3.378 ( -5.154 -2.525 -1.684) 5.981 3.452 ( -0.049 -2.150 1.564) 2.659 3.688 ( 0.321 -4.025 2.537) 4.769 3.767 ( -2.428 -4.394 0.450) 5.040 3.932 ( 6.429 0.831 1.649) 6.689 3.954 ( -1.493 0.198 -8.535) 8.667 4.091 ( 1.887 4.224 -6.857) 8.272 4.283 ( 1.770 2.356 -0.529) 2.994 4.515 ( 2.805 8.590 -10.309) 13.709 4.924 ( -0.509 -0.260 4.614) 4.650 5.229 ( 6.676 -2.619 -1.176) 7.267 5.424 ( 0.576 -1.841 12.795) 12.940 5.655 ( -3.234 -4.184 5.238) 7.443 5.793 ( 1.221 -3.378 -1.228) 3.796 5.996 ( -2.021 -4.653 -11.162) 12.261 6.291 ( -4.217 -1.400 0.581) 4.481 6.368 ( -2.149 1.144 3.763) 4.482 6.512 ( -2.934 -4.249 -0.516) 5.189 6.600 ( 1.745 1.568 4.087) 4.712 6.736 ( -0.810 0.197 -1.035) 1.329 6.884 ( 2.164 -6.137 0.378) 6.519 7.059 ( -0.119 0.935 0.053) 0.944 7.235 ( 4.369 3.726 -1.640) 5.972 7.419 ( -9.186 2.639 0.166) 9.559 7.594 ( -4.648 4.920 -0.279) 6.775 7.854 ( 0.481 2.224 3.723) 4.363 7.919 ( -2.663 -4.775 0.984) 5.555 8.043 ( 4.081 -1.763 -4.325) 6.202 8.117 ( 3.035 0.308 -1.123) 3.251 8.251 ( 3.983 2.794 -2.085) 5.293 8.450 ( 3.013 6.109 -2.346) 7.205 8.737 ( 3.153 0.328 4.555) 5.549 9.013 ( 3.139 2.477 -7.965) 8.913 9.330 ( -2.000 -3.035 2.695) 4.525 9.498 ( -1.102 -1.334 -4.372) 4.702 12.137 ( -1.129 -2.167 5.442) 5.966 12.166 ( -0.422 0.219 2.247) 2.296 12.216 ( -0.657 -0.207 0.010) 0.689 12.463 ( 1.609 -6.466 -10.993) 12.855 12.931 ( 0.700 5.102 -3.411) 6.177 13.013 ( 8.368 1.160 1.092) 8.519 13.567 ( -3.326 -8.227 9.193) 12.777 13.854 ( -6.083 -5.685 -12.579) 15.085 14.500 ( 0.261 6.194 6.805) 9.206 14.595 ( 1.052 8.355 -0.180) 8.423 15.516 ( -4.120 2.582 11.897) 12.852 15.969 ( 1.582 -0.533 -8.675) 8.834 ======================= Grid point 144 (76/104) ======================= q-point: (-0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -6.000 -1.474 17.994) 19.025 1.493 ( -10.571 7.083 16.238) 20.630 1.683 ( 2.661 4.494 -8.652) 10.106 1.915 ( 0.961 8.104 -5.637) 9.919 2.225 ( 7.882 -0.821 -3.536) 8.678 2.346 ( 2.041 0.320 1.974) 2.857 2.543 ( 2.646 -0.987 1.233) 3.081 2.595 ( -2.139 8.663 7.152) 11.436 2.695 ( 1.822 -1.340 3.280) 3.984 2.759 ( -0.129 1.696 5.360) 5.623 2.897 ( 1.127 -2.736 10.559) 10.966 3.030 ( -2.188 -0.375 0.599) 2.299 3.204 ( -6.393 -3.050 -4.746) 8.527 3.333 ( -2.185 0.367 -5.242) 5.691 3.475 ( 4.922 -6.220 -0.686) 7.961 3.626 ( -6.720 -2.809 5.135) 8.911 3.668 ( -6.112 -4.025 -2.734) 7.812 3.895 ( -1.113 3.395 -5.714) 6.739 4.048 ( 3.994 0.100 -3.749) 5.479 4.155 ( 4.712 2.930 -0.969) 5.632 4.300 ( 0.066 1.182 -0.859) 1.463 4.545 ( 3.080 9.117 -8.638) 12.931 5.026 ( 8.541 -2.989 6.491) 11.136 5.359 ( 4.786 -4.338 1.622) 6.660 5.466 ( -1.161 -1.996 9.533) 9.809 5.589 ( -4.587 -2.089 4.400) 6.691 5.764 ( -3.937 -5.857 -0.701) 7.092 5.926 ( 0.654 -2.273 -11.596) 11.834 6.263 ( -0.216 -1.802 2.332) 2.955 6.361 ( 2.240 2.580 1.706) 3.819 6.452 ( -3.618 -4.657 -0.020) 5.897 6.605 ( -3.372 1.743 3.391) 5.090 6.740 ( 2.296 -0.654 -0.735) 2.498 6.909 ( 0.969 -4.709 -1.089) 4.929 7.084 ( 2.226 -0.527 -2.410) 3.323 7.221 ( -8.956 2.737 0.727) 9.393 7.270 ( -0.104 5.921 -0.083) 5.923 7.493 ( -4.573 8.789 -2.993) 10.350 7.730 ( -7.415 4.105 12.036) 14.721 7.995 ( 2.354 -1.090 -0.605) 2.664 8.124 ( 6.725 -2.709 -6.323) 9.620 8.204 ( 3.704 -2.111 -2.790) 5.095 8.330 ( 4.664 1.383 -1.959) 5.245 8.490 ( 0.620 4.055 -1.631) 4.415 8.837 ( 4.963 -2.877 4.812) 7.488 9.058 ( 2.220 -0.490 -0.905) 2.447 9.247 ( -5.354 -0.581 -2.874) 6.104 9.437 ( -3.157 -0.200 -5.083) 5.986 12.130 ( -1.297 -1.837 4.818) 5.317 12.169 ( 0.002 -0.072 1.544) 1.546 12.198 ( -1.000 -0.362 0.322) 1.111 12.432 ( -0.495 -5.226 -10.906) 12.104 12.961 ( 3.354 4.523 -2.131) 6.020 13.220 ( 8.349 -3.039 -2.094) 9.128 13.487 ( -4.835 -6.803 5.956) 10.253 13.697 ( -5.387 -1.884 -4.477) 7.253 14.505 ( -1.422 6.371 5.596) 8.598 14.639 ( 2.772 8.138 -1.551) 8.736 15.491 ( -2.259 2.714 12.349) 12.843 15.958 ( 0.466 -0.958 -8.813) 8.877 ======================= Grid point 145 (77/104) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -0.026 8.849 16.251) 18.504 1.607 ( -5.492 12.672 12.192) 18.422 1.915 ( 6.795 6.816 -6.654) 11.700 2.042 ( 0.222 3.348 -5.771) 6.675 2.213 ( -3.484 -4.711 -2.015) 6.196 2.288 ( 3.906 -3.031 -7.627) 9.089 2.655 ( 1.201 1.302 7.163) 7.379 2.723 ( 2.546 -1.441 1.014) 3.096 2.763 ( 3.087 -1.207 5.291) 6.244 2.847 ( -4.907 -5.187 1.321) 7.261 2.925 ( 1.016 8.313 6.002) 10.303 2.980 ( 4.782 3.124 7.226) 9.210 3.030 ( -2.335 -2.506 -5.827) 6.759 3.184 ( -8.788 0.890 -7.551) 11.621 3.336 ( 0.553 -8.176 1.842) 8.399 3.431 ( -2.112 -5.275 -3.544) 6.697 3.614 ( -1.855 4.288 2.949) 5.525 3.983 ( 1.448 2.780 -0.490) 3.173 4.093 ( 1.839 0.157 -5.269) 5.583 4.239 ( 1.522 -0.577 -5.238) 5.485 4.414 ( 0.189 8.095 8.665) 11.860 4.692 ( -1.227 4.041 -5.030) 6.567 5.096 ( 6.070 -6.963 5.504) 10.753 5.241 ( -1.098 -10.083 1.779) 10.297 5.386 ( -3.731 0.838 4.931) 6.240 5.483 ( -4.483 -0.466 2.546) 5.176 5.636 ( 1.837 -3.713 -0.976) 4.256 5.845 ( 2.267 -5.678 -9.881) 11.619 6.217 ( -1.170 -2.052 4.196) 4.816 6.272 ( -5.473 -2.721 2.985) 6.802 6.510 ( 3.006 0.459 -1.129) 3.243 6.585 ( 4.471 -1.063 -2.728) 5.344 6.793 ( 0.845 -0.269 0.704) 1.132 6.829 ( 0.496 0.188 -0.646) 0.836 7.032 ( -5.682 -3.033 1.378) 6.587 7.138 ( 6.735 -2.813 -3.834) 8.245 7.438 ( -1.697 9.014 6.500) 11.242 7.682 ( -4.331 14.019 -4.382) 15.313 7.766 ( -2.447 3.903 8.775) 9.911 8.035 ( -0.654 0.428 2.769) 2.877 8.174 ( 3.710 -0.866 -3.804) 5.384 8.219 ( 0.516 0.689 -7.836) 7.883 8.423 ( 3.224 0.138 -0.831) 3.332 8.472 ( -1.249 -1.069 -1.947) 2.548 8.857 ( -0.866 -2.381 5.702) 6.239 8.935 ( -1.351 -4.242 6.523) 7.898 9.250 ( 1.043 1.265 -6.143) 6.357 9.349 ( -1.709 -0.562 -7.363) 7.579 12.094 ( -0.470 -0.708 2.008) 2.180 12.161 ( -0.034 -1.409 0.385) 1.461 12.181 ( -0.092 0.379 0.492) 0.628 12.296 ( 0.254 -3.834 -6.726) 7.746 13.087 ( -4.097 2.560 1.579) 5.083 13.149 ( 0.591 1.013 -1.457) 1.871 13.481 ( 7.551 -5.549 -0.928) 9.416 13.529 ( -0.679 -5.126 -3.338) 6.154 14.661 ( -3.743 9.589 8.569) 13.394 14.834 ( 0.419 6.230 0.300) 6.251 15.587 ( 0.845 3.883 6.243) 7.401 15.884 ( 0.372 -3.385 -7.538) 8.271 ======================= Grid point 146 (78/104) ======================= q-point: ( 0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -2.521 13.366 9.583) 16.639 1.587 ( 1.912 8.372 15.174) 17.436 1.967 ( -3.412 2.771 -3.322) 5.510 2.025 ( 4.654 4.996 -9.857) 11.990 2.202 ( 2.295 -2.732 -2.480) 4.345 2.320 ( -0.430 -5.799 -4.497) 7.351 2.658 ( -3.661 -1.619 4.036) 5.685 2.724 ( -4.641 0.079 -0.389) 4.658 2.751 ( 0.825 -1.399 1.587) 2.271 2.774 ( -3.570 0.733 1.569) 3.968 2.922 ( -7.122 0.597 -3.140) 7.807 3.007 ( 2.890 5.480 6.540) 9.008 3.067 ( 5.504 -1.105 -1.970) 5.950 3.205 ( 10.413 -0.853 2.273) 10.692 3.316 ( -1.106 -0.045 0.297) 1.146 3.464 ( 2.494 -10.813 3.501) 11.636 3.597 ( -0.252 5.748 4.770) 7.474 4.003 ( 0.705 -0.264 -2.788) 2.888 4.110 ( 1.939 0.728 -7.838) 8.107 4.228 ( -0.643 0.863 -4.354) 4.485 4.421 ( -2.891 8.097 8.432) 12.042 4.643 ( -1.225 5.459 -4.677) 7.292 5.167 ( -3.845 -6.442 -1.013) 7.570 5.215 ( 1.116 -5.969 2.145) 6.441 5.324 ( -4.851 -1.330 8.352) 9.750 5.438 ( -0.316 -2.897 3.767) 4.763 5.670 ( 2.246 -5.379 -1.780) 6.095 5.863 ( 2.300 -6.066 -7.663) 10.041 6.214 ( 0.516 -2.353 2.262) 3.305 6.240 ( 1.978 -2.811 2.628) 4.327 6.522 ( 0.096 0.458 -2.909) 2.946 6.675 ( 0.482 -4.790 -0.609) 4.853 6.772 ( 0.180 1.300 -0.823) 1.549 6.862 ( -0.089 3.746 0.404) 3.769 6.959 ( -0.521 -0.615 1.714) 1.894 7.291 ( 8.954 -4.142 -4.460) 10.827 7.447 ( 0.239 6.287 8.398) 10.494 7.552 ( -6.780 11.382 1.874) 13.381 7.777 ( 0.508 3.418 0.340) 3.472 8.000 ( -3.566 -3.155 3.022) 5.639 8.083 ( -6.080 2.057 -2.445) 6.868 8.271 ( 3.554 0.793 -6.218) 7.205 8.443 ( -0.376 0.514 -4.134) 4.183 8.496 ( 2.262 0.304 -1.370) 2.662 8.768 ( -5.231 3.017 7.261) 9.444 9.031 ( 4.670 -4.639 6.569) 9.300 9.189 ( -3.535 1.957 -7.231) 8.283 9.361 ( 3.852 -1.914 -4.732) 6.395 12.092 ( -0.511 -0.877 2.361) 2.570 12.169 ( 0.699 -1.423 0.549) 1.678 12.187 ( 0.405 0.276 0.254) 0.552 12.282 ( 0.632 -3.264 -5.600) 6.512 12.981 ( -4.866 3.098 1.606) 5.988 13.166 ( -0.059 0.793 -0.505) 0.942 13.479 ( -0.832 -2.070 -3.069) 3.795 13.668 ( 8.520 -9.360 -5.125) 13.655 14.605 ( -4.243 9.192 9.023) 13.561 14.823 ( -1.788 5.673 2.092) 6.305 15.632 ( 1.021 3.560 5.332) 6.492 15.880 ( 1.919 -2.625 -7.672) 8.333 ======================= Grid point 147 (79/104) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.172 11.155 8.390) 14.126 1.696 ( 1.225 5.137 9.470) 10.843 1.889 ( -1.516 3.023 -2.037) 3.948 2.081 ( 2.983 2.584 -5.834) 7.044 2.202 ( -5.107 -3.774 -0.907) 6.415 2.247 ( -1.045 -1.037 -4.819) 5.039 2.509 ( -8.911 4.342 0.559) 9.929 2.606 ( -3.854 -0.078 -2.407) 4.544 2.710 ( -2.396 -0.123 -2.344) 3.354 2.794 ( -4.445 -2.901 4.810) 7.163 2.865 ( 5.185 -4.361 1.262) 6.892 3.091 ( 4.735 5.353 0.174) 7.149 3.251 ( 9.079 -3.186 2.483) 9.937 3.307 ( 1.791 4.644 -1.087) 5.095 3.385 ( 4.717 -1.242 0.663) 4.922 3.500 ( -0.910 -7.379 7.809) 10.782 3.679 ( 5.594 4.473 8.785) 11.335 3.974 ( -2.546 -0.452 -5.383) 5.972 4.094 ( -1.491 -0.969 -8.854) 9.031 4.190 ( -0.983 0.326 -4.351) 4.473 4.370 ( -3.962 8.988 8.709) 13.128 4.630 ( 1.975 8.043 -5.667) 10.035 5.066 ( -4.586 -3.020 -0.706) 5.537 5.171 ( -4.134 -1.470 -2.228) 4.921 5.296 ( -1.935 -2.782 13.045) 13.478 5.467 ( 1.063 -7.194 5.642) 9.204 5.705 ( 1.313 -5.710 -2.910) 6.542 5.883 ( 2.646 -6.949 -8.551) 11.332 6.278 ( 4.145 -2.095 -1.002) 4.751 6.343 ( 6.436 -4.307 2.579) 8.163 6.502 ( -0.930 0.186 -1.493) 1.769 6.613 ( -5.010 -4.580 0.742) 6.828 6.758 ( -1.326 2.867 -0.298) 3.173 6.830 ( -2.958 3.496 1.639) 4.864 7.013 ( 3.509 0.563 3.379) 4.904 7.377 ( -5.955 -0.475 1.693) 6.209 7.480 ( 5.215 2.537 1.030) 5.890 7.530 ( 5.034 3.937 2.444) 6.842 7.753 ( -2.344 -0.528 -3.943) 4.617 7.938 ( -2.480 -1.769 5.077) 5.920 7.997 ( -1.413 1.314 -5.210) 5.556 8.241 ( -3.325 -0.404 -4.307) 5.456 8.446 ( 1.900 4.796 -3.340) 6.146 8.518 ( 0.082 4.114 -1.689) 4.448 8.724 ( -2.180 4.943 7.842) 9.523 9.094 ( -1.479 0.843 -4.794) 5.087 9.153 ( 3.722 -2.260 2.710) 5.129 9.423 ( 3.270 -3.453 -4.263) 6.387 12.091 ( -0.419 -1.193 2.657) 2.943 12.188 ( 0.228 0.637 0.954) 1.170 12.196 ( 0.769 -1.455 0.355) 1.684 12.284 ( 1.553 -4.388 -5.806) 7.442 12.920 ( -1.373 4.289 1.727) 4.823 13.139 ( -1.829 1.396 -2.186) 3.174 13.456 ( -1.171 -2.597 0.697) 2.932 13.778 ( 4.235 -11.466 -9.872) 15.712 14.575 ( -1.545 8.994 10.104) 13.615 14.788 ( -2.274 5.585 3.557) 7.001 15.653 ( -0.971 3.830 5.444) 6.727 15.903 ( 2.836 -2.167 -7.953) 8.717 ======================= Grid point 148 (80/104) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -2.650 5.543 7.629) 9.795 1.690 ( 3.423 5.448 7.422) 9.823 1.886 ( -0.338 1.921 -2.391) 3.086 2.046 ( -4.046 -1.279 -6.719) 7.946 2.094 ( -4.418 1.619 0.286) 4.714 2.232 ( 1.736 4.878 -0.762) 5.233 2.409 ( 0.815 4.854 2.025) 5.323 2.577 ( -0.267 2.285 -1.478) 2.734 2.667 ( -0.708 -4.689 -1.993) 5.144 2.723 ( -3.854 -3.018 6.837) 8.409 2.914 ( 0.040 -3.581 -0.080) 3.582 3.196 ( 4.167 2.177 -5.561) 7.282 3.329 ( -0.001 -1.134 3.659) 3.831 3.413 ( 1.388 1.108 -3.846) 4.236 3.446 ( 5.046 -6.551 2.879) 8.756 3.513 ( -0.750 4.528 8.028) 9.248 3.808 ( -1.046 1.949 8.420) 8.706 3.888 ( 0.116 1.158 -1.709) 2.068 4.000 ( -2.795 -1.129 -7.334) 7.930 4.155 ( -0.864 -0.516 -6.820) 6.894 4.352 ( -0.522 8.100 6.751) 10.557 4.671 ( 3.560 8.728 -7.051) 11.771 4.977 ( -4.499 -0.712 2.433) 5.164 5.106 ( -0.284 -2.124 -1.910) 2.870 5.317 ( -0.294 -3.193 12.381) 12.790 5.518 ( 1.410 -6.862 6.501) 9.557 5.708 ( 0.633 -3.858 -3.892) 5.517 5.892 ( 0.953 -8.833 -10.836) 14.013 6.343 ( 0.359 -0.768 1.618) 1.826 6.400 ( -1.328 -0.503 -0.550) 1.523 6.502 ( -5.243 -4.235 1.420) 6.888 6.546 ( 4.960 -3.236 0.398) 5.936 6.740 ( -1.005 3.365 1.741) 3.920 6.783 ( -0.340 1.677 0.462) 1.772 7.098 ( 2.141 -0.284 5.167) 5.600 7.235 ( -6.152 -0.513 1.852) 6.445 7.552 ( -0.647 1.636 1.425) 2.263 7.672 ( 7.381 1.972 1.448) 7.776 7.703 ( 0.187 -3.261 -5.499) 6.396 7.927 ( -0.128 -0.160 4.468) 4.472 7.968 ( 1.072 0.990 -8.825) 8.945 8.208 ( 2.768 -0.078 -6.654) 7.207 8.379 ( -8.442 8.460 6.064) 13.402 8.538 ( 2.216 4.878 -3.675) 6.497 8.727 ( -0.058 3.353 5.682) 6.597 9.061 ( 0.143 1.833 -5.746) 6.033 9.232 ( 2.545 -3.141 2.631) 4.823 9.457 ( 1.683 -3.556 -5.341) 6.634 12.093 ( -0.349 -1.377 2.636) 2.995 12.184 ( -0.764 0.653 1.445) 1.761 12.214 ( 0.340 -0.747 0.304) 0.875 12.301 ( 2.248 -6.227 -7.050) 9.671 12.940 ( 2.566 4.284 2.719) 5.686 13.088 ( -1.480 3.700 -4.735) 6.189 13.434 ( -1.999 -5.083 5.228) 7.561 13.770 ( -0.789 -11.419 -11.684) 16.356 14.612 ( 1.106 8.560 10.131) 13.310 14.763 ( -1.184 6.288 3.246) 7.175 15.634 ( -2.740 4.334 6.128) 7.991 15.929 ( 2.224 -2.435 -7.992) 8.645 ======================= Grid point 149 (81/104) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -7.050 5.450 10.169) 13.521 1.779 ( -4.674 6.888 10.115) 13.100 1.839 ( -1.594 6.113 -3.580) 7.261 2.005 ( 2.637 -0.911 -7.451) 7.956 2.054 ( 4.751 0.140 -1.944) 5.136 2.311 ( 4.261 4.992 3.731) 7.549 2.512 ( 5.860 0.280 1.596) 6.080 2.559 ( -0.672 4.721 0.375) 4.784 2.594 ( -3.520 -4.987 0.931) 6.174 2.758 ( 2.943 -2.373 4.332) 5.750 2.904 ( -0.588 -4.296 0.535) 4.369 3.215 ( -0.494 -0.044 -3.043) 3.083 3.261 ( -4.972 -3.351 -1.865) 6.279 3.350 ( -9.948 4.710 2.627) 11.316 3.458 ( 0.270 1.066 -4.663) 4.791 3.582 ( 1.892 -0.723 8.170) 8.418 3.721 ( -5.067 -1.166 -1.918) 5.542 3.934 ( 1.015 -0.123 -0.076) 1.025 4.001 ( 3.614 2.290 -0.166) 4.282 4.134 ( 1.878 -0.284 -4.958) 5.309 4.371 ( -0.081 6.356 4.285) 7.666 4.705 ( 2.179 7.705 -7.153) 10.737 4.921 ( -1.223 0.143 4.050) 4.233 5.143 ( 2.846 -5.319 3.086) 6.776 5.378 ( 2.287 -1.560 8.532) 8.970 5.555 ( -0.235 -4.698 5.669) 7.366 5.698 ( -1.263 -4.950 -3.787) 6.359 5.850 ( 0.072 -8.300 -11.595) 14.259 6.278 ( -3.710 0.148 -0.120) 3.715 6.396 ( -0.791 1.655 3.375) 3.841 6.425 ( -2.405 -3.691 -1.317) 4.598 6.617 ( 1.514 -1.409 1.726) 2.694 6.727 ( -0.898 -0.147 1.805) 2.022 6.818 ( 1.785 0.224 1.107) 2.112 7.066 ( -3.357 -0.445 1.096) 3.559 7.206 ( -0.882 -5.823 3.863) 7.044 7.507 ( -2.432 6.144 -0.589) 6.634 7.690 ( -0.656 0.055 2.175) 2.273 7.838 ( 8.088 2.099 -0.478) 8.369 7.947 ( 1.274 3.769 -8.911) 9.759 8.006 ( 4.549 -0.790 -2.372) 5.190 8.212 ( -7.299 7.665 4.431) 11.474 8.278 ( 4.300 -0.314 -2.228) 4.853 8.555 ( 0.722 2.849 -2.848) 4.093 8.752 ( 0.343 1.333 5.231) 5.409 9.037 ( -1.773 -1.722 -0.056) 2.473 9.271 ( 1.277 -1.015 -3.900) 4.227 9.455 ( 0.065 -2.659 -5.584) 6.185 12.095 ( -0.321 -1.272 2.272) 2.624 12.172 ( -0.775 0.219 1.280) 1.512 12.210 ( -0.746 -0.379 0.423) 0.937 12.317 ( 1.765 -6.538 -8.108) 10.564 13.040 ( 5.152 3.258 2.646) 6.645 13.058 ( 1.194 4.422 -4.976) 6.763 13.405 ( -3.302 -6.215 7.494) 10.280 13.686 ( -3.004 -9.322 -10.087) 14.060 14.668 ( 0.402 8.438 8.872) 12.250 14.768 ( 0.908 7.002 1.925) 7.318 15.594 ( -3.082 4.622 6.780) 8.765 15.933 ( 0.866 -3.112 -7.830) 8.471 ======================= Grid point 150 (82/104) ======================= q-point: (-0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -3.977 7.248 15.203) 17.306 1.683 ( -6.238 9.950 10.875) 16.006 1.826 ( 2.916 8.009 -5.884) 10.357 2.029 ( 2.301 0.917 -5.566) 6.093 2.200 ( 6.454 -1.448 -3.927) 7.692 2.334 ( -4.278 -2.806 -1.395) 5.303 2.555 ( 3.872 3.520 5.385) 7.509 2.626 ( 6.010 -1.388 0.288) 6.175 2.661 ( 4.306 0.613 4.852) 6.516 2.825 ( 2.344 -1.991 5.133) 5.984 2.894 ( -0.752 -4.422 -0.591) 4.524 3.082 ( -11.350 9.399 9.435) 17.498 3.142 ( -5.100 -0.870 -5.098) 7.264 3.260 ( 1.134 -7.511 -2.707) 8.064 3.388 ( -4.121 -0.916 -7.662) 8.748 3.566 ( -7.319 -2.197 -3.013) 8.214 3.629 ( -1.012 1.710 5.343) 5.701 3.958 ( 1.368 2.371 -1.335) 3.046 4.064 ( 2.543 0.345 -2.305) 3.449 4.193 ( 4.186 -0.370 -3.450) 5.437 4.382 ( -0.242 6.973 6.203) 9.336 4.715 ( 0.930 5.316 -5.929) 8.018 4.966 ( 3.657 -2.220 5.756) 7.171 5.213 ( 1.945 -8.444 5.189) 10.100 5.435 ( -0.636 -0.376 4.164) 4.229 5.545 ( -2.204 -1.959 4.245) 5.169 5.630 ( -2.117 -5.361 -2.548) 6.302 5.838 ( 2.202 -5.929 -11.498) 13.123 6.234 ( -1.333 -0.750 1.898) 2.437 6.368 ( -3.341 -3.464 -0.342) 4.825 6.416 ( 2.848 2.420 1.427) 4.001 6.603 ( -3.468 -2.349 2.231) 4.746 6.734 ( 2.265 0.554 0.277) 2.348 6.842 ( 0.129 -0.811 0.776) 1.130 7.054 ( 2.309 -2.353 -2.502) 4.139 7.147 ( -5.394 -5.580 2.628) 8.193 7.463 ( -2.148 8.749 2.500) 9.349 7.703 ( 1.008 5.909 0.095) 5.995 7.870 ( -6.813 10.792 2.565) 13.018 7.989 ( 4.799 1.287 0.993) 5.067 8.081 ( 4.656 -1.337 -3.796) 6.154 8.187 ( 3.919 0.848 -5.792) 7.044 8.353 ( 3.320 0.358 -0.394) 3.363 8.539 ( -2.094 0.026 -2.250) 3.074 8.787 ( 1.968 -1.578 4.865) 5.480 8.993 ( -3.491 -5.145 6.257) 8.820 9.259 ( 0.324 1.653 -8.914) 9.072 9.419 ( -1.711 -1.656 -5.824) 6.291 12.096 ( -0.347 -0.917 1.914) 2.150 12.163 ( -0.360 -0.514 0.700) 0.941 12.192 ( -1.031 -0.163 0.660) 1.235 12.314 ( 0.753 -5.367 -7.988) 9.653 13.073 ( 2.600 5.590 -3.881) 7.285 13.168 ( 2.967 -1.370 1.622) 3.649 13.366 ( -0.573 -4.519 5.510) 7.149 13.593 ( -2.812 -6.910 -6.300) 9.765 14.686 ( -1.543 9.305 8.113) 12.442 14.806 ( 1.863 6.753 0.664) 7.037 15.568 ( -1.511 4.440 6.960) 8.393 15.911 ( -0.082 -3.595 -7.637) 8.441 ======================= Grid point 151 (83/104) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.102 12.272 9.932) 15.826 1.848 ( -2.478 6.813 5.467) 9.080 1.975 ( 1.087 -6.796 3.897) 7.909 2.001 ( 1.574 -0.528 1.234) 2.069 2.178 ( -1.404 1.942 -5.459) 5.962 2.232 ( 1.259 -2.547 -7.874) 8.371 2.681 ( -0.342 -0.243 -0.742) 0.852 2.693 ( -0.349 -0.815 1.934) 2.128 2.760 ( 2.537 1.208 5.511) 6.185 2.788 ( 0.664 -0.305 1.190) 1.396 2.895 ( 7.158 -0.335 0.237) 7.170 2.971 ( -1.886 -4.128 -6.259) 7.732 3.076 ( -2.020 1.128 1.243) 2.626 3.151 ( 1.661 -6.417 1.171) 6.731 3.320 ( -5.423 6.294 -6.786) 10.728 3.386 ( -4.384 -0.916 -6.045) 7.523 3.754 ( -2.110 9.422 9.878) 13.813 3.946 ( -2.121 -6.563 7.515) 10.200 4.136 ( 3.851 3.492 -6.779) 8.543 4.204 ( 3.105 -2.573 -5.491) 6.812 4.593 ( -0.770 8.426 9.611) 12.805 4.720 ( -0.966 -1.948 4.936) 5.394 4.984 ( 1.829 -2.938 2.397) 4.210 5.028 ( -0.971 -7.621 2.360) 8.037 5.454 ( -2.771 3.586 -1.178) 4.682 5.481 ( -2.571 0.048 -0.278) 2.587 5.593 ( 1.621 1.067 -1.917) 2.727 5.702 ( 2.228 -7.225 -7.864) 10.910 6.191 ( -2.655 -0.090 4.072) 4.862 6.216 ( -4.440 -2.221 3.522) 6.087 6.514 ( 2.431 0.412 -1.955) 3.147 6.540 ( 3.345 -2.096 -2.377) 4.609 6.824 ( -0.932 3.017 0.991) 3.310 6.873 ( 3.025 1.116 -1.485) 3.550 6.963 ( -1.816 -0.927 0.920) 2.237 7.042 ( 5.215 -5.481 -3.060) 8.161 7.635 ( -1.492 8.723 8.256) 12.103 7.773 ( -0.089 -3.333 6.684) 7.469 7.936 ( -8.730 8.169 -0.500) 11.966 8.027 ( -5.090 -1.422 2.287) 5.759 8.184 ( 5.430 1.881 -5.197) 7.748 8.226 ( 1.921 -0.942 -7.851) 8.137 8.429 ( 2.513 0.567 -0.671) 2.662 8.447 ( 0.021 -1.050 -1.046) 1.483 8.825 ( 1.633 -0.455 5.362) 5.624 8.852 ( -0.250 -2.964 6.362) 7.023 9.278 ( -0.168 1.607 -7.428) 7.602 9.319 ( -1.069 -1.990 -7.854) 8.172 12.098 ( -0.311 0.975 -0.262) 1.056 12.128 ( -0.415 -1.641 -0.524) 1.772 12.194 ( 0.478 0.975 -0.852) 1.381 12.228 ( 0.821 -2.394 -3.622) 4.418 13.144 ( -3.590 2.901 1.579) 4.878 13.181 ( -0.234 0.448 -1.237) 1.336 13.386 ( 5.485 -1.913 -0.938) 5.885 13.423 ( 1.400 -4.328 -3.765) 5.905 14.844 ( -3.183 6.538 8.231) 10.983 14.911 ( -1.414 0.441 5.392) 5.591 15.680 ( 1.171 4.935 -0.104) 5.073 15.791 ( 0.825 -5.152 -4.753) 7.058 ======================= Grid point 152 (84/104) ======================= q-point: ( 0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.874 10.291 7.438) 12.728 1.805 ( -1.959 9.566 5.952) 11.436 1.979 ( -2.256 -3.235 1.705) 4.296 2.016 ( -0.008 -5.027 -0.246) 5.033 2.162 ( 1.551 0.451 -3.483) 3.840 2.217 ( -0.943 -3.931 -4.642) 6.155 2.653 ( -2.086 0.964 -0.492) 2.350 2.697 ( -0.251 -2.833 -0.284) 2.859 2.735 ( -4.104 1.955 -2.204) 5.052 2.792 ( -0.462 -1.770 -2.370) 2.994 2.900 ( -2.124 4.892 -1.633) 5.578 3.055 ( 6.047 -5.239 -0.325) 8.008 3.104 ( 3.040 3.469 6.066) 7.621 3.217 ( 1.096 -5.805 4.312) 7.314 3.279 ( 5.337 1.930 -3.773) 6.815 3.333 ( 2.168 -0.373 -5.165) 5.614 3.757 ( -0.551 9.054 8.287) 12.286 3.929 ( -1.247 -6.227 3.833) 7.418 4.166 ( 0.907 3.298 -6.655) 7.482 4.221 ( 0.004 -1.604 -4.574) 4.847 4.591 ( -2.563 8.716 9.797) 13.361 4.728 ( 0.022 -0.366 5.087) 5.101 5.002 ( -1.018 -5.201 1.030) 5.399 5.049 ( 1.738 -7.073 2.607) 7.736 5.356 ( -5.162 3.370 0.348) 6.174 5.422 ( -2.893 -1.675 -1.985) 3.887 5.620 ( 1.798 1.893 -2.058) 3.324 5.725 ( 2.051 -6.541 -5.328) 8.682 6.177 ( 0.546 -0.751 3.137) 3.272 6.188 ( 1.232 -1.745 2.648) 3.402 6.538 ( 0.298 1.240 -1.969) 2.346 6.584 ( 0.080 -3.256 -0.753) 3.343 6.807 ( -0.126 2.503 -0.267) 2.520 6.872 ( -0.964 -2.988 0.074) 3.140 7.019 ( 4.562 6.083 -0.933) 7.661 7.161 ( 6.293 -6.921 -2.977) 9.816 7.619 ( -2.893 8.155 9.404) 12.780 7.716 ( -7.539 1.603 6.169) 9.873 7.821 ( -1.737 2.526 -2.962) 4.263 7.911 ( -5.463 -4.803 1.952) 7.532 8.167 ( -3.777 4.959 -2.587) 6.749 8.255 ( -0.132 -2.678 -3.098) 4.097 8.460 ( 2.954 1.301 -3.962) 5.111 8.488 ( 4.243 -1.002 -2.788) 5.175 8.845 ( -0.017 4.023 5.722) 6.995 8.934 ( 3.346 -4.376 6.292) 8.363 9.237 ( -0.854 2.619 -7.471) 7.963 9.302 ( 1.826 -3.291 -6.524) 7.532 12.091 ( -0.252 0.832 -0.018) 0.870 12.125 ( 0.360 -2.188 -0.771) 2.348 12.202 ( 0.565 0.992 -0.961) 1.493 12.230 ( 0.502 -1.697 -2.925) 3.419 13.071 ( -3.371 4.831 1.386) 6.051 13.154 ( -1.804 -2.264 0.207) 2.902 13.448 ( 1.760 -0.292 -4.052) 4.427 13.498 ( 5.415 -5.548 -4.154) 8.795 14.792 ( -4.254 7.290 9.017) 12.351 14.881 ( -3.252 -0.672 6.700) 7.478 15.716 ( 2.003 4.260 -0.681) 4.756 15.807 ( 2.255 -4.094 -5.010) 6.851 ======================= Grid point 153 (85/104) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.505 10.732 3.711) 11.367 1.839 ( -0.003 7.587 4.677) 8.913 1.916 ( -2.304 -1.403 -1.868) 3.281 2.019 ( 0.641 -7.093 -3.702) 8.027 2.153 ( -2.656 -0.330 3.603) 4.488 2.201 ( 0.273 -3.806 0.232) 3.823 2.545 ( -5.483 2.142 -2.461) 6.380 2.606 ( -5.749 -0.962 0.370) 5.841 2.728 ( -0.851 -2.493 -0.396) 2.664 2.736 ( -0.831 -1.350 -2.953) 3.352 2.908 ( 0.991 10.613 0.941) 10.701 3.126 ( 2.540 -5.335 -5.660) 8.182 3.225 ( 5.181 0.524 6.339) 8.204 3.266 ( 2.435 -4.566 5.904) 7.851 3.401 ( 5.638 1.264 -3.506) 6.758 3.428 ( 7.601 0.011 -2.317) 7.946 3.799 ( 1.918 6.315 6.394) 9.189 3.918 ( -0.878 -4.593 -1.153) 4.817 4.116 ( -3.449 2.750 -4.996) 6.665 4.173 ( -2.821 -1.953 -3.128) 4.643 4.576 ( -2.267 10.674 10.534) 15.167 4.752 ( 0.565 -0.999 4.164) 4.319 4.977 ( -1.611 -1.725 1.363) 2.726 5.069 ( -0.896 -6.841 1.484) 7.057 5.282 ( -1.991 2.850 3.180) 4.711 5.371 ( -0.861 -3.824 -0.119) 3.921 5.648 ( 1.674 1.119 -4.652) 5.069 5.737 ( 1.032 -6.320 -6.666) 9.244 6.249 ( 4.943 -0.222 0.966) 5.041 6.272 ( 5.619 -2.307 2.315) 6.500 6.508 ( -2.411 0.602 -0.672) 2.574 6.538 ( -3.965 -2.410 0.571) 4.676 6.807 ( 0.035 2.903 0.616) 2.968 6.869 ( -0.319 -1.831 0.994) 2.108 7.075 ( 0.528 6.190 1.778) 6.462 7.235 ( -0.001 -8.157 -0.202) 8.159 7.595 ( -2.646 4.658 5.474) 7.659 7.622 ( 0.059 2.221 0.543) 2.288 7.761 ( -2.636 2.177 -2.561) 4.272 7.852 ( -1.620 -5.224 4.185) 6.887 8.089 ( -1.829 5.528 -4.449) 7.328 8.193 ( -2.551 -3.839 -4.178) 6.221 8.530 ( 3.435 2.789 -2.621) 5.143 8.560 ( 2.931 0.047 -2.425) 3.804 8.856 ( -1.559 6.933 7.229) 10.137 9.000 ( 0.321 -6.340 6.643) 9.188 9.217 ( 2.110 4.967 -8.156) 9.780 9.328 ( 2.834 -5.170 -6.529) 8.797 12.088 ( 0.085 1.064 -0.313) 1.113 12.136 ( 1.078 -3.178 -1.762) 3.790 12.207 ( 0.101 0.887 -0.167) 0.908 12.229 ( 0.209 -1.279 -1.897) 2.297 13.028 ( -1.171 5.370 1.843) 5.797 13.123 ( -1.124 -2.913 0.580) 3.176 13.447 ( -0.653 2.212 -3.770) 4.419 13.559 ( 2.154 -8.285 -6.896) 10.993 14.756 ( -2.147 7.055 9.942) 12.379 14.844 ( -2.496 -0.735 7.649) 8.080 15.744 ( 0.753 4.538 -0.767) 4.663 15.837 ( 2.179 -3.974 -5.323) 6.991 ======================= Grid point 154 (86/104) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -4.035 7.956 2.465) 9.256 1.862 ( 4.938 7.641 1.555) 9.230 1.902 ( 1.216 -0.819 -1.239) 1.920 1.990 ( -2.583 -3.291 -4.333) 6.023 2.104 ( -4.579 0.328 3.558) 5.808 2.201 ( 1.175 -6.800 0.536) 6.921 2.490 ( 0.317 2.347 4.235) 4.852 2.533 ( -2.009 -1.547 5.648) 6.191 2.679 ( -1.976 2.057 -0.651) 2.926 2.732 ( -0.149 -1.234 -1.822) 2.206 2.910 ( -0.904 7.640 0.430) 7.705 3.130 ( 0.440 -9.139 -8.106) 12.224 3.300 ( -1.547 -0.370 2.135) 2.662 3.321 ( 1.479 -2.679 5.023) 5.882 3.514 ( 6.936 5.944 -6.857) 11.422 3.591 ( 7.626 0.195 -0.931) 7.685 3.837 ( -4.016 0.942 3.150) 5.190 3.869 ( -0.622 -2.030 0.822) 2.277 4.029 ( -2.046 3.529 -1.975) 4.532 4.109 ( -1.796 -3.349 -3.360) 5.072 4.567 ( -2.429 11.413 10.207) 15.502 4.769 ( -0.893 -3.875 4.076) 5.694 4.955 ( -0.775 1.662 1.935) 2.666 5.039 ( -1.361 -3.880 0.474) 4.139 5.304 ( 2.482 2.921 4.540) 5.942 5.399 ( 2.502 -4.731 3.337) 6.307 5.650 ( 0.763 -0.700 -7.273) 7.347 5.714 ( -0.447 -6.656 -9.470) 11.584 6.343 ( 1.416 0.979 1.904) 2.567 6.380 ( 2.171 -1.929 0.595) 2.965 6.446 ( -3.497 -0.159 0.874) 3.608 6.478 ( 1.350 -2.633 -0.174) 2.964 6.814 ( -0.446 2.968 2.042) 3.631 6.840 ( -2.347 1.655 1.440) 3.213 7.081 ( -0.474 0.472 4.992) 5.036 7.154 ( -6.511 -5.200 2.904) 8.824 7.601 ( 1.323 2.170 0.026) 2.542 7.643 ( 0.244 -1.962 -2.399) 3.109 7.760 ( 4.414 5.306 0.683) 6.935 7.868 ( 2.513 -4.283 2.472) 5.547 8.063 ( 1.267 5.650 -7.108) 9.168 8.167 ( 2.052 -3.642 -6.437) 7.676 8.529 ( -3.806 5.030 1.811) 6.563 8.586 ( 0.182 -0.364 -1.999) 2.040 8.835 ( -2.554 6.849 7.080) 10.177 8.993 ( -3.034 -6.996 6.249) 9.859 9.259 ( 4.181 4.522 -8.000) 10.096 9.365 ( 2.951 -4.939 -7.403) 9.376 12.092 ( 0.411 1.427 -0.824) 1.698 12.152 ( 1.128 -3.821 -2.849) 4.898 12.206 ( -0.276 0.672 0.591) 0.937 12.224 ( -0.115 -1.236 -1.152) 1.693 13.038 ( 1.303 4.593 2.573) 5.424 13.115 ( 0.288 -1.776 0.031) 1.799 13.402 ( -2.280 2.986 -2.072) 4.291 13.543 ( -0.812 -9.356 -7.679) 12.131 14.775 ( 0.196 5.940 9.788) 11.451 14.838 ( -0.702 0.328 7.264) 7.305 15.739 ( -0.928 5.386 -0.426) 5.482 15.851 ( 0.924 -4.772 -5.338) 7.219 ======================= Grid point 155 (87/104) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -3.821 10.329 4.466) 11.884 1.893 ( -1.645 -6.489 -1.330) 6.825 1.921 ( 0.326 4.559 -2.456) 5.189 2.004 ( -4.344 0.695 0.746) 4.462 2.041 ( 8.278 5.780 2.236) 10.341 2.251 ( 1.827 -9.106 1.620) 9.428 2.541 ( 0.896 1.228 5.218) 5.435 2.555 ( 2.782 1.160 6.446) 7.116 2.659 ( 0.183 2.530 2.324) 3.440 2.727 ( 0.348 -2.724 -0.298) 2.762 2.881 ( -1.692 6.711 -0.598) 6.947 3.093 ( -1.050 -9.988 -7.922) 12.791 3.232 ( -4.441 1.672 -1.413) 4.952 3.312 ( -3.125 -5.114 -1.103) 6.094 3.555 ( -1.211 6.925 -8.878) 11.324 3.671 ( -1.874 -3.433 -7.835) 8.758 3.739 ( -2.012 9.426 9.867) 13.793 3.898 ( 1.748 -4.481 6.287) 7.916 4.036 ( 1.792 1.889 -1.796) 3.163 4.092 ( 1.851 -2.955 -2.684) 4.401 4.553 ( -1.901 10.019 8.800) 13.470 4.742 ( -2.506 -5.614 4.535) 7.639 4.956 ( -0.266 3.499 1.880) 3.981 5.036 ( 0.216 -4.063 2.628) 4.844 5.394 ( 4.034 3.015 3.455) 6.107 5.468 ( 2.253 -3.513 4.146) 5.883 5.619 ( -1.294 -1.227 -7.742) 7.944 5.682 ( 1.878 -6.611 -11.357) 13.275 6.297 ( -3.327 1.723 -0.104) 3.748 6.350 ( -2.757 -3.098 -0.548) 4.183 6.449 ( 0.742 3.231 2.041) 3.893 6.535 ( 1.416 -4.676 1.666) 5.162 6.776 ( -1.765 3.589 1.112) 4.151 6.831 ( -0.333 -0.580 1.940) 2.052 7.044 ( -4.174 -0.608 2.634) 4.973 7.084 ( -1.867 -4.269 4.897) 6.760 7.612 ( -0.078 3.042 0.428) 3.073 7.655 ( 1.979 -1.714 1.482) 3.008 7.903 ( 7.824 3.481 -0.128) 8.564 7.968 ( 5.892 -2.066 -0.716) 6.285 8.089 ( 4.265 7.060 -10.163) 13.089 8.219 ( 4.435 -4.628 -6.071) 8.829 8.405 ( -8.120 8.726 4.665) 12.800 8.546 ( -3.372 -3.831 -0.787) 5.164 8.810 ( -2.181 4.381 5.994) 7.738 8.933 ( -4.490 -6.567 6.343) 10.175 9.307 ( 2.852 3.451 -8.669) 9.757 9.387 ( 1.485 -3.688 -7.426) 8.423 12.098 ( 0.538 1.696 -1.248) 2.173 12.156 ( 0.080 -2.672 -2.223) 3.477 12.202 ( -0.406 -0.018 0.465) 0.617 12.218 ( 0.233 -1.974 -1.882) 2.737 13.095 ( 3.080 2.648 2.621) 4.834 13.133 ( 1.672 0.437 -1.344) 2.189 13.350 ( -2.306 2.541 0.704) 3.503 13.487 ( -1.749 -8.759 -6.475) 11.032 14.820 ( 0.621 5.113 8.725) 10.132 14.862 ( 0.609 1.377 5.974) 6.161 15.708 ( -1.773 6.003 0.077) 6.260 15.837 ( -0.359 -5.674 -5.044) 7.600 ======================= Grid point 156 (88/104) ======================= q-point: (-0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -1.274 12.061 8.197) 14.639 1.861 ( -1.027 1.484 3.192) 3.667 1.943 ( 0.221 -3.461 2.689) 4.389 1.965 ( 1.519 2.772 -2.429) 3.987 2.184 ( 4.043 0.898 -1.815) 4.521 2.252 ( -1.432 -4.255 -1.952) 4.896 2.613 ( 4.588 0.839 1.092) 4.790 2.644 ( 3.846 2.312 8.496) 9.608 2.700 ( 1.815 -0.570 1.797) 2.617 2.747 ( 0.711 -4.078 4.539) 6.144 2.844 ( -0.836 5.731 -2.088) 6.156 3.035 ( -1.653 -9.975 -8.144) 12.983 3.133 ( -3.978 2.024 -0.714) 4.520 3.207 ( -5.029 -3.335 -3.323) 6.889 3.455 ( -4.652 5.853 -7.069) 10.289 3.533 ( -6.576 -1.869 -7.099) 9.855 3.760 ( -1.673 9.808 10.920) 14.773 3.947 ( -0.193 -5.439 7.482) 9.252 4.076 ( 3.521 2.410 -4.798) 6.420 4.147 ( 3.895 -3.380 -4.677) 6.962 4.564 ( -0.208 9.116 9.170) 12.932 4.723 ( -1.058 -4.576 4.946) 6.820 4.956 ( -0.078 1.601 2.366) 2.858 5.042 ( -0.968 -6.644 3.250) 7.460 5.465 ( 1.512 2.510 0.281) 2.943 5.507 ( 0.304 -1.669 2.832) 3.301 5.580 ( 0.284 1.531 -5.228) 5.456 5.691 ( 2.350 -7.273 -10.753) 13.193 6.240 ( -2.674 1.495 1.550) 3.434 6.295 ( -3.130 -3.305 0.599) 4.592 6.465 ( 1.306 2.418 0.506) 2.794 6.529 ( -1.449 -3.635 1.071) 4.057 6.783 ( 2.391 3.672 -0.232) 4.388 6.845 ( 0.993 -0.723 0.917) 1.533 6.995 ( -0.995 -1.507 -0.027) 1.806 7.036 ( -3.710 -4.335 2.571) 6.259 7.623 ( 0.156 6.221 4.443) 7.646 7.721 ( 2.639 -2.641 4.632) 5.950 8.037 ( 4.053 2.433 0.336) 4.739 8.068 ( 2.680 -0.341 -0.355) 2.725 8.124 ( -0.980 9.744 -8.603) 13.035 8.215 ( -0.100 0.465 -6.389) 6.407 8.358 ( 3.078 1.754 1.781) 3.966 8.471 ( -2.474 -6.258 -0.421) 6.743 8.790 ( -1.279 2.247 5.727) 6.284 8.875 ( -3.147 -5.286 6.634) 9.047 9.307 ( 0.450 2.759 -8.934) 9.362 9.369 ( -0.573 -2.840 -7.422) 7.967 12.102 ( 0.175 1.498 -1.032) 1.828 12.143 ( -0.642 -1.639 -0.979) 2.014 12.193 ( -0.309 0.414 0.064) 0.521 12.222 ( 0.949 -2.813 -3.426) 4.534 13.160 ( 1.934 1.381 -0.036) 2.376 13.172 ( 1.774 1.358 -0.428) 2.275 13.321 ( -0.160 1.778 1.664) 2.440 13.435 ( -1.047 -7.324 -4.504) 8.662 14.853 ( -0.606 5.515 8.012) 9.745 14.898 ( 0.610 1.359 5.095) 5.308 15.678 ( -0.946 5.836 0.297) 5.920 15.807 ( -0.551 -5.922 -4.752) 7.613 ======================= Grid point 175 (89/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 11.772 0.000 -13.122) 17.629 1.529 ( -11.772 0.000 13.122) 17.629 1.670 ( 2.157 0.000 -10.592) 10.809 1.670 ( -2.157 0.000 10.592) 10.809 2.310 ( -7.195 0.000 2.201) 7.525 2.310 ( 7.195 0.000 -2.201) 7.525 2.716 ( 2.477 0.000 -14.548) 14.757 2.716 ( -2.477 0.000 14.548) 14.757 2.833 ( 3.542 0.000 -1.208) 3.743 2.833 ( -3.542 0.000 1.208) 3.743 2.909 ( 3.125 0.000 -3.394) 4.614 2.909 ( -3.125 0.000 3.394) 4.614 3.185 ( -3.012 0.000 -5.850) 6.579 3.185 ( 3.012 0.000 5.850) 6.579 3.602 ( 1.963 0.000 -10.691) 10.870 3.602 ( -1.963 0.000 10.691) 10.870 3.709 ( 6.322 0.000 -3.662) 7.306 3.709 ( -6.322 0.000 3.662) 7.306 4.069 ( 1.919 0.000 -6.525) 6.802 4.069 ( -1.919 0.000 6.525) 6.802 4.330 ( 3.461 0.000 -6.656) 7.502 4.330 ( -3.461 0.000 6.656) 7.502 5.388 ( -6.117 0.000 -0.983) 6.196 5.388 ( 6.117 0.000 0.983) 6.196 5.674 ( -1.781 0.000 -6.024) 6.282 5.674 ( 1.781 0.000 6.024) 6.282 5.718 ( 4.440 0.000 -12.380) 13.152 5.718 ( -4.440 0.000 12.380) 13.152 6.368 ( 2.934 0.000 -4.788) 5.615 6.368 ( -2.934 0.000 4.788) 5.615 6.495 ( 7.656 0.000 -3.859) 8.573 6.495 ( -7.656 0.000 3.859) 8.573 6.810 ( -7.675 0.000 2.015) 7.935 6.810 ( 7.675 0.000 -2.015) 7.935 7.138 ( 0.485 0.000 -1.281) 1.370 7.138 ( -0.485 0.000 1.281) 1.370 7.236 ( -7.102 0.000 0.437) 7.115 7.236 ( 7.102 0.000 -0.437) 7.115 7.874 ( 2.827 0.000 -11.100) 11.454 7.874 ( -2.827 0.000 11.100) 11.454 8.204 ( 2.345 0.000 -2.375) 3.338 8.204 ( -2.345 0.000 2.375) 3.338 8.408 ( -4.982 0.000 1.614) 5.237 8.408 ( 4.982 0.000 -1.614) 5.237 9.086 ( 9.533 0.000 -4.648) 10.605 9.086 ( -9.533 0.000 4.648) 10.605 9.189 ( -4.156 0.000 -7.392) 8.480 9.189 ( 4.156 0.000 7.392) 8.480 12.191 ( 0.092 0.000 -0.482) 0.490 12.191 ( -0.092 0.000 0.482) 0.490 12.269 ( 0.701 0.000 -7.466) 7.499 12.269 ( -0.701 0.000 7.466) 7.499 13.077 ( -6.561 0.000 -5.906) 8.828 13.077 ( 6.561 0.000 5.906) 8.828 13.653 ( -8.104 0.000 2.349) 8.437 13.653 ( 8.104 0.000 -2.349) 8.437 14.499 ( -0.529 0.000 -2.982) 3.028 14.499 ( 0.529 0.000 2.982) 3.028 15.737 ( 0.438 0.000 -12.181) 12.189 15.737 ( -0.438 0.000 12.181) 12.189 ======================= Grid point 177 (90/104) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -4.455 0.000 12.840) 13.591 1.681 ( 1.353 0.000 6.774) 6.907 1.699 ( 3.652 0.000 -7.645) 8.472 1.718 ( 8.632 0.000 -10.547) 13.629 2.188 ( -5.473 0.000 -0.138) 5.475 2.417 ( 0.379 0.000 -4.166) 4.183 2.549 ( -8.899 0.000 0.158) 8.901 2.649 ( -3.199 0.000 -8.693) 9.263 2.796 ( -2.283 0.000 -7.209) 7.561 2.823 ( -0.278 0.000 0.360) 0.454 2.949 ( 2.424 0.000 10.802) 11.071 3.065 ( 6.622 0.000 0.731) 6.662 3.129 ( 0.184 0.000 -0.375) 0.418 3.280 ( 4.968 0.000 2.526) 5.573 3.549 ( -2.138 0.000 3.388) 4.006 3.613 ( -0.507 0.000 15.350) 15.358 3.726 ( 5.919 0.000 -9.602) 11.280 3.864 ( 8.710 0.000 -9.477) 12.872 4.024 ( -4.910 0.000 7.475) 8.944 4.050 ( -1.874 0.000 -4.750) 5.107 4.258 ( -5.570 0.000 7.765) 9.556 4.343 ( 0.056 0.000 -6.549) 6.549 5.168 ( -9.928 0.000 -4.746) 11.004 5.350 ( -7.184 0.000 3.044) 7.802 5.656 ( -4.504 0.000 14.993) 15.655 5.681 ( 1.705 0.000 -4.444) 4.760 5.779 ( 5.556 0.000 -14.037) 15.097 5.871 ( 10.160 0.000 -1.113) 10.221 6.286 ( -3.534 0.000 2.023) 4.072 6.401 ( 2.559 0.000 -5.096) 5.703 6.460 ( 1.938 0.000 4.946) 5.312 6.647 ( 5.663 0.000 -3.204) 6.507 6.688 ( -4.804 0.000 3.780) 6.113 6.974 ( 7.097 0.000 2.012) 7.376 7.033 ( -5.868 0.000 1.193) 5.988 7.095 ( -2.578 0.000 0.854) 2.716 7.243 ( 4.660 0.000 -1.681) 4.954 7.428 ( 9.651 0.000 -1.300) 9.739 7.868 ( -1.722 0.000 11.287) 11.417 7.911 ( 4.523 0.000 -9.679) 10.684 8.130 ( -5.072 0.000 0.789) 5.133 8.206 ( -1.392 0.000 -2.098) 2.518 8.290 ( -5.767 0.000 -0.004) 5.767 8.443 ( -1.561 0.000 -1.929) 2.482 8.891 ( -9.097 0.000 9.012) 12.805 8.999 ( -7.088 0.000 -6.796) 9.820 9.311 ( 8.646 0.000 -2.886) 9.115 9.319 ( 4.393 0.000 6.994) 8.259 12.194 ( 0.337 0.000 -0.889) 0.951 12.196 ( 0.237 0.000 0.819) 0.852 12.275 ( 2.355 0.000 -6.480) 6.895 12.294 ( -0.033 0.000 9.292) 9.292 12.921 ( -5.882 0.000 -2.768) 6.501 13.146 ( -4.161 0.000 6.035) 7.330 13.578 ( 2.231 0.000 1.818) 2.878 13.810 ( 7.544 0.000 -7.111) 10.367 14.470 ( -1.241 0.000 -1.732) 2.131 14.509 ( -0.317 0.000 1.684) 1.713 15.716 ( 2.042 0.000 -12.475) 12.641 15.773 ( -0.548 0.000 11.335) 11.349 ======================= Grid point 178 (91/104) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 8.314 0.000 11.426) 14.130 1.733 ( 1.880 0.000 4.130) 4.538 1.753 ( 2.666 0.000 -1.580) 3.099 1.858 ( 8.794 0.000 -12.800) 15.530 2.047 ( -8.190 0.000 -1.753) 8.375 2.255 ( -9.954 0.000 -1.830) 10.121 2.421 ( -5.304 0.000 -5.109) 7.365 2.459 ( -10.677 0.000 1.204) 10.745 2.837 ( 5.477 0.000 -2.933) 6.213 2.875 ( 4.604 0.000 -3.818) 5.981 2.967 ( -1.497 0.000 2.794) 3.170 3.074 ( -4.037 0.000 -0.263) 4.046 3.262 ( 9.319 0.000 11.162) 14.541 3.447 ( 10.315 0.000 -1.816) 10.474 3.588 ( 4.155 0.000 -5.761) 7.103 3.673 ( 0.038 0.000 13.177) 13.177 3.801 ( 2.198 0.000 -1.752) 2.811 3.918 ( -6.290 0.000 4.874) 7.957 3.935 ( 0.006 0.000 -9.977) 9.977 3.969 ( -3.651 0.000 -4.037) 5.443 4.193 ( -2.302 0.000 9.789) 10.056 4.296 ( -1.829 0.000 -6.486) 6.739 5.024 ( -1.577 0.000 -5.419) 5.644 5.192 ( -8.405 0.000 3.451) 9.086 5.642 ( -2.271 0.000 15.651) 15.815 5.683 ( 0.779 0.000 -7.897) 7.936 5.839 ( 4.540 0.000 -11.217) 12.101 5.948 ( -2.021 0.000 1.791) 2.700 6.327 ( 5.431 0.000 -0.501) 5.454 6.430 ( 1.369 0.000 -3.550) 3.804 6.560 ( 4.500 0.000 0.697) 4.554 6.664 ( 3.292 0.000 3.638) 4.906 6.665 ( -1.686 0.000 -4.315) 4.632 6.968 ( -2.252 0.000 3.180) 3.897 7.039 ( -2.765 0.000 6.455) 7.022 7.049 ( -1.934 0.000 -0.249) 1.950 7.398 ( 10.390 0.000 -2.283) 10.638 7.585 ( 5.325 0.000 -3.156) 6.190 7.883 ( -0.595 0.000 10.189) 10.207 7.979 ( 2.658 0.000 -7.464) 7.923 8.032 ( -2.123 0.000 -0.122) 2.126 8.132 ( -5.056 0.000 1.632) 5.313 8.197 ( -1.820 0.000 -3.999) 4.393 8.349 ( -5.880 0.000 -0.408) 5.894 8.791 ( -4.342 0.000 9.982) 10.885 8.847 ( -4.502 0.000 -7.365) 8.632 9.413 ( 2.360 0.000 6.221) 6.654 9.431 ( 3.949 0.000 -3.136) 5.043 12.199 ( 0.525 0.000 -1.501) 1.590 12.203 ( -0.008 0.000 1.375) 1.375 12.310 ( 3.099 0.000 -7.652) 8.256 12.325 ( -0.649 0.000 10.440) 10.461 12.838 ( -1.357 0.000 -0.252) 1.381 13.004 ( -8.142 0.000 0.463) 8.155 13.706 ( 6.068 0.000 8.192) 10.195 13.886 ( 2.653 0.000 -11.148) 11.460 14.451 ( -0.204 0.000 1.341) 1.357 14.499 ( -0.916 0.000 -0.615) 1.103 15.731 ( 3.539 0.000 -11.922) 12.436 15.786 ( -2.131 0.000 10.937) 11.142 ======================= Grid point 179 (92/104) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -11.315 0.000 -6.524) 13.061 1.753 ( 11.315 0.000 6.524) 13.061 1.778 ( -0.610 0.000 -4.877) 4.915 1.778 ( 0.610 0.000 4.877) 4.915 2.057 ( 9.279 0.000 -3.870) 10.053 2.057 ( -9.279 0.000 3.870) 10.053 2.338 ( 1.793 0.000 -9.366) 9.536 2.338 ( -1.793 0.000 9.366) 9.536 2.913 ( 1.800 0.000 -1.290) 2.214 2.913 ( -1.800 0.000 1.290) 2.214 2.982 ( 3.944 0.000 -1.858) 4.360 2.982 ( -3.944 0.000 1.858) 4.360 3.515 ( -9.076 0.000 -10.815) 14.118 3.515 ( 9.076 0.000 10.815) 14.118 3.638 ( 8.252 0.000 -9.002) 12.211 3.638 ( -8.252 0.000 9.002) 12.211 3.844 ( -3.784 0.000 -6.665) 7.665 3.844 ( 3.784 0.000 6.665) 7.665 3.892 ( -1.422 0.000 -2.379) 2.772 3.892 ( 1.422 0.000 2.379) 2.772 4.232 ( -1.808 0.000 -7.352) 7.571 4.232 ( 1.808 0.000 7.352) 7.571 5.055 ( 5.483 0.000 -3.974) 6.772 5.055 ( -5.483 0.000 3.974) 6.772 5.663 ( 1.068 0.000 -13.057) 13.101 5.663 ( -1.068 0.000 13.057) 13.101 5.892 ( 3.904 0.000 -6.407) 7.502 5.892 ( -3.904 0.000 6.407) 7.502 6.415 ( -2.326 0.000 -1.307) 2.668 6.415 ( 2.326 0.000 1.307) 2.668 6.608 ( -1.490 0.000 -3.785) 4.067 6.608 ( 1.490 0.000 3.785) 4.067 6.849 ( 10.748 0.000 -4.663) 11.716 6.849 ( -10.748 0.000 4.663) 11.716 7.018 ( -0.387 0.000 -2.026) 2.063 7.018 ( 0.387 0.000 2.026) 2.063 7.579 ( -5.318 0.000 -1.921) 5.654 7.579 ( 5.318 0.000 1.921) 5.654 7.924 ( -1.643 0.000 -7.440) 7.619 7.924 ( 1.643 0.000 7.440) 7.619 8.059 ( 2.283 0.000 -2.952) 3.732 8.059 ( -2.283 0.000 2.952) 3.732 8.228 ( 5.701 0.000 -3.358) 6.617 8.228 ( -5.701 0.000 3.358) 6.617 8.775 ( 0.339 0.000 -8.629) 8.636 8.775 ( -0.339 0.000 8.629) 8.636 9.457 ( 0.179 0.000 -4.760) 4.763 9.457 ( -0.179 0.000 4.760) 4.763 12.204 ( 0.453 0.000 -1.687) 1.746 12.204 ( -0.453 0.000 1.687) 1.746 12.334 ( 2.088 0.000 -9.811) 10.031 12.334 ( -2.088 0.000 9.811) 10.031 12.869 ( -4.126 0.000 -1.270) 4.317 12.869 ( 4.126 0.000 1.270) 4.317 13.840 ( -2.783 0.000 -11.656) 11.983 13.840 ( 2.783 0.000 11.656) 11.983 14.470 ( -1.122 0.000 -2.261) 2.524 14.470 ( 1.122 0.000 2.261) 2.524 15.766 ( 3.530 0.000 -11.225) 11.767 15.766 ( -3.530 0.000 11.225) 11.767 ======================= Grid point 183 (93/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 9.008 5.188 -12.318) 16.118 1.585 ( -9.008 5.188 12.318) 16.118 1.725 ( 2.130 4.812 -14.353) 15.287 1.725 ( -2.130 4.812 14.353) 15.287 2.274 ( -3.071 -2.961 0.614) 4.310 2.274 ( 3.071 -2.961 -0.614) 4.310 2.778 ( -4.619 2.048 -6.793) 8.466 2.778 ( 4.619 2.048 6.793) 8.466 2.833 ( -5.792 2.068 -4.454) 7.594 2.833 ( 5.792 2.068 4.454) 7.594 2.902 ( -0.452 0.138 -4.443) 4.468 2.902 ( 0.452 0.138 4.443) 4.468 3.129 ( -4.238 -4.603 -4.839) 7.910 3.129 ( 4.238 -4.603 4.839) 7.910 3.557 ( 5.746 -7.291 -2.572) 9.633 3.557 ( -5.746 -7.291 2.572) 9.633 3.684 ( 3.877 2.689 -12.627) 13.480 3.684 ( -3.877 2.689 12.627) 13.480 4.110 ( 0.233 2.230 -5.781) 6.201 4.110 ( -0.233 2.230 5.781) 6.201 4.409 ( 1.207 6.685 -8.101) 10.572 4.409 ( -1.207 6.685 8.101) 10.572 5.327 ( -6.893 -5.022 -2.896) 9.007 5.327 ( 6.893 -5.022 2.896) 9.007 5.609 ( -5.515 -5.354 -0.728) 7.721 5.609 ( 5.515 -5.354 0.728) 7.721 5.713 ( 1.558 -0.801 -8.886) 9.057 5.713 ( -1.558 -0.801 8.886) 9.057 6.335 ( -0.583 -2.520 -3.066) 4.011 6.335 ( 0.583 -2.520 3.066) 4.011 6.514 ( -2.094 1.429 -2.879) 3.836 6.514 ( 2.094 1.429 2.879) 3.836 6.833 ( -3.156 -0.004 -2.387) 3.957 6.833 ( 3.156 -0.004 2.387) 3.957 7.098 ( 5.901 -1.035 -2.268) 6.406 7.098 ( -5.901 -1.035 2.268) 6.406 7.342 ( -2.158 8.215 -3.083) 9.036 7.342 ( 2.158 8.215 3.083) 9.036 7.903 ( 3.520 2.608 -11.073) 11.908 7.903 ( -3.520 2.608 11.073) 11.908 8.172 ( -1.273 -2.287 -1.784) 3.168 8.172 ( 1.273 -2.287 1.784) 3.168 8.423 ( -3.188 0.938 -1.313) 3.573 8.423 ( 3.188 0.938 1.313) 3.573 9.042 ( -4.367 -3.244 -3.667) 6.560 9.042 ( 4.367 -3.244 3.667) 6.560 9.212 ( -5.293 1.251 -5.590) 7.799 9.212 ( 5.293 1.251 5.590) 7.799 12.186 ( 0.254 -0.713 -0.385) 0.849 12.186 ( -0.254 -0.713 0.385) 0.849 12.237 ( 0.680 -2.459 -6.681) 7.152 12.237 ( -0.680 -2.459 6.681) 7.152 13.085 ( -5.433 0.824 -4.126) 6.871 13.085 ( 5.433 0.824 4.126) 6.871 13.600 ( -2.493 -4.475 -1.237) 5.270 13.600 ( 2.493 -4.475 1.237) 5.270 14.593 ( 1.341 7.962 -4.928) 9.459 14.593 ( -1.341 7.962 4.928) 9.459 15.738 ( 0.385 -0.014 -11.249) 11.256 15.738 ( -0.385 -0.014 11.249) 11.256 ======================= Grid point 185 (94/104) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -4.365 7.485 11.010) 14.010 1.682 ( 2.993 1.437 -8.650) 9.265 1.753 ( 5.892 3.203 0.475) 6.724 1.776 ( 2.937 5.575 -3.583) 7.249 2.175 ( -4.606 -1.016 -0.366) 4.731 2.376 ( 2.422 -2.947 -2.222) 4.415 2.581 ( -9.760 2.514 -2.897) 10.487 2.693 ( -7.142 1.132 -3.869) 8.202 2.782 ( -4.170 -2.537 -4.011) 6.318 2.832 ( 2.219 3.908 -2.738) 5.263 2.944 ( 2.600 -0.619 8.301) 8.721 3.054 ( 1.554 -2.015 -0.888) 2.695 3.106 ( 7.937 -0.962 3.315) 8.655 3.251 ( 4.214 -1.586 3.221) 5.536 3.461 ( -1.615 -7.087 2.299) 7.624 3.665 ( 1.316 2.098 13.103) 13.335 3.713 ( 5.225 -7.169 -2.944) 9.347 3.749 ( 5.011 2.252 -10.050) 11.453 4.049 ( -3.264 0.900 -1.876) 3.871 4.120 ( -1.692 3.482 0.418) 3.894 4.356 ( -2.954 7.465 0.434) 8.040 4.407 ( -1.860 6.112 0.170) 6.391 5.140 ( -7.562 -2.190 -5.549) 9.632 5.339 ( -6.244 -1.687 2.490) 6.931 5.564 ( 0.187 -5.313 4.811) 7.170 5.686 ( -0.635 -3.165 6.527) 7.281 5.731 ( 3.728 -4.417 -9.081) 10.764 5.799 ( 7.354 -4.507 -3.156) 9.184 6.269 ( -2.590 -1.407 1.067) 3.135 6.382 ( 2.489 -2.405 1.500) 3.772 6.450 ( 0.514 0.169 -1.630) 1.718 6.668 ( 5.864 1.629 -2.125) 6.447 6.733 ( -4.259 1.588 -0.496) 4.573 6.889 ( 0.214 -4.208 1.137) 4.364 7.017 ( -1.852 -0.216 3.909) 4.331 7.252 ( 8.715 2.264 -2.113) 9.249 7.271 ( -2.577 8.975 0.184) 9.339 7.460 ( 6.549 4.255 0.427) 7.821 7.856 ( -2.863 -0.229 7.337) 7.879 7.969 ( 4.092 3.679 -5.231) 7.592 8.076 ( -5.982 -2.512 -1.559) 6.672 8.167 ( -2.213 -3.020 -0.011) 3.744 8.334 ( -3.137 2.762 -2.242) 4.743 8.475 ( -0.562 2.114 0.025) 2.187 8.875 ( -6.605 -1.079 4.250) 7.928 9.035 ( -7.490 2.693 -2.949) 8.488 9.230 ( 7.114 -4.803 1.906) 8.793 9.350 ( 5.041 0.222 2.161) 5.490 12.184 ( 0.263 -0.752 0.172) 0.815 12.199 ( 0.630 -0.109 0.010) 0.640 12.237 ( 1.668 -3.020 -5.592) 6.570 12.254 ( -0.215 -3.087 7.303) 7.931 12.946 ( -5.510 2.267 -0.396) 5.972 13.154 ( -2.762 0.643 3.473) 4.484 13.534 ( 1.761 -3.676 0.496) 4.106 13.730 ( 6.158 -6.617 -6.123) 10.918 14.548 ( -2.256 7.275 2.777) 8.107 14.620 ( 0.657 8.591 -1.805) 8.803 15.719 ( 1.973 0.213 -11.327) 11.500 15.773 ( -0.363 -0.078 10.382) 10.389 ======================= Grid point 186 (95/104) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 6.059 4.580 9.339) 12.037 1.728 ( 4.196 0.540 -6.329) 7.612 1.786 ( -1.034 3.003 6.169) 6.938 1.920 ( 9.271 4.206 -10.158) 14.381 2.041 ( -7.826 -0.300 -1.836) 8.044 2.291 ( -7.341 2.401 -4.604) 8.992 2.404 ( -7.156 1.189 2.976) 7.841 2.506 ( -8.623 3.077 -2.160) 9.407 2.754 ( 2.871 -5.421 -1.425) 6.298 2.922 ( 2.702 -0.782 -0.943) 2.967 2.959 ( 0.778 1.331 -6.279) 6.466 3.062 ( -1.998 -1.507 8.739) 9.090 3.275 ( 6.622 0.972 5.058) 8.389 3.389 ( 9.672 -3.682 1.806) 10.506 3.505 ( 2.567 -5.749 -0.144) 6.297 3.745 ( 0.492 5.045 2.037) 5.463 3.762 ( -0.712 -6.172 3.013) 6.905 3.813 ( 5.461 -0.970 -2.839) 6.231 3.970 ( -3.580 0.301 -3.016) 4.691 4.044 ( -4.325 4.670 -3.255) 7.149 4.311 ( -2.127 8.596 5.265) 10.302 4.352 ( -2.170 5.688 -2.661) 6.644 5.023 ( -1.293 -0.224 -5.581) 5.733 5.185 ( -8.287 -0.746 2.822) 8.786 5.600 ( 1.150 -2.982 5.709) 6.543 5.675 ( -1.629 -2.060 2.792) 3.833 5.784 ( 4.117 -5.096 -9.707) 11.711 5.866 ( -0.817 -6.793 1.389) 6.981 6.304 ( 5.063 -1.706 -0.626) 5.379 6.428 ( 0.969 -0.409 -2.341) 2.567 6.506 ( 5.069 -3.741 0.320) 6.308 6.660 ( -2.722 0.158 -1.601) 3.161 6.706 ( 0.262 1.641 1.118) 2.003 6.882 ( -2.441 -4.666 1.159) 5.392 7.027 ( 1.859 2.068 2.824) 3.964 7.207 ( -4.317 8.422 1.053) 9.522 7.439 ( 9.386 2.246 -1.366) 9.747 7.590 ( 4.890 1.280 -0.314) 5.064 7.843 ( -1.034 -3.069 7.177) 7.874 7.919 ( -5.554 -5.369 -2.468) 8.110 8.028 ( 0.059 0.185 -1.431) 1.444 8.136 ( -0.524 2.945 -2.305) 3.776 8.262 ( -1.316 3.569 -3.427) 5.119 8.420 ( -3.876 5.193 0.881) 6.539 8.807 ( -2.343 1.450 5.360) 6.027 8.885 ( -5.368 3.201 -3.171) 7.008 9.359 ( 4.251 -4.100 3.247) 6.739 9.427 ( 1.884 -1.408 -0.204) 2.361 12.194 ( 0.660 -0.343 -0.496) 0.894 12.207 ( 0.027 0.178 0.617) 0.643 12.260 ( 2.364 -4.073 -6.491) 8.020 12.274 ( -0.726 -4.004 8.155) 9.114 12.877 ( -1.138 3.407 1.813) 4.023 13.036 ( -6.836 2.556 -1.248) 7.404 13.638 ( 5.114 -5.601 6.263) 9.836 13.789 ( 2.091 -7.883 -9.740) 12.704 14.534 ( -0.090 7.412 4.016) 8.430 14.607 ( -1.050 8.375 -2.581) 8.826 15.737 ( 3.441 0.409 -11.091) 11.620 15.788 ( -1.891 0.068 10.255) 10.428 ======================= Grid point 187 (96/104) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -4.764 -0.124 -3.289) 5.790 1.739 ( 4.764 -0.124 3.289) 5.790 1.807 ( -4.574 2.159 -4.813) 6.982 1.807 ( 4.574 2.159 4.813) 6.982 2.118 ( -5.455 4.010 -0.984) 6.842 2.118 ( 5.455 4.010 0.984) 6.842 2.362 ( -1.397 3.216 -7.832) 8.581 2.362 ( 1.397 3.216 7.832) 8.581 2.845 ( -4.491 -4.503 -3.270) 7.152 2.845 ( 4.491 -4.503 3.270) 7.152 3.024 ( 4.031 1.464 -7.308) 8.474 3.024 ( -4.031 1.464 7.308) 8.474 3.450 ( -6.689 -5.186 -3.253) 9.068 3.450 ( 6.689 -5.186 3.253) 9.068 3.605 ( -5.719 -1.390 -6.316) 8.633 3.605 ( 5.719 -1.390 6.316) 8.633 3.856 ( -5.264 -0.296 -1.825) 5.579 3.856 ( 5.264 -0.296 1.825) 5.579 3.936 ( -1.596 3.984 -9.162) 10.117 3.936 ( 1.596 3.984 9.162) 10.117 4.313 ( 0.502 7.127 -8.363) 10.999 4.313 ( -0.502 7.127 8.363) 10.999 5.050 ( 4.422 -0.381 -3.908) 5.914 5.050 ( -4.422 -0.381 3.908) 5.914 5.644 ( 1.512 -2.134 -10.978) 11.286 5.644 ( -1.512 -2.134 10.978) 11.286 5.829 ( 3.021 -5.570 -7.067) 9.491 5.829 ( -3.021 -5.570 7.067) 9.491 6.399 ( -2.643 -1.183 -1.306) 3.176 6.399 ( 2.643 -1.183 1.306) 3.176 6.597 ( -2.942 -1.339 -1.216) 3.453 6.597 ( 2.942 -1.339 1.216) 3.453 6.782 ( -6.056 -3.730 0.185) 7.115 6.782 ( 6.056 -3.730 -0.185) 7.115 7.107 ( -3.464 6.215 -1.806) 7.341 7.107 ( 3.464 6.215 1.806) 7.341 7.597 ( -0.635 1.152 -4.652) 4.834 7.597 ( 0.635 1.152 4.652) 4.834 7.849 ( 0.386 -5.809 -7.018) 9.118 7.849 ( -0.386 -5.809 7.018) 9.118 8.057 ( 1.976 0.871 -5.045) 5.488 8.057 ( -1.976 0.871 5.045) 5.488 8.325 ( 3.879 6.896 -4.315) 9.012 8.325 ( -3.879 6.896 4.315) 9.012 8.806 ( 0.715 2.785 -9.120) 9.563 8.806 ( -0.715 2.785 9.120) 9.563 9.427 ( 0.036 -2.825 -5.363) 6.061 9.427 ( -0.036 -2.825 5.363) 6.061 12.205 ( 0.470 0.024 -1.319) 1.401 12.205 ( -0.470 0.024 1.319) 1.401 12.278 ( 1.785 -4.470 -8.211) 9.518 12.278 ( -1.785 -4.470 8.211) 9.518 12.913 ( -3.538 3.661 -3.079) 5.950 12.913 ( 3.538 3.661 3.079) 5.950 13.748 ( -1.637 -7.416 -11.221) 13.550 13.748 ( 1.637 -7.416 11.221) 13.550 14.566 ( -1.283 7.855 -4.078) 8.943 14.566 ( 1.283 7.855 4.078) 8.943 15.770 ( 3.312 0.322 -10.621) 11.130 15.770 ( -3.312 0.322 10.621) 11.130 ======================= Grid point 191 (97/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 3.083 7.604 -10.713) 13.494 1.729 ( -3.083 7.604 10.713) 13.494 1.860 ( 0.011 7.518 -11.823) 14.011 1.860 ( -0.011 7.518 11.823) 14.011 2.202 ( 1.009 -3.688 -0.490) 3.855 2.202 ( -1.009 -3.688 0.490) 3.855 2.739 ( -3.556 -3.307 -1.767) 5.167 2.739 ( 3.556 -3.307 1.767) 5.167 2.848 ( -0.440 -0.991 -3.688) 3.844 2.848 ( 0.440 -0.991 3.688) 3.844 2.966 ( -2.189 -0.717 -0.012) 2.304 2.966 ( 2.189 -0.717 0.012) 2.304 3.065 ( -4.702 2.923 -3.520) 6.561 3.065 ( 4.702 2.923 3.520) 6.561 3.376 ( -5.090 -8.080 -1.720) 9.703 3.376 ( 5.090 -8.080 1.720) 9.703 3.799 ( 3.785 7.208 -13.678) 15.917 3.799 ( -3.785 7.208 13.678) 15.917 4.131 ( 1.074 -0.434 -5.373) 5.496 4.131 ( -1.074 -0.434 5.373) 5.496 4.571 ( -0.457 7.900 -7.580) 10.958 4.571 ( 0.457 7.900 7.580) 10.958 5.196 ( -4.627 -7.251 -4.670) 9.788 5.196 ( 4.627 -7.251 4.670) 9.788 5.497 ( -3.281 -3.991 -3.617) 6.307 5.497 ( 3.281 -3.991 3.617) 6.307 5.670 ( 1.325 -3.225 -6.737) 7.586 5.670 ( -1.325 -3.225 6.737) 7.586 6.281 ( -1.283 -2.288 -2.066) 3.339 6.281 ( 1.283 -2.288 2.066) 3.339 6.528 ( -1.644 -0.632 -1.992) 2.659 6.528 ( 1.644 -0.632 1.992) 2.659 6.811 ( -2.716 -0.275 -0.793) 2.843 6.811 ( 2.716 -0.275 0.793) 2.843 7.072 ( 5.962 -2.661 -2.795) 7.102 7.072 ( -5.962 -2.661 2.795) 7.102 7.564 ( -0.728 11.616 -6.640) 13.400 7.564 ( 0.728 11.616 6.640) 13.400 7.974 ( 5.137 3.640 -10.805) 12.506 7.974 ( -5.137 3.640 10.805) 12.506 8.130 ( -0.161 -1.447 -3.431) 3.727 8.130 ( 0.161 -1.447 3.431) 3.727 8.433 ( -2.972 0.013 -1.589) 3.370 8.433 ( 2.972 0.013 1.589) 3.370 8.970 ( -4.474 -3.230 -3.804) 6.702 8.970 ( 4.474 -3.230 3.804) 6.702 9.221 ( -3.980 -0.467 -4.383) 5.939 9.221 ( 3.980 -0.467 4.383) 5.939 12.147 ( 0.395 -2.530 -2.510) 3.585 12.147 ( -0.395 -2.530 2.510) 3.585 12.202 ( 0.522 -0.707 -2.519) 2.668 12.202 ( -0.522 -0.707 2.519) 2.668 13.115 ( -3.004 1.960 -1.278) 3.808 13.115 ( 3.004 1.960 1.278) 3.808 13.487 ( -2.693 -5.623 -1.351) 6.379 13.487 ( 2.693 -5.623 1.351) 6.379 14.789 ( 2.122 9.349 -4.749) 10.699 14.789 ( -2.122 9.349 4.749) 10.699 15.730 ( 0.287 -0.778 -8.365) 8.406 15.730 ( -0.287 -0.778 8.365) 8.406 ======================= Grid point 193 (98/104) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -4.539 10.166 7.653) 13.510 1.746 ( 1.899 4.459 -15.381) 16.126 1.837 ( 3.339 4.292 5.059) 7.428 1.917 ( 0.928 6.690 -0.697) 6.790 2.152 ( -2.492 -0.953 -0.556) 2.726 2.301 ( 4.328 -4.345 1.388) 6.288 2.611 ( -6.751 0.247 -3.371) 7.550 2.704 ( -6.692 -0.138 -4.544) 8.090 2.748 ( -5.081 1.296 -3.217) 6.152 2.841 ( 0.224 -4.893 4.427) 6.602 2.944 ( 0.740 -4.700 -4.211) 6.354 2.985 ( 0.851 2.336 6.214) 6.693 3.154 ( 8.598 3.782 2.915) 9.835 3.232 ( 4.638 -0.576 1.599) 4.939 3.296 ( 1.435 -6.922 0.507) 7.088 3.512 ( 6.157 -7.650 2.023) 10.026 3.786 ( -0.391 5.620 7.329) 9.244 3.847 ( 3.445 6.767 -8.153) 11.142 4.053 ( -4.414 -0.820 0.913) 4.582 4.159 ( -0.194 0.308 -1.813) 1.849 4.521 ( -1.183 8.021 -7.119) 10.790 4.582 ( -2.168 9.200 7.611) 12.135 5.081 ( -3.973 -3.600 -6.070) 8.099 5.253 ( -1.783 -6.730 0.571) 6.986 5.459 ( 1.218 -4.208 3.582) 5.659 5.568 ( 0.916 -5.003 7.667) 9.200 5.628 ( -1.183 -5.257 -1.696) 5.649 5.709 ( 2.397 -4.360 -5.620) 7.506 6.238 ( -1.353 -1.202 1.022) 2.079 6.317 ( 1.635 -3.110 3.854) 5.216 6.466 ( -0.182 1.000 -2.971) 3.140 6.651 ( 3.477 -3.519 -2.084) 5.368 6.748 ( -0.705 0.797 -1.286) 1.669 6.857 ( 0.323 1.056 -0.710) 1.313 7.001 ( -0.615 -1.318 2.678) 3.047 7.209 ( 7.457 -4.504 -3.933) 9.558 7.504 ( -2.097 10.495 -1.168) 10.766 7.634 ( 2.315 10.679 5.472) 12.220 7.853 ( -6.819 -0.386 5.943) 9.053 8.022 ( -4.563 2.324 -3.250) 6.066 8.059 ( -4.002 -1.267 1.823) 4.576 8.149 ( 5.461 2.494 -4.422) 7.457 8.375 ( -2.417 1.040 -2.648) 3.733 8.501 ( 1.553 -0.211 1.504) 2.172 8.861 ( -2.372 0.115 -0.254) 2.388 9.088 ( -5.127 0.751 -3.168) 6.074 9.124 ( 5.678 -3.550 3.935) 7.767 9.324 ( 3.266 -2.604 2.401) 4.818 12.145 ( 0.327 -2.952 -0.226) 2.979 12.159 ( 0.607 -2.822 -0.164) 2.891 12.203 ( -0.213 -0.762 2.343) 2.473 12.208 ( 0.648 -0.497 -1.154) 1.413 13.014 ( -4.359 4.036 2.238) 6.348 13.168 ( -1.159 0.529 0.653) 1.432 13.447 ( 1.338 -3.999 -1.829) 4.597 13.567 ( 3.723 -7.965 -3.812) 9.583 14.740 ( -2.741 9.658 4.453) 10.983 14.814 ( 0.441 8.542 -2.495) 8.910 15.720 ( 1.829 -0.180 -8.032) 8.239 15.763 ( 0.252 -1.002 7.180) 7.254 ======================= Grid point 194 (99/104) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 2.235 7.159 3.322) 8.203 1.771 ( 4.030 3.180 -7.423) 9.025 1.855 ( -3.773 2.839 7.799) 9.117 2.005 ( 8.020 2.589 -4.285) 9.454 2.043 ( -7.035 1.674 -6.664) 9.834 2.303 ( -5.258 -1.570 4.055) 6.823 2.490 ( -3.393 5.470 -0.309) 6.444 2.610 ( -6.119 4.279 -3.732) 8.347 2.640 ( 2.409 -1.689 0.085) 2.943 2.839 ( -2.426 -6.054 -3.296) 7.308 2.962 ( 2.617 -2.583 -0.700) 3.743 3.024 ( -0.155 -1.380 5.969) 6.128 3.272 ( 3.473 -1.078 -0.322) 3.650 3.341 ( 6.353 -0.968 3.041) 7.110 3.418 ( 6.117 -2.055 1.412) 6.606 3.616 ( 1.459 -6.594 5.790) 8.896 3.820 ( 2.729 2.311 -9.729) 10.366 3.878 ( 1.432 5.542 5.431) 7.891 3.971 ( -3.410 -0.195 0.307) 3.430 4.110 ( -3.407 1.386 -3.253) 4.910 4.493 ( 1.183 9.194 -7.193) 11.733 4.547 ( -3.611 10.876 8.700) 14.389 5.010 ( -0.448 -1.062 -4.755) 4.892 5.156 ( -6.202 -2.359 0.427) 6.649 5.526 ( 2.596 -3.995 1.399) 4.965 5.581 ( -2.483 -6.062 9.744) 11.742 5.630 ( 2.259 -8.424 -1.940) 8.934 5.715 ( 0.154 -6.463 -6.174) 8.940 6.274 ( 4.407 -0.769 0.236) 4.480 6.388 ( 3.520 -3.359 2.031) 5.272 6.462 ( 0.617 0.128 -2.740) 2.812 6.626 ( -3.442 -3.079 0.397) 4.635 6.750 ( -0.190 1.408 -0.613) 1.548 6.838 ( -2.149 1.574 -0.703) 2.755 7.064 ( 5.315 0.637 1.577) 5.580 7.296 ( 0.402 -3.116 -5.696) 6.505 7.493 ( 2.631 5.761 0.614) 6.363 7.688 ( -0.015 6.535 5.325) 8.430 7.746 ( -4.573 -3.737 6.318) 8.649 7.893 ( -5.139 1.807 -4.475) 7.050 8.001 ( -0.503 -1.290 0.333) 1.424 8.196 ( -4.785 -0.069 0.880) 4.865 8.354 ( 5.685 5.859 -5.778) 10.002 8.516 ( -0.484 3.066 1.136) 3.306 8.854 ( 0.888 3.070 -0.353) 3.216 8.969 ( -5.256 4.381 0.527) 6.862 9.253 ( 5.052 -5.498 2.212) 7.787 9.367 ( 0.225 -4.136 0.926) 4.245 12.157 ( 0.764 -3.852 -0.377) 3.945 12.168 ( 0.241 -3.458 -0.118) 3.469 12.209 ( 0.026 -0.459 1.817) 1.874 12.216 ( 0.352 -0.331 -0.531) 0.718 12.969 ( -0.858 4.988 3.583) 6.201 13.093 ( -4.399 2.487 -2.471) 5.625 13.507 ( 3.147 -6.038 2.585) 7.283 13.600 ( 1.164 -9.097 -6.641) 11.323 14.723 ( -0.412 9.288 4.898) 10.508 14.793 ( -1.283 8.124 -2.744) 8.670 15.743 ( 2.989 0.117 -8.267) 8.792 15.782 ( -1.037 -0.713 7.462) 7.568 ======================= Grid point 195 (100/104) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 6.464 2.846 -4.088) 8.161 1.769 ( -6.464 2.846 4.088) 8.161 1.862 ( -4.981 2.815 -5.415) 7.877 1.862 ( 4.981 2.815 5.415) 7.877 2.168 ( 8.044 0.762 -4.537) 9.266 2.168 ( -8.044 0.762 4.537) 9.266 2.493 ( -2.090 7.684 -5.622) 9.748 2.493 ( 2.090 7.684 5.622) 9.748 2.740 ( -3.906 -4.789 -5.365) 8.183 2.740 ( 3.906 -4.789 5.365) 8.183 3.013 ( 2.098 -2.351 -10.446) 10.911 3.013 ( -2.098 -2.351 10.446) 10.911 3.361 ( -2.572 -2.167 -1.315) 3.611 3.361 ( 2.572 -2.167 1.315) 3.611 3.568 ( -1.300 -2.835 -4.357) 5.358 3.568 ( 1.300 -2.835 4.357) 5.358 3.864 ( 3.493 1.209 -4.849) 6.097 3.864 ( -3.493 1.209 4.849) 6.097 4.004 ( -2.837 2.138 -8.843) 9.530 4.004 ( 2.837 2.138 8.843) 9.530 4.510 ( 2.933 10.770 -9.190) 14.459 4.510 ( -2.933 10.770 9.190) 14.459 5.041 ( 1.477 -0.558 -3.639) 3.967 5.041 ( -1.477 -0.558 3.639) 3.967 5.562 ( 2.513 -5.345 -10.098) 11.698 5.562 ( -2.513 -5.345 10.098) 11.698 5.679 ( 0.068 -7.761 -8.704) 11.662 5.679 ( -0.068 -7.761 8.704) 11.662 6.378 ( -2.998 -0.626 -1.437) 3.384 6.378 ( 2.998 -0.626 1.437) 3.384 6.533 ( -5.488 -3.993 1.449) 6.940 6.533 ( 5.488 -3.993 -1.449) 6.940 6.773 ( -1.708 2.639 -1.212) 3.369 6.773 ( 1.708 2.639 1.212) 3.369 7.199 ( -4.833 0.914 -4.514) 6.676 7.199 ( 4.833 0.914 4.514) 6.676 7.603 ( -1.401 -0.589 -3.407) 3.731 7.603 ( 1.401 -0.589 3.407) 3.731 7.784 ( -2.677 1.177 -9.033) 9.494 7.784 ( 2.677 1.177 9.033) 9.494 8.065 ( 1.549 -0.628 -7.776) 7.954 8.065 ( -1.549 -0.628 7.776) 7.954 8.470 ( 3.091 5.918 -3.523) 7.549 8.470 ( -3.091 5.918 3.523) 7.549 8.886 ( 1.913 4.707 -10.162) 11.362 8.886 ( -1.913 4.707 10.162) 11.362 9.341 ( 0.394 -5.177 -6.624) 8.416 9.341 ( -0.394 -5.177 6.624) 8.416 12.167 ( 0.821 -4.104 -4.653) 6.258 12.167 ( -0.821 -4.104 4.653) 6.258 12.216 ( -0.123 -0.198 -0.865) 0.896 12.216 ( 0.123 -0.198 0.865) 0.896 13.003 ( -2.656 4.462 -3.967) 6.534 13.003 ( 2.656 4.462 3.967) 6.534 13.572 ( -0.216 -8.379 -9.033) 12.322 13.572 ( 0.216 -8.379 9.033) 12.322 14.752 ( -1.131 8.547 -4.263) 9.618 14.752 ( 1.131 8.547 4.263) 9.618 15.773 ( 2.497 -0.185 -8.206) 8.580 15.773 ( -2.497 -0.185 8.206) 8.580 ======================= Grid point 199 (101/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.027 4.915 -6.371) 8.047 1.874 ( 0.027 4.915 6.371) 8.047 2.008 ( -3.129 5.124 -3.595) 6.998 2.008 ( 3.129 5.124 3.595) 6.998 2.120 ( -0.555 -3.585 -2.468) 4.387 2.120 ( 0.555 -3.585 2.468) 4.387 2.675 ( -1.203 -2.053 -1.291) 2.707 2.675 ( 1.203 -2.053 1.291) 2.707 2.835 ( 0.058 0.104 -3.096) 3.099 2.835 ( -0.058 0.104 3.096) 3.099 2.893 ( -4.486 -3.161 -0.536) 5.514 2.893 ( 4.486 -3.161 0.536) 5.514 3.153 ( -1.569 2.444 -6.885) 7.472 3.153 ( 1.569 2.444 6.885) 7.472 3.254 ( -3.080 -2.866 -6.447) 7.698 3.254 ( 3.080 -2.866 6.447) 7.698 3.963 ( 3.516 7.341 -10.597) 13.362 3.963 ( -3.516 7.341 10.597) 13.362 4.086 ( 2.869 -3.913 -6.634) 8.219 4.086 ( -2.869 -3.913 6.634) 8.219 4.730 ( -0.159 6.343 -4.013) 7.508 4.730 ( 0.159 6.343 4.013) 7.508 5.030 ( -1.677 -7.054 -2.015) 7.525 5.030 ( 1.677 -7.054 2.015) 7.525 5.461 ( -2.019 0.091 -1.838) 2.732 5.461 ( 2.019 0.091 1.838) 2.732 5.597 ( 1.039 -2.730 -2.639) 3.937 5.597 ( -1.039 -2.730 2.639) 3.937 6.246 ( -0.573 -0.872 -0.932) 1.399 6.246 ( 0.573 -0.872 0.932) 1.399 6.501 ( -0.244 -1.086 -0.744) 1.339 6.501 ( 0.244 -1.086 0.744) 1.339 6.845 ( -0.907 2.628 -0.690) 2.864 6.845 ( 0.907 2.628 0.690) 2.864 6.991 ( 3.209 -3.853 -1.930) 5.373 6.991 ( -3.209 -3.853 1.930) 5.373 7.774 ( -0.660 6.519 -5.425) 8.506 7.774 ( 0.660 6.519 5.425) 8.506 8.031 ( 5.044 1.223 -8.188) 9.694 8.031 ( -5.044 1.223 8.188) 9.694 8.105 ( 3.798 -0.961 -4.469) 5.943 8.105 ( -3.798 -0.961 4.469) 5.943 8.430 ( -1.245 -0.135 -0.626) 1.400 8.430 ( 1.245 -0.135 0.626) 1.400 8.918 ( -2.252 -1.377 -1.668) 3.123 8.918 ( 2.252 -1.377 1.668) 3.123 9.204 ( -1.608 -0.743 -1.891) 2.591 9.204 ( 1.608 -0.743 1.891) 2.591 12.107 ( 0.041 -1.006 -1.182) 1.552 12.107 ( -0.041 -1.006 1.182) 1.552 12.193 ( 0.240 -0.221 -0.621) 0.702 12.193 ( -0.240 -0.221 0.621) 0.702 13.160 ( 0.339 1.770 -0.299) 1.827 13.160 ( -0.339 1.770 0.299) 1.827 13.385 ( -1.167 -3.232 -0.822) 3.533 13.385 ( 1.167 -3.232 0.822) 3.533 14.945 ( 1.093 4.299 -1.997) 4.865 14.945 ( -1.093 4.299 1.997) 4.865 15.710 ( 0.137 -0.779 -3.272) 3.366 15.710 ( -0.137 -0.779 3.272) 3.366 ======================= Grid point 201 (102/104) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.134 5.334 -5.411) 7.600 1.875 ( -5.266 7.347 -2.353) 9.340 1.906 ( 0.619 1.229 2.587) 2.930 1.988 ( -2.670 -1.609 -1.087) 3.301 2.153 ( 1.464 1.564 1.216) 2.463 2.207 ( 3.814 -3.631 2.361) 5.771 2.614 ( -4.585 1.249 -1.355) 4.941 2.697 ( -2.127 -5.546 -0.234) 5.945 2.740 ( -2.513 2.741 0.227) 3.726 2.812 ( -2.550 -1.062 3.484) 4.446 2.860 ( 1.180 2.004 -2.431) 3.364 2.975 ( 2.378 -4.818 -6.763) 8.637 3.176 ( 4.660 -0.021 -0.266) 4.668 3.200 ( 3.932 -1.682 -6.111) 7.459 3.284 ( 4.120 3.912 8.959) 10.609 3.380 ( 5.135 -5.056 8.584) 11.208 3.912 ( -2.987 5.604 4.415) 7.734 3.994 ( -1.352 2.354 -1.523) 3.112 4.020 ( -0.656 1.614 -2.106) 2.733 4.127 ( 1.259 -3.561 -4.424) 5.817 4.697 ( -0.788 7.847 -2.391) 8.241 4.752 ( 0.205 5.018 0.988) 5.119 4.994 ( -0.769 -2.893 -1.961) 3.579 5.075 ( 1.435 -8.600 0.053) 8.719 5.412 ( -1.962 0.284 4.146) 4.595 5.473 ( -2.652 -4.781 7.593) 9.356 5.568 ( -0.346 0.765 -2.909) 3.028 5.622 ( 0.934 -3.625 -4.842) 6.120 6.229 ( -0.271 0.458 2.312) 2.373 6.259 ( 0.612 -2.263 3.620) 4.313 6.496 ( 1.018 2.086 -2.300) 3.268 6.561 ( 2.320 -4.049 -1.721) 4.973 6.790 ( -0.830 3.244 -0.996) 3.494 6.862 ( -0.820 -2.350 -0.859) 2.633 6.999 ( 4.010 2.640 -0.782) 4.864 7.095 ( 5.898 -5.531 -3.483) 8.804 7.690 ( -4.299 6.699 -1.902) 8.184 7.781 ( -3.160 -0.933 -1.783) 3.746 7.890 ( -6.201 6.592 11.813) 14.881 8.008 ( -5.007 -3.617 6.684) 9.101 8.103 ( -3.334 4.806 -3.494) 6.813 8.183 ( 3.898 -1.295 -3.309) 5.274 8.400 ( 0.195 2.152 -2.541) 3.336 8.463 ( 3.065 -2.984 -0.016) 4.277 8.895 ( 1.637 3.314 -2.917) 4.709 8.993 ( 3.734 -5.412 -3.033) 7.241 9.166 ( -1.529 3.529 3.267) 5.046 9.250 ( 1.103 -4.060 3.115) 5.234 12.101 ( -0.189 -0.834 -0.352) 0.925 12.110 ( -0.222 -1.561 1.165) 1.961 12.196 ( 0.424 0.045 0.158) 0.455 12.201 ( 0.706 -0.314 -0.654) 1.012 13.107 ( -2.905 4.250 2.670) 5.799 13.167 ( -1.468 -1.060 1.046) 2.091 13.385 ( 1.651 -1.269 -3.348) 3.943 13.421 ( 2.025 -4.915 -2.829) 6.022 14.912 ( -2.303 5.486 2.969) 6.650 14.943 ( -0.912 2.752 -0.497) 2.942 15.717 ( 1.652 0.138 -3.265) 3.662 15.734 ( 1.132 -1.397 2.047) 2.724 ======================= Grid point 202 (103/104) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.217 6.057 -4.637) 7.631 1.849 ( 0.932 3.563 0.668) 3.743 1.887 ( -2.449 0.617 0.745) 2.633 1.973 ( -0.034 -4.162 1.104) 4.306 2.143 ( -0.840 5.362 -4.467) 7.029 2.242 ( -1.861 -3.865 2.340) 4.887 2.538 ( -1.319 1.371 1.578) 2.471 2.608 ( -3.396 -2.259 -0.465) 4.105 2.740 ( 0.001 0.474 -0.561) 0.734 2.764 ( -2.386 3.370 0.796) 4.205 2.903 ( 2.436 -0.215 0.983) 2.635 2.975 ( 0.298 -3.784 -5.999) 7.099 3.270 ( 6.119 1.713 -3.391) 7.202 3.339 ( 7.646 -2.977 -1.164) 8.287 3.385 ( 2.283 2.464 5.826) 6.725 3.486 ( 1.069 -5.652 10.241) 11.746 3.881 ( -0.219 3.000 -1.096) 3.201 3.930 ( -3.020 -1.304 1.664) 3.686 4.017 ( -0.074 4.834 -2.322) 5.363 4.100 ( -2.266 -2.383 -3.950) 5.139 4.695 ( 1.799 8.671 -3.438) 9.499 4.751 ( -0.694 5.961 1.922) 6.301 4.984 ( 0.317 -0.368 -1.187) 1.282 5.066 ( -2.101 -5.924 -0.795) 6.336 5.432 ( 1.365 -3.508 7.959) 8.804 5.446 ( -1.819 -4.860 8.101) 9.620 5.538 ( -1.173 0.316 -4.719) 4.873 5.597 ( -1.094 -4.558 -7.095) 8.503 6.277 ( 4.150 1.124 1.663) 4.610 6.320 ( 4.020 -2.750 2.352) 5.408 6.487 ( -1.546 2.031 -1.630) 3.028 6.547 ( -3.108 -3.605 0.203) 4.764 6.800 ( 1.726 3.470 -1.118) 4.033 6.864 ( 0.731 -1.214 -1.339) 1.950 7.081 ( 3.866 2.473 -1.000) 4.697 7.178 ( 2.687 -5.938 -4.676) 8.021 7.609 ( -2.607 3.869 0.212) 4.671 7.668 ( -5.053 -2.391 0.024) 5.590 7.850 ( -2.856 6.142 10.177) 12.225 7.934 ( -4.550 -1.045 1.416) 4.878 8.011 ( -1.660 4.409 -2.376) 5.276 8.132 ( -5.633 -5.239 0.236) 7.696 8.475 ( 5.997 4.651 -3.039) 8.175 8.537 ( 2.935 -1.068 -0.149) 3.126 8.940 ( 3.363 4.969 -3.833) 7.120 9.031 ( 0.525 -1.102 -2.444) 2.732 9.171 ( 0.917 0.481 3.859) 3.995 9.260 ( -1.281 -5.531 3.054) 6.447 12.098 ( 0.125 -1.204 -0.546) 1.328 12.107 ( -0.466 -1.868 1.282) 2.313 12.208 ( 0.586 0.191 -0.056) 0.619 12.213 ( 0.505 -0.209 -0.335) 0.641 13.076 ( -0.972 4.543 3.178) 5.628 13.127 ( -2.084 0.113 -0.396) 2.124 13.408 ( 1.109 -2.503 -1.018) 2.921 13.436 ( 0.669 -5.319 -4.416) 6.945 14.887 ( -1.013 5.145 3.097) 6.090 14.915 ( -1.310 2.602 -0.523) 2.960 15.745 ( 1.970 0.248 -3.454) 3.984 15.760 ( 0.439 -1.129 2.297) 2.597 ======================= Grid point 203 (104/104) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 2.814 2.015 -3.744) 5.099 1.831 ( -2.814 2.015 3.744) 5.099 1.917 ( -4.025 1.997 -2.442) 5.114 1.917 ( 4.025 1.997 2.442) 5.114 2.170 ( 4.023 -0.226 -3.005) 5.026 2.170 ( -4.023 -0.226 3.005) 5.026 2.558 ( -1.557 -1.686 -2.056) 3.081 2.558 ( 1.557 -1.686 2.056) 3.081 2.737 ( 0.386 4.053 -1.034) 4.201 2.737 ( -0.386 4.053 1.034) 4.201 2.949 ( 0.276 -2.875 -7.140) 7.702 2.949 ( -0.276 -2.875 7.140) 7.702 3.373 ( 4.068 3.156 -6.145) 8.017 3.373 ( -4.068 3.156 6.145) 8.017 3.477 ( 5.162 -5.304 -8.969) 11.628 3.477 ( -5.162 -5.304 8.969) 11.628 3.893 ( 1.607 0.972 -3.012) 3.550 3.893 ( -1.607 0.972 3.012) 3.550 4.031 ( -1.553 0.506 -3.789) 4.126 4.031 ( 1.553 0.506 3.789) 4.126 4.732 ( 2.028 8.413 -6.565) 10.862 4.732 ( -2.028 8.413 6.565) 10.862 5.009 ( 0.161 -2.685 -3.007) 4.034 5.009 ( -0.161 -2.685 3.007) 4.034 5.461 ( 0.644 -2.705 -8.379) 8.828 5.461 ( -0.644 -2.705 8.379) 8.828 5.536 ( -1.578 -4.641 -6.510) 8.149 5.536 ( 1.578 -4.641 6.510) 8.149 6.375 ( -1.833 0.183 -0.912) 2.056 6.375 ( 1.833 0.183 0.912) 2.056 6.465 ( -1.313 -1.898 -0.288) 2.326 6.465 ( 1.313 -1.898 0.288) 2.326 6.844 ( -1.736 2.844 -0.818) 3.431 6.844 ( 1.736 2.844 0.818) 3.431 7.156 ( -2.826 -2.852 -2.469) 4.713 7.156 ( 2.826 -2.852 2.469) 4.713 7.601 ( -1.247 0.287 -0.914) 1.573 7.601 ( 1.247 0.287 0.914) 1.573 7.855 ( -0.831 3.493 -6.775) 7.667 7.855 ( 0.831 3.493 6.775) 7.667 8.032 ( 0.759 -1.820 -6.112) 6.422 8.032 ( -0.759 -1.820 6.112) 6.422 8.554 ( 0.880 1.903 -1.229) 2.430 8.554 ( -0.880 1.903 1.229) 2.430 8.998 ( 2.163 4.974 -7.892) 9.576 8.998 ( -2.163 4.974 7.892) 9.576 9.222 ( 1.178 -5.090 -6.196) 8.105 9.222 ( -1.178 -5.090 6.196) 8.105 12.101 ( 0.434 -1.695 -1.799) 2.510 12.101 ( -0.434 -1.695 1.799) 2.509 12.216 ( 0.024 0.042 -0.358) 0.362 12.216 ( -0.024 0.042 0.358) 0.362 13.088 ( -0.974 2.869 -2.491) 3.923 13.088 ( 0.974 2.869 2.491) 3.923 13.425 ( 0.210 -4.506 -4.247) 6.195 13.425 ( -0.210 -4.506 4.247) 6.195 14.891 ( -0.438 3.789 -1.931) 4.275 14.891 ( 0.438 3.789 1.931) 4.275 15.765 ( 0.954 -0.380 -3.248) 3.406 15.765 ( -0.954 -0.380 3.248) 3.406 =================== 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 3/20160 10.0 1791.536 2209.559 1621.111 0.000 -451.009 0.000 3/20160 20.0 213.737 327.155 245.389 0.000 -61.461 0.000 3/20160 30.0 83.315 130.880 98.243 0.000 -22.459 0.000 3/20160 40.0 46.622 72.513 54.828 0.000 -11.701 0.000 3/20160 50.0 30.530 46.989 35.900 0.000 -7.314 0.000 3/20160 60.0 21.899 33.472 25.848 0.000 -5.099 0.000 3/20160 70.0 16.726 25.456 19.848 0.000 -3.825 0.000 3/20160 80.0 13.381 20.309 15.967 0.000 -3.025 0.000 3/20160 90.0 11.088 16.796 13.299 0.000 -2.486 0.000 3/20160 100.0 9.441 14.279 11.375 0.000 -2.105 0.000 3/20160 110.0 8.211 12.403 9.932 0.000 -1.823 0.000 3/20160 120.0 7.262 10.959 8.815 0.000 -1.608 0.000 3/20160 130.0 6.510 9.816 7.928 0.000 -1.438 0.000 3/20160 140.0 5.901 8.891 7.207 0.000 -1.301 0.000 3/20160 150.0 5.398 8.129 6.610 0.000 -1.188 0.000 3/20160 160.0 4.976 7.490 6.108 0.000 -1.094 0.000 3/20160 170.0 4.617 6.947 5.679 0.000 -1.014 0.000 3/20160 180.0 4.308 6.480 5.309 0.000 -0.945 0.000 3/20160 190.0 4.039 6.073 4.987 0.000 -0.885 0.000 3/20160 200.0 3.802 5.717 4.703 0.000 -0.832 0.000 3/20160 210.0 3.593 5.401 4.451 0.000 -0.786 0.000 3/20160 220.0 3.406 5.120 4.226 0.000 -0.745 0.000 3/20160 230.0 3.239 4.867 4.023 0.000 -0.708 0.000 3/20160 240.0 3.087 4.639 3.840 0.000 -0.674 0.000 3/20160 250.0 2.950 4.432 3.673 0.000 -0.644 0.000 3/20160 260.0 2.824 4.244 3.521 0.000 -0.616 0.000 3/20160 270.0 2.710 4.071 3.381 0.000 -0.591 0.000 3/20160 280.0 2.604 3.913 3.252 0.000 -0.567 0.000 3/20160 290.0 2.507 3.766 3.133 0.000 -0.546 0.000 3/20160 300.0 2.416 3.631 3.023 0.000 -0.526 0.000 3/20160 310.0 2.333 3.505 2.920 0.000 -0.508 0.000 3/20160 320.0 2.255 3.388 2.825 0.000 -0.491 0.000 3/20160 330.0 2.182 3.278 2.735 0.000 -0.475 0.000 3/20160 340.0 2.114 3.176 2.651 0.000 -0.460 0.000 3/20160 350.0 2.050 3.080 2.573 0.000 -0.446 0.000 3/20160 360.0 1.990 2.990 2.498 0.000 -0.433 0.000 3/20160 370.0 1.933 2.905 2.429 0.000 -0.420 0.000 3/20160 380.0 1.880 2.824 2.363 0.000 -0.408 0.000 3/20160 390.0 1.829 2.749 2.300 0.000 -0.397 0.000 3/20160 400.0 1.781 2.677 2.241 0.000 -0.387 0.000 3/20160 410.0 1.736 2.609 2.185 0.000 -0.377 0.000 3/20160 420.0 1.693 2.544 2.131 0.000 -0.368 0.000 3/20160 430.0 1.652 2.483 2.081 0.000 -0.359 0.000 3/20160 440.0 1.613 2.424 2.032 0.000 -0.350 0.000 3/20160 450.0 1.576 2.369 1.986 0.000 -0.342 0.000 3/20160 460.0 1.541 2.315 1.942 0.000 -0.334 0.000 3/20160 470.0 1.507 2.265 1.900 0.000 -0.327 0.000 3/20160 480.0 1.475 2.216 1.860 0.000 -0.320 0.000 3/20160 490.0 1.444 2.169 1.821 0.000 -0.313 0.000 3/20160 500.0 1.414 2.125 1.784 0.000 -0.307 0.000 3/20160 510.0 1.385 2.082 1.748 0.000 -0.300 0.000 3/20160 520.0 1.358 2.041 1.714 0.000 -0.294 0.000 3/20160 530.0 1.332 2.002 1.681 0.000 -0.289 0.000 3/20160 540.0 1.307 1.964 1.650 0.000 -0.283 0.000 3/20160 550.0 1.282 1.927 1.619 0.000 -0.278 0.000 3/20160 560.0 1.259 1.892 1.590 0.000 -0.273 0.000 3/20160 570.0 1.236 1.858 1.562 0.000 -0.268 0.000 3/20160 580.0 1.214 1.825 1.534 0.000 -0.263 0.000 3/20160 590.0 1.193 1.794 1.508 0.000 -0.259 0.000 3/20160 600.0 1.173 1.763 1.483 0.000 -0.254 0.000 3/20160 610.0 1.154 1.734 1.458 0.000 -0.250 0.000 3/20160 620.0 1.135 1.705 1.434 0.000 -0.246 0.000 3/20160 630.0 1.116 1.678 1.411 0.000 -0.242 0.000 3/20160 640.0 1.099 1.651 1.389 0.000 -0.238 0.000 3/20160 650.0 1.081 1.625 1.368 0.000 -0.234 0.000 3/20160 660.0 1.065 1.600 1.347 0.000 -0.231 0.000 3/20160 670.0 1.049 1.576 1.326 0.000 -0.227 0.000 3/20160 680.0 1.033 1.553 1.307 0.000 -0.224 0.000 3/20160 690.0 1.018 1.530 1.288 0.000 -0.220 0.000 3/20160 700.0 1.003 1.508 1.269 0.000 -0.217 0.000 3/20160 710.0 0.989 1.486 1.251 0.000 -0.214 0.000 3/20160 720.0 0.975 1.465 1.234 0.000 -0.211 0.000 3/20160 730.0 0.961 1.445 1.217 0.000 -0.208 0.000 3/20160 740.0 0.948 1.425 1.200 0.000 -0.205 0.000 3/20160 750.0 0.935 1.406 1.184 0.000 -0.203 0.000 3/20160 760.0 0.923 1.387 1.168 0.000 -0.200 0.000 3/20160 770.0 0.911 1.369 1.153 0.000 -0.197 0.000 3/20160 780.0 0.899 1.351 1.138 0.000 -0.195 0.000 3/20160 790.0 0.887 1.334 1.124 0.000 -0.192 0.000 3/20160 800.0 0.876 1.317 1.109 0.000 -0.190 0.000 3/20160 810.0 0.865 1.301 1.096 0.000 -0.187 0.000 3/20160 820.0 0.855 1.285 1.082 0.000 -0.185 0.000 3/20160 830.0 0.844 1.269 1.069 0.000 -0.183 0.000 3/20160 840.0 0.834 1.254 1.056 0.000 -0.181 0.000 3/20160 850.0 0.824 1.239 1.044 0.000 -0.178 0.000 3/20160 860.0 0.815 1.224 1.032 0.000 -0.176 0.000 3/20160 870.0 0.805 1.210 1.020 0.000 -0.174 0.000 3/20160 880.0 0.796 1.196 1.008 0.000 -0.172 0.000 3/20160 890.0 0.787 1.183 0.997 0.000 -0.170 0.000 3/20160 900.0 0.778 1.170 0.986 0.000 -0.168 0.000 3/20160 910.0 0.769 1.157 0.975 0.000 -0.167 0.000 3/20160 920.0 0.761 1.144 0.964 0.000 -0.165 0.000 3/20160 930.0 0.753 1.132 0.954 0.000 -0.163 0.000 3/20160 940.0 0.745 1.119 0.943 0.000 -0.161 0.000 3/20160 950.0 0.737 1.108 0.934 0.000 -0.159 0.000 3/20160 960.0 0.729 1.096 0.924 0.000 -0.158 0.000 3/20160 970.0 0.721 1.085 0.914 0.000 -0.156 0.000 3/20160 980.0 0.714 1.073 0.905 0.000 -0.155 0.000 3/20160 990.0 0.707 1.062 0.896 0.000 -0.153 0.000 3/20160 1000.0 0.700 1.052 0.887 0.000 -0.151 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m678.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:03:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|