----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:26:03]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.739127563047778 0.000000000000000 0.000000000000000 b -2.369563781523889 4.104204861374415 0.000000000000000 c 0.000000000000000 0.000000000000000 12.051696050000000 Atomic positions (fractional): *1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 2 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 *3 P 0.33333333333333 0.66666666666667 0.88016842402179 30.974 4 P 0.66666666666667 0.33333333333333 0.11983157597821 30.974 5 P 0.66666666666667 0.33333333333333 0.38016842402179 30.974 6 P 0.33333333333333 0.66666666666667 0.61983157597821 30.974 *7 O 0.73472479504820 0.67080733708126 0.08610298426990 15.999 8 O 0.32919266291874 0.06391745796694 0.08610298426990 15.999 9 O 0.26527520495180 0.32919266291874 0.58610298426991 15.999 10 O 0.67080733708126 0.93608254203306 0.91389701573009 15.999 *11 O 0.33333333333333 0.66666666666667 0.75000000000000 15.999 12 O 0.06391745796694 0.73472479504820 0.58610298426991 15.999 13 O 0.32919266291874 0.06391745796694 0.41389701573010 15.999 14 O 0.06391745796694 0.73472479504820 0.91389701573009 15.999 15 O 0.93608254203306 0.26527520495180 0.08610298426990 15.999 16 O 0.67080733708126 0.93608254203306 0.58610298426991 15.999 17 O 0.73472479504820 0.67080733708126 0.41389701573010 15.999 18 O 0.93608254203306 0.26527520495180 0.41389701573010 15.999 19 O 0.26527520495180 0.32919266291874 0.91389701573009 15.999 20 O 0.66666666666667 0.33333333333333 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.739127563047778 0.000000000000000 0.000000000000000 b -2.369563781523889 4.104204861374415 0.000000000000000 c 0.000000000000000 0.000000000000000 12.051696050000000 Atomic positions (fractional): *1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 1 2 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 2 *3 P 0.33333333333333 0.66666666666667 0.88016842402179 30.974 > 3 4 P 0.66666666666667 0.33333333333333 0.11983157597821 30.974 > 4 5 P 0.66666666666667 0.33333333333333 0.38016842402179 30.974 > 5 6 P 0.33333333333333 0.66666666666667 0.61983157597821 30.974 > 6 *7 O 0.73472479504820 0.67080733708126 0.08610298426990 15.999 > 7 8 O 0.32919266291874 0.06391745796694 0.08610298426990 15.999 > 8 9 O 0.26527520495180 0.32919266291874 0.58610298426991 15.999 > 9 10 O 0.67080733708126 0.93608254203306 0.91389701573009 15.999 > 10 *11 O 0.33333333333333 0.66666666666667 0.75000000000000 15.999 > 11 12 O 0.06391745796694 0.73472479504820 0.58610298426991 15.999 > 12 13 O 0.32919266291874 0.06391745796694 0.41389701573010 15.999 > 13 14 O 0.06391745796694 0.73472479504820 0.91389701573009 15.999 > 14 15 O 0.93608254203306 0.26527520495180 0.08610298426990 15.999 > 15 16 O 0.67080733708126 0.93608254203306 0.58610298426991 15.999 > 16 17 O 0.73472479504820 0.67080733708126 0.41389701573010 15.999 > 17 18 O 0.93608254203306 0.26527520495180 0.41389701573010 15.999 > 18 19 O 0.26527520495180 0.32919266291874 0.91389701573009 15.999 > 19 20 O 0.66666666666667 0.33333333333333 0.25000000000000 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.478255126095556 0.000000000000000 0.000000000000000 b -4.739127563047778 8.208409722748829 0.000000000000000 c 0.000000000000000 0.000000000000000 12.051696050000000 Atomic positions (fractional): *1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 1 2 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 1 3 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 1 4 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 1 5 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 2 6 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 2 7 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 2 8 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 2 *9 P 0.16666666666667 0.33333333333333 0.88016842402179 30.974 > 3 10 P 0.66666666666667 0.33333333333333 0.88016842402179 30.974 > 3 11 P 0.16666666666667 0.83333333333333 0.88016842402179 30.974 > 3 12 P 0.66666666666667 0.83333333333333 0.88016842402179 30.974 > 3 13 P 0.33333333333333 0.16666666666667 0.11983157597821 30.974 > 4 14 P 0.83333333333333 0.16666666666667 0.11983157597821 30.974 > 4 15 P 0.33333333333333 0.66666666666667 0.11983157597821 30.974 > 4 16 P 0.83333333333333 0.66666666666667 0.11983157597821 30.974 > 4 17 P 0.33333333333333 0.16666666666667 0.38016842402179 30.974 > 5 18 P 0.83333333333333 0.16666666666667 0.38016842402179 30.974 > 5 19 P 0.33333333333333 0.66666666666667 0.38016842402179 30.974 > 5 20 P 0.83333333333333 0.66666666666667 0.38016842402179 30.974 > 5 21 P 0.16666666666667 0.33333333333333 0.61983157597821 30.974 > 6 22 P 0.66666666666667 0.33333333333333 0.61983157597821 30.974 > 6 23 P 0.16666666666667 0.83333333333333 0.61983157597821 30.974 > 6 24 P 0.66666666666667 0.83333333333333 0.61983157597821 30.974 > 6 *25 O 0.36736239752410 0.33540366854063 0.08610298426990 15.999 > 7 26 O 0.86736239752410 0.33540366854063 0.08610298426990 15.999 > 7 27 O 0.36736239752410 0.83540366854063 0.08610298426990 15.999 > 7 28 O 0.86736239752410 0.83540366854063 0.08610298426990 15.999 > 7 29 O 0.16459633145937 0.03195872898347 0.08610298426990 15.999 > 8 30 O 0.66459633145937 0.03195872898347 0.08610298426990 15.999 > 8 31 O 0.16459633145937 0.53195872898347 0.08610298426990 15.999 > 8 32 O 0.66459633145937 0.53195872898347 0.08610298426990 15.999 > 8 33 O 0.13263760247590 0.16459633145937 0.58610298426991 15.999 > 9 34 O 0.63263760247590 0.16459633145937 0.58610298426991 15.999 > 9 35 O 0.13263760247590 0.66459633145937 0.58610298426991 15.999 > 9 36 O 0.63263760247590 0.66459633145937 0.58610298426991 15.999 > 9 37 O 0.33540366854063 0.46804127101653 0.91389701573009 15.999 > 10 38 O 0.83540366854063 0.46804127101653 0.91389701573009 15.999 > 10 39 O 0.33540366854063 0.96804127101653 0.91389701573009 15.999 > 10 40 O 0.83540366854063 0.96804127101653 0.91389701573009 15.999 > 10 *41 O 0.16666666666667 0.33333333333333 0.75000000000000 15.999 > 11 42 O 0.66666666666667 0.33333333333333 0.75000000000000 15.999 > 11 43 O 0.16666666666667 0.83333333333333 0.75000000000000 15.999 > 11 44 O 0.66666666666667 0.83333333333333 0.75000000000000 15.999 > 11 45 O 0.03195872898347 0.36736239752410 0.58610298426991 15.999 > 12 46 O 0.53195872898347 0.36736239752410 0.58610298426991 15.999 > 12 47 O 0.03195872898347 0.86736239752410 0.58610298426991 15.999 > 12 48 O 0.53195872898347 0.86736239752410 0.58610298426991 15.999 > 12 49 O 0.16459633145937 0.03195872898347 0.41389701573010 15.999 > 13 50 O 0.66459633145937 0.03195872898347 0.41389701573010 15.999 > 13 51 O 0.16459633145937 0.53195872898347 0.41389701573010 15.999 > 13 52 O 0.66459633145937 0.53195872898347 0.41389701573010 15.999 > 13 53 O 0.03195872898347 0.36736239752410 0.91389701573009 15.999 > 14 54 O 0.53195872898347 0.36736239752410 0.91389701573009 15.999 > 14 55 O 0.03195872898347 0.86736239752410 0.91389701573009 15.999 > 14 56 O 0.53195872898347 0.86736239752410 0.91389701573009 15.999 > 14 57 O 0.46804127101653 0.13263760247590 0.08610298426990 15.999 > 15 58 O 0.96804127101653 0.13263760247590 0.08610298426990 15.999 > 15 59 O 0.46804127101653 0.63263760247590 0.08610298426990 15.999 > 15 60 O 0.96804127101653 0.63263760247590 0.08610298426990 15.999 > 15 61 O 0.33540366854063 0.46804127101653 0.58610298426991 15.999 > 16 62 O 0.83540366854063 0.46804127101653 0.58610298426991 15.999 > 16 63 O 0.33540366854063 0.96804127101653 0.58610298426991 15.999 > 16 64 O 0.83540366854063 0.96804127101653 0.58610298426991 15.999 > 16 65 O 0.36736239752410 0.33540366854063 0.41389701573010 15.999 > 17 66 O 0.86736239752410 0.33540366854063 0.41389701573010 15.999 > 17 67 O 0.36736239752410 0.83540366854063 0.41389701573010 15.999 > 17 68 O 0.86736239752410 0.83540366854063 0.41389701573010 15.999 > 17 69 O 0.46804127101653 0.13263760247590 0.41389701573010 15.999 > 18 70 O 0.96804127101653 0.13263760247590 0.41389701573010 15.999 > 18 71 O 0.46804127101653 0.63263760247590 0.41389701573010 15.999 > 18 72 O 0.96804127101653 0.63263760247590 0.41389701573010 15.999 > 18 73 O 0.13263760247590 0.16459633145937 0.91389701573009 15.999 > 19 74 O 0.63263760247590 0.16459633145937 0.91389701573009 15.999 > 19 75 O 0.13263760247590 0.66459633145937 0.91389701573009 15.999 > 19 76 O 0.63263760247590 0.66459633145937 0.91389701573009 15.999 > 19 77 O 0.33333333333333 0.16666666666667 0.25000000000000 15.999 > 20 78 O 0.83333333333333 0.16666666666667 0.25000000000000 15.999 > 20 79 O 0.33333333333333 0.66666666666667 0.25000000000000 15.999 > 20 80 O 0.83333333333333 0.66666666666667 0.25000000000000 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6312184 0.0000004 0.0000000 -0.0000004 2.6312184 0.0000000 0.0000000 0.0000000 2.6377747 -------------------------- Born effective charges -------------------------- 1 Si 4.5338312 -0.6679377 -0.0000000 0.6679377 4.5338312 -0.0000000 0.0000000 -0.0000000 3.6492918 2 Si 4.5338312 -0.6679377 -0.0000000 0.6679377 4.5338312 -0.0000000 0.0000000 -0.0000000 3.6492918 3 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 4 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 5 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 6 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 7 O -1.1782304 0.1046816 0.0096537 0.1194414 -2.4177654 0.6129399 -0.0530988 0.7216280 -1.3882221 8 O -2.0108335 -0.6001450 -0.5356484 -0.5853852 -1.5851622 -0.2981096 -0.5983988 -0.4067989 -1.3882221 9 O -1.1782304 0.1046816 -0.0096537 0.1194414 -2.4177654 -0.6129399 0.0530988 -0.7216280 -1.3882221 10 O -2.0108335 -0.6001450 -0.5356484 -0.5853852 -1.5851622 -0.2981096 -0.5983988 -0.4067989 -1.3882221 11 O -0.8047470 -0.0018195 -0.0000000 0.0018195 -0.8047470 -0.0000000 0.0000000 -0.0000000 -4.3266037 12 O -2.2049297 0.4733237 -0.5259947 0.4880835 -1.3910660 0.3148303 -0.6514976 0.3148291 -1.3882221 13 O -2.0108335 -0.6001450 0.5356484 -0.5853852 -1.5851622 0.2981096 0.5983988 0.4067989 -1.3882221 14 O -2.2049297 0.4733237 0.5259947 0.4880835 -1.3910660 -0.3148303 0.6514976 -0.3148291 -1.3882221 15 O -2.2049297 0.4733237 0.5259947 0.4880835 -1.3910660 -0.3148303 0.6514976 -0.3148291 -1.3882221 16 O -2.0108335 -0.6001450 0.5356484 -0.5853852 -1.5851622 0.2981096 0.5983988 0.4067989 -1.3882221 17 O -1.1782304 0.1046816 -0.0096537 0.1194414 -2.4177654 -0.6129399 0.0530988 -0.7216280 -1.3882221 18 O -2.2049297 0.4733237 -0.5259947 0.4880835 -1.3910660 0.3148303 -0.6514976 0.3148291 -1.3882221 19 O -1.1782304 0.1046816 0.0096537 0.1194414 -2.4177654 0.6129399 -0.0530988 0.7216280 -1.3882221 20 O -0.8047470 -0.0018195 -0.0000000 0.0018195 -0.8047470 -0.0000000 0.0000000 -0.0000000 -4.3266037 ---------------------------------------------------------------------------- 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: 648 Number of blocks in projector: 316 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (648, 631), data: False |-- (90, 86), data: True |-- (256, 252), data: True |-- (302, 293), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 0.171 Solver_block: 200 / 240 - Time: 0.162 Solver_block: 240 / 240 - Time: 0.066 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.410 --------------------------------- 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: 648 Number of blocks in projector: 316 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (648, 631), data: False |-- (90, 86), data: True |-- (256, 252), data: True |-- (302, 293), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:26:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:26:14]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.739127563047778 0.000000000000000 0.000000000000000 b -2.369563781523889 4.104204861374415 0.000000000000000 c 0.000000000000000 0.000000000000000 12.051696050000000 Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 2 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 3 P 0.33333333333333 0.66666666666667 0.88016842402179 30.974 4 P 0.66666666666667 0.33333333333333 0.11983157597821 30.974 5 P 0.66666666666667 0.33333333333333 0.38016842402179 30.974 6 P 0.33333333333333 0.66666666666667 0.61983157597821 30.974 7 O 0.73472479504820 0.67080733708126 0.08610298426990 15.999 8 O 0.32919266291874 0.06391745796694 0.08610298426990 15.999 9 O 0.26527520495180 0.32919266291874 0.58610298426991 15.999 10 O 0.67080733708126 0.93608254203306 0.91389701573009 15.999 11 O 0.33333333333333 0.66666666666667 0.75000000000000 15.999 12 O 0.06391745796694 0.73472479504820 0.58610298426991 15.999 13 O 0.32919266291874 0.06391745796694 0.41389701573010 15.999 14 O 0.06391745796694 0.73472479504820 0.91389701573009 15.999 15 O 0.93608254203306 0.26527520495180 0.08610298426990 15.999 16 O 0.67080733708126 0.93608254203306 0.58610298426991 15.999 17 O 0.73472479504820 0.67080733708126 0.41389701573010 15.999 18 O 0.93608254203306 0.26527520495180 0.41389701573010 15.999 19 O 0.26527520495180 0.32919266291874 0.91389701573009 15.999 20 O 0.66666666666667 0.33333333333333 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.478255126095556 0.000000000000000 0.000000000000000 b -4.739127563047778 8.208409722748829 0.000000000000000 c 0.000000000000000 0.000000000000000 12.051696050000000 Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 1 2 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 1 3 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 1 4 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 1 5 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 5 6 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 5 7 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 5 8 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 5 9 P 0.16666666666667 0.33333333333333 0.88016842402179 30.974 > 9 10 P 0.66666666666667 0.33333333333333 0.88016842402179 30.974 > 9 11 P 0.16666666666667 0.83333333333333 0.88016842402179 30.974 > 9 12 P 0.66666666666667 0.83333333333333 0.88016842402179 30.974 > 9 13 P 0.33333333333333 0.16666666666667 0.11983157597821 30.974 > 13 14 P 0.83333333333333 0.16666666666667 0.11983157597821 30.974 > 13 15 P 0.33333333333333 0.66666666666667 0.11983157597821 30.974 > 13 16 P 0.83333333333333 0.66666666666667 0.11983157597821 30.974 > 13 17 P 0.33333333333333 0.16666666666667 0.38016842402179 30.974 > 17 18 P 0.83333333333333 0.16666666666667 0.38016842402179 30.974 > 17 19 P 0.33333333333333 0.66666666666667 0.38016842402179 30.974 > 17 20 P 0.83333333333333 0.66666666666667 0.38016842402179 30.974 > 17 21 P 0.16666666666667 0.33333333333333 0.61983157597821 30.974 > 21 22 P 0.66666666666667 0.33333333333333 0.61983157597821 30.974 > 21 23 P 0.16666666666667 0.83333333333333 0.61983157597821 30.974 > 21 24 P 0.66666666666667 0.83333333333333 0.61983157597821 30.974 > 21 25 O 0.36736239752410 0.33540366854063 0.08610298426990 15.999 > 25 26 O 0.86736239752410 0.33540366854063 0.08610298426990 15.999 > 25 27 O 0.36736239752410 0.83540366854063 0.08610298426990 15.999 > 25 28 O 0.86736239752410 0.83540366854063 0.08610298426990 15.999 > 25 29 O 0.16459633145937 0.03195872898347 0.08610298426990 15.999 > 29 30 O 0.66459633145937 0.03195872898347 0.08610298426990 15.999 > 29 31 O 0.16459633145937 0.53195872898347 0.08610298426990 15.999 > 29 32 O 0.66459633145937 0.53195872898347 0.08610298426990 15.999 > 29 33 O 0.13263760247590 0.16459633145937 0.58610298426991 15.999 > 33 34 O 0.63263760247590 0.16459633145937 0.58610298426991 15.999 > 33 35 O 0.13263760247590 0.66459633145937 0.58610298426991 15.999 > 33 36 O 0.63263760247590 0.66459633145937 0.58610298426991 15.999 > 33 37 O 0.33540366854063 0.46804127101653 0.91389701573009 15.999 > 37 38 O 0.83540366854063 0.46804127101653 0.91389701573009 15.999 > 37 39 O 0.33540366854063 0.96804127101653 0.91389701573009 15.999 > 37 40 O 0.83540366854063 0.96804127101653 0.91389701573009 15.999 > 37 41 O 0.16666666666667 0.33333333333333 0.75000000000000 15.999 > 41 42 O 0.66666666666667 0.33333333333333 0.75000000000000 15.999 > 41 43 O 0.16666666666667 0.83333333333333 0.75000000000000 15.999 > 41 44 O 0.66666666666667 0.83333333333333 0.75000000000000 15.999 > 41 45 O 0.03195872898347 0.36736239752410 0.58610298426991 15.999 > 45 46 O 0.53195872898347 0.36736239752410 0.58610298426991 15.999 > 45 47 O 0.03195872898347 0.86736239752410 0.58610298426991 15.999 > 45 48 O 0.53195872898347 0.86736239752410 0.58610298426991 15.999 > 45 49 O 0.16459633145937 0.03195872898347 0.41389701573010 15.999 > 49 50 O 0.66459633145937 0.03195872898347 0.41389701573010 15.999 > 49 51 O 0.16459633145937 0.53195872898347 0.41389701573010 15.999 > 49 52 O 0.66459633145937 0.53195872898347 0.41389701573010 15.999 > 49 53 O 0.03195872898347 0.36736239752410 0.91389701573009 15.999 > 53 54 O 0.53195872898347 0.36736239752410 0.91389701573009 15.999 > 53 55 O 0.03195872898347 0.86736239752410 0.91389701573009 15.999 > 53 56 O 0.53195872898347 0.86736239752410 0.91389701573009 15.999 > 53 57 O 0.46804127101653 0.13263760247590 0.08610298426990 15.999 > 57 58 O 0.96804127101653 0.13263760247590 0.08610298426990 15.999 > 57 59 O 0.46804127101653 0.63263760247590 0.08610298426990 15.999 > 57 60 O 0.96804127101653 0.63263760247590 0.08610298426990 15.999 > 57 61 O 0.33540366854063 0.46804127101653 0.58610298426991 15.999 > 61 62 O 0.83540366854063 0.46804127101653 0.58610298426991 15.999 > 61 63 O 0.33540366854063 0.96804127101653 0.58610298426991 15.999 > 61 64 O 0.83540366854063 0.96804127101653 0.58610298426991 15.999 > 61 65 O 0.36736239752410 0.33540366854063 0.41389701573010 15.999 > 65 66 O 0.86736239752410 0.33540366854063 0.41389701573010 15.999 > 65 67 O 0.36736239752410 0.83540366854063 0.41389701573010 15.999 > 65 68 O 0.86736239752410 0.83540366854063 0.41389701573010 15.999 > 65 69 O 0.46804127101653 0.13263760247590 0.41389701573010 15.999 > 69 70 O 0.96804127101653 0.13263760247590 0.41389701573010 15.999 > 69 71 O 0.46804127101653 0.63263760247590 0.41389701573010 15.999 > 69 72 O 0.96804127101653 0.63263760247590 0.41389701573010 15.999 > 69 73 O 0.13263760247590 0.16459633145937 0.91389701573009 15.999 > 73 74 O 0.63263760247590 0.16459633145937 0.91389701573009 15.999 > 73 75 O 0.13263760247590 0.66459633145937 0.91389701573009 15.999 > 73 76 O 0.63263760247590 0.66459633145937 0.91389701573009 15.999 > 73 77 O 0.33333333333333 0.16666666666667 0.25000000000000 15.999 > 77 78 O 0.83333333333333 0.16666666666667 0.25000000000000 15.999 > 77 79 O 0.33333333333333 0.66666666666667 0.25000000000000 15.999 > 77 80 O 0.83333333333333 0.66666666666667 0.25000000000000 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6312184 0.0000004 0.0000000 -0.0000004 2.6312184 0.0000000 0.0000000 0.0000000 2.6377747 -------------------------- Born effective charges -------------------------- 1 Si 4.5338312 -0.6679377 -0.0000000 0.6679377 4.5338312 -0.0000000 0.0000000 -0.0000000 3.6492918 2 Si 4.5338312 -0.6679377 -0.0000000 0.6679377 4.5338312 -0.0000000 0.0000000 -0.0000000 3.6492918 3 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 4 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 5 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 6 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 7 O -1.1782304 0.1046816 0.0096537 0.1194414 -2.4177654 0.6129399 -0.0530988 0.7216280 -1.3882221 8 O -2.0108335 -0.6001450 -0.5356484 -0.5853852 -1.5851622 -0.2981096 -0.5983988 -0.4067989 -1.3882221 9 O -1.1782304 0.1046816 -0.0096537 0.1194414 -2.4177654 -0.6129399 0.0530988 -0.7216280 -1.3882221 10 O -2.0108335 -0.6001450 -0.5356484 -0.5853852 -1.5851622 -0.2981096 -0.5983988 -0.4067989 -1.3882221 11 O -0.8047470 -0.0018195 -0.0000000 0.0018195 -0.8047470 -0.0000000 0.0000000 -0.0000000 -4.3266037 12 O -2.2049297 0.4733237 -0.5259947 0.4880835 -1.3910660 0.3148303 -0.6514976 0.3148291 -1.3882221 13 O -2.0108335 -0.6001450 0.5356484 -0.5853852 -1.5851622 0.2981096 0.5983988 0.4067989 -1.3882221 14 O -2.2049297 0.4733237 0.5259947 0.4880835 -1.3910660 -0.3148303 0.6514976 -0.3148291 -1.3882221 15 O -2.2049297 0.4733237 0.5259947 0.4880835 -1.3910660 -0.3148303 0.6514976 -0.3148291 -1.3882221 16 O -2.0108335 -0.6001450 0.5356484 -0.5853852 -1.5851622 0.2981096 0.5983988 0.4067989 -1.3882221 17 O -1.1782304 0.1046816 -0.0096537 0.1194414 -2.4177654 -0.6129399 0.0530988 -0.7216280 -1.3882221 18 O -2.2049297 0.4733237 -0.5259947 0.4880835 -1.3910660 0.3148303 -0.6514976 0.3148291 -1.3882221 19 O -1.1782304 0.1046816 0.0096537 0.1194414 -2.4177654 0.6129399 -0.0530988 0.7216280 -1.3882221 20 O -0.8047470 -0.0018195 -0.0000000 0.0018195 -0.8047470 -0.0000000 0.0000000 -0.0000000 -4.3266037 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000041 (yyy) -0.00000041 (yyy) -0.00000041 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000047 (yx) -0.00000047 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:26:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:26:22]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.739127563047778 0.000000000000000 0.000000000000000 b -2.369563781523889 4.104204861374415 0.000000000000000 c 0.000000000000000 0.000000000000000 12.051696050000000 Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 2 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 3 P 0.33333333333333 0.66666666666667 0.88016842402179 30.974 4 P 0.66666666666667 0.33333333333333 0.11983157597821 30.974 5 P 0.66666666666667 0.33333333333333 0.38016842402179 30.974 6 P 0.33333333333333 0.66666666666667 0.61983157597821 30.974 7 O 0.73472479504820 0.67080733708126 0.08610298426990 15.999 8 O 0.32919266291874 0.06391745796694 0.08610298426990 15.999 9 O 0.26527520495180 0.32919266291874 0.58610298426991 15.999 10 O 0.67080733708126 0.93608254203306 0.91389701573009 15.999 11 O 0.33333333333333 0.66666666666667 0.75000000000000 15.999 12 O 0.06391745796694 0.73472479504820 0.58610298426991 15.999 13 O 0.32919266291874 0.06391745796694 0.41389701573010 15.999 14 O 0.06391745796694 0.73472479504820 0.91389701573009 15.999 15 O 0.93608254203306 0.26527520495180 0.08610298426990 15.999 16 O 0.67080733708126 0.93608254203306 0.58610298426991 15.999 17 O 0.73472479504820 0.67080733708126 0.41389701573010 15.999 18 O 0.93608254203306 0.26527520495180 0.41389701573010 15.999 19 O 0.26527520495180 0.32919266291874 0.91389701573009 15.999 20 O 0.66666666666667 0.33333333333333 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.478255126095556 0.000000000000000 0.000000000000000 b -4.739127563047778 8.208409722748829 0.000000000000000 c 0.000000000000000 0.000000000000000 12.051696050000000 Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 1 2 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 1 3 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 1 4 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 1 5 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 5 6 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 5 7 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 5 8 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 5 9 P 0.16666666666667 0.33333333333333 0.88016842402179 30.974 > 9 10 P 0.66666666666667 0.33333333333333 0.88016842402179 30.974 > 9 11 P 0.16666666666667 0.83333333333333 0.88016842402179 30.974 > 9 12 P 0.66666666666667 0.83333333333333 0.88016842402179 30.974 > 9 13 P 0.33333333333333 0.16666666666667 0.11983157597821 30.974 > 13 14 P 0.83333333333333 0.16666666666667 0.11983157597821 30.974 > 13 15 P 0.33333333333333 0.66666666666667 0.11983157597821 30.974 > 13 16 P 0.83333333333333 0.66666666666667 0.11983157597821 30.974 > 13 17 P 0.33333333333333 0.16666666666667 0.38016842402179 30.974 > 17 18 P 0.83333333333333 0.16666666666667 0.38016842402179 30.974 > 17 19 P 0.33333333333333 0.66666666666667 0.38016842402179 30.974 > 17 20 P 0.83333333333333 0.66666666666667 0.38016842402179 30.974 > 17 21 P 0.16666666666667 0.33333333333333 0.61983157597821 30.974 > 21 22 P 0.66666666666667 0.33333333333333 0.61983157597821 30.974 > 21 23 P 0.16666666666667 0.83333333333333 0.61983157597821 30.974 > 21 24 P 0.66666666666667 0.83333333333333 0.61983157597821 30.974 > 21 25 O 0.36736239752410 0.33540366854063 0.08610298426990 15.999 > 25 26 O 0.86736239752410 0.33540366854063 0.08610298426990 15.999 > 25 27 O 0.36736239752410 0.83540366854063 0.08610298426990 15.999 > 25 28 O 0.86736239752410 0.83540366854063 0.08610298426990 15.999 > 25 29 O 0.16459633145937 0.03195872898347 0.08610298426990 15.999 > 29 30 O 0.66459633145937 0.03195872898347 0.08610298426990 15.999 > 29 31 O 0.16459633145937 0.53195872898347 0.08610298426990 15.999 > 29 32 O 0.66459633145937 0.53195872898347 0.08610298426990 15.999 > 29 33 O 0.13263760247590 0.16459633145937 0.58610298426991 15.999 > 33 34 O 0.63263760247590 0.16459633145937 0.58610298426991 15.999 > 33 35 O 0.13263760247590 0.66459633145937 0.58610298426991 15.999 > 33 36 O 0.63263760247590 0.66459633145937 0.58610298426991 15.999 > 33 37 O 0.33540366854063 0.46804127101653 0.91389701573009 15.999 > 37 38 O 0.83540366854063 0.46804127101653 0.91389701573009 15.999 > 37 39 O 0.33540366854063 0.96804127101653 0.91389701573009 15.999 > 37 40 O 0.83540366854063 0.96804127101653 0.91389701573009 15.999 > 37 41 O 0.16666666666667 0.33333333333333 0.75000000000000 15.999 > 41 42 O 0.66666666666667 0.33333333333333 0.75000000000000 15.999 > 41 43 O 0.16666666666667 0.83333333333333 0.75000000000000 15.999 > 41 44 O 0.66666666666667 0.83333333333333 0.75000000000000 15.999 > 41 45 O 0.03195872898347 0.36736239752410 0.58610298426991 15.999 > 45 46 O 0.53195872898347 0.36736239752410 0.58610298426991 15.999 > 45 47 O 0.03195872898347 0.86736239752410 0.58610298426991 15.999 > 45 48 O 0.53195872898347 0.86736239752410 0.58610298426991 15.999 > 45 49 O 0.16459633145937 0.03195872898347 0.41389701573010 15.999 > 49 50 O 0.66459633145937 0.03195872898347 0.41389701573010 15.999 > 49 51 O 0.16459633145937 0.53195872898347 0.41389701573010 15.999 > 49 52 O 0.66459633145937 0.53195872898347 0.41389701573010 15.999 > 49 53 O 0.03195872898347 0.36736239752410 0.91389701573009 15.999 > 53 54 O 0.53195872898347 0.36736239752410 0.91389701573009 15.999 > 53 55 O 0.03195872898347 0.86736239752410 0.91389701573009 15.999 > 53 56 O 0.53195872898347 0.86736239752410 0.91389701573009 15.999 > 53 57 O 0.46804127101653 0.13263760247590 0.08610298426990 15.999 > 57 58 O 0.96804127101653 0.13263760247590 0.08610298426990 15.999 > 57 59 O 0.46804127101653 0.63263760247590 0.08610298426990 15.999 > 57 60 O 0.96804127101653 0.63263760247590 0.08610298426990 15.999 > 57 61 O 0.33540366854063 0.46804127101653 0.58610298426991 15.999 > 61 62 O 0.83540366854063 0.46804127101653 0.58610298426991 15.999 > 61 63 O 0.33540366854063 0.96804127101653 0.58610298426991 15.999 > 61 64 O 0.83540366854063 0.96804127101653 0.58610298426991 15.999 > 61 65 O 0.36736239752410 0.33540366854063 0.41389701573010 15.999 > 65 66 O 0.86736239752410 0.33540366854063 0.41389701573010 15.999 > 65 67 O 0.36736239752410 0.83540366854063 0.41389701573010 15.999 > 65 68 O 0.86736239752410 0.83540366854063 0.41389701573010 15.999 > 65 69 O 0.46804127101653 0.13263760247590 0.41389701573010 15.999 > 69 70 O 0.96804127101653 0.13263760247590 0.41389701573010 15.999 > 69 71 O 0.46804127101653 0.63263760247590 0.41389701573010 15.999 > 69 72 O 0.96804127101653 0.63263760247590 0.41389701573010 15.999 > 69 73 O 0.13263760247590 0.16459633145937 0.91389701573009 15.999 > 73 74 O 0.63263760247590 0.16459633145937 0.91389701573009 15.999 > 73 75 O 0.13263760247590 0.66459633145937 0.91389701573009 15.999 > 73 76 O 0.63263760247590 0.66459633145937 0.91389701573009 15.999 > 73 77 O 0.33333333333333 0.16666666666667 0.25000000000000 15.999 > 77 78 O 0.83333333333333 0.16666666666667 0.25000000000000 15.999 > 77 79 O 0.33333333333333 0.66666666666667 0.25000000000000 15.999 > 77 80 O 0.83333333333333 0.66666666666667 0.25000000000000 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6312184 0.0000004 0.0000000 -0.0000004 2.6312184 0.0000000 0.0000000 0.0000000 2.6377747 -------------------------- Born effective charges -------------------------- 1 Si 4.5338312 -0.6679377 -0.0000000 0.6679377 4.5338312 -0.0000000 0.0000000 -0.0000000 3.6492918 2 Si 4.5338312 -0.6679377 -0.0000000 0.6679377 4.5338312 -0.0000000 0.0000000 -0.0000000 3.6492918 3 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 4 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 5 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 6 P 3.5294515 0.3570183 -0.0000000 -0.3570183 3.5294515 -0.0000000 0.0000000 -0.0000000 4.5033221 7 O -1.1782304 0.1046816 0.0096537 0.1194414 -2.4177654 0.6129399 -0.0530988 0.7216280 -1.3882221 8 O -2.0108335 -0.6001450 -0.5356484 -0.5853852 -1.5851622 -0.2981096 -0.5983988 -0.4067989 -1.3882221 9 O -1.1782304 0.1046816 -0.0096537 0.1194414 -2.4177654 -0.6129399 0.0530988 -0.7216280 -1.3882221 10 O -2.0108335 -0.6001450 -0.5356484 -0.5853852 -1.5851622 -0.2981096 -0.5983988 -0.4067989 -1.3882221 11 O -0.8047470 -0.0018195 -0.0000000 0.0018195 -0.8047470 -0.0000000 0.0000000 -0.0000000 -4.3266037 12 O -2.2049297 0.4733237 -0.5259947 0.4880835 -1.3910660 0.3148303 -0.6514976 0.3148291 -1.3882221 13 O -2.0108335 -0.6001450 0.5356484 -0.5853852 -1.5851622 0.2981096 0.5983988 0.4067989 -1.3882221 14 O -2.2049297 0.4733237 0.5259947 0.4880835 -1.3910660 -0.3148303 0.6514976 -0.3148291 -1.3882221 15 O -2.2049297 0.4733237 0.5259947 0.4880835 -1.3910660 -0.3148303 0.6514976 -0.3148291 -1.3882221 16 O -2.0108335 -0.6001450 0.5356484 -0.5853852 -1.5851622 0.2981096 0.5983988 0.4067989 -1.3882221 17 O -1.1782304 0.1046816 -0.0096537 0.1194414 -2.4177654 -0.6129399 0.0530988 -0.7216280 -1.3882221 18 O -2.2049297 0.4733237 -0.5259947 0.4880835 -1.3910660 0.3148303 -0.6514976 0.3148291 -1.3882221 19 O -1.1782304 0.1046816 0.0096537 0.1194414 -2.4177654 0.6129399 -0.0530988 0.7216280 -1.3882221 20 O -0.8047470 -0.0018195 -0.0000000 0.0018195 -0.8047470 -0.0000000 0.0000000 -0.0000000 -4.3266037 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000041 (yyy) -0.00000041 (yyy) -0.00000041 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 12 12 4 ] 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: 0.67, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 9.282 ( 0.000 0.000 0.000) 0.000 10.071 ( 0.000 0.000 0.000) 0.000 10.071 ( 0.000 0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.974 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 12.907 ( 0.000 0.000 0.000) 0.000 12.907 ( 0.000 0.000 0.000) 0.000 13.441 ( 0.000 0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 13.978 ( 0.000 0.000 0.000) 0.000 13.978 ( 0.000 0.000 0.000) 0.000 14.005 ( 0.000 0.000 0.000) 0.000 14.005 ( 0.000 0.000 0.000) 0.000 14.102 ( 0.000 0.000 0.000) 0.000 16.488 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 17.439 ( 0.000 0.000 0.000) 0.000 17.439 ( 0.000 0.000 0.000) 0.000 17.606 ( 0.000 0.000 0.000) 0.000 17.606 ( 0.000 0.000 0.000) 0.000 19.722 ( 0.000 0.000 0.000) 0.000 19.786 ( 0.000 0.000 0.000) 0.000 19.786 ( 0.000 0.000 0.000) 0.000 19.888 ( 0.000 0.000 0.000) 0.000 19.888 ( 0.000 0.000 0.000) 0.000 21.003 ( 0.000 0.000 0.000) 0.000 21.149 ( 0.000 0.000 0.000) 0.000 29.938 ( 0.000 0.000 0.000) 0.000 32.075 ( 0.000 0.000 0.000) 0.000 32.075 ( 0.000 0.000 0.000) 0.000 32.147 ( 0.000 0.000 0.000) 0.000 32.147 ( 0.000 0.000 0.000) 0.000 33.244 ( 0.000 0.000 0.000) 0.000 33.341 ( 0.000 0.000 0.000) 0.000 33.341 ( 0.000 0.000 0.000) 0.000 33.410 ( 0.000 0.000 0.000) 0.000 33.410 ( 0.000 0.000 0.000) 0.000 34.015 ( 0.000 0.000 0.000) 0.000 34.322 ( 0.000 0.000 0.000) 0.000 35.339 ( 0.000 0.000 0.000) 0.000 37.876 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 32.810 18.952 0.000) 37.890 0.982 ( 41.446 23.555 0.000) 47.672 1.627 ( 67.515 39.212 0.000) 78.076 3.022 ( 18.198 10.007 0.000) 20.768 3.117 ( 1.084 0.412 0.000) 1.160 3.276 ( 36.732 21.800 0.000) 42.713 3.302 ( 15.981 9.387 0.000) 18.534 4.884 ( 8.285 4.194 0.000) 9.286 5.075 ( 22.857 13.682 0.000) 26.639 6.309 ( -0.374 0.289 0.000) 0.473 6.368 ( 2.435 -0.815 0.000) 2.567 6.423 ( -12.717 -5.301 0.000) 13.778 6.706 ( 3.844 1.940 0.000) 4.306 8.083 ( -7.759 -4.486 0.000) 8.963 8.090 ( 22.871 13.205 0.000) 26.410 9.304 ( 1.949 1.122 0.000) 2.249 10.026 ( -3.434 -1.563 0.000) 3.773 10.120 ( 3.392 1.389 0.000) 3.666 10.281 ( 3.330 2.063 0.000) 3.917 10.396 ( 2.037 1.199 0.000) 2.364 11.097 ( 9.609 5.561 0.000) 11.102 11.350 ( -0.969 -0.580 0.000) 1.129 11.734 ( -0.204 -0.133 0.000) 0.244 12.740 ( -12.350 -6.275 0.000) 13.852 12.815 ( -7.155 -5.255 0.000) 8.877 13.513 ( 2.578 2.888 0.000) 3.872 13.663 ( -9.228 -3.940 0.000) 10.034 13.779 ( 2.055 -2.191 0.000) 3.004 13.904 ( -4.411 -5.153 0.000) 6.784 13.946 ( -5.357 -0.871 0.000) 5.427 14.108 ( 8.863 6.548 0.000) 11.020 14.134 ( 1.329 0.884 0.000) 1.596 16.470 ( -6.855 -5.121 0.000) 8.556 16.568 ( -28.035 -14.486 0.000) 31.556 16.576 ( -22.038 -23.152 0.000) 31.964 17.394 ( -30.502 22.261 0.000) 37.761 17.403 ( -2.373 -2.117 0.000) 3.180 17.714 ( 20.217 -18.546 0.000) 27.436 18.132 ( 28.376 16.605 0.000) 32.877 19.735 ( -1.386 -10.113 0.000) 10.207 19.809 ( 1.730 1.622 0.000) 2.372 19.869 ( 7.005 3.454 0.000) 7.810 19.933 ( 2.158 11.875 0.000) 12.069 20.629 ( -10.915 -6.731 0.000) 12.824 20.912 ( -6.279 -3.998 0.000) 7.444 21.457 ( 16.980 9.702 0.000) 19.556 29.828 ( -8.531 -4.925 0.000) 9.851 32.076 ( 0.166 -0.010 0.000) 0.167 32.148 ( 0.079 -0.060 0.000) 0.099 32.178 ( -3.110 -1.732 0.000) 3.560 32.328 ( 14.433 8.525 0.000) 16.763 32.428 ( -23.294 -13.378 0.000) 26.862 33.360 ( 1.620 0.896 0.000) 1.851 33.412 ( 0.035 -0.016 0.000) 0.038 33.977 ( -2.918 -1.719 0.000) 3.387 34.138 ( 32.722 18.902 0.000) 37.789 34.170 ( -12.288 -7.118 0.000) 14.201 35.299 ( -3.316 -1.915 0.000) 3.830 37.595 ( 1.173 0.695 0.000) 1.364 37.819 ( -4.633 -2.674 0.000) 5.349 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 40.106 23.529 0.000) 46.499 1.917 ( 37.977 21.849 0.000) 43.814 3.025 ( 22.719 -1.026 0.000) 22.742 3.163 ( 27.072 31.226 0.000) 41.328 3.570 ( 27.963 13.997 0.000) 31.271 3.759 ( 23.427 10.514 0.000) 25.678 4.319 ( 45.139 30.503 0.000) 54.479 5.152 ( 17.715 5.123 0.000) 18.441 5.768 ( 32.886 21.646 0.000) 39.371 6.135 ( -7.215 -1.325 0.000) 7.335 6.303 ( -0.556 -0.289 0.000) 0.627 6.565 ( 9.978 8.045 0.000) 12.818 6.847 ( 10.982 1.949 0.000) 11.153 7.841 ( -11.950 -7.095 0.000) 13.898 8.673 ( 25.090 15.005 0.000) 29.234 9.380 ( 4.723 2.600 0.000) 5.391 9.947 ( -4.117 -0.182 0.000) 4.121 10.167 ( 2.240 -1.646 0.000) 2.779 10.442 ( 9.606 6.109 0.000) 11.384 10.467 ( 3.814 2.313 0.000) 4.460 11.311 ( -2.512 -1.253 0.000) 2.807 11.366 ( 11.714 7.025 0.000) 13.659 11.736 ( 0.742 0.070 0.000) 0.746 12.407 ( -17.477 -6.954 0.000) 18.809 12.564 ( -11.327 -10.916 0.000) 15.731 13.395 ( -13.751 -8.097 0.000) 15.958 13.419 ( -17.573 0.100 0.000) 17.573 13.746 ( -3.890 -13.001 0.000) 13.570 13.827 ( -7.391 9.176 0.000) 11.782 13.833 ( 7.940 -10.745 0.000) 13.360 14.149 ( 0.088 -0.079 0.000) 0.118 14.308 ( 2.982 6.778 0.000) 7.405 15.745 ( -32.774 -37.651 0.000) 49.917 15.785 ( -28.734 -15.333 0.000) 32.569 16.541 ( 2.141 5.927 0.000) 6.301 17.154 ( -30.443 37.755 0.000) 48.500 17.336 ( 0.128 -6.007 0.000) 6.008 17.875 ( 23.914 -27.820 0.000) 36.685 18.678 ( 16.881 10.280 0.000) 19.765 19.424 ( -14.575 -18.283 0.000) 23.381 19.887 ( 2.942 6.383 0.000) 7.028 20.079 ( 12.208 3.205 0.000) 12.622 20.113 ( -2.502 19.542 0.000) 19.701 20.486 ( 1.591 -6.731 0.000) 6.916 20.778 ( -3.264 -2.731 0.000) 4.256 21.830 ( 14.098 8.018 0.000) 16.219 29.587 ( -11.130 -6.409 0.000) 12.844 31.455 ( -34.602 -20.249 0.000) 40.091 32.082 ( 0.352 0.411 0.000) 0.541 32.151 ( 0.463 -0.006 0.000) 0.463 32.655 ( 18.124 10.793 0.000) 21.094 32.763 ( 20.565 12.899 0.000) 24.275 33.397 ( -1.881 -0.671 0.000) 1.997 33.411 ( 2.729 1.246 0.000) 3.001 33.798 ( -16.493 -11.660 0.000) 20.199 33.904 ( -3.563 -1.125 0.000) 3.737 34.800 ( 23.034 13.344 0.000) 26.620 35.197 ( -4.765 -2.768 0.000) 5.511 37.629 ( 1.575 1.018 0.000) 1.875 37.679 ( -6.733 -3.873 0.000) 7.767 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 42.453 26.609 0.000) 50.102 2.638 ( 1.734 11.023 0.000) 11.158 2.909 ( 15.854 -6.610 0.000) 17.177 3.950 ( 14.196 11.810 0.000) 18.466 4.215 ( 28.184 12.581 0.000) 30.865 4.505 ( 40.464 19.181 0.000) 44.780 5.133 ( 16.041 13.800 0.000) 21.160 5.796 ( 43.788 17.747 0.000) 47.248 6.132 ( -1.029 10.476 0.000) 10.527 6.281 ( -2.276 0.259 0.000) 2.291 6.593 ( 32.014 25.307 0.000) 40.809 6.899 ( 18.275 10.422 0.000) 21.038 7.213 ( 27.694 7.195 0.000) 28.613 7.575 ( -7.825 -6.520 0.000) 10.185 9.235 ( 20.665 15.034 0.000) 25.555 9.519 ( 7.568 2.812 0.000) 8.074 9.876 ( -5.111 1.451 0.000) 5.313 10.190 ( 3.529 -3.153 0.000) 4.732 10.558 ( 3.338 1.524 0.000) 3.670 10.697 ( 11.007 6.042 0.000) 12.556 11.237 ( -4.775 -0.382 0.000) 4.790 11.521 ( -6.481 -0.615 0.000) 6.510 11.769 ( 3.227 -0.278 0.000) 3.239 12.038 ( -11.772 -2.882 0.000) 12.119 12.236 ( -11.503 -11.995 0.000) 16.619 13.009 ( -20.456 -7.989 0.000) 21.960 13.027 ( -16.615 -11.678 0.000) 20.308 13.386 ( -23.147 -7.389 0.000) 24.298 13.825 ( -1.517 1.289 0.000) 1.991 13.875 ( 7.490 -13.745 0.000) 15.653 14.149 ( 0.644 -0.820 0.000) 1.042 14.299 ( -8.522 4.194 0.000) 9.498 14.812 ( -28.512 -33.852 0.000) 44.259 15.263 ( -18.601 -5.678 0.000) 19.448 16.705 ( 2.024 18.249 0.000) 18.361 17.086 ( -23.416 41.354 0.000) 47.523 17.307 ( 9.466 -15.338 0.000) 18.024 17.964 ( 22.818 -37.248 0.000) 43.682 18.902 ( 1.821 1.392 0.000) 2.292 18.975 ( -16.588 -10.741 0.000) 19.762 20.048 ( 3.452 13.337 0.000) 13.777 20.230 ( -6.627 20.352 0.000) 21.403 20.338 ( 14.691 0.151 0.000) 14.691 20.480 ( 6.881 -10.775 0.000) 12.784 20.761 ( 1.649 0.450 0.000) 1.710 22.090 ( 7.876 4.540 0.000) 9.090 29.336 ( -9.914 -5.660 0.000) 11.416 30.721 ( -27.178 -16.038 0.000) 31.557 32.098 ( 0.736 0.657 0.000) 0.986 32.166 ( 1.181 0.178 0.000) 1.194 33.093 ( 17.589 11.408 0.000) 20.965 33.203 ( 6.097 2.546 0.000) 6.607 33.302 ( -6.765 7.997 0.000) 10.475 33.466 ( -0.934 -9.690 0.000) 9.735 33.475 ( 3.341 0.628 0.000) 3.400 33.864 ( 0.435 -1.105 0.000) 1.188 35.017 ( -4.774 -2.622 0.000) 5.447 35.282 ( 12.632 7.167 0.000) 14.523 37.530 ( -5.452 -3.075 0.000) 6.259 37.664 ( 1.139 0.906 0.000) 1.455 ======================= Grid point 4 (5/78) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -23.962 -14.697 0.000) 28.110 3.496 ( 27.183 11.585 0.000) 29.548 3.535 ( 37.005 27.200 0.000) 45.926 4.184 ( 8.221 0.544 0.000) 8.239 4.767 ( 21.475 8.382 0.000) 23.052 5.208 ( 19.231 11.649 0.000) 22.484 5.397 ( 10.849 -1.240 0.000) 10.919 6.184 ( -2.802 -0.234 0.000) 2.812 6.268 ( -2.247 11.383 0.000) 11.602 6.588 ( 15.732 13.101 0.000) 20.473 7.368 ( 27.356 27.248 0.000) 38.611 7.455 ( 31.337 12.733 0.000) 33.825 7.622 ( 20.776 2.641 0.000) 20.943 7.957 ( 39.627 18.153 0.000) 43.587 9.620 ( 2.662 10.718 0.000) 11.043 9.732 ( 15.628 4.068 0.000) 16.149 9.777 ( -7.059 -0.742 0.000) 7.098 10.219 ( 0.629 -0.851 0.000) 1.058 10.561 ( -1.784 -6.144 0.000) 6.398 10.825 ( -4.028 -14.210 0.000) 14.769 11.117 ( -20.197 6.810 0.000) 21.314 11.163 ( -5.681 6.055 0.000) 8.303 11.834 ( 5.859 -3.862 0.000) 7.017 11.922 ( -8.326 -16.662 0.000) 18.626 12.043 ( 2.138 6.475 0.000) 6.818 12.561 ( -24.406 -9.965 0.000) 26.362 12.652 ( -8.320 -8.353 0.000) 11.790 12.863 ( -22.322 -10.013 0.000) 24.465 13.707 ( -8.905 -15.931 0.000) 18.251 13.735 ( -6.890 -9.850 0.000) 12.020 14.097 ( -8.987 -7.903 0.000) 11.968 14.228 ( -3.368 -7.108 0.000) 7.865 14.252 ( -1.422 7.150 0.000) 7.290 14.966 ( -12.009 -2.707 0.000) 12.310 16.938 ( -6.965 33.308 0.000) 34.028 17.152 ( -17.734 42.091 0.000) 45.674 17.379 ( 25.096 -28.787 0.000) 38.191 17.892 ( 17.041 -45.664 0.000) 48.741 18.695 ( -8.884 0.276 0.000) 8.889 18.803 ( -10.520 -3.384 0.000) 11.051 20.245 ( 2.230 13.851 0.000) 14.029 20.319 ( -5.244 18.997 0.000) 19.707 20.502 ( 8.305 -11.355 0.000) 14.068 20.577 ( 12.880 -1.683 0.000) 12.990 20.798 ( 1.191 0.209 0.000) 1.210 22.200 ( 1.786 1.065 0.000) 2.079 29.136 ( -7.124 -4.000 0.000) 8.170 30.186 ( -17.986 -10.766 0.000) 20.962 32.120 ( 0.878 0.737 0.000) 1.146 32.196 ( 1.753 0.374 0.000) 1.792 32.944 ( -13.231 -5.432 0.000) 14.303 33.286 ( -2.715 -3.271 0.000) 4.251 33.468 ( 9.288 12.631 0.000) 15.678 33.542 ( 6.883 -3.383 0.000) 7.669 33.677 ( 6.413 12.615 0.000) 14.151 33.912 ( 9.018 -3.676 0.000) 9.739 34.892 ( -5.058 -2.789 0.000) 5.776 35.498 ( 5.650 3.082 0.000) 6.436 37.439 ( -2.360 -1.218 0.000) 2.655 37.685 ( 0.441 0.583 0.000) 0.731 ======================= Grid point 5 (6/78) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -19.100 -13.269 0.000) 23.257 3.981 ( 14.353 9.706 0.000) 17.327 4.294 ( 7.023 -4.099 0.000) 8.131 4.307 ( 20.441 20.374 0.000) 28.861 5.112 ( 9.876 4.231 0.000) 10.744 5.444 ( 0.412 5.321 0.000) 5.337 5.550 ( 12.486 -7.871 0.000) 14.760 6.113 ( -1.388 -3.191 0.000) 3.480 6.370 ( 0.778 8.186 0.000) 8.223 6.712 ( -2.907 6.406 0.000) 7.035 8.042 ( 19.016 7.553 0.000) 20.461 8.199 ( 27.961 20.020 0.000) 34.389 8.210 ( 37.432 13.353 0.000) 39.742 8.843 ( 33.966 20.497 0.000) 39.671 9.591 ( -13.809 0.844 0.000) 13.835 9.602 ( -7.045 -8.469 0.000) 11.016 9.962 ( 3.333 4.554 0.000) 5.643 10.025 ( -25.654 3.801 0.000) 25.934 10.389 ( -3.707 -15.252 0.000) 15.696 10.507 ( 3.610 -15.849 0.000) 16.255 11.101 ( -5.564 13.755 0.000) 14.837 11.204 ( -0.339 14.733 0.000) 14.737 11.587 ( -6.817 -20.516 0.000) 21.619 11.817 ( -0.456 -19.585 0.000) 19.590 12.080 ( -18.768 5.461 0.000) 19.547 12.171 ( 5.020 6.712 0.000) 8.382 12.477 ( -9.942 -10.008 0.000) 14.107 12.545 ( 0.548 -3.948 0.000) 3.986 13.359 ( -12.848 -9.469 0.000) 15.960 13.427 ( -9.650 -11.389 0.000) 14.928 13.945 ( -3.007 -0.860 0.000) 3.127 14.231 ( 1.849 -0.232 0.000) 1.864 14.348 ( 2.853 6.838 0.000) 7.410 14.757 ( -7.734 -4.375 0.000) 8.886 17.090 ( -8.526 23.301 0.000) 24.812 17.298 ( -14.710 42.058 0.000) 44.557 17.618 ( 29.327 -20.574 0.000) 35.824 17.687 ( 13.283 -44.559 0.000) 46.496 18.511 ( -17.735 -2.537 0.000) 17.916 18.619 ( -2.451 1.510 0.000) 2.878 20.386 ( 0.956 7.954 0.000) 8.011 20.437 ( -3.888 19.117 0.000) 19.509 20.532 ( 9.061 -13.366 0.000) 16.148 20.742 ( 7.271 -1.206 0.000) 7.370 20.790 ( -1.431 -1.176 0.000) 1.852 22.200 ( -1.040 -0.585 0.000) 1.193 29.009 ( -3.698 -2.036 0.000) 4.221 29.870 ( -8.768 -5.329 0.000) 10.260 32.140 ( 0.600 0.493 0.000) 0.777 32.229 ( 1.377 0.346 0.000) 1.420 32.722 ( -6.958 -2.860 0.000) 7.523 33.217 ( -1.638 -2.178 0.000) 2.725 33.569 ( 0.501 2.248 0.000) 2.304 33.735 ( 8.192 2.700 0.000) 8.626 33.796 ( -0.936 5.921 0.000) 5.995 34.083 ( 9.448 -0.558 0.000) 9.465 34.799 ( -2.828 -1.529 0.000) 3.215 35.568 ( 1.197 0.526 0.000) 1.307 37.413 ( -0.327 -0.062 0.000) 0.333 37.693 ( 0.033 0.263 0.000) 0.265 ======================= Grid point 6 (7/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 -0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 -0.000 0.000) 0.000 8.639 ( 0.000 -0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 9.105 ( -0.000 -0.000 0.000) 0.000 9.448 ( -0.000 0.000 0.000) 0.000 9.465 ( 0.000 0.000 0.000) 0.000 9.759 ( 0.000 -0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.204 ( -0.000 -0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 11.140 ( 0.000 -0.000 0.000) 0.000 11.378 ( 0.000 0.000 0.000) 0.000 11.423 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 -0.000 0.000) 0.000 12.001 ( 0.000 0.000 0.000) 0.000 12.284 ( 0.000 0.000 0.000) 0.000 12.332 ( 0.000 0.000 0.000) 0.000 12.526 ( 0.000 0.000 0.000) 0.000 13.173 ( 0.000 0.000 0.000) 0.000 13.276 ( 0.000 0.000 0.000) 0.000 13.917 ( 0.000 0.000 0.000) 0.000 14.249 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.641 ( 0.000 0.000 0.000) 0.000 17.130 ( -0.000 0.000 0.000) 0.000 17.477 ( -0.000 0.000 0.000) 0.000 17.482 ( 0.000 -0.000 0.000) 0.000 17.855 ( 0.000 0.000 0.000) 0.000 18.259 ( 0.000 0.000 0.000) 0.000 18.608 ( 0.000 0.000 0.000) 0.000 20.435 ( 0.000 0.000 0.000) 0.000 20.518 ( 0.000 -0.000 0.000) 0.000 20.546 ( -0.000 0.000 0.000) 0.000 20.756 ( 0.000 0.000 0.000) 0.000 20.801 ( 0.000 0.000 0.000) 0.000 22.183 ( 0.000 0.000 0.000) 0.000 28.966 ( 0.000 0.000 0.000) 0.000 29.767 ( 0.000 0.000 0.000) 0.000 32.148 ( 0.000 0.000 0.000) 0.000 32.244 ( 0.000 0.000 0.000) 0.000 32.646 ( 0.000 0.000 0.000) 0.000 33.190 ( 0.000 0.000 0.000) 0.000 33.584 ( 0.000 0.000 0.000) 0.000 33.815 ( 0.000 0.000 0.000) 0.000 33.822 ( 0.000 0.000 0.000) 0.000 34.168 ( 0.000 0.000 0.000) 0.000 34.766 ( 0.000 0.000 0.000) 0.000 35.577 ( 0.000 0.000 0.000) 0.000 37.412 ( 0.000 0.000 0.000) 0.000 37.694 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/78) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 22.201 38.127 0.000) 44.120 1.746 ( 24.963 43.946 0.000) 50.541 2.657 ( 27.993 50.776 0.000) 57.981 3.183 ( 6.690 7.342 0.000) 9.933 3.448 ( 15.552 30.283 0.000) 34.043 3.587 ( 8.886 18.297 0.000) 20.341 3.994 ( 28.788 44.434 0.000) 52.944 5.084 ( 5.723 15.895 0.000) 16.894 5.534 ( 18.854 28.914 0.000) 34.518 6.179 ( -4.134 -9.537 0.000) 10.394 6.333 ( 0.029 1.142 0.000) 1.142 6.488 ( 6.494 6.844 0.000) 9.435 6.790 ( 1.701 7.980 0.000) 8.159 7.914 ( -6.716 -11.470 0.000) 13.291 8.506 ( 14.375 24.424 0.000) 28.340 9.356 ( 2.414 4.276 0.000) 4.910 9.947 ( -1.784 -5.186 0.000) 5.485 10.215 ( 1.334 6.449 0.000) 6.585 10.349 ( 4.151 5.323 0.000) 6.750 10.445 ( 2.142 3.554 0.000) 4.150 11.291 ( 7.142 12.127 0.000) 14.074 11.333 ( -0.684 -1.285 0.000) 1.456 11.726 ( -0.383 -0.334 0.000) 0.508 12.479 ( -8.816 -18.276 0.000) 20.291 12.664 ( -8.096 -9.204 0.000) 12.258 13.517 ( -6.884 -14.149 0.000) 15.735 13.526 ( 6.732 -8.017 0.000) 10.469 13.637 ( -7.007 -5.754 0.000) 9.066 13.807 ( -14.016 1.757 0.000) 14.126 13.942 ( 2.714 -1.937 0.000) 3.334 14.156 ( 0.589 0.676 0.000) 0.897 14.270 ( 7.988 6.820 0.000) 10.504 15.977 ( -17.950 -31.779 0.000) 36.498 16.193 ( -39.725 -13.128 0.000) 41.838 16.470 ( 1.291 -2.823 0.000) 3.104 16.899 ( 26.273 -50.569 0.000) 56.987 17.382 ( -2.593 1.795 0.000) 3.154 17.887 ( -14.655 20.265 0.000) 25.009 18.573 ( 13.422 22.368 0.000) 26.086 19.685 ( -21.133 2.556 0.000) 21.287 19.835 ( 2.884 0.480 0.000) 2.924 19.982 ( 22.277 -12.833 0.000) 25.709 20.029 ( 4.713 11.880 0.000) 12.781 20.499 ( -4.756 0.026 0.000) 4.756 20.822 ( -2.718 -3.255 0.000) 4.241 21.721 ( 8.073 14.235 0.000) 16.365 29.657 ( -6.274 -10.884 0.000) 12.563 31.634 ( -20.317 -34.814 0.000) 40.309 32.202 ( 0.540 0.718 0.000) 0.899 32.211 ( 1.639 3.473 0.000) 3.840 32.452 ( 8.550 14.381 0.000) 16.731 32.558 ( 9.750 15.460 0.000) 18.278 33.409 ( 1.984 3.786 0.000) 4.275 33.411 ( -0.299 -0.667 0.000) 0.730 33.896 ( -7.809 -10.798 0.000) 13.326 33.949 ( -3.598 -7.967 0.000) 8.741 34.645 ( 15.138 26.165 0.000) 30.228 35.226 ( -2.891 -4.997 0.000) 5.773 37.616 ( 0.823 1.292 0.000) 1.532 37.720 ( -3.779 -6.559 0.000) 7.569 ======================= Grid point 15 (9/78) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 33.607 36.881 0.000) 49.897 2.602 ( 22.796 34.283 0.000) 41.170 2.908 ( -10.634 0.767 0.000) 10.661 3.906 ( 8.639 11.818 0.000) 14.639 3.990 ( 40.212 34.487 0.000) 52.974 4.090 ( 17.008 36.224 0.000) 40.018 5.062 ( 37.451 39.636 0.000) 54.531 5.360 ( 9.352 15.989 0.000) 18.523 6.188 ( 7.953 6.313 0.000) 10.154 6.252 ( 30.869 23.176 0.000) 38.601 6.361 ( -1.410 6.088 0.000) 6.249 6.760 ( 15.277 9.754 0.000) 18.125 6.913 ( 4.723 7.424 0.000) 8.799 7.648 ( -9.380 -10.904 0.000) 14.383 9.015 ( 18.758 16.213 0.000) 24.794 9.481 ( 4.669 7.910 0.000) 9.185 9.879 ( 0.280 -5.690 0.000) 5.696 10.241 ( -5.076 6.644 0.000) 8.361 10.531 ( 2.750 3.557 0.000) 4.496 10.554 ( 10.875 5.588 0.000) 12.226 11.303 ( -1.813 0.276 0.000) 1.834 11.534 ( 6.394 8.181 0.000) 10.384 11.718 ( 0.505 -1.526 0.000) 1.607 12.076 ( -11.779 -23.749 0.000) 26.510 12.399 ( -11.490 -5.349 0.000) 12.674 13.133 ( -14.709 -19.043 0.000) 24.062 13.405 ( -21.950 -8.871 0.000) 23.675 13.473 ( -4.319 -12.299 0.000) 13.036 13.619 ( 3.887 -1.670 0.000) 4.231 13.961 ( -1.161 3.182 0.000) 3.387 14.152 ( -1.558 0.186 0.000) 1.569 14.414 ( 0.554 3.040 0.000) 3.090 15.234 ( -48.141 -12.653 0.000) 49.776 15.414 ( -13.233 -21.185 0.000) 24.979 16.497 ( 10.767 -12.204 0.000) 16.275 16.951 ( 35.161 -54.433 0.000) 64.802 17.360 ( -6.780 11.388 0.000) 13.254 17.815 ( -18.186 26.447 0.000) 32.096 18.941 ( 4.843 14.650 0.000) 15.430 19.293 ( -23.396 0.877 0.000) 23.412 19.952 ( 12.076 -2.038 0.000) 12.246 20.133 ( 13.668 -18.691 0.000) 23.155 20.236 ( 3.937 12.616 0.000) 13.216 20.514 ( -1.516 11.607 0.000) 11.706 20.779 ( -1.820 2.905 0.000) 3.428 21.983 ( 8.761 6.548 0.000) 10.938 29.424 ( -7.963 -8.933 0.000) 11.967 30.921 ( -21.756 -28.837 0.000) 36.123 32.214 ( -4.721 9.540 0.000) 10.644 32.251 ( -3.362 8.495 0.000) 9.136 32.817 ( 18.841 5.992 0.000) 19.771 32.950 ( 19.969 5.501 0.000) 20.713 33.367 ( -2.271 -5.681 0.000) 6.118 33.495 ( 1.456 6.759 0.000) 6.914 33.553 ( -13.144 -8.618 0.000) 15.717 33.898 ( -1.746 1.495 0.000) 2.299 35.070 ( 0.800 6.112 0.000) 6.164 35.147 ( 7.856 3.480 0.000) 8.592 37.577 ( -4.700 -5.746 0.000) 7.423 37.645 ( 1.324 0.386 0.000) 1.379 ======================= Grid point 16 (10/78) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -19.856 -20.711 0.000) 28.692 3.191 ( 37.687 35.591 0.000) 51.836 3.397 ( 14.485 41.545 0.000) 43.998 4.120 ( 5.190 7.213 0.000) 8.886 4.717 ( 11.079 36.000 0.000) 37.666 4.892 ( 30.062 17.527 0.000) 34.799 5.468 ( -6.192 20.160 0.000) 21.089 6.237 ( 42.976 23.719 0.000) 49.087 6.358 ( -6.323 9.794 0.000) 11.658 6.479 ( 0.605 19.818 0.000) 19.828 7.042 ( 35.515 15.661 0.000) 38.815 7.100 ( 17.244 9.746 0.000) 19.808 7.375 ( 38.709 8.429 0.000) 39.616 7.430 ( -2.463 -5.365 0.000) 5.903 9.462 ( 18.175 5.450 0.000) 18.974 9.668 ( 4.949 12.042 0.000) 13.019 9.815 ( -1.570 -7.564 0.000) 7.725 10.191 ( -3.026 -1.625 0.000) 3.435 10.560 ( -2.336 -2.104 0.000) 3.144 10.757 ( 3.989 1.702 0.000) 4.337 11.296 ( -1.587 5.343 0.000) 5.574 11.480 ( -16.331 -4.380 0.000) 16.908 11.704 ( 1.597 -5.942 0.000) 6.153 11.764 ( 2.045 -15.922 0.000) 16.053 12.212 ( -7.704 4.153 0.000) 8.752 12.658 ( -13.818 -23.471 0.000) 27.236 12.887 ( -24.418 -3.850 0.000) 24.719 13.200 ( -14.533 -8.213 0.000) 16.693 13.642 ( 0.906 -6.780 0.000) 6.840 13.934 ( -11.402 7.455 0.000) 13.623 14.116 ( -1.261 -3.091 0.000) 3.338 14.375 ( -5.230 3.049 0.000) 6.054 14.386 ( -30.001 -8.384 0.000) 31.151 15.077 ( -7.530 -12.745 0.000) 14.803 16.592 ( 22.014 -27.484 0.000) 35.213 16.977 ( 29.033 -52.410 0.000) 59.914 17.400 ( -7.344 22.362 0.000) 23.537 17.814 ( -14.112 29.372 0.000) 32.586 18.941 ( -17.868 3.032 0.000) 18.124 19.016 ( -9.307 9.467 0.000) 13.276 20.159 ( 11.011 -16.453 0.000) 19.798 20.207 ( 17.776 -2.125 0.000) 17.902 20.405 ( 2.046 9.759 0.000) 9.971 20.608 ( -2.168 11.619 0.000) 11.820 20.802 ( -0.882 4.997 0.000) 5.074 22.140 ( 4.979 0.360 0.000) 4.992 29.215 ( -7.019 -5.842 0.000) 9.132 30.325 ( -16.530 -21.206 0.000) 26.887 32.232 ( -5.273 11.257 0.000) 12.431 32.279 ( -4.104 10.285 0.000) 11.073 33.108 ( -11.841 -7.993 0.000) 14.286 33.189 ( 19.159 -0.198 0.000) 19.160 33.227 ( 5.497 -8.057 0.000) 9.753 33.523 ( 12.836 4.034 0.000) 13.455 33.591 ( 0.312 8.816 0.000) 8.821 33.897 ( -2.674 5.253 0.000) 5.894 34.966 ( -5.645 -2.196 0.000) 6.057 35.404 ( 8.229 4.163 0.000) 9.222 37.460 ( -2.766 -3.598 0.000) 4.539 37.666 ( 1.272 -0.773 0.000) 1.489 ======================= Grid point 17 (11/78) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -20.485 -23.107 0.000) 30.880 3.975 ( 8.208 30.303 0.000) 31.395 4.167 ( 30.313 33.784 0.000) 45.390 4.259 ( 1.915 9.991 0.000) 10.172 5.180 ( 3.081 30.552 0.000) 30.707 5.403 ( 14.596 7.811 0.000) 16.555 5.490 ( -7.741 10.672 0.000) 13.184 6.275 ( -14.053 10.698 0.000) 17.662 6.589 ( -8.402 18.405 0.000) 20.232 6.842 ( 2.103 12.839 0.000) 13.010 7.648 ( 29.814 1.985 0.000) 29.880 7.682 ( 34.819 10.006 0.000) 36.229 7.821 ( 33.808 14.813 0.000) 36.910 8.279 ( 47.796 12.375 0.000) 49.372 9.596 ( -9.678 -17.729 0.000) 20.198 9.676 ( 3.655 -1.486 0.000) 3.945 9.909 ( 7.912 6.737 0.000) 10.392 10.138 ( 8.358 -16.121 0.000) 18.158 10.367 ( -10.662 -11.124 0.000) 15.409 10.585 ( -23.165 2.319 0.000) 23.280 11.253 ( -5.598 -6.232 0.000) 8.377 11.345 ( -1.057 6.338 0.000) 6.425 11.590 ( -5.942 -4.722 0.000) 7.590 11.624 ( 0.120 -14.091 0.000) 14.091 12.209 ( -0.728 7.631 0.000) 7.666 12.213 ( -10.242 -18.367 0.000) 21.030 12.601 ( -8.405 4.660 0.000) 9.611 12.865 ( -21.407 9.096 0.000) 23.259 13.483 ( -9.952 -6.589 0.000) 11.936 13.596 ( -21.333 -2.494 0.000) 21.479 14.012 ( -4.492 -0.719 0.000) 4.549 14.203 ( 1.176 1.042 0.000) 1.571 14.381 ( 0.837 5.604 0.000) 5.666 14.834 ( -7.839 -9.283 0.000) 12.150 16.668 ( 23.833 -38.810 0.000) 45.544 16.907 ( 21.580 -48.574 0.000) 53.152 17.580 ( -0.179 26.506 0.000) 26.507 17.908 ( -10.350 31.009 0.000) 32.690 18.730 ( -9.923 2.717 0.000) 10.288 18.855 ( -17.963 8.375 0.000) 19.819 20.200 ( 10.943 -14.041 0.000) 17.802 20.460 ( 4.698 5.095 0.000) 6.930 20.520 ( 9.953 -1.801 0.000) 10.114 20.671 ( -1.170 6.902 0.000) 7.000 20.832 ( -3.352 7.950 0.000) 8.628 22.174 ( 1.353 -3.436 0.000) 3.693 29.066 ( -4.972 -2.553 0.000) 5.589 29.920 ( -8.803 -14.531 0.000) 16.990 32.254 ( -5.610 11.654 0.000) 12.934 32.317 ( -4.110 11.090 0.000) 11.827 32.838 ( -9.853 -4.613 0.000) 10.879 33.193 ( 0.198 -4.813 0.000) 4.817 33.455 ( 12.470 -3.313 0.000) 12.903 33.688 ( 1.728 7.037 0.000) 7.246 33.823 ( 15.551 -3.729 0.000) 15.991 33.903 ( -2.254 7.199 0.000) 7.544 34.861 ( -4.708 -0.027 0.000) 4.708 35.515 ( 3.709 -1.497 0.000) 4.000 37.408 ( -0.301 -1.856 0.000) 1.880 37.674 ( 1.081 -1.739 0.000) 2.048 ======================= Grid point 18 (12/78) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -5.347 -16.349 0.000) 17.201 4.211 ( -1.679 7.737 0.000) 7.917 4.464 ( -0.139 23.310 0.000) 23.311 4.756 ( -2.235 22.155 0.000) 22.267 5.460 ( -9.336 28.795 0.000) 30.270 5.521 ( 10.557 5.264 0.000) 11.797 5.596 ( -1.967 9.030 0.000) 9.242 6.136 ( -10.059 7.611 0.000) 12.614 6.592 ( -9.505 13.047 0.000) 16.142 6.872 ( -8.561 10.112 0.000) 13.249 8.079 ( 14.845 -2.692 0.000) 15.088 8.440 ( 37.628 9.677 0.000) 38.852 8.488 ( 23.032 7.424 0.000) 24.199 9.084 ( 20.864 2.088 0.000) 20.969 9.203 ( -3.436 -26.809 0.000) 27.028 9.595 ( -11.363 -1.544 0.000) 11.467 9.813 ( -0.089 -21.637 0.000) 21.638 10.126 ( -16.375 -3.508 0.000) 16.746 10.205 ( -0.479 0.485 0.000) 0.682 10.225 ( 8.316 -9.916 0.000) 12.942 11.042 ( -3.377 -12.050 0.000) 12.514 11.336 ( 1.805 -12.830 0.000) 12.956 11.447 ( -0.529 -11.606 0.000) 11.618 11.600 ( -3.044 17.722 0.000) 17.982 12.036 ( -2.617 5.940 0.000) 6.491 12.281 ( 0.427 2.320 0.000) 2.359 12.601 ( -2.823 11.460 0.000) 11.803 12.658 ( -19.003 19.061 0.000) 26.916 13.250 ( -8.428 -1.650 0.000) 8.588 13.340 ( -5.874 1.784 0.000) 6.139 13.950 ( -2.838 1.048 0.000) 3.025 14.246 ( 1.207 1.753 0.000) 2.128 14.452 ( -0.658 1.826 0.000) 1.941 14.643 ( -2.932 -4.799 0.000) 5.624 16.634 ( 18.906 -41.128 0.000) 45.266 16.762 ( 16.856 -45.863 0.000) 48.863 17.913 ( 10.508 19.112 0.000) 21.810 18.070 ( -8.090 32.578 0.000) 33.568 18.597 ( -23.375 14.369 0.000) 27.439 18.626 ( -4.250 0.357 0.000) 4.265 20.231 ( 8.070 -14.719 0.000) 16.786 20.471 ( -3.656 0.274 0.000) 3.666 20.699 ( 9.836 -2.855 0.000) 10.242 20.706 ( 2.241 -1.911 0.000) 2.945 20.852 ( -7.465 15.229 0.000) 16.960 22.149 ( 1.185 -4.301 0.000) 4.462 28.989 ( -2.363 0.230 0.000) 2.375 29.721 ( -0.400 -8.849 0.000) 8.858 32.268 ( -6.238 11.472 0.000) 13.058 32.352 ( -5.155 11.350 0.000) 12.466 32.684 ( -4.479 -0.655 0.000) 4.526 33.163 ( 1.178 -2.946 0.000) 3.173 33.560 ( 3.016 -1.833 0.000) 3.529 33.780 ( 3.586 0.348 0.000) 3.602 33.842 ( -2.875 -1.148 0.000) 3.095 34.069 ( 9.514 -1.319 0.000) 9.605 34.804 ( -2.923 2.106 0.000) 3.603 35.536 ( 2.357 -3.615 0.000) 4.315 37.398 ( 0.687 -1.427 0.000) 1.584 37.672 ( 1.094 -2.276 0.000) 2.525 ======================= Grid point 19 (13/78) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 18.740 -0.507 0.000) 18.747 4.176 ( -9.225 4.771 0.000) 10.385 4.582 ( -24.343 -1.002 0.000) 24.364 4.588 ( -10.731 17.439 0.000) 20.476 5.480 ( -18.776 25.358 0.000) 31.553 5.548 ( -11.783 8.371 0.000) 14.453 5.819 ( 2.771 16.839 0.000) 17.066 6.120 ( -0.247 5.957 0.000) 5.962 6.511 ( -12.214 8.360 0.000) 14.801 6.731 ( -12.472 0.335 0.000) 12.476 8.131 ( -2.352 -12.713 0.000) 12.929 8.405 ( -18.959 -19.177 0.000) 26.966 8.675 ( -30.299 -16.870 0.000) 34.679 9.078 ( -17.950 -20.851 0.000) 27.512 9.217 ( 23.573 -2.597 0.000) 23.716 9.275 ( 26.554 -8.112 0.000) 27.766 9.814 ( -3.879 -5.706 0.000) 6.900 9.918 ( 4.189 -6.734 0.000) 7.931 10.378 ( 15.388 12.725 0.000) 19.968 10.470 ( 18.719 -1.653 0.000) 18.792 10.957 ( -0.489 0.509 0.000) 0.706 11.093 ( -6.139 -16.597 0.000) 17.696 11.554 ( 21.187 -9.656 0.000) 23.284 11.759 ( -1.573 18.485 0.000) 18.552 12.094 ( -6.862 14.201 0.000) 15.772 12.220 ( -5.261 -3.027 0.000) 6.070 12.615 ( -5.611 17.951 0.000) 18.808 12.664 ( -4.619 11.001 0.000) 11.931 13.275 ( 7.312 11.067 0.000) 13.264 13.435 ( 6.007 15.987 0.000) 17.078 13.936 ( -0.263 1.887 0.000) 1.906 14.270 ( -0.956 2.641 0.000) 2.809 14.345 ( -4.764 -6.804 0.000) 8.306 14.670 ( 4.599 0.391 0.000) 4.616 16.520 ( 15.374 -39.403 0.000) 42.296 16.577 ( 15.400 -46.212 0.000) 48.711 18.195 ( 1.672 -5.840 0.000) 6.075 18.285 ( -6.582 35.630 0.000) 36.233 18.456 ( -12.063 39.117 0.000) 40.935 18.574 ( -0.968 -2.019 0.000) 2.239 20.163 ( 3.674 -18.672 0.000) 19.030 20.356 ( -4.827 -7.902 0.000) 9.260 20.718 ( 2.010 -2.887 0.000) 3.518 20.785 ( 2.242 -1.556 0.000) 2.729 20.874 ( -7.980 15.156 0.000) 17.129 22.149 ( 3.122 -3.249 0.000) 4.506 28.988 ( 0.899 2.030 0.000) 2.220 29.724 ( 8.087 -3.801 0.000) 8.936 32.266 ( -6.939 11.038 0.000) 13.038 32.360 ( -6.846 11.003 0.000) 12.959 32.669 ( 1.775 2.201 0.000) 2.828 33.179 ( 3.046 -1.279 0.000) 3.303 33.541 ( -1.148 -4.871 0.000) 5.004 33.753 ( -2.946 -6.130 0.000) 6.801 33.799 ( -0.807 -1.553 0.000) 1.750 34.150 ( 1.370 -1.492 0.000) 2.026 34.803 ( -0.451 3.457 0.000) 3.486 35.539 ( 2.094 -3.637 0.000) 4.197 37.396 ( 0.784 -1.445 0.000) 1.644 37.668 ( 1.216 -2.344 0.000) 2.641 ======================= Grid point 20 (14/78) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 27.882 7.581 0.000) 28.894 3.967 ( -22.370 7.398 0.000) 23.561 3.969 ( -36.426 -12.249 0.000) 38.430 4.448 ( -18.384 7.714 0.000) 19.937 5.288 ( -29.855 20.159 0.000) 36.024 5.371 ( -13.076 -2.984 0.000) 13.412 5.835 ( -22.834 19.390 0.000) 29.956 6.198 ( 0.359 5.581 0.000) 5.593 6.349 ( -13.768 8.142 0.000) 15.995 6.581 ( 0.736 -6.944 0.000) 6.983 7.544 ( -27.677 -35.774 0.000) 45.231 7.872 ( -33.954 -20.522 0.000) 39.674 7.920 ( -19.930 -11.602 0.000) 23.061 8.339 ( -29.494 -26.916 0.000) 39.930 9.526 ( 4.875 -5.889 0.000) 7.645 9.603 ( 13.035 -2.914 0.000) 13.357 9.860 ( -2.404 -3.031 0.000) 3.869 9.984 ( 24.731 -4.457 0.000) 25.129 10.633 ( -1.837 6.305 0.000) 6.568 10.778 ( 13.693 7.701 0.000) 15.710 10.972 ( -3.274 5.800 0.000) 6.661 10.983 ( 9.134 -4.054 0.000) 9.993 11.843 ( 1.311 -2.281 0.000) 2.630 11.855 ( 13.149 -9.176 0.000) 16.034 12.149 ( 10.931 8.931 0.000) 14.116 12.164 ( -2.862 9.050 0.000) 9.492 12.702 ( -1.269 11.012 0.000) 11.085 12.800 ( 5.585 15.728 0.000) 16.690 13.659 ( 15.000 20.567 0.000) 25.456 13.786 ( 6.068 17.405 0.000) 18.432 14.019 ( 7.749 8.037 0.000) 11.164 14.203 ( -3.226 -7.272 0.000) 7.955 14.299 ( -0.099 11.391 0.000) 11.392 14.760 ( 8.751 -5.232 0.000) 10.196 16.377 ( 16.910 -48.286 0.000) 51.161 16.405 ( 13.837 -32.622 0.000) 35.435 17.993 ( -17.423 5.185 0.000) 18.179 18.501 ( -9.226 16.049 0.000) 18.512 18.607 ( 5.012 19.370 0.000) 20.008 18.789 ( 3.742 26.693 0.000) 26.954 20.010 ( 3.662 -22.179 0.000) 22.480 20.154 ( -4.469 -14.574 0.000) 15.244 20.714 ( -1.558 1.029 0.000) 1.868 20.743 ( -5.382 -1.212 0.000) 5.517 20.868 ( -6.788 9.128 0.000) 11.375 22.173 ( 2.333 -2.982 0.000) 3.786 29.063 ( 4.753 2.926 0.000) 5.582 29.928 ( 16.955 0.603 0.000) 16.966 32.250 ( -7.326 10.632 0.000) 12.912 32.337 ( -7.978 10.456 0.000) 13.152 32.791 ( 8.703 3.610 0.000) 9.422 33.236 ( 4.061 -0.880 0.000) 4.155 33.414 ( -3.849 -11.983 0.000) 12.586 33.615 ( -2.756 -10.757 0.000) 11.105 33.731 ( -6.463 1.539 0.000) 6.643 34.098 ( -6.261 0.632 0.000) 6.293 34.858 ( 2.418 3.945 0.000) 4.627 35.521 ( -0.654 -3.791 0.000) 3.847 37.404 ( 1.806 -0.774 0.000) 1.965 37.666 ( 1.013 -2.044 0.000) 2.282 ======================= Grid point 21 (15/78) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 21.991 6.294 0.000) 22.874 3.107 ( -44.749 -13.945 0.000) 46.871 3.529 ( -37.336 11.405 0.000) 39.039 4.140 ( -17.329 -5.614 0.000) 18.215 4.830 ( -40.445 11.830 0.000) 42.139 4.937 ( -27.994 -14.392 0.000) 31.477 5.493 ( -28.754 5.763 0.000) 29.326 6.132 ( -8.422 2.625 0.000) 8.822 6.324 ( -3.143 10.080 0.000) 10.559 6.326 ( -31.205 -11.213 0.000) 33.158 6.761 ( -17.367 -28.658 0.000) 33.510 7.160 ( -24.708 -15.489 0.000) 29.162 7.560 ( -5.380 -3.605 0.000) 6.476 7.591 ( -27.582 -17.641 0.000) 32.741 9.363 ( -10.291 -10.491 0.000) 14.696 9.706 ( -12.507 -0.504 0.000) 12.517 9.742 ( 7.062 -1.644 0.000) 7.251 10.263 ( 6.027 1.686 0.000) 6.259 10.609 ( -2.725 -0.388 0.000) 2.753 10.805 ( -9.178 -6.111 0.000) 11.026 11.159 ( 6.928 4.596 0.000) 8.314 11.288 ( 22.940 14.062 0.000) 26.907 11.810 ( -3.063 -4.396 0.000) 5.358 11.830 ( 4.720 -9.208 0.000) 10.347 12.248 ( 2.128 9.321 0.000) 9.561 12.649 ( 31.311 1.110 0.000) 31.331 12.895 ( 8.135 14.213 0.000) 16.377 13.106 ( 13.688 10.241 0.000) 17.095 13.885 ( -2.024 5.268 0.000) 5.643 14.069 ( 2.575 -12.056 0.000) 12.328 14.121 ( 4.941 23.177 0.000) 23.698 14.159 ( 0.971 0.341 0.000) 1.029 14.796 ( 20.364 44.517 0.000) 48.954 14.920 ( 18.564 -6.100 0.000) 19.540 16.213 ( 21.707 -49.613 0.000) 54.154 16.361 ( 12.045 -20.606 0.000) 23.868 17.734 ( -17.828 5.524 0.000) 18.664 18.411 ( -7.925 -0.533 0.000) 7.943 19.009 ( 6.626 35.378 0.000) 35.994 19.027 ( -4.203 17.381 0.000) 17.882 19.867 ( 6.915 -23.957 0.000) 24.935 19.940 ( -1.588 -14.485 0.000) 14.572 20.574 ( -11.775 -1.997 0.000) 11.943 20.677 ( -4.775 2.269 0.000) 5.286 20.828 ( -5.438 4.865 0.000) 7.296 22.139 ( -2.730 -4.150 0.000) 4.968 29.213 ( 8.659 3.156 0.000) 9.216 30.333 ( 26.483 3.720 0.000) 26.743 32.228 ( -7.097 10.278 0.000) 12.490 32.299 ( -7.712 9.502 0.000) 12.238 33.033 ( 14.145 1.743 0.000) 14.252 33.160 ( -8.735 -15.762 0.000) 18.021 33.231 ( -2.479 -8.571 0.000) 8.922 33.497 ( 1.041 -2.961 0.000) 3.138 33.620 ( -8.484 3.127 0.000) 9.042 33.977 ( -7.963 2.309 0.000) 8.291 34.963 ( 4.787 3.749 0.000) 6.080 35.408 ( -7.858 -5.016 0.000) 9.323 37.458 ( 4.614 0.603 0.000) 4.653 37.660 ( 0.217 -1.509 0.000) 1.525 ======================= Grid point 22 (16/78) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -47.286 -9.446 0.000) 48.220 2.525 ( -28.842 2.577 0.000) 28.957 3.091 ( -8.541 0.528 0.000) 8.557 3.699 ( -30.494 -3.933 0.000) 30.747 4.149 ( -42.485 1.106 0.000) 42.499 4.152 ( -37.216 -15.373 0.000) 40.266 4.895 ( -42.044 -5.418 0.000) 42.391 5.558 ( -32.243 -9.248 0.000) 33.543 6.070 ( -1.421 3.920 0.000) 4.170 6.165 ( -29.987 -11.040 0.000) 31.955 6.348 ( -3.098 5.233 0.000) 6.081 6.708 ( -14.491 -6.384 0.000) 15.835 7.061 ( -17.296 -8.598 0.000) 19.315 7.661 ( 12.665 1.711 0.000) 12.780 8.991 ( -21.603 -6.514 0.000) 22.563 9.489 ( -9.950 -0.751 0.000) 9.979 9.843 ( 5.799 -0.196 0.000) 5.802 10.296 ( -4.295 4.698 0.000) 6.365 10.532 ( -4.884 -0.698 0.000) 4.934 10.544 ( -10.841 -7.055 0.000) 12.934 11.284 ( 2.892 2.948 0.000) 4.130 11.518 ( -8.215 -0.156 0.000) 8.216 11.738 ( -0.806 -2.420 0.000) 2.550 12.045 ( 25.840 0.749 0.000) 25.851 12.443 ( 11.054 4.096 0.000) 11.789 13.153 ( 23.555 1.829 0.000) 23.626 13.229 ( 12.309 13.628 0.000) 18.364 13.444 ( 16.457 0.278 0.000) 16.459 13.899 ( -2.053 6.083 0.000) 6.420 13.932 ( -0.832 -13.432 0.000) 13.458 14.162 ( -0.387 0.441 0.000) 0.587 14.326 ( -1.841 8.157 0.000) 8.362 15.348 ( 29.919 4.331 0.000) 30.231 15.711 ( 25.345 47.453 0.000) 53.797 16.182 ( 31.086 -40.464 0.000) 51.026 16.401 ( 7.838 -6.852 0.000) 10.411 17.500 ( -11.262 0.509 0.000) 11.273 18.214 ( -9.505 -8.585 0.000) 12.808 18.946 ( -16.588 3.349 0.000) 16.923 19.526 ( 9.895 35.243 0.000) 36.606 19.765 ( 8.731 -23.356 0.000) 24.934 19.844 ( 0.594 -3.638 0.000) 3.687 20.307 ( -14.909 -2.950 0.000) 15.198 20.589 ( -6.077 -0.529 0.000) 6.100 20.795 ( -2.052 2.572 0.000) 3.290 21.983 ( -9.966 -4.330 0.000) 10.866 29.424 ( 11.759 2.470 0.000) 12.016 30.925 ( 35.760 4.168 0.000) 36.003 32.212 ( -5.895 9.065 0.000) 10.813 32.261 ( -6.196 6.979 0.000) 9.332 32.807 ( -14.135 -12.686 0.000) 18.993 32.919 ( -13.188 -12.981 0.000) 18.505 33.328 ( 9.084 2.937 0.000) 9.547 33.505 ( -7.059 1.423 0.000) 7.201 33.609 ( 11.638 2.261 0.000) 11.856 33.903 ( -2.136 1.823 0.000) 2.808 35.066 ( -5.516 2.271 0.000) 5.965 35.150 ( -7.136 -4.959 0.000) 8.690 37.576 ( 7.377 1.242 0.000) 7.481 37.642 ( -0.871 -0.784 0.000) 1.172 ======================= Grid point 27 (17/78) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -11.594 -20.953 0.000) 23.946 2.995 ( 27.420 41.699 0.000) 49.907 3.656 ( 16.184 44.916 0.000) 47.743 4.059 ( 9.812 9.161 0.000) 13.423 4.713 ( 14.094 31.464 0.000) 34.476 4.953 ( 17.911 45.835 0.000) 49.210 5.677 ( 31.806 21.676 0.000) 38.490 5.967 ( -2.706 41.435 0.000) 41.524 6.339 ( 20.367 7.687 0.000) 21.769 6.529 ( 9.545 8.274 0.000) 12.632 6.604 ( 22.296 8.484 0.000) 23.856 6.962 ( 12.199 13.918 0.000) 18.508 7.228 ( -6.804 22.543 0.000) 23.548 7.481 ( -5.737 -2.153 0.000) 6.127 9.281 ( 9.530 10.185 0.000) 13.948 9.693 ( 5.579 11.393 0.000) 12.686 9.749 ( -1.348 -7.104 0.000) 7.231 10.254 ( -8.115 -8.946 0.000) 12.079 10.586 ( -0.799 1.383 0.000) 1.597 10.736 ( 6.233 12.512 0.000) 13.979 11.277 ( 3.345 -4.705 0.000) 5.773 11.541 ( -1.185 -23.112 0.000) 23.143 11.665 ( -7.270 0.613 0.000) 7.296 11.709 ( -3.949 1.704 0.000) 4.301 12.320 ( -2.931 -2.071 0.000) 3.589 12.655 ( -14.897 -26.024 0.000) 29.986 13.124 ( -3.745 -13.793 0.000) 14.292 13.237 ( -3.238 -11.011 0.000) 11.477 13.738 ( -14.125 9.332 0.000) 16.930 13.981 ( 4.363 -0.306 0.000) 4.373 14.149 ( -2.191 -0.649 0.000) 2.285 14.444 ( 3.050 -0.111 0.000) 3.052 14.926 ( -2.481 -26.130 0.000) 26.248 15.176 ( -53.166 4.850 0.000) 53.387 15.863 ( 34.927 -50.559 0.000) 61.450 16.184 ( -3.305 -15.338 0.000) 15.691 17.677 ( -1.190 16.306 0.000) 16.349 18.233 ( -8.319 14.932 0.000) 17.093 19.243 ( 3.332 13.990 0.000) 14.381 19.369 ( -23.770 6.184 0.000) 24.561 19.701 ( 20.151 -21.792 0.000) 29.681 19.849 ( 9.629 -6.464 0.000) 11.598 20.503 ( 1.544 12.102 0.000) 12.200 20.666 ( 0.548 3.364 0.000) 3.409 20.890 ( 2.511 7.149 0.000) 7.577 22.085 ( 1.915 3.228 0.000) 3.753 29.248 ( -4.514 -7.984 0.000) 9.171 30.361 ( -14.946 -25.287 0.000) 29.374 32.396 ( 4.325 7.374 0.000) 8.548 32.440 ( 3.353 8.974 0.000) 9.580 32.952 ( 5.851 8.338 0.000) 10.186 33.007 ( 4.503 -1.675 0.000) 4.804 33.168 ( -4.244 -7.204 0.000) 8.361 33.466 ( -2.828 -3.017 0.000) 4.136 33.646 ( 3.130 7.104 0.000) 7.763 33.982 ( 0.900 6.024 0.000) 6.091 35.013 ( -2.368 -4.389 0.000) 4.987 35.342 ( 4.523 8.158 0.000) 9.328 37.465 ( -2.688 -4.849 0.000) 5.544 37.644 ( 0.057 -0.435 0.000) 0.439 ======================= Grid point 28 (18/78) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -20.711 -27.848 0.000) 34.706 3.942 ( 33.285 37.366 0.000) 50.041 4.217 ( 0.427 23.278 0.000) 23.282 4.363 ( 10.360 26.986 0.000) 28.906 5.221 ( 15.165 17.084 0.000) 22.844 5.607 ( -0.573 49.367 0.000) 49.370 5.918 ( -17.088 21.824 0.000) 27.718 6.636 ( -4.414 17.246 0.000) 17.802 6.726 ( 35.470 24.116 0.000) 42.892 6.907 ( 9.973 20.244 0.000) 22.568 7.105 ( 30.085 -4.067 0.000) 30.358 7.338 ( 4.177 15.455 0.000) 16.009 7.500 ( 8.058 9.081 0.000) 12.140 7.536 ( 41.236 7.631 0.000) 41.936 9.520 ( 9.645 0.270 0.000) 9.649 9.585 ( -8.203 -16.080 0.000) 18.052 9.864 ( 3.857 3.959 0.000) 5.527 9.897 ( -6.699 -24.744 0.000) 25.635 10.483 ( -9.553 -3.495 0.000) 10.172 10.888 ( -4.673 4.693 0.000) 6.623 11.256 ( -6.496 -11.002 0.000) 12.776 11.275 ( 3.684 -11.807 0.000) 12.368 11.605 ( -1.201 -2.356 0.000) 2.644 11.610 ( -7.206 -4.634 0.000) 8.567 12.214 ( -8.556 -13.186 0.000) 15.719 12.296 ( -1.288 3.857 0.000) 4.067 12.885 ( -11.823 4.032 0.000) 12.492 13.112 ( -3.124 -0.367 0.000) 3.145 13.628 ( -10.901 5.134 0.000) 12.050 14.027 ( -5.523 -4.882 0.000) 7.372 14.051 ( -6.033 2.846 0.000) 6.671 14.421 ( -34.598 9.766 0.000) 35.950 14.427 ( -2.049 2.198 0.000) 3.004 14.749 ( 5.203 -19.462 0.000) 20.145 15.954 ( 30.531 -46.860 0.000) 55.928 15.996 ( 7.401 -28.069 0.000) 29.029 17.799 ( -1.880 13.841 0.000) 13.968 18.257 ( -5.118 13.387 0.000) 14.332 19.066 ( -19.542 9.984 0.000) 21.945 19.283 ( -14.313 16.798 0.000) 22.069 19.825 ( 15.856 -15.508 0.000) 22.179 20.082 ( 22.669 -8.028 0.000) 24.048 20.596 ( -2.229 6.994 0.000) 7.341 20.674 ( -0.306 -2.004 0.000) 2.027 21.009 ( -0.526 12.288 0.000) 12.299 22.110 ( 0.993 -3.242 0.000) 3.391 29.115 ( -3.735 -3.721 0.000) 5.272 29.912 ( -10.305 -18.662 0.000) 21.318 32.504 ( -4.216 14.494 0.000) 15.094 32.548 ( -4.345 15.178 0.000) 15.788 32.925 ( -4.763 -8.295 0.000) 9.565 33.125 ( 1.397 -3.197 0.000) 3.489 33.176 ( 13.809 -0.032 0.000) 13.809 33.514 ( 11.798 -2.740 0.000) 12.112 33.739 ( 0.324 4.748 0.000) 4.759 34.023 ( -3.072 5.031 0.000) 5.895 34.938 ( -3.187 -0.375 0.000) 3.209 35.438 ( 2.555 -0.867 0.000) 2.698 37.393 ( -0.972 -2.809 0.000) 2.972 37.636 ( 0.486 -2.051 0.000) 2.107 ======================= Grid point 29 (19/78) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -14.705 -27.589 0.000) 31.263 4.358 ( -2.401 12.496 0.000) 12.724 4.746 ( 0.891 24.916 0.000) 24.932 4.854 ( 26.383 32.711 0.000) 42.024 5.597 ( 9.209 14.799 0.000) 17.431 5.674 ( -20.605 13.251 0.000) 24.499 6.034 ( -10.415 43.492 0.000) 44.722 6.625 ( -19.227 23.692 0.000) 30.512 7.013 ( -17.273 24.018 0.000) 29.584 7.177 ( -6.446 22.069 0.000) 22.991 7.673 ( 29.423 0.112 0.000) 29.423 7.869 ( 35.992 8.365 0.000) 36.952 7.993 ( 35.674 2.227 0.000) 35.743 8.447 ( 49.891 4.594 0.000) 50.102 9.099 ( -14.739 -28.645 0.000) 32.214 9.523 ( -0.542 -17.930 0.000) 17.938 9.705 ( 11.952 -22.103 0.000) 25.128 9.808 ( -9.371 -14.356 0.000) 17.144 10.297 ( -7.679 5.036 0.000) 9.183 10.498 ( -22.835 -25.361 0.000) 34.126 11.132 ( 1.459 -20.249 0.000) 20.301 11.137 ( -9.475 11.388 0.000) 14.814 11.350 ( -6.030 -17.661 0.000) 18.662 11.673 ( 7.455 5.082 0.000) 9.023 12.181 ( 0.201 15.737 0.000) 15.738 12.325 ( -1.052 2.874 0.000) 3.061 12.869 ( -5.665 20.850 0.000) 21.606 13.126 ( -5.615 14.288 0.000) 15.351 13.419 ( -13.725 -0.048 0.000) 13.725 13.592 ( -25.491 0.706 0.000) 25.501 14.018 ( -3.337 0.246 0.000) 3.346 14.269 ( -1.761 6.398 0.000) 6.636 14.471 ( 1.416 2.414 0.000) 2.799 14.628 ( -1.191 -9.728 0.000) 9.800 15.876 ( 16.692 -37.698 0.000) 41.229 15.962 ( 22.209 -43.646 0.000) 48.971 17.904 ( 3.115 5.161 0.000) 6.028 18.320 ( 0.133 7.072 0.000) 7.073 18.892 ( -15.012 15.904 0.000) 21.870 19.175 ( -18.846 22.727 0.000) 29.524 19.934 ( 11.321 -11.686 0.000) 16.270 20.394 ( 19.018 -5.531 0.000) 19.806 20.563 ( -5.350 0.070 0.000) 5.350 20.627 ( 0.560 -6.307 0.000) 6.332 21.115 ( -3.583 15.304 0.000) 15.717 22.068 ( 0.904 -6.884 0.000) 6.943 29.042 ( -2.730 0.357 0.000) 2.753 29.629 ( -3.084 -13.537 0.000) 13.884 32.554 ( -8.099 17.030 0.000) 18.858 32.616 ( -6.476 17.307 0.000) 18.479 32.771 ( -6.050 -1.685 0.000) 6.281 33.105 ( 0.944 -3.722 0.000) 3.840 33.400 ( 11.930 -2.287 0.000) 12.147 33.734 ( 14.147 -4.611 0.000) 14.880 33.755 ( -0.628 -0.259 0.000) 0.679 33.981 ( -3.485 -0.062 0.000) 3.485 34.895 ( -3.476 3.275 0.000) 4.775 35.440 ( 2.361 -5.726 0.000) 6.194 37.367 ( 0.501 -2.023 0.000) 2.084 37.622 ( 0.998 -3.050 0.000) 3.209 ======================= Grid point 30 (20/78) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 12.528 -16.046 0.000) 20.358 4.398 ( -6.773 11.084 0.000) 12.989 4.901 ( -4.567 12.610 0.000) 13.412 5.118 ( -27.137 12.471 0.000) 29.866 5.765 ( 17.176 17.402 0.000) 24.451 5.815 ( -2.533 13.004 0.000) 13.249 6.212 ( -20.107 43.123 0.000) 47.580 6.498 ( -23.162 28.840 0.000) 36.989 6.915 ( -18.405 19.577 0.000) 26.870 7.141 ( -21.052 15.929 0.000) 26.399 7.907 ( 8.608 -15.307 0.000) 17.561 8.482 ( -3.868 -10.955 0.000) 11.618 8.610 ( 34.998 6.849 0.000) 35.661 8.714 ( 21.065 -13.932 0.000) 25.256 8.906 ( -7.215 -20.957 0.000) 22.165 9.194 ( -18.272 -30.896 0.000) 35.895 9.557 ( 24.280 -6.979 0.000) 25.263 9.805 ( -13.126 -31.974 0.000) 34.563 9.942 ( 29.010 -8.749 0.000) 30.300 10.292 ( 1.700 7.446 0.000) 7.637 11.033 ( -2.315 -13.186 0.000) 13.387 11.119 ( -7.956 15.329 0.000) 17.271 11.143 ( 10.586 -14.573 0.000) 18.012 11.874 ( 4.884 6.348 0.000) 8.009 12.284 ( -3.510 -1.011 0.000) 3.653 12.369 ( -3.957 18.967 0.000) 19.375 12.975 ( -13.082 21.266 0.000) 24.968 13.007 ( -19.908 13.129 0.000) 23.848 13.308 ( 2.768 9.756 0.000) 10.141 13.495 ( 5.240 13.194 0.000) 14.197 13.974 ( -1.602 0.818 0.000) 1.798 14.327 ( -0.256 7.408 0.000) 7.413 14.376 ( -6.343 -7.556 0.000) 9.866 14.611 ( 1.761 -0.645 0.000) 1.875 15.809 ( 19.378 -37.689 0.000) 42.378 15.844 ( 15.165 -43.915 0.000) 46.459 18.009 ( 7.688 -4.227 0.000) 8.774 18.397 ( 4.940 -1.186 0.000) 5.080 18.867 ( -11.138 24.672 0.000) 27.070 19.127 ( -17.437 32.037 0.000) 36.475 19.940 ( 3.170 -13.914 0.000) 14.270 20.389 ( -7.927 -8.418 0.000) 11.563 20.600 ( 4.451 -6.500 0.000) 7.878 20.635 ( 11.640 -3.336 0.000) 12.109 21.174 ( -7.654 14.780 0.000) 16.644 22.034 ( 3.823 -6.827 0.000) 7.825 29.020 ( -1.667 2.643 0.000) 3.125 29.535 ( 5.388 -8.894 0.000) 10.398 32.569 ( -9.944 17.149 0.000) 19.823 32.653 ( -8.469 14.475 0.000) 16.771 32.707 ( -2.943 5.638 0.000) 6.360 33.097 ( 2.647 -3.535 0.000) 4.416 33.496 ( 1.684 -5.092 0.000) 5.363 33.748 ( 2.833 -2.745 0.000) 3.945 33.760 ( -4.105 -6.966 0.000) 8.085 34.021 ( 9.214 -3.143 0.000) 9.735 34.880 ( -3.062 5.069 0.000) 5.922 35.430 ( 3.962 -6.492 0.000) 7.605 37.361 ( 0.989 -1.916 0.000) 2.156 37.613 ( 1.583 -3.121 0.000) 3.499 ======================= Grid point 32 (21/78) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 32.294 -2.141 0.000) 32.365 4.342 ( -11.762 9.983 0.000) 15.427 4.583 ( -38.767 1.806 0.000) 38.809 4.840 ( -13.046 4.520 0.000) 13.807 5.701 ( -20.009 4.235 0.000) 20.452 6.158 ( -30.849 38.579 0.000) 49.397 6.218 ( 9.747 16.789 0.000) 19.413 6.466 ( -14.774 29.277 0.000) 32.794 6.765 ( -32.491 5.860 0.000) 33.015 6.772 ( -18.978 17.749 0.000) 25.984 7.574 ( -16.981 -36.217 0.000) 40.001 8.091 ( -15.507 -14.856 0.000) 21.475 8.183 ( -29.236 -30.145 0.000) 41.993 8.479 ( -22.111 -32.284 0.000) 39.130 9.165 ( 30.899 -4.188 0.000) 31.181 9.270 ( 23.921 3.532 0.000) 24.181 9.539 ( 12.906 -14.146 0.000) 19.149 9.795 ( 5.691 -3.644 0.000) 6.758 10.473 ( 29.264 1.812 0.000) 29.320 10.634 ( 16.993 11.603 0.000) 20.577 10.797 ( -1.930 -12.472 0.000) 12.620 11.154 ( -6.116 14.303 0.000) 15.555 11.374 ( 23.045 -6.089 0.000) 23.836 11.844 ( -5.408 -8.649 0.000) 10.201 12.275 ( -0.708 5.912 0.000) 5.954 12.311 ( -13.327 4.894 0.000) 14.197 12.901 ( -9.294 10.516 0.000) 14.034 12.942 ( -4.574 13.955 0.000) 14.685 13.672 ( 12.033 27.987 0.000) 30.465 13.817 ( 9.444 14.534 0.000) 17.333 13.997 ( 2.439 4.045 0.000) 4.724 14.181 ( -4.773 -10.695 0.000) 11.711 14.449 ( 1.981 19.756 0.000) 19.855 14.595 ( 1.656 -7.541 0.000) 7.721 15.620 ( 12.664 -47.284 0.000) 48.951 15.811 ( 18.779 -27.057 0.000) 32.935 18.054 ( 2.938 -7.119 0.000) 7.701 18.455 ( 4.505 -4.792 0.000) 6.577 19.002 ( -5.178 30.187 0.000) 30.628 19.224 ( -10.956 35.234 0.000) 36.899 19.774 ( -1.406 -19.591 0.000) 19.641 20.115 ( -8.547 -15.481 0.000) 17.683 20.643 ( 5.430 -3.787 0.000) 6.620 20.738 ( 3.476 -3.041 0.000) 4.619 21.140 ( -10.356 10.131 0.000) 14.487 22.065 ( 5.522 -4.298 0.000) 6.997 29.038 ( 0.994 2.550 0.000) 2.737 29.636 ( 13.481 -4.166 0.000) 14.110 32.553 ( -10.827 15.712 0.000) 19.081 32.651 ( -9.511 15.364 0.000) 18.069 32.733 ( 0.382 4.527 0.000) 4.543 33.131 ( 4.983 -3.545 0.000) 6.115 33.375 ( -4.601 -10.828 0.000) 11.765 33.579 ( -4.993 -9.895 0.000) 11.083 33.781 ( 1.217 -0.389 0.000) 1.278 34.115 ( 3.416 -2.062 0.000) 3.990 34.891 ( -1.174 4.637 0.000) 4.784 35.445 ( 3.903 -4.918 0.000) 6.279 37.364 ( 1.389 -1.400 0.000) 1.972 37.616 ( 1.910 -2.310 0.000) 2.997 ======================= Grid point 33 (22/78) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 33.168 0.872 0.000) 33.179 3.835 ( -45.959 -0.541 0.000) 45.962 4.191 ( -18.024 11.391 0.000) 21.322 4.483 ( -28.366 -5.011 0.000) 28.805 5.275 ( -24.920 -6.456 0.000) 25.743 5.783 ( -46.328 19.457 0.000) 50.248 6.169 ( -35.921 4.108 0.000) 36.155 6.471 ( -16.014 20.386 0.000) 25.923 6.541 ( 7.229 10.589 0.000) 12.821 6.641 ( -15.981 18.695 0.000) 24.594 6.808 ( -29.547 -28.430 0.000) 41.003 7.426 ( -25.510 -18.915 0.000) 31.758 7.656 ( -13.444 -13.036 0.000) 18.727 7.789 ( -20.925 -27.367 0.000) 34.450 9.433 ( -3.700 -0.785 0.000) 3.782 9.570 ( 13.907 -0.142 0.000) 13.907 9.844 ( -1.568 0.576 0.000) 1.670 9.876 ( 30.817 -3.643 0.000) 31.031 10.610 ( -0.219 -5.513 0.000) 5.517 10.882 ( 6.683 4.121 0.000) 7.851 11.074 ( 11.897 9.524 0.000) 15.240 11.177 ( 0.941 9.135 0.000) 9.184 11.692 ( 1.130 -8.425 0.000) 8.501 11.707 ( 13.251 -5.613 0.000) 14.390 12.229 ( 9.805 0.282 0.000) 9.809 12.306 ( -1.204 2.809 0.000) 3.056 12.921 ( 1.991 7.443 0.000) 7.705 13.048 ( 3.628 8.101 0.000) 8.877 13.941 ( -3.902 -11.348 0.000) 12.000 13.960 ( -0.232 4.664 0.000) 4.670 14.113 ( 4.095 0.172 0.000) 4.099 14.248 ( 12.302 26.115 0.000) 28.867 14.567 ( 8.583 -10.113 0.000) 13.264 14.951 ( 16.229 46.260 0.000) 49.024 15.362 ( 15.668 -50.621 0.000) 52.991 15.931 ( 17.544 -11.975 0.000) 21.242 17.948 ( -7.562 -6.058 0.000) 9.690 18.429 ( -1.668 -6.729 0.000) 6.933 19.292 ( 2.423 31.093 0.000) 31.187 19.383 ( -9.748 24.156 0.000) 26.049 19.543 ( 1.327 -23.637 0.000) 23.674 19.835 ( -3.219 -12.617 0.000) 13.021 20.686 ( 2.116 -1.806 0.000) 2.782 20.692 ( -4.778 -3.799 0.000) 6.104 21.032 ( -9.986 4.508 0.000) 10.956 22.108 ( 2.359 -2.376 0.000) 3.348 29.112 ( 5.124 1.559 0.000) 5.356 29.918 ( 21.338 -0.878 0.000) 21.356 32.504 ( -10.533 11.127 0.000) 15.321 32.589 ( -12.285 10.404 0.000) 16.099 32.851 ( 8.548 2.556 0.000) 8.922 33.157 ( -6.917 -10.402 0.000) 12.492 33.162 ( 2.309 -5.461 0.000) 5.929 33.442 ( -0.702 -3.968 0.000) 4.029 33.756 ( -4.180 0.423 0.000) 4.201 34.093 ( -3.550 -1.575 0.000) 3.884 34.935 ( 1.934 2.776 0.000) 3.383 35.442 ( -0.579 -2.951 0.000) 3.007 37.391 ( 2.932 -0.350 0.000) 2.952 37.630 ( 1.511 -1.001 0.000) 1.813 ======================= Grid point 41 (23/78) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -20.607 -30.931 0.000) 37.167 4.474 ( 5.592 9.813 0.000) 11.294 4.678 ( 28.760 34.481 0.000) 44.901 4.843 ( 5.817 11.770 0.000) 13.129 5.676 ( 7.705 24.716 0.000) 25.889 6.198 ( -19.094 3.882 0.000) 19.484 6.629 ( 1.961 46.101 0.000) 46.143 7.018 ( 16.106 18.672 0.000) 24.659 7.070 ( 40.158 11.441 0.000) 41.756 7.214 ( 31.044 9.370 0.000) 32.428 7.217 ( 29.225 12.231 0.000) 31.681 7.731 ( -8.245 18.100 0.000) 19.889 7.754 ( 15.462 17.253 0.000) 23.167 7.800 ( -16.219 29.708 0.000) 33.847 9.096 ( -18.720 -29.371 0.000) 34.830 9.368 ( -3.671 -19.147 0.000) 19.495 9.432 ( -6.088 -19.250 0.000) 20.190 9.783 ( -3.373 -9.054 0.000) 9.662 10.519 ( -15.945 -31.700 0.000) 35.484 10.528 ( -9.657 7.919 0.000) 12.489 10.892 ( 0.116 -23.739 0.000) 23.739 11.313 ( -11.067 -18.677 0.000) 21.709 11.395 ( 9.224 11.195 0.000) 14.506 11.599 ( -6.580 4.764 0.000) 8.123 12.309 ( 4.490 15.963 0.000) 16.582 12.343 ( 0.827 -0.284 0.000) 0.874 13.027 ( 6.069 9.136 0.000) 10.968 13.153 ( 8.693 3.244 0.000) 9.278 13.810 ( -21.143 10.670 0.000) 23.683 13.921 ( -7.021 -5.864 0.000) 9.147 14.050 ( -1.392 -2.953 0.000) 3.265 14.309 ( 20.187 -21.899 0.000) 29.783 14.477 ( -0.591 3.108 0.000) 3.164 14.683 ( -34.297 12.672 0.000) 36.563 15.133 ( 25.098 -31.135 0.000) 39.991 15.514 ( -11.397 -18.975 0.000) 22.135 17.938 ( -3.842 0.913 0.000) 3.949 18.369 ( -3.878 -0.531 0.000) 3.914 19.330 ( -14.163 13.078 0.000) 19.278 19.565 ( 17.634 -8.413 0.000) 19.538 19.664 ( -7.097 17.927 0.000) 19.281 19.934 ( 21.535 -4.258 0.000) 21.952 20.592 ( -3.799 -5.429 0.000) 6.626 20.661 ( -5.682 -0.794 0.000) 5.737 21.244 ( 5.209 10.587 0.000) 11.799 22.014 ( -3.240 -5.908 0.000) 6.738 29.071 ( -0.179 -0.590 0.000) 0.617 29.585 ( -7.971 -13.309 0.000) 15.513 32.774 ( -0.101 -1.216 0.000) 1.221 32.775 ( 6.096 10.831 0.000) 12.429 32.875 ( 3.391 9.901 0.000) 10.465 33.072 ( -0.817 -1.781 0.000) 1.960 33.213 ( 3.482 4.228 0.000) 5.477 33.477 ( 5.804 0.432 0.000) 5.820 33.771 ( -1.643 -1.411 0.000) 2.165 34.059 ( -5.182 -1.814 0.000) 5.490 34.951 ( 1.076 1.550 0.000) 1.887 35.381 ( -2.675 -4.173 0.000) 4.957 37.350 ( -0.736 -1.498 0.000) 1.669 37.592 ( -0.901 -1.992 0.000) 2.186 ======================= Grid point 42 (24/78) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -7.156 -28.489 0.000) 29.374 4.616 ( -2.635 12.590 0.000) 12.863 4.959 ( 2.602 -0.803 0.000) 2.723 5.454 ( 18.909 25.335 0.000) 31.614 5.871 ( -20.256 6.108 0.000) 21.157 5.977 ( 1.653 16.114 0.000) 16.199 6.924 ( -9.429 38.292 0.000) 39.436 7.259 ( -18.162 38.360 0.000) 42.442 7.579 ( -23.535 31.314 0.000) 39.172 7.580 ( -2.093 -3.560 0.000) 4.130 7.796 ( -8.177 32.571 0.000) 33.582 7.967 ( 41.836 -2.051 0.000) 41.886 8.023 ( 34.912 6.950 0.000) 35.597 8.487 ( 43.136 -0.627 0.000) 43.140 8.563 ( -10.194 -21.712 0.000) 23.986 8.937 ( -9.109 -35.500 0.000) 36.650 9.269 ( 17.231 -21.200 0.000) 27.319 9.414 ( -17.028 -26.820 0.000) 31.768 9.797 ( -20.570 -37.288 0.000) 42.585 10.451 ( -8.514 9.250 0.000) 12.571 10.782 ( 11.115 -10.759 0.000) 15.470 11.000 ( -6.194 -15.737 0.000) 16.912 11.485 ( -12.197 17.528 0.000) 21.354 11.746 ( 13.671 2.405 0.000) 13.881 12.297 ( -2.172 -5.587 0.000) 5.995 12.583 ( 2.650 19.449 0.000) 19.629 13.310 ( 9.351 14.665 0.000) 17.393 13.375 ( 4.298 9.323 0.000) 10.266 13.526 ( -22.542 15.785 0.000) 27.519 13.602 ( -17.485 0.581 0.000) 17.495 13.980 ( -0.999 -4.618 0.000) 4.724 14.330 ( 2.610 -14.782 0.000) 15.011 14.474 ( -7.359 12.736 0.000) 14.709 14.590 ( 4.388 4.383 0.000) 6.202 15.178 ( 15.661 -31.921 0.000) 35.555 15.196 ( 5.177 -27.809 0.000) 28.287 17.886 ( 0.892 -3.975 0.000) 4.074 18.308 ( 0.491 -4.000 0.000) 4.030 19.281 ( -9.947 18.801 0.000) 21.270 19.687 ( -12.635 25.168 0.000) 28.161 19.731 ( 8.992 -8.523 0.000) 12.389 20.284 ( 19.304 -4.974 0.000) 19.935 20.477 ( -0.142 -7.462 0.000) 7.463 20.483 ( -8.203 -7.896 0.000) 11.386 21.413 ( -1.331 13.887 0.000) 13.951 21.899 ( 0.537 -9.757 0.000) 9.772 29.084 ( -0.914 3.852 0.000) 3.959 29.382 ( -0.491 -10.663 0.000) 10.674 32.769 ( -1.838 1.919 0.000) 2.657 32.903 ( -1.689 3.169 0.000) 3.591 32.909 ( -6.494 17.044 0.000) 18.240 33.123 ( -4.068 11.937 0.000) 12.611 33.347 ( 8.883 -3.715 0.000) 9.628 33.633 ( 11.393 -5.875 0.000) 12.819 33.697 ( -1.691 -4.577 0.000) 4.879 33.910 ( -4.182 -6.010 0.000) 7.321 34.990 ( -1.725 5.999 0.000) 6.242 35.297 ( 1.304 -7.948 0.000) 8.054 37.332 ( 0.264 -1.332 0.000) 1.358 37.564 ( 0.366 -2.273 0.000) 2.302 ======================= Grid point 43 (25/78) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 30.152 -9.377 0.000) 31.576 4.620 ( -9.422 8.648 0.000) 12.789 4.955 ( -0.531 -2.963 0.000) 3.011 5.310 ( -35.556 8.016 0.000) 36.448 6.015 ( -10.343 4.083 0.000) 11.120 6.061 ( 14.615 6.211 0.000) 15.880 7.124 ( -22.677 44.616 0.000) 50.048 7.260 ( -27.209 40.496 0.000) 48.788 7.327 ( -7.831 -10.299 0.000) 12.938 7.393 ( -27.588 25.609 0.000) 37.642 7.586 ( -30.717 -4.419 0.000) 31.033 8.216 ( -17.240 -10.951 0.000) 20.424 8.275 ( -17.870 -30.787 0.000) 35.598 8.490 ( -17.602 -36.810 0.000) 40.802 8.567 ( 30.440 -6.080 0.000) 31.041 8.783 ( 34.470 5.894 0.000) 34.970 9.188 ( 7.445 -20.112 0.000) 21.446 9.449 ( 32.118 -2.887 0.000) 32.248 9.819 ( 40.657 -3.352 0.000) 40.794 10.495 ( 4.871 12.002 0.000) 12.953 10.742 ( -5.324 -14.889 0.000) 15.812 10.987 ( 16.871 -1.992 0.000) 16.988 11.464 ( -9.902 16.463 0.000) 19.211 11.818 ( -3.509 -11.288 0.000) 11.821 12.275 ( 4.771 0.598 0.000) 4.808 12.626 ( -14.628 4.662 0.000) 15.353 13.231 ( -13.523 10.378 0.000) 17.046 13.236 ( -16.463 6.251 0.000) 17.610 13.740 ( 9.177 22.741 0.000) 24.523 13.743 ( 11.294 6.421 0.000) 12.992 13.966 ( 3.830 -1.364 0.000) 4.065 14.166 ( -3.943 -11.292 0.000) 11.961 14.572 ( -5.452 -1.685 0.000) 5.706 14.590 ( 3.753 17.106 0.000) 17.512 15.036 ( 6.214 -31.727 0.000) 32.329 15.219 ( 21.569 -17.595 0.000) 27.835 17.904 ( 5.291 -4.132 0.000) 6.713 18.321 ( 4.868 -3.383 0.000) 5.928 19.347 ( -5.124 19.223 0.000) 19.894 19.661 ( -3.687 -12.981 0.000) 13.494 19.746 ( -10.928 26.489 0.000) 28.654 20.141 ( -11.949 -14.685 0.000) 18.932 20.484 ( 7.029 -3.921 0.000) 8.049 20.562 ( 12.342 -3.918 0.000) 12.950 21.418 ( -10.848 7.815 0.000) 13.370 21.897 ( 8.075 -5.299 0.000) 9.658 29.083 ( -2.982 2.771 0.000) 4.070 29.384 ( 9.651 -4.999 0.000) 10.868 32.749 ( -2.242 3.251 0.000) 3.949 32.911 ( -11.464 14.239 0.000) 18.281 32.947 ( 2.747 0.581 0.000) 2.808 33.114 ( -10.607 11.377 0.000) 15.554 33.338 ( -1.879 -9.150 0.000) 9.341 33.573 ( -4.284 -9.347 0.000) 10.282 33.703 ( 5.383 -1.299 0.000) 5.537 33.957 ( 10.182 -2.990 0.000) 10.612 34.989 ( -4.442 4.537 0.000) 6.350 35.299 ( 6.395 -5.179 0.000) 8.229 37.331 ( 0.944 -0.851 0.000) 1.271 37.563 ( 1.639 -1.372 0.000) 2.138 ======================= Grid point 54 (26/78) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -0.000 -0.000 0.000) 0.000 4.843 ( -4.071 -8.142 0.000) 9.103 4.843 ( 4.071 8.142 0.000) 9.103 5.843 ( -5.931 -11.861 0.000) 13.261 5.843 ( 5.931 11.861 0.000) 13.261 6.134 ( -0.000 -0.000 0.000) 0.000 7.185 ( 0.000 -0.000 0.000) 0.000 7.890 ( -8.609 -17.218 0.000) 19.251 7.890 ( 8.609 17.218 0.000) 19.251 7.990 ( -6.228 -12.455 0.000) 13.925 7.990 ( 6.228 12.455 0.000) 13.925 7.994 ( 0.000 0.000 0.000) 0.000 8.162 ( -0.000 0.000 0.000) 0.000 8.369 ( -7.229 -14.457 0.000) 16.164 8.369 ( 7.229 14.457 0.000) 16.164 8.711 ( -15.662 -31.325 0.000) 35.022 8.711 ( 15.662 31.325 0.000) 35.022 8.961 ( 0.000 -0.000 0.000) 0.000 9.327 ( -0.000 -0.000 0.000) 0.000 10.653 ( -3.874 -7.749 0.000) 8.663 10.653 ( 3.874 7.749 0.000) 8.663 10.769 ( -0.000 -0.000 0.000) 0.000 11.738 ( -2.925 -5.850 0.000) 6.541 11.738 ( 2.925 5.850 0.000) 6.541 12.193 ( -0.000 0.000 0.000) 0.000 12.811 ( -0.000 -0.000 0.000) 0.000 13.424 ( 0.000 -0.000 0.000) 0.000 13.552 ( -4.644 -9.287 0.000) 10.383 13.552 ( 4.644 9.287 0.000) 10.383 13.885 ( -0.000 0.000 0.000) 0.000 13.962 ( -8.417 -16.833 0.000) 18.820 13.962 ( 8.417 16.833 0.000) 18.820 14.730 ( -5.393 -10.786 0.000) 12.059 14.730 ( 5.393 10.786 0.000) 12.059 14.770 ( -6.711 -13.422 0.000) 15.006 14.770 ( 6.711 13.422 0.000) 15.006 17.832 ( -0.000 -0.000 0.000) 0.000 18.255 ( -0.000 -0.000 0.000) 0.000 19.568 ( -3.745 -7.489 0.000) 8.373 19.568 ( 3.745 7.489 0.000) 8.373 20.044 ( -0.000 0.000 0.000) 0.000 20.270 ( -4.836 -9.672 0.000) 10.814 20.270 ( 4.836 9.672 0.000) 10.814 20.384 ( -0.000 -0.000 0.000) 0.000 21.676 ( -5.361 -10.722 0.000) 11.988 21.676 ( 5.361 10.722 0.000) 11.988 29.199 ( -3.313 -6.626 0.000) 7.408 29.199 ( 3.313 6.626 0.000) 7.408 32.842 ( -2.249 -4.497 0.000) 5.028 32.842 ( 2.249 4.497 0.000) 5.028 33.206 ( -4.927 -9.855 0.000) 11.018 33.206 ( 4.927 9.855 0.000) 11.018 33.446 ( -6.095 -12.190 0.000) 13.628 33.446 ( 6.095 12.190 0.000) 13.628 33.633 ( -0.000 -0.000 0.000) 0.000 33.819 ( 0.000 0.000 0.000) 0.000 35.133 ( -3.518 -7.035 0.000) 7.866 35.133 ( 3.518 7.035 0.000) 7.866 37.318 ( -0.000 -0.000 0.000) 0.000 37.540 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 157 (27/78) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.000 0.000 39.323) 39.323 0.835 ( -0.000 0.000 39.323) 39.323 2.252 ( 0.000 0.000 107.117) 107.117 2.304 ( 0.000 0.000 -30.744) 30.744 2.304 ( 0.000 0.000 -30.744) 30.744 3.569 ( 0.000 0.000 28.015) 28.015 3.569 ( -0.000 0.000 28.015) 28.015 4.597 ( -0.000 -0.000 -17.062) 17.062 4.597 ( 0.000 -0.000 -17.062) 17.062 6.370 ( -0.000 0.000 -86.821) 86.821 6.372 ( 0.000 -0.000 6.304) 6.304 6.372 ( 0.000 0.000 6.304) 6.304 6.623 ( 0.000 0.000 -3.727) 3.727 6.623 ( 0.000 -0.000 -3.727) 3.727 8.877 ( -0.000 -0.000 24.265) 24.265 9.260 ( 0.000 -0.000 -2.266) 2.266 10.221 ( -0.000 -0.000 14.012) 14.012 10.221 ( 0.000 0.000 14.012) 14.012 10.370 ( -0.000 0.000 0.024) 0.024 10.372 ( 0.000 -0.000 -0.024) 0.024 11.102 ( -0.000 0.000 -21.377) 21.377 11.102 ( 0.000 -0.000 -21.377) 21.377 11.449 ( -0.000 0.000 41.876) 41.876 13.104 ( 0.000 0.000 15.697) 15.697 13.104 ( -0.000 -0.000 15.697) 15.697 13.512 ( 0.000 0.000 -44.563) 44.563 13.682 ( -0.000 0.000 -8.330) 8.330 13.682 ( -0.000 -0.000 -8.330) 8.330 13.986 ( -0.000 -0.000 0.567) 0.567 13.986 ( 0.000 0.000 0.567) 0.567 14.003 ( 0.000 0.000 -0.219) 0.219 14.003 ( 0.000 0.000 -0.219) 0.219 15.522 ( -0.000 0.000 27.133) 27.133 16.372 ( -0.000 -0.000 -11.107) 11.107 17.462 ( 0.000 -0.000 2.155) 2.155 17.462 ( -0.000 0.000 2.155) 2.155 17.581 ( -0.000 -0.000 -2.341) 2.341 17.581 ( 0.000 0.000 -2.341) 2.341 19.718 ( 0.000 0.000 0.082) 0.082 19.721 ( -0.000 -0.000 -0.052) 0.052 19.802 ( -0.000 0.000 1.414) 1.414 19.802 ( -0.000 0.000 1.414) 1.414 19.874 ( 0.000 0.000 -1.308) 1.308 19.874 ( 0.000 -0.000 -1.308) 1.308 21.024 ( 0.000 0.000 1.951) 1.951 21.128 ( 0.000 0.000 -1.961) 1.961 32.085 ( -0.000 0.000 0.936) 0.936 32.085 ( 0.000 -0.000 0.936) 0.936 32.136 ( 0.000 0.000 -1.004) 1.004 32.136 ( -0.000 0.000 -1.004) 1.004 33.270 ( -0.000 0.000 2.506) 2.506 33.351 ( 0.000 0.000 0.962) 0.962 33.351 ( -0.000 0.000 0.962) 0.962 33.400 ( -0.000 0.000 -0.893) 0.893 33.400 ( 0.000 0.000 -0.893) 0.893 33.434 ( -0.000 0.000 -4.044) 4.044 34.073 ( 0.000 0.000 4.958) 4.958 34.285 ( -0.000 -0.000 -3.431) 3.431 37.885 ( 0.000 -0.000 0.827) 0.827 37.928 ( 0.000 -0.000 -0.796) 0.796 ======================= Grid point 158 (28/78) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 32.188 18.065 26.344) 45.348 1.650 ( 42.138 24.632 27.007) 55.783 2.412 ( 20.116 11.565 85.894) 88.973 2.547 ( 19.428 11.141 -28.557) 36.292 2.684 ( 25.156 14.703 -23.128) 37.201 3.721 ( 14.938 8.372 25.657) 30.847 3.777 ( 16.598 9.915 27.939) 33.977 4.699 ( 8.598 4.458 -16.650) 19.262 4.859 ( 20.220 12.093 -18.928) 30.221 5.939 ( -19.017 -10.963 -53.034) 57.397 6.395 ( 1.451 1.038 6.619) 6.855 6.469 ( 8.271 4.778 8.880) 13.042 6.660 ( 3.335 1.631 -4.180) 5.591 7.111 ( 24.162 14.038 -32.848) 43.126 8.848 ( -1.991 -1.153 23.890) 24.001 9.274 ( 1.317 0.760 -2.913) 3.286 10.170 ( -4.007 -1.784 13.458) 14.155 10.240 ( 1.137 -0.235 9.785) 9.853 10.333 ( 0.451 0.633 2.331) 2.457 10.418 ( 3.775 2.185 3.602) 5.657 11.081 ( -1.931 -1.063 -22.360) 22.469 11.242 ( 5.617 3.150 -29.303) 30.002 11.552 ( 7.951 4.616 39.365) 40.425 12.990 ( -11.831 -5.606 11.320) 17.307 13.018 ( -6.460 -5.304 15.790) 17.866 13.367 ( -1.174 0.057 -17.540) 17.579 13.583 ( -8.051 -4.789 -7.648) 12.093 13.691 ( 1.252 0.865 -9.954) 10.069 13.906 ( -6.466 -4.557 0.532) 7.928 13.939 ( -5.827 -2.955 -0.669) 6.567 14.120 ( 9.468 5.191 1.393) 10.887 14.224 ( 7.272 4.551 -0.275) 8.583 15.841 ( 12.503 6.189 -3.981) 14.508 16.369 ( -0.847 -0.679 -10.385) 10.442 17.000 ( -34.966 -21.845 8.077) 42.012 17.261 ( -23.923 -4.018 -6.193) 25.036 17.447 ( -1.804 -0.429 2.360) 3.001 17.571 ( 4.330 -4.894 -3.398) 7.365 18.995 ( -12.544 -7.598 34.183) 37.196 19.637 ( -3.923 -5.629 -7.218) 9.958 19.825 ( 1.526 1.950 1.181) 2.744 19.877 ( 1.831 1.206 -0.582) 2.268 20.028 ( 10.683 9.684 8.177) 16.576 20.484 ( 6.938 2.953 -12.016) 14.186 20.931 ( -6.070 -3.680 1.873) 7.341 21.152 ( 11.130 6.449 -13.153) 18.398 31.161 ( -66.253 -38.275 65.307) 100.595 32.087 ( 0.197 -0.080 0.994) 1.016 32.133 ( -2.261 -1.222 -1.489) 2.970 32.168 ( -10.432 -6.098 -1.751) 12.210 32.315 ( 12.533 7.485 -0.768) 14.618 32.397 ( -15.807 -9.065 -3.015) 18.470 33.367 ( 1.246 0.677 0.614) 1.546 33.403 ( 0.127 0.039 -0.772) 0.783 33.992 ( -3.320 -1.964 1.413) 4.108 34.090 ( 3.507 2.031 -2.718) 4.880 34.256 ( 18.750 10.821 6.732) 22.671 34.870 ( 24.663 14.257 -25.832) 38.456 37.738 ( -7.863 -4.534 6.500) 11.164 37.819 ( -5.128 -2.959 -0.029) 5.921 ======================= Grid point 159 (29/78) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 33.764 17.119 19.631) 42.643 2.302 ( 22.603 13.676 45.160) 52.320 3.066 ( 11.198 3.528 -8.585) 14.545 3.107 ( 21.302 15.184 -16.471) 30.913 3.380 ( 48.695 28.518 26.700) 62.429 4.220 ( 21.724 10.998 26.051) 35.658 4.409 ( 36.993 24.573 9.681) 45.453 4.980 ( 17.462 6.530 -15.120) 24.003 5.428 ( 22.964 17.247 -25.566) 38.450 5.673 ( 0.552 -0.798 -42.447) 42.458 6.452 ( 3.589 3.044 9.126) 10.268 6.759 ( 12.554 11.084 13.563) 21.550 6.785 ( 12.830 1.463 -2.306) 13.118 7.602 ( 15.553 9.757 -19.872) 27.056 8.833 ( 2.406 1.317 14.271) 14.533 9.324 ( 2.904 1.648 -5.429) 6.374 10.077 ( -4.099 -1.166 11.962) 12.699 10.240 ( 0.836 -1.735 5.883) 6.191 10.420 ( 4.588 4.561 -1.140) 6.569 10.546 ( 7.567 3.474 7.329) 11.093 11.007 ( -4.705 -2.009 -24.975) 25.494 11.311 ( 1.533 -0.138 -26.360) 26.405 11.767 ( 8.937 5.577 32.837) 34.485 12.694 ( -14.356 -4.282 12.469) 19.491 12.785 ( -9.507 -12.017 16.999) 22.886 13.313 ( -13.190 -6.652 -6.948) 16.324 13.357 ( -10.396 2.596 -6.796) 12.689 13.677 ( -5.980 -5.057 -5.015) 9.299 13.725 ( -13.568 -5.274 -3.133) 14.890 13.764 ( 4.918 -5.167 -8.841) 11.360 14.256 ( 2.814 -4.337 5.304) 7.406 14.363 ( 2.639 6.884 2.887) 7.918 15.653 ( -21.688 -22.717 3.477) 31.599 15.951 ( -33.084 -22.521 3.576) 40.181 16.540 ( -0.310 7.289 1.932) 7.547 16.989 ( -20.333 28.197 -13.439) 37.271 17.398 ( 0.174 -4.479 4.586) 6.413 17.681 ( 20.597 -19.533 -10.952) 30.426 18.938 ( 1.816 0.194 16.606) 16.706 19.372 ( -13.498 -14.544 -4.882) 20.434 19.907 ( 2.778 7.815 1.681) 8.463 20.004 ( 4.433 10.506 -3.072) 11.810 20.263 ( 5.284 7.186 8.926) 12.619 20.472 ( 2.094 -6.216 -1.418) 6.711 20.837 ( -0.130 -0.521 6.455) 6.477 21.531 ( 16.136 9.177 -22.852) 29.441 30.136 ( -28.817 -16.670 41.084) 52.880 31.326 ( -36.517 -21.300 -12.722) 44.147 32.093 ( 0.405 0.349 0.991) 1.126 32.143 ( 0.476 0.065 -0.829) 0.958 32.668 ( 18.325 11.043 1.246) 21.431 32.746 ( 20.018 12.454 -1.592) 23.630 33.391 ( -1.446 -0.626 -0.453) 1.640 33.400 ( 1.133 0.138 -0.807) 1.398 33.825 ( -13.271 -9.099 2.195) 16.239 33.896 ( -4.606 -2.040 -0.782) 5.098 34.847 ( 20.989 12.162 4.398) 24.653 35.123 ( 2.770 1.618 -6.374) 7.136 37.643 ( -1.484 -0.794 1.096) 2.008 37.677 ( -6.180 -3.540 -0.254) 7.127 ======================= Grid point 160 (30/78) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 10.843 4.655 16.772) 20.508 2.976 ( 30.924 16.992 16.622) 39.004 3.111 ( 8.013 3.843 16.796) 19.002 3.688 ( 22.752 11.636 -17.974) 31.243 4.335 ( 27.694 18.798 7.274) 34.253 4.626 ( 15.359 3.308 10.438) 18.862 5.224 ( 27.716 17.815 8.629) 34.059 5.444 ( 15.706 16.425 -20.889) 30.868 5.909 ( 16.716 15.073 -20.880) 30.702 6.088 ( 34.717 11.442 -19.834) 41.588 6.656 ( 15.383 10.106 8.000) 20.069 7.058 ( 18.952 8.669 -1.946) 20.932 7.259 ( 23.949 13.979 18.569) 33.373 7.818 ( 4.121 3.235 11.965) 13.061 9.019 ( 12.679 7.962 -11.628) 18.956 9.398 ( 3.111 1.399 -10.927) 11.447 10.009 ( -3.118 -0.286 10.720) 11.168 10.246 ( 1.723 -1.532 4.150) 4.747 10.539 ( 3.057 3.071 -1.760) 4.677 10.740 ( 9.467 3.357 4.443) 10.984 10.892 ( -6.023 0.100 -24.311) 25.046 11.299 ( -1.666 -3.792 -19.914) 20.340 11.912 ( 0.346 3.100 23.442) 23.649 12.414 ( -14.568 -1.005 14.178) 20.353 12.475 ( -7.567 -15.028 19.702) 25.909 12.938 ( -17.885 -10.783 -4.983) 21.471 13.041 ( -20.125 -4.575 -0.493) 20.644 13.304 ( -25.925 -5.651 -6.974) 27.434 13.631 ( 5.793 -9.361 -7.774) 13.477 13.848 ( 5.802 -0.782 -9.537) 11.190 14.155 ( -6.087 -10.016 4.021) 12.391 14.377 ( -5.079 -1.375 -1.301) 5.420 14.903 ( -26.588 -24.134 12.918) 38.161 15.316 ( -21.190 -8.261 1.536) 22.796 16.718 ( 0.711 22.376 2.197) 22.494 17.001 ( -17.701 37.445 -7.170) 42.034 17.388 ( 10.402 -15.384 6.787) 19.772 17.819 ( 23.726 -32.886 -11.748) 42.219 18.918 ( -4.666 -3.490 1.473) 6.010 18.976 ( -14.041 -8.705 -0.275) 16.523 20.076 ( 2.908 14.388 2.367) 14.869 20.189 ( -0.776 17.543 -2.637) 17.757 20.399 ( 8.253 -0.931 3.421) 8.982 20.471 ( 6.370 -9.187 -0.801) 11.208 20.903 ( 4.642 2.105 14.154) 15.044 21.832 ( 9.330 5.250 -22.013) 24.478 29.620 ( -16.870 -9.741 23.877) 30.816 30.571 ( -27.348 -16.052 -14.173) 34.734 32.109 ( 0.830 0.556 1.027) 1.433 32.158 ( 1.139 0.252 -0.781) 1.404 33.098 ( 14.464 10.848 0.883) 18.102 33.188 ( 11.542 7.201 -1.734) 13.715 33.307 ( -6.087 3.000 0.831) 6.836 33.390 ( 2.182 -3.784 -3.018) 5.309 33.593 ( -1.825 -3.955 6.580) 7.891 33.826 ( -0.945 -1.709 -3.494) 4.002 35.074 ( -1.685 -0.891 4.841) 5.203 35.259 ( 10.453 5.942 -2.321) 12.245 37.545 ( -4.351 -2.439 1.460) 5.197 37.641 ( 0.346 0.404 -2.063) 2.130 ======================= Grid point 161 (31/78) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -12.370 -9.470 26.790) 30.990 3.562 ( 27.840 8.435 3.442) 29.293 3.696 ( 24.182 23.541 7.557) 34.584 4.092 ( 13.981 3.997 -8.428) 16.807 4.785 ( 9.941 7.981 -9.445) 15.866 4.855 ( 11.699 -0.715 -4.337) 12.497 5.607 ( -0.483 10.702 1.781) 10.860 5.917 ( 14.990 12.713 -7.663) 21.096 6.137 ( 12.045 0.999 -0.098) 12.086 6.962 ( 35.973 11.849 -25.209) 45.497 7.186 ( 23.490 14.238 25.678) 37.602 7.524 ( 16.662 19.657 14.884) 29.758 7.893 ( 32.688 18.395 -1.893) 37.556 8.073 ( 22.521 9.778 23.096) 33.708 9.325 ( 5.924 9.156 -24.510) 26.827 9.455 ( 4.764 0.399 -19.991) 20.554 9.936 ( -4.583 -2.069 10.579) 11.713 10.258 ( 0.224 -1.450 -0.850) 1.696 10.537 ( -1.693 -5.218 -0.010) 5.486 10.830 ( -5.615 6.008 -11.941) 14.499 10.857 ( 0.111 -8.450 1.404) 8.567 11.162 ( -6.602 1.424 -8.059) 10.515 11.831 ( -8.400 -0.926 9.545) 12.748 12.139 ( -8.228 -10.682 13.931) 19.387 12.300 ( -7.745 -1.445 7.669) 10.995 12.509 ( -16.892 -9.165 0.495) 19.225 12.701 ( -9.657 -5.649 1.735) 11.321 12.772 ( -20.826 -11.614 -5.724) 24.522 13.611 ( 1.247 -10.867 -3.826) 11.588 13.783 ( -11.800 -12.811 2.699) 17.625 14.004 ( 0.636 1.615 -8.078) 8.263 14.094 ( -11.705 -13.694 -7.814) 19.636 14.509 ( -7.224 1.469 17.214) 18.726 14.973 ( -12.909 -3.293 -1.473) 13.404 16.962 ( -7.613 35.348 2.359) 36.235 17.110 ( -14.238 38.940 -3.296) 41.592 17.461 ( 23.427 -28.267 6.931) 37.362 17.819 ( 19.532 -42.130 -6.799) 46.933 18.685 ( -9.813 -1.204 -0.175) 9.888 18.776 ( -10.322 -3.398 -2.567) 11.166 20.269 ( 1.553 14.424 2.076) 14.655 20.326 ( -4.015 19.044 0.261) 19.465 20.497 ( 8.868 -11.096 -0.066) 14.204 20.556 ( 10.062 -2.563 -1.817) 10.541 20.989 ( 2.920 0.484 17.400) 17.650 21.969 ( 2.765 1.525 -20.511) 20.753 29.308 ( -10.182 -5.826 15.263) 19.250 30.043 ( -17.496 -10.367 -13.143) 24.215 32.132 ( 1.023 0.593 1.111) 1.622 32.187 ( 1.610 0.394 -0.892) 1.882 32.996 ( -11.254 -4.534 4.688) 13.007 33.237 ( -3.753 -2.816 -4.399) 6.432 33.502 ( 9.398 12.047 2.883) 15.549 33.569 ( 6.290 -0.502 1.965) 6.609 33.667 ( 6.750 9.130 -0.396) 11.361 33.838 ( 6.943 -4.342 -5.995) 10.149 35.008 ( -2.961 -1.742 9.883) 10.463 35.428 ( 4.122 2.205 -6.591) 8.080 37.478 ( -1.564 -0.756 3.524) 3.929 37.654 ( 0.368 0.495 -3.007) 3.069 ======================= Grid point 162 (32/78) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -8.822 -7.281 45.882) 47.286 4.044 ( 15.476 7.769 3.469) 17.661 4.278 ( 7.576 8.148 -4.748) 12.097 4.313 ( 18.770 10.380 -11.017) 24.112 4.864 ( 1.170 -6.095 -21.134) 22.026 5.066 ( 6.942 4.035 -6.086) 10.076 5.607 ( -5.393 3.905 3.250) 7.409 5.975 ( -4.113 0.888 -11.996) 12.713 6.586 ( 24.931 4.028 18.693) 31.419 7.176 ( -5.792 0.933 18.593) 19.496 7.820 ( 29.541 11.092 2.983) 31.696 8.233 ( 29.601 21.611 4.903) 36.977 8.610 ( 21.137 10.756 22.216) 32.497 8.682 ( 27.309 18.124 -11.617) 34.774 9.326 ( -5.988 4.945 -24.844) 26.030 9.568 ( -1.228 4.850 -22.562) 23.110 9.820 ( -0.837 -8.162 10.360) 13.215 10.136 ( -12.767 -4.381 0.044) 13.498 10.361 ( -13.832 -11.055 4.045) 18.163 10.609 ( 2.527 -12.927 7.573) 15.193 10.824 ( -5.921 9.204 -12.974) 16.974 11.211 ( 2.529 3.175 -10.369) 11.135 11.615 ( -9.763 -4.096 7.318) 12.870 11.936 ( -6.437 -13.830 7.759) 17.114 12.013 ( -14.599 6.084 -5.302) 16.681 12.330 ( -2.352 -10.919 -3.302) 11.647 12.438 ( -3.041 -2.641 9.991) 10.772 12.598 ( -0.522 -1.535 3.000) 3.410 13.408 ( -9.942 -10.503 3.250) 14.823 13.423 ( -10.762 -9.326 1.767) 14.350 13.883 ( -2.573 -1.462 -4.200) 5.138 14.091 ( 2.986 1.405 -11.106) 11.586 14.475 ( -1.290 3.697 9.546) 10.318 14.761 ( -7.502 -3.507 -1.077) 8.351 17.131 ( -8.710 25.539 3.658) 27.230 17.280 ( -12.569 39.960 -1.737) 41.926 17.630 ( 23.267 -27.491 1.066) 36.031 17.693 ( 17.408 -37.565 0.175) 41.403 18.501 ( -14.020 -1.379 -0.265) 14.090 18.590 ( -4.542 0.713 -2.622) 5.292 20.401 ( 0.308 8.045 1.305) 8.156 20.449 ( -3.431 16.695 0.371) 17.048 20.540 ( 8.862 -11.222 1.494) 14.377 20.682 ( 5.653 -0.953 -3.355) 6.642 21.012 ( 0.413 -1.113 18.136) 18.175 21.986 ( -0.537 -0.323 -19.349) 19.360 29.134 ( -4.847 -2.737 11.350) 12.641 29.739 ( -8.362 -5.004 -11.812) 15.313 32.153 ( 0.734 0.372 1.227) 1.477 32.217 ( 1.233 0.316 -1.138) 1.707 32.800 ( -6.254 -2.586 7.119) 9.822 33.153 ( -2.492 -1.974 -6.022) 6.809 33.598 ( 0.263 2.159 2.726) 3.487 33.747 ( 3.250 4.523 -1.316) 5.723 33.785 ( 3.774 2.968 1.321) 4.980 33.990 ( 8.814 -0.203 -6.809) 11.139 34.953 ( -1.570 -1.028 12.537) 12.677 35.476 ( 0.713 0.237 -8.571) 8.604 37.464 ( -0.095 0.072 4.451) 4.452 37.662 ( 0.123 0.284 -3.029) 3.044 ======================= Grid point 163 (33/78) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.000 0.000 55.126) 55.126 4.219 ( 0.000 0.000 4.725) 4.725 4.355 ( 0.000 0.000 0.345) 0.345 4.694 ( 0.000 0.000 -56.741) 56.741 4.729 ( -0.000 -0.000 10.837) 10.837 5.148 ( 0.000 0.000 -8.448) 8.448 5.567 ( 0.000 0.000 4.787) 4.787 5.934 ( 0.000 0.000 -11.304) 11.304 6.923 ( -0.000 0.000 15.619) 15.619 7.045 ( 0.000 0.000 31.740) 31.740 8.192 ( 0.000 0.000 1.262) 1.262 8.692 ( 0.000 -0.000 5.574) 5.574 8.818 ( 0.000 0.000 -6.156) 6.156 9.146 ( 0.000 0.000 1.568) 1.568 9.160 ( -0.000 -0.000 -9.681) 9.681 9.713 ( 0.000 0.000 -34.671) 34.671 9.790 ( -0.000 0.000 11.188) 11.188 9.865 ( 0.000 -0.000 9.594) 9.594 10.043 ( 0.000 -0.000 5.630) 5.630 10.603 ( 0.000 0.000 5.538) 5.538 10.835 ( -0.000 0.000 -17.038) 17.038 11.194 ( 0.000 0.000 -13.494) 13.494 11.633 ( 0.000 0.000 7.417) 7.417 11.669 ( 0.000 -0.000 12.295) 12.295 11.954 ( 0.000 0.000 -3.537) 3.537 12.201 ( 0.000 0.000 -10.209) 10.209 12.477 ( 0.000 0.000 13.028) 13.028 12.581 ( 0.000 0.000 3.591) 3.591 13.232 ( 0.000 0.000 4.706) 4.706 13.277 ( 0.000 0.000 0.937) 0.937 13.862 ( 0.000 0.000 -3.218) 3.218 14.126 ( 0.000 0.000 -10.721) 10.721 14.498 ( 0.000 0.000 5.481) 5.481 14.662 ( 0.000 0.000 0.471) 0.471 17.182 ( -0.000 0.000 4.717) 4.717 17.430 ( -0.000 0.000 -4.696) 4.696 17.531 ( 0.000 -0.000 5.162) 5.162 17.811 ( 0.000 0.000 -4.499) 4.499 18.318 ( 0.000 0.000 5.175) 5.175 18.560 ( 0.000 0.000 -4.296) 4.296 20.445 ( 0.000 0.000 0.947) 0.947 20.505 ( 0.000 -0.000 -1.224) 1.224 20.571 ( 0.000 0.000 2.800) 2.800 20.726 ( 0.000 0.000 -2.771) 2.771 21.004 ( 0.000 0.000 18.154) 18.154 21.974 ( 0.000 0.000 -18.931) 18.931 29.078 ( 0.000 0.000 10.250) 10.250 29.641 ( 0.000 0.000 -11.264) 11.264 32.162 ( 0.000 0.000 1.287) 1.287 32.230 ( 0.000 0.000 -1.268) 1.268 32.731 ( 0.000 0.000 7.768) 7.768 33.120 ( 0.000 0.000 -6.682) 6.682 33.611 ( 0.000 0.000 2.531) 2.531 33.775 ( 0.000 0.000 -3.688) 3.688 33.857 ( 0.000 0.000 3.149) 3.149 34.069 ( 0.000 0.000 -6.834) 6.834 34.934 ( 0.000 0.000 13.345) 13.345 35.480 ( 0.000 0.000 -8.990) 8.990 37.465 ( 0.000 0.000 4.612) 4.612 37.664 ( 0.000 0.000 -2.943) 2.943 ======================= Grid point 171 (34/78) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 20.738 39.472 19.603) 48.707 2.146 ( 13.160 21.776 45.829) 52.419 2.937 ( 12.555 24.116 5.402) 27.720 2.993 ( 18.810 27.290 -9.821) 34.569 3.104 ( 19.676 36.216 9.077) 42.203 4.073 ( 11.434 21.604 26.100) 35.759 4.177 ( 21.101 32.828 17.064) 42.593 4.913 ( 6.866 16.991 -15.086) 23.737 5.233 ( 14.356 20.646 -24.754) 35.286 5.704 ( -3.536 -6.243 -45.483) 46.046 6.450 ( 2.979 3.676 7.557) 8.916 6.628 ( 6.188 10.492 11.584) 16.810 6.755 ( 3.622 9.317 -1.450) 10.101 7.485 ( 11.050 18.222 -26.255) 33.816 8.823 ( -0.110 -0.106 18.971) 18.971 9.308 ( 1.525 2.660 -4.606) 5.533 10.073 ( -2.738 -5.887 11.731) 13.408 10.300 ( -0.011 4.887 5.860) 7.630 10.376 ( 4.877 3.300 2.158) 6.271 10.487 ( 2.070 4.901 5.815) 7.882 11.038 ( -1.526 -3.381 -24.231) 24.513 11.297 ( 0.390 1.814 -27.587) 27.650 11.707 ( 5.633 9.359 34.996) 36.661 12.754 ( -6.993 -15.431 12.134) 20.838 12.874 ( -8.852 -8.654 16.530) 20.652 13.362 ( 4.078 -3.968 -12.474) 13.710 13.464 ( -10.244 -11.856 -5.728) 16.683 13.555 ( -0.246 -8.048 -9.044) 12.109 13.800 ( -8.020 -3.713 0.257) 8.841 13.912 ( -0.708 -1.729 -3.065) 3.589 14.216 ( -1.351 3.420 4.021) 5.449 14.332 ( 6.188 4.925 2.374) 8.257 15.873 ( -11.999 -6.255 1.195) 13.584 16.318 ( -28.541 -10.737 -2.229) 30.575 16.407 ( 0.821 -23.135 2.220) 23.256 16.784 ( 11.863 -42.251 -8.933) 44.785 17.437 ( -2.082 2.396 4.397) 5.423 17.698 ( -7.127 17.774 -9.759) 21.493 18.952 ( 1.917 4.689 23.619) 24.157 19.605 ( -13.805 1.566 -8.117) 16.090 19.832 ( 3.163 -1.111 -0.223) 3.360 19.863 ( 10.915 -6.988 -3.403) 13.399 20.228 ( 7.402 7.558 10.886) 15.179 20.496 ( -2.754 2.999 -0.991) 4.190 20.853 ( -1.633 -1.992 3.778) 4.573 21.413 ( 9.279 16.253 -22.048) 28.920 30.332 ( -20.101 -34.758 47.494) 62.192 31.531 ( -22.096 -37.954 -10.592) 45.177 32.193 ( 1.213 2.135 -0.380) 2.485 32.209 ( 1.466 2.971 -0.474) 3.347 32.469 ( 8.714 14.441 1.511) 16.934 32.545 ( 9.459 15.166 -1.280) 17.920 33.402 ( 1.133 2.342 -0.492) 2.648 33.405 ( -0.201 -0.285 -0.496) 0.607 33.907 ( -6.340 -9.083 0.983) 11.120 33.944 ( -3.660 -7.491 -0.464) 8.350 34.703 ( 13.989 24.171 5.590) 28.481 35.096 ( 3.138 5.390 -10.569) 12.272 37.653 ( -1.473 -2.628 2.629) 3.998 37.716 ( -3.754 -6.524 -0.456) 7.541 ======================= Grid point 172 (35/78) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 14.637 22.815 25.013) 36.884 2.780 ( 20.126 29.140 17.104) 39.329 3.088 ( 1.361 4.813 10.624) 11.742 3.580 ( 15.230 28.211 -17.367) 36.461 4.050 ( 32.477 32.790 11.533) 47.571 4.491 ( 11.973 18.105 23.874) 32.266 5.072 ( 30.363 37.594 1.409) 48.345 5.258 ( 14.084 20.989 -8.107) 26.545 5.667 ( 22.868 4.636 -34.557) 41.697 5.867 ( 10.057 20.538 -29.052) 36.972 6.592 ( 6.524 10.169 8.243) 14.626 6.838 ( 9.460 5.109 -2.836) 11.119 7.051 ( 15.694 16.613 19.985) 30.359 7.758 ( 5.991 3.719 0.797) 7.096 8.907 ( 7.378 6.604 -1.668) 10.041 9.376 ( 2.261 3.240 -9.300) 10.105 9.981 ( -0.700 -6.079 9.254) 11.094 10.324 ( -3.623 7.044 4.752) 9.237 10.548 ( 2.671 8.211 1.554) 8.773 10.580 ( 8.816 -0.742 3.931) 9.681 10.971 ( -2.219 -1.700 -24.409) 24.569 11.293 ( -1.503 -0.645 -23.256) 23.314 11.888 ( 5.289 4.682 27.452) 28.346 12.440 ( -9.046 -19.147 17.630) 27.554 12.602 ( -10.743 -5.848 13.146) 17.956 13.065 ( -15.417 -17.626 -6.211) 24.227 13.389 ( 3.871 -14.437 -6.994) 16.502 13.431 ( -10.760 -11.763 -0.236) 15.944 13.538 ( -13.255 5.808 -3.155) 14.812 13.878 ( -3.189 4.444 -8.095) 9.770 14.165 ( -3.918 -3.947 3.861) 6.770 14.429 ( -1.037 0.387 -3.212) 3.397 15.302 ( -38.042 -9.084 10.513) 40.500 15.552 ( -21.412 -19.166 7.425) 29.681 16.464 ( 16.463 -16.341 -1.660) 23.255 16.801 ( 32.859 -45.866 -12.650) 57.822 17.425 ( -6.468 11.109 5.247) 13.884 17.710 ( -14.400 25.299 -7.861) 30.153 19.038 ( -3.552 8.898 7.485) 12.158 19.272 ( -21.594 1.603 -2.288) 21.774 19.950 ( 14.158 -5.320 0.178) 15.126 20.050 ( 16.003 -8.687 -4.629) 18.788 20.342 ( 0.538 5.371 6.866) 8.734 20.542 ( -2.672 12.434 -0.004) 12.718 20.868 ( 2.087 3.204 10.546) 11.218 21.715 ( 9.756 8.165 -22.194) 25.581 29.771 ( -15.016 -17.516 28.269) 36.489 30.783 ( -22.470 -28.871 -13.357) 38.946 32.216 ( -4.269 9.061 0.295) 10.020 32.246 ( -3.468 8.620 -0.574) 9.309 32.835 ( 18.864 6.119 1.708) 19.905 32.929 ( 19.658 5.754 -1.842) 20.565 33.360 ( -2.850 -5.085 -0.348) 5.839 33.415 ( -3.306 0.605 -3.535) 4.877 33.671 ( -6.885 -2.534 6.813) 10.012 33.874 ( -2.548 0.837 -2.387) 3.590 35.092 ( 2.916 6.899 1.824) 7.709 35.147 ( 7.122 4.157 -0.179) 8.249 37.583 ( -4.025 -4.961 0.602) 6.416 37.631 ( 0.315 -0.773 -1.230) 1.487 ======================= Grid point 173 (36/78) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -12.492 -7.843 19.614) 24.541 3.266 ( 24.339 19.771 4.623) 31.696 3.608 ( 17.331 35.710 11.493) 41.323 4.033 ( 8.145 19.393 -8.120) 22.547 4.735 ( 14.992 18.075 -3.202) 23.701 4.846 ( 4.611 24.783 9.386) 26.899 5.650 ( 11.911 23.413 12.579) 29.126 5.879 ( 10.594 24.184 -20.077) 33.169 6.101 ( 7.123 7.622 -20.713) 23.192 6.423 ( 37.489 17.675 -16.308) 44.540 6.913 ( 17.385 14.560 7.733) 23.959 7.248 ( 31.390 9.720 -4.714) 33.197 7.584 ( 23.237 16.320 24.750) 37.668 7.829 ( 6.654 -1.542 25.072) 25.986 9.200 ( 15.033 8.820 -20.787) 27.127 9.424 ( 0.102 0.521 -17.677) 17.685 9.909 ( -0.514 -8.045 7.529) 11.031 10.310 ( -4.602 3.897 1.528) 6.221 10.529 ( -3.166 -7.092 2.408) 8.132 10.765 ( 4.549 2.929 0.654) 5.450 10.963 ( -0.098 3.404 -15.707) 16.072 11.234 ( -3.743 0.108 -18.351) 18.730 11.935 ( -1.913 -3.504 19.355) 19.763 12.091 ( -7.469 -17.978 17.037) 25.870 12.420 ( -6.301 -0.732 10.692) 12.432 12.603 ( -14.251 -20.088 -3.300) 24.850 12.952 ( -23.407 -5.038 4.840) 24.427 13.143 ( -17.432 -7.673 -5.403) 19.798 13.524 ( 0.363 0.756 -6.754) 6.806 13.880 ( -6.263 2.643 -5.528) 8.762 14.014 ( -4.178 -3.927 -3.196) 6.565 14.236 ( -16.388 -6.796 -8.742) 19.778 14.712 ( -17.580 -0.420 20.061) 26.678 15.134 ( -12.037 -10.368 2.344) 16.058 16.609 ( 25.720 -30.530 2.220) 39.981 16.888 ( 30.208 -47.824 -7.652) 57.080 17.461 ( -7.732 22.061 5.309) 23.973 17.747 ( -12.220 28.798 -5.955) 31.846 18.924 ( -16.272 3.384 -0.444) 16.626 19.001 ( -12.959 7.029 -1.874) 14.861 20.147 ( 14.665 -11.529 1.037) 18.683 20.250 ( 16.989 -5.958 -0.193) 18.004 20.423 ( -0.846 10.696 3.599) 11.317 20.611 ( -4.494 13.774 -1.872) 14.609 20.947 ( 2.697 2.335 15.303) 15.714 21.901 ( 5.763 1.492 -20.948) 21.777 29.414 ( -10.360 -9.749 17.379) 22.459 30.188 ( -16.544 -19.994 -12.744) 28.912 32.234 ( -4.915 10.580 0.405) 11.673 32.273 ( -4.257 10.348 -0.696) 11.211 33.127 ( -7.918 -6.607 1.683) 10.449 33.190 ( 10.801 -2.051 -0.453) 11.003 33.244 ( 11.159 -5.649 2.315) 12.720 33.451 ( 12.279 2.774 -5.421) 13.706 33.658 ( -0.838 7.608 4.991) 9.138 33.861 ( -3.012 5.600 -3.329) 7.177 35.052 ( -3.361 -1.146 7.409) 8.216 35.358 ( 6.271 3.233 -4.470) 8.353 37.489 ( -1.888 -2.981 2.649) 4.412 37.635 ( 1.024 -1.033 -2.827) 3.179 ======================= Grid point 174 (37/78) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -11.543 -10.329 40.047) 42.939 3.895 ( 20.118 20.084 -8.284) 29.610 4.190 ( 11.348 23.175 -2.937) 25.971 4.302 ( 5.823 16.961 -5.870) 18.869 4.952 ( -5.010 15.204 -4.489) 16.626 5.197 ( 0.358 29.567 -0.055) 29.569 5.872 ( -8.591 14.474 6.650) 18.098 6.132 ( -6.805 8.775 -15.546) 19.105 6.298 ( 14.052 15.897 3.040) 21.434 7.091 ( 20.827 4.072 -20.459) 29.477 7.498 ( 21.074 14.919 30.226) 39.753 7.853 ( 29.144 11.131 5.679) 31.710 8.218 ( 37.829 11.429 2.191) 39.579 8.275 ( 31.488 11.282 23.192) 40.702 9.380 ( -1.143 -4.712 -23.476) 23.972 9.534 ( 11.129 6.111 -24.827) 27.885 9.747 ( -5.053 -15.786 7.522) 18.202 10.184 ( -9.626 -9.904 -12.958) 18.939 10.384 ( 2.842 -13.121 15.902) 20.811 10.661 ( -17.059 0.847 4.931) 17.778 10.966 ( -2.990 -3.218 -11.988) 12.767 11.209 ( -2.381 2.018 -15.546) 15.857 11.766 ( -4.949 -10.255 10.206) 15.291 11.856 ( -5.452 -5.279 17.381) 18.966 12.153 ( -11.357 -17.468 -4.201) 21.255 12.393 ( -1.943 4.879 10.285) 11.548 12.637 ( -11.821 2.735 1.057) 12.179 12.784 ( -19.295 9.150 -5.823) 22.134 13.466 ( -6.925 -2.357 -0.025) 7.315 13.598 ( -16.489 -5.359 2.319) 17.493 13.946 ( -6.616 -2.602 -4.855) 8.609 14.057 ( 2.892 2.771 -11.115) 11.815 14.561 ( -4.943 2.821 12.606) 13.831 14.861 ( -9.478 -7.168 0.606) 11.898 16.703 ( 24.960 -39.785 3.378) 47.088 16.879 ( 23.249 -46.657 -2.766) 52.202 17.630 ( -1.203 26.958 4.559) 27.368 17.867 ( -8.271 29.985 -3.966) 31.356 18.711 ( -11.376 3.092 -0.869) 11.821 18.812 ( -16.353 6.522 -3.760) 18.003 20.249 ( 11.103 -11.497 4.436) 16.588 20.469 ( 8.216 -2.498 -4.099) 9.515 20.515 ( 3.946 6.067 4.031) 8.284 20.669 ( -3.666 11.762 -1.832) 12.456 20.997 ( 0.669 1.788 16.678) 16.787 21.958 ( 1.860 -2.398 -19.449) 19.685 29.197 ( -6.259 -4.619 11.855) 14.179 29.798 ( -8.877 -12.879 -11.110) 19.186 32.255 ( -5.121 10.802 0.439) 11.962 32.306 ( -4.341 10.909 -1.061) 11.789 32.901 ( -8.509 -4.222 5.603) 11.029 33.154 ( -1.294 -4.547 -3.801) 6.066 33.486 ( 12.579 -3.431 2.937) 13.365 33.702 ( 7.436 2.710 -2.181) 8.209 33.757 ( 7.563 0.342 -1.734) 7.767 33.878 ( -1.288 7.169 -2.340) 7.650 34.987 ( -2.892 -0.244 10.599) 10.989 35.438 ( 2.553 -1.317 -7.251) 7.799 37.452 ( 0.194 -1.790 3.976) 4.365 37.641 ( 1.153 -1.758 -3.119) 3.761 ======================= Grid point 175 (38/78) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -2.631 -4.978 56.828) 57.107 4.236 ( 2.192 6.793 2.345) 7.514 4.447 ( -0.042 18.022 -2.012) 18.134 4.649 ( 8.665 8.509 -51.670) 53.078 4.957 ( -11.623 20.717 13.504) 27.324 5.406 ( -10.308 27.918 -5.338) 30.235 5.793 ( -14.382 14.206 1.796) 20.295 6.046 ( -9.184 7.283 -11.639) 16.518 6.707 ( 16.056 7.560 17.821) 25.150 7.224 ( -5.689 4.618 12.859) 14.801 7.994 ( 20.949 6.320 6.272) 22.763 8.515 ( 25.357 6.745 3.745) 26.505 8.698 ( 12.926 -1.765 7.887) 15.245 8.921 ( 14.786 4.113 0.974) 15.379 9.419 ( -9.856 -18.675 4.101) 21.511 9.491 ( 12.438 5.494 -8.814) 16.204 9.603 ( 5.500 -8.348 -19.840) 22.217 9.858 ( -5.473 -18.886 -11.506) 22.782 10.229 ( -14.204 -7.737 6.157) 17.307 10.458 ( 4.375 -4.197 14.558) 15.770 10.775 ( -3.090 -13.208 -16.693) 21.509 11.191 ( 1.913 -1.144 -15.929) 16.084 11.568 ( -4.892 -14.033 11.231) 18.627 11.803 ( -6.684 7.328 11.214) 14.971 11.957 ( 0.496 5.297 -3.113) 6.164 12.413 ( -4.986 9.315 -1.325) 10.649 12.552 ( -6.827 11.744 2.748) 13.859 12.682 ( -7.470 11.355 2.142) 13.759 13.296 ( -7.291 -1.124 3.763) 8.281 13.349 ( -6.502 1.650 1.952) 6.986 13.883 ( -1.497 1.021 -4.034) 4.422 14.124 ( 1.327 1.809 -10.596) 10.831 14.525 ( -3.031 0.133 5.905) 6.639 14.675 ( -3.643 -3.458 1.337) 5.198 16.677 ( 19.009 -41.007 3.557) 45.339 16.768 ( 17.244 -44.746 0.164) 47.954 17.943 ( 7.586 21.482 2.575) 22.927 18.056 ( -5.294 30.822 -1.383) 31.304 18.551 ( -16.058 7.817 -2.475) 18.030 18.605 ( -9.829 4.130 -2.514) 10.954 20.295 ( 6.694 -11.666 5.448) 14.511 20.476 ( -2.808 -0.989 -0.446) 3.011 20.660 ( 6.540 -1.198 -1.081) 6.737 20.721 ( -1.106 7.020 -1.459) 7.255 21.018 ( -1.286 4.148 16.478) 17.040 21.947 ( 1.054 -3.308 -18.332) 18.658 29.094 ( -2.348 -0.956 9.610) 9.939 29.611 ( -1.003 -7.261 -10.004) 12.402 32.271 ( -5.573 10.598 0.597) 11.989 32.336 ( -5.140 10.936 -1.492) 12.176 32.765 ( -4.005 -0.572 7.175) 8.237 33.104 ( 0.129 -2.667 -5.626) 6.228 33.590 ( 2.851 -1.690 2.852) 4.373 33.787 ( -0.298 -0.967 -4.285) 4.403 33.816 ( 2.773 -0.152 2.487) 3.728 33.993 ( 7.012 -0.439 -5.279) 8.788 34.952 ( -1.482 0.990 12.029) 12.161 35.449 ( 1.709 -2.810 -8.086) 8.729 37.447 ( 0.908 -1.670 4.333) 4.732 37.641 ( 1.187 -2.282 -2.995) 3.948 ======================= Grid point 176 (39/78) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 7.541 2.143 56.426) 56.968 4.218 ( -7.673 0.829 5.087) 9.243 4.420 ( -14.835 -2.021 -19.028) 24.212 4.651 ( -14.160 12.626 -13.487) 23.277 5.059 ( -5.702 18.983 -13.897) 24.208 5.396 ( -18.743 22.382 -10.873) 31.152 5.709 ( -11.456 14.387 4.556) 18.947 6.006 ( -4.605 8.909 -10.435) 14.473 6.932 ( -2.957 0.537 16.771) 17.038 7.083 ( -7.720 4.141 27.801) 29.149 8.119 ( -11.233 -8.391 3.689) 14.498 8.438 ( -20.742 -23.592 4.834) 31.784 8.764 ( -2.753 -7.091 0.199) 7.610 8.867 ( -22.561 -22.380 -7.181) 32.579 9.104 ( 10.690 -5.514 -7.744) 14.306 9.426 ( 3.776 -15.653 -5.295) 16.950 9.750 ( 9.299 -1.408 -7.023) 11.738 9.953 ( 4.461 -4.492 6.620) 9.160 10.199 ( 22.642 10.491 -1.794) 25.019 10.599 ( 13.883 -3.293 8.048) 16.382 10.704 ( 0.430 0.084 -14.849) 14.856 11.166 ( -1.202 -12.214 -6.000) 13.661 11.506 ( 13.433 -1.440 1.419) 13.585 11.769 ( -6.468 10.789 -4.293) 13.292 12.065 ( -1.009 7.459 6.848) 10.175 12.480 ( -1.580 3.210 12.933) 13.419 12.521 ( -5.602 18.393 -6.611) 20.332 12.692 ( -4.856 9.908 1.552) 11.142 13.325 ( 7.163 9.956 4.442) 13.044 13.434 ( 5.596 15.269 0.403) 16.267 13.885 ( -0.166 2.431 -3.162) 3.992 14.135 ( -1.839 1.622 -11.083) 11.351 14.437 ( -2.041 -4.873 7.536) 9.203 14.679 ( 3.687 0.259 -0.737) 3.769 16.553 ( 14.285 -40.433 2.618) 42.962 16.591 ( 14.976 -44.702 1.080) 47.156 18.208 ( -2.146 8.696 1.459) 9.075 18.327 ( 1.158 20.387 3.620) 20.738 18.391 ( -13.571 32.000 -5.015) 35.119 18.540 ( -1.796 3.388 -3.453) 5.160 20.229 ( 1.772 -15.542 5.425) 16.556 20.364 ( -4.424 -8.221 0.232) 9.338 20.709 ( 1.223 -1.189 -0.468) 1.769 20.764 ( -2.649 6.572 -2.070) 7.382 21.038 ( -1.629 4.145 15.715) 16.334 21.947 ( 2.350 -2.619 -18.282) 18.617 29.093 ( 1.950 1.466 9.657) 9.961 29.613 ( 6.937 -2.578 -10.105) 12.525 32.273 ( -6.347 10.391 0.855) 12.206 32.343 ( -6.558 10.679 -1.539) 12.626 32.751 ( 1.599 1.875 7.297) 7.701 33.110 ( 2.723 -1.108 -6.408) 7.051 33.571 ( -1.203 -4.637 2.681) 5.490 33.720 ( -2.618 -5.641 -3.004) 6.906 33.835 ( -0.527 -1.425 3.238) 3.577 34.057 ( 0.860 -0.860 -6.816) 6.924 34.954 ( -0.008 1.899 12.177) 12.324 35.452 ( 1.729 -2.660 -8.069) 8.671 37.445 ( 0.883 -1.759 4.328) 4.755 37.638 ( 1.200 -2.397 -2.960) 3.994 ======================= Grid point 177 (40/78) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 13.868 6.835 40.580) 43.425 3.899 ( -22.319 -15.583 -5.467) 27.765 4.054 ( -24.982 7.078 1.187) 25.992 4.455 ( -21.319 9.601 -4.013) 23.723 5.008 ( -15.567 7.495 -15.460) 23.184 5.265 ( -20.964 20.511 -16.071) 33.443 5.640 ( -10.347 7.792 3.786) 13.495 6.018 ( -6.005 6.237 -9.759) 13.046 6.547 ( -28.893 -0.587 14.689) 32.418 7.165 ( 4.552 -0.889 16.190) 16.841 7.509 ( -33.730 -20.412 8.274) 40.285 7.679 ( -29.245 -29.630 4.671) 41.893 8.185 ( -25.504 -25.388 -6.874) 36.637 8.352 ( -22.879 -16.676 16.334) 32.685 9.245 ( 7.298 -3.472 -23.205) 24.572 9.465 ( 3.273 -4.073 -22.412) 23.013 9.810 ( 6.548 -5.327 12.391) 14.993 10.172 ( 14.558 0.008 5.021) 15.399 10.573 ( 5.171 8.518 -4.269) 10.841 10.675 ( 3.367 -5.958 -9.077) 11.368 10.912 ( 14.187 13.030 4.012) 19.676 11.034 ( -3.873 -3.985 0.852) 5.622 11.749 ( 6.807 -4.604 -5.523) 9.901 11.930 ( 17.061 6.213 -10.863) 21.158 12.094 ( 6.451 3.494 16.748) 18.284 12.465 ( -1.776 4.854 16.160) 16.966 12.655 ( 2.668 7.075 -6.986) 10.295 12.800 ( 1.868 18.611 0.749) 18.720 13.663 ( 11.650 11.467 0.017) 16.347 13.763 ( 6.817 22.110 1.445) 23.182 13.954 ( 4.129 2.648 -4.881) 6.920 14.154 ( 0.774 15.024 -10.858) 18.553 14.397 ( 3.456 -2.947 13.677) 14.411 14.776 ( 9.045 -2.575 -0.828) 9.441 16.370 ( 14.573 -44.356 0.484) 46.691 16.421 ( 13.820 -37.655 0.294) 40.112 18.057 ( -15.862 6.074 5.976) 18.006 18.412 ( -9.612 11.766 -7.809) 17.083 18.620 ( 4.573 22.665 1.531) 23.173 18.755 ( 4.105 23.999 -3.202) 24.558 20.068 ( 1.148 -19.764 4.580) 20.320 20.167 ( -4.216 -14.495 0.669) 15.110 20.686 ( -3.489 -0.023 -0.511) 3.527 20.751 ( -6.705 7.558 -1.702) 10.246 21.031 ( -2.451 1.010 15.951) 16.170 21.958 ( 1.238 -2.817 -19.235) 19.479 29.196 ( 7.185 3.052 11.966) 14.287 29.804 ( 15.582 1.422 -11.321) 19.313 32.259 ( -7.039 10.197 0.966) 12.428 32.323 ( -7.649 10.273 -1.281) 12.872 32.859 ( 7.787 2.816 6.096) 10.283 33.170 ( 4.650 -0.854 -5.917) 7.573 33.448 ( -3.600 -11.495 2.919) 12.394 33.584 ( -3.227 -10.809 -2.584) 11.573 33.777 ( -5.749 1.800 3.904) 7.179 34.015 ( -5.643 1.789 -6.460) 8.762 34.989 ( 1.529 2.375 10.881) 11.242 35.443 ( -0.251 -2.703 -7.241) 7.733 37.448 ( 1.501 -1.172 3.962) 4.396 37.634 ( 0.993 -2.085 -3.035) 3.814 ======================= Grid point 178 (41/78) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 10.889 7.835 23.151) 26.757 3.272 ( -27.487 -16.165 10.572) 33.595 3.599 ( -36.147 8.196 5.620) 37.488 4.102 ( -25.890 2.602 -7.809) 27.167 4.678 ( -24.874 -3.579 -4.859) 25.596 5.014 ( -26.743 10.350 0.054) 28.676 5.498 ( -11.571 2.793 -10.167) 15.654 5.704 ( -30.357 -6.721 -0.147) 31.093 6.120 ( -19.397 -4.304 -11.583) 22.998 6.598 ( -37.504 -19.054 -10.564) 43.373 6.905 ( -24.634 -13.993 4.650) 28.710 7.206 ( -8.262 -9.380 20.116) 23.683 7.541 ( -21.996 -14.983 2.015) 26.690 7.877 ( -11.257 -8.321 17.710) 22.575 9.147 ( -9.816 -6.924 -16.738) 20.602 9.444 ( -1.956 -0.779 -19.000) 19.116 9.898 ( 6.274 -3.051 12.709) 14.498 10.336 ( 1.635 5.210 2.932) 6.198 10.573 ( -2.797 -3.281 -3.344) 5.456 10.757 ( 3.605 2.070 -15.875) 16.411 10.893 ( -6.863 -2.671 -0.266) 7.370 11.268 ( 8.331 7.056 -8.634) 13.918 11.818 ( 7.152 -0.567 10.756) 12.929 12.134 ( 13.372 -3.523 13.708) 19.472 12.495 ( 2.708 6.476 18.616) 19.896 12.578 ( 29.468 2.672 -4.139) 29.877 12.854 ( 10.056 9.577 -5.671) 15.000 13.067 ( 9.779 12.483 -3.636) 16.268 13.778 ( -1.383 4.163 -5.469) 7.011 13.940 ( -2.707 -1.851 -8.168) 8.801 14.161 ( 8.410 18.890 4.139) 21.087 14.302 ( 2.172 -2.533 3.693) 4.977 14.809 ( 21.378 38.943 4.847) 44.689 14.994 ( 19.496 0.278 3.350) 19.783 16.198 ( 18.945 -46.106 -0.395) 49.849 16.325 ( 12.436 -26.268 -3.459) 29.268 17.823 ( -17.013 5.076 8.268) 19.585 18.299 ( -10.552 1.028 -9.991) 14.568 18.985 ( 4.248 27.414 -1.096) 27.762 19.019 ( 0.863 22.600 -1.347) 22.656 19.890 ( 3.356 -22.233 2.282) 22.601 19.956 ( -1.389 -15.247 0.706) 15.326 20.578 ( -8.289 -0.492 1.409) 8.422 20.695 ( -7.924 6.988 -1.417) 10.659 20.968 ( -4.400 -1.148 15.232) 15.897 21.903 ( -4.117 -4.223 -20.645) 21.471 29.414 ( 13.696 4.104 17.494) 22.594 30.194 ( 25.503 4.347 -12.913) 28.914 32.236 ( -6.979 9.834 0.836) 12.087 32.289 ( -7.513 9.456 -0.969) 12.116 33.046 ( 8.226 -1.946 1.716) 8.625 33.175 ( -2.243 -12.185 -1.684) 12.503 33.241 ( -3.572 -7.915 3.291) 9.287 33.434 ( -1.141 -4.463 -4.403) 6.372 33.693 ( -6.157 3.712 5.251) 8.903 33.923 ( -6.765 3.320 -4.634) 8.847 35.051 ( 2.574 2.279 7.572) 8.315 35.361 ( -6.093 -3.801 -4.504) 8.477 37.486 ( 3.642 0.151 2.634) 4.497 37.630 ( 0.550 -1.419 -2.739) 3.134 ======================= Grid point 179 (42/78) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -27.426 -3.738 30.094) 40.888 2.737 ( -31.497 -1.239 19.886) 37.270 3.128 ( -9.534 -0.382 2.307) 9.816 3.593 ( -33.099 -0.105 -15.590) 36.587 4.017 ( -43.004 -9.580 11.175) 45.454 4.553 ( -26.186 -5.066 21.363) 34.172 4.966 ( -42.422 -4.866 7.153) 43.295 5.331 ( -20.119 4.040 -22.843) 30.707 5.556 ( -18.342 -14.699 -25.666) 34.803 5.933 ( -26.241 -5.366 -26.539) 37.705 6.555 ( -9.695 0.469 9.995) 13.932 6.882 ( -13.158 -7.593 6.153) 16.390 7.067 ( -20.510 -5.480 9.538) 23.273 7.739 ( -5.906 -2.402 -1.007) 6.454 8.906 ( -8.832 -2.884 -0.523) 9.305 9.378 ( -4.185 -0.519 -9.534) 10.425 9.971 ( 5.529 -1.545 11.607) 12.949 10.364 ( -4.834 6.636 5.432) 9.844 10.469 ( -5.087 -2.298 -3.774) 6.738 10.639 ( -8.089 -5.575 6.593) 11.832 10.937 ( 5.390 3.179 -25.269) 26.032 11.329 ( -0.680 -1.067 -22.429) 22.465 11.866 ( -4.472 -0.687 27.224) 27.598 12.416 ( 19.437 0.521 16.589) 25.559 12.664 ( 11.816 1.652 17.497) 21.178 13.097 ( 22.950 4.434 -5.165) 23.938 13.157 ( 12.381 8.354 -7.317) 16.632 13.362 ( 13.475 2.333 -7.739) 15.714 13.781 ( -0.861 0.916 -5.347) 5.493 13.887 ( -2.000 1.919 -5.202) 5.895 14.269 ( 3.002 -8.827 6.380) 11.297 14.368 ( -1.760 8.171 2.611) 8.756 15.471 ( 26.994 10.268 10.401) 30.696 15.706 ( 26.231 45.608 -0.114) 52.613 16.144 ( 28.253 -40.530 -2.618) 49.475 16.324 ( 8.944 -10.898 -7.065) 15.769 17.582 ( -12.139 -0.360 7.472) 14.259 18.055 ( -13.823 -6.894 -12.432) 19.828 19.062 ( -7.759 7.262 9.024) 13.942 19.439 ( 7.904 27.609 -7.395) 29.655 19.764 ( 6.593 -18.130 0.690) 19.304 19.834 ( 0.390 -6.114 -1.201) 6.243 20.401 ( -9.891 -1.714 7.056) 12.270 20.608 ( -7.638 2.233 -0.476) 7.972 20.875 ( -4.060 -0.531 10.146) 10.941 21.717 ( -11.948 -4.477 -22.073) 25.495 29.771 ( 22.704 4.239 28.337) 36.557 30.786 ( 36.178 4.828 -13.426) 38.890 32.216 ( -5.854 8.389 0.492) 10.242 32.254 ( -6.139 7.149 -0.729) 9.451 32.820 ( -13.801 -12.278 1.290) 18.517 32.901 ( -13.331 -12.623 -1.614) 18.430 33.339 ( 7.205 2.118 1.062) 7.584 33.440 ( -0.595 0.854 -3.794) 3.934 33.696 ( 5.455 2.796 5.744) 8.400 33.879 ( -0.792 2.207 -2.320) 3.299 35.089 ( -7.265 0.880 1.927) 7.568 35.149 ( -7.389 -4.035 -0.293) 8.424 37.582 ( 6.374 1.052 0.599) 6.488 37.628 ( 0.610 -0.525 -1.184) 1.432 ======================= Grid point 184 (43/78) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -9.709 -11.173 21.703) 26.271 3.105 ( 17.516 26.574 8.256) 32.881 3.713 ( 19.885 37.463 3.978) 42.600 4.105 ( 10.151 22.391 -2.467) 24.708 4.634 ( 16.793 25.589 1.565) 30.647 5.071 ( 12.373 37.665 10.092) 40.910 5.727 ( 23.517 22.127 -7.249) 33.094 5.773 ( 29.861 9.741 -18.122) 36.263 5.881 ( 4.882 36.827 -7.917) 37.983 6.327 ( 4.732 24.627 -19.793) 31.948 6.818 ( 15.151 11.822 5.340) 19.945 7.046 ( 0.151 16.012 1.532) 16.086 7.383 ( 11.708 14.077 21.781) 28.454 7.785 ( 0.726 2.907 18.429) 18.671 9.085 ( 7.312 9.697 -14.679) 19.052 9.431 ( 0.126 1.108 -18.749) 18.782 9.865 ( -3.044 -5.714 10.242) 12.116 10.418 ( -2.270 -2.250 10.804) 11.266 10.491 ( -2.939 -4.002 -10.133) 11.284 10.772 ( 4.638 11.904 2.684) 13.055 10.911 ( 2.757 -4.272 -17.476) 18.201 11.314 ( -2.088 1.327 -16.711) 16.893 11.859 ( -0.390 -9.692 17.290) 19.825 12.084 ( -8.707 -12.623 17.692) 23.413 12.498 ( -5.491 -4.268 9.809) 12.024 12.625 ( -12.765 -22.595 0.640) 25.960 13.064 ( 0.574 -15.188 -5.842) 16.283 13.214 ( -3.245 -8.800 -2.966) 9.837 13.707 ( -10.564 7.619 -2.151) 13.202 13.924 ( 1.839 0.977 -5.687) 6.056 14.115 ( -9.710 -0.639 2.852) 10.140 14.424 ( -1.966 -1.040 -4.951) 5.428 15.096 ( -3.871 -23.342 12.984) 26.989 15.278 ( -44.499 2.581 8.443) 45.366 15.804 ( 34.737 -47.848 -3.885) 59.255 16.093 ( -1.264 -16.113 -8.605) 18.310 17.750 ( -2.066 16.375 6.769) 17.839 18.138 ( -6.832 15.939 -8.304) 19.227 19.221 ( -3.726 6.684 -0.270) 7.657 19.358 ( -16.461 5.063 -3.316) 17.538 19.705 ( 17.474 -13.793 3.238) 22.496 19.873 ( 12.400 -5.424 -0.237) 13.537 20.533 ( 0.770 9.385 4.104) 10.272 20.745 ( 1.580 6.928 0.471) 7.122 20.952 ( 1.869 4.971 11.377) 12.556 21.847 ( 2.550 4.584 -20.657) 21.312 29.458 ( -7.512 -13.066 18.085) 23.541 30.232 ( -14.364 -24.435 -12.186) 30.853 32.392 ( 3.800 7.397 0.075) 8.316 32.433 ( 3.603 8.634 -0.852) 9.394 32.958 ( 5.968 5.683 0.763) 8.276 33.009 ( 5.177 2.307 -0.440) 5.685 33.196 ( -4.436 -6.839 2.930) 8.663 33.394 ( -2.138 -2.236 -5.203) 6.053 33.724 ( 1.674 5.018 5.751) 7.814 33.944 ( 0.954 5.175 -3.531) 6.337 35.082 ( -1.283 -2.331 5.892) 6.465 35.311 ( 3.570 6.462 -3.047) 7.987 37.488 ( -2.188 -3.985 2.179) 5.042 37.615 ( -0.220 -0.833 -2.625) 2.763 ======================= Grid point 185 (44/78) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -13.241 -12.982 38.934) 43.124 3.719 ( 21.745 22.975 -12.902) 34.164 4.321 ( 9.725 28.009 -3.316) 29.834 4.420 ( 3.019 19.401 -1.094) 19.665 5.128 ( 10.905 23.462 6.338) 26.637 5.620 ( -1.811 47.100 1.204) 47.150 6.105 ( 0.923 17.133 4.323) 17.694 6.305 ( 8.694 14.920 -12.880) 21.543 6.389 ( 5.981 26.110 -20.905) 33.978 6.769 ( 24.477 17.389 -10.133) 31.689 7.236 ( 13.594 16.989 6.662) 22.755 7.416 ( 34.309 6.604 -2.770) 35.049 7.801 ( 23.351 2.432 29.452) 37.664 7.904 ( 10.039 13.473 25.360) 30.421 9.290 ( 3.914 -5.916 -18.541) 19.852 9.417 ( 4.785 2.134 -26.195) 26.713 9.694 ( -6.858 -13.679 9.071) 17.789 10.240 ( -5.345 -18.172 11.911) 22.376 10.322 ( -10.524 -1.784 -9.525) 14.306 10.875 ( -1.620 -7.645 -13.293) 15.420 10.913 ( -2.866 1.693 1.826) 3.796 11.284 ( -2.647 -1.913 -11.922) 12.362 11.679 ( -3.656 -13.436 8.581) 16.356 11.898 ( -2.653 -2.701 14.032) 14.534 12.188 ( -9.682 -14.388 2.608) 17.537 12.469 ( -2.086 2.922 11.076) 11.644 12.872 ( -8.268 -1.725 -2.565) 8.827 13.081 ( -6.213 2.033 -3.816) 7.569 13.644 ( -8.872 9.292 0.504) 12.857 13.873 ( -14.988 -3.315 -3.471) 15.738 13.976 ( 1.892 -1.128 -5.485) 5.910 14.221 ( -19.261 4.469 -11.759) 23.005 14.750 ( -17.280 3.532 16.233) 23.970 14.879 ( -1.124 -14.960 8.602) 17.294 15.905 ( 27.061 -42.864 -2.924) 50.775 15.974 ( 16.584 -31.842 -2.783) 36.009 17.860 ( -2.280 13.707 5.676) 15.010 18.184 ( -4.398 13.284 -6.596) 15.470 19.047 ( -17.503 9.078 -0.629) 19.728 19.202 ( -14.652 11.847 -6.426) 19.908 19.897 ( 16.220 -10.354 6.405) 20.281 20.115 ( 20.018 -6.415 0.166) 21.022 20.606 ( -1.584 5.643 3.799) 6.985 20.785 ( -2.235 2.197 3.927) 5.024 21.045 ( 1.037 8.400 8.080) 11.702 21.897 ( 1.616 -1.760 -19.019) 19.168 29.246 ( -5.333 -6.568 11.677) 14.420 29.807 ( -9.809 -16.886 -9.777) 21.839 32.489 ( -4.316 13.349 -0.418) 14.036 32.541 ( -4.479 15.013 -1.208) 15.714 32.969 ( -3.251 -7.271 3.692) 8.779 33.102 ( 2.075 -4.188 -1.941) 5.061 33.211 ( 12.110 0.406 3.268) 12.550 33.442 ( 10.935 -1.809 -5.933) 12.572 33.790 ( -0.288 4.196 4.240) 5.972 33.984 ( -2.471 4.582 -3.519) 6.283 35.035 ( -2.224 -0.392 8.296) 8.598 35.382 ( 1.698 -0.796 -5.284) 5.607 37.431 ( -0.590 -2.589 3.374) 4.293 37.602 ( 0.458 -2.093 -3.112) 3.778 ======================= Grid point 186 (45/78) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -7.211 -8.591 60.300) 61.334 4.228 ( 11.437 13.337 -11.499) 20.998 4.612 ( 0.758 11.311 -20.246) 23.204 4.684 ( 5.094 23.130 -18.090) 29.802 5.432 ( -8.396 27.810 15.860) 33.097 5.952 ( -9.552 39.251 -0.281) 40.397 6.172 ( -8.439 16.803 11.176) 21.874 6.401 ( -11.664 20.057 -16.207) 28.302 6.726 ( -2.540 26.426 -5.173) 27.047 7.227 ( 13.784 11.598 -13.643) 22.598 7.771 ( 13.338 11.874 21.886) 28.247 7.989 ( 36.591 3.143 2.346) 36.800 8.349 ( 26.690 2.827 14.342) 30.430 8.503 ( 40.074 9.642 17.752) 44.878 9.118 ( 0.229 -22.282 -6.393) 23.182 9.358 ( -4.138 -21.294 -2.665) 21.856 9.585 ( 2.056 -2.538 -15.511) 15.851 9.867 ( -13.049 -19.222 -6.088) 24.017 10.158 ( -3.803 -5.825 0.781) 7.001 10.562 ( -17.525 -25.933 4.909) 31.682 10.722 ( -4.570 -8.091 -15.602) 18.160 11.120 ( -4.490 -15.084 -14.879) 21.658 11.572 ( -3.549 1.326 15.726) 16.176 11.921 ( 1.968 2.626 19.499) 19.773 12.053 ( -1.760 12.355 -8.348) 15.014 12.488 ( -0.366 3.064 8.162) 8.726 12.835 ( -4.652 15.663 -3.867) 16.791 13.048 ( -9.322 14.602 -7.730) 18.970 13.482 ( -14.802 2.386 5.355) 15.921 13.540 ( -16.073 -0.454 -0.496) 16.087 13.924 ( -2.534 -0.005 -5.359) 5.928 14.130 ( -0.075 4.547 -11.157) 12.049 14.605 ( -5.856 0.360 8.415) 10.258 14.714 ( -4.729 -5.620 5.164) 8.979 15.894 ( 20.985 -38.745 2.053) 44.111 15.975 ( 21.876 -40.833 0.488) 46.327 17.960 ( 2.887 5.290 5.209) 7.966 18.255 ( 0.868 6.377 -5.900) 8.731 18.884 ( -14.873 15.750 0.042) 21.662 19.072 ( -16.645 18.450 -7.822) 26.050 20.047 ( 10.607 -7.633 8.895) 15.807 20.381 ( 14.383 -4.254 -4.262) 15.593 20.586 ( -2.697 -0.826 5.950) 6.585 20.736 ( -1.399 -3.544 5.450) 6.650 21.146 ( -1.702 11.637 5.816) 13.120 21.881 ( 1.118 -4.962 -16.882) 17.632 29.132 ( -3.058 -1.614 8.195) 8.895 29.548 ( -3.283 -11.354 -7.524) 14.010 32.528 ( -7.132 14.516 -0.906) 16.199 32.596 ( -7.108 16.385 -2.207) 17.996 32.848 ( -5.188 -0.108 6.033) 7.958 33.071 ( -0.135 -3.213 -3.201) 4.537 33.432 ( 12.012 -2.072 2.980) 12.548 33.654 ( 13.222 -3.354 -6.289) 15.021 33.794 ( -1.009 -0.569 3.227) 3.429 33.950 ( -3.075 -0.298 -2.795) 4.166 35.002 ( -2.232 1.749 9.059) 9.492 35.378 ( 1.568 -4.411 -5.832) 7.478 37.409 ( 0.726 -2.291 3.744) 4.450 37.589 ( 1.085 -3.032 -3.078) 4.455 ======================= Grid point 187 (46/78) ======================= q-point: ( 0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 3.471 -2.633 69.951) 70.087 4.372 ( -5.014 6.379 0.854) 8.159 4.632 ( -6.307 3.319 -29.650) 30.495 4.954 ( -2.821 16.079 -35.119) 38.728 5.445 ( -13.774 22.093 16.670) 30.914 6.036 ( -17.396 22.432 -4.695) 28.772 6.226 ( -16.688 35.231 1.912) 39.030 6.375 ( -16.451 27.597 -10.453) 33.786 6.903 ( -0.559 13.245 14.601) 19.722 7.399 ( -9.295 12.752 3.770) 16.224 8.059 ( 7.942 -1.466 14.826) 16.883 8.479 ( -6.951 -19.529 3.671) 21.051 8.545 ( 20.017 -5.066 -4.818) 21.203 8.814 ( 3.163 -11.795 6.953) 14.053 9.063 ( -9.817 -18.889 0.290) 21.289 9.160 ( 4.149 -20.433 10.933) 23.543 9.544 ( 17.513 -9.038 -3.914) 20.092 9.712 ( 10.611 0.147 -21.066) 23.588 9.931 ( 1.676 -17.742 5.806) 18.743 10.236 ( 11.210 -9.119 5.975) 15.637 10.679 ( 3.529 -1.757 -19.904) 20.291 10.945 ( 5.605 -17.083 -15.029) 23.433 11.492 ( -8.034 6.581 18.743) 21.428 12.056 ( 0.973 13.004 12.049) 17.754 12.147 ( -5.463 9.706 -7.538) 13.449 12.515 ( 0.234 1.530 8.383) 8.525 12.882 ( -14.063 16.010 -9.358) 23.274 12.973 ( -11.506 14.911 -2.861) 19.050 13.353 ( 0.257 7.217 4.920) 8.738 13.505 ( 3.803 13.916 0.844) 14.451 13.917 ( -0.154 2.122 -3.032) 3.705 14.179 ( 0.419 4.056 -11.181) 11.902 14.462 ( -6.512 -4.602 6.582) 10.339 14.649 ( -0.802 -0.307 1.001) 1.319 15.859 ( 18.977 -37.652 3.688) 42.325 15.879 ( 14.892 -41.598 2.712) 44.266 18.063 ( 7.388 -3.958 4.918) 9.718 18.336 ( 5.517 -1.965 -5.473) 8.016 18.856 ( -11.336 24.416 -0.352) 26.922 19.022 ( -14.669 26.995 -7.711) 31.676 20.075 ( 1.479 -9.425 10.201) 13.967 20.383 ( -6.200 -7.596 -2.241) 10.058 20.610 ( 6.499 -3.698 3.610) 8.304 20.727 ( 5.922 -3.604 4.811) 8.438 21.201 ( -5.691 11.087 4.900) 13.391 21.860 ( 2.816 -5.066 -15.677) 16.714 29.098 ( -0.803 1.217 7.098) 7.247 29.463 ( 4.150 -6.896 -6.671) 10.454 32.540 ( -7.772 14.109 -0.725) 16.124 32.626 ( -8.335 16.132 -2.637) 18.349 32.795 ( -3.604 4.588 6.524) 8.752 33.049 ( 1.210 -2.467 -4.298) 5.101 33.531 ( 1.531 -4.799 3.171) 5.953 33.717 ( -2.352 -6.210 -3.940) 7.721 33.780 ( 3.016 -2.791 2.892) 5.024 33.958 ( 6.905 -2.597 -4.856) 8.832 34.992 ( -1.577 2.899 9.323) 9.890 35.368 ( 3.022 -4.844 -5.776) 8.121 37.403 ( 1.209 -2.300 3.754) 4.565 37.581 ( 1.628 -3.156 -2.972) 4.631 ======================= Grid point 189 (47/78) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 13.117 1.085 59.668) 61.102 4.175 ( -19.280 -3.425 -12.375) 23.165 4.499 ( -15.051 8.940 -11.764) 21.092 4.862 ( -15.171 3.187 -12.190) 19.721 5.422 ( -15.606 15.116 -5.944) 22.525 5.895 ( -21.609 23.569 -13.807) 34.830 6.211 ( -27.317 34.551 2.863) 44.139 6.376 ( -16.668 26.671 -8.681) 32.627 6.929 ( -7.872 -0.668 18.065) 19.717 7.184 ( -17.925 0.288 11.288) 21.185 7.770 ( -21.534 -20.394 19.770) 35.644 7.903 ( -26.092 -26.517 -4.620) 37.487 8.338 ( -24.133 -28.191 -6.680) 37.707 8.492 ( -12.168 -17.500 14.269) 25.650 8.982 ( 17.153 -5.070 -16.098) 24.064 9.256 ( 16.760 -1.863 -3.797) 17.286 9.648 ( 2.937 -8.474 0.143) 8.970 9.825 ( 20.046 -2.698 9.006) 22.141 10.361 ( 24.319 4.617 -8.658) 26.224 10.589 ( 17.251 1.642 -2.646) 17.530 10.643 ( 8.761 -7.166 -6.206) 12.908 11.047 ( 11.453 0.135 -11.648) 16.335 11.488 ( 2.432 4.403 10.637) 11.766 12.053 ( -9.548 1.551 -5.118) 10.944 12.097 ( -5.453 5.107 9.879) 12.386 12.516 ( -0.092 0.807 11.558) 11.586 12.782 ( -8.294 8.201 -7.796) 14.029 12.993 ( -4.341 14.684 -0.353) 15.316 13.603 ( 9.740 13.166 -2.098) 16.510 13.826 ( 9.622 18.755 -2.689) 21.250 13.965 ( 1.604 6.666 0.597) 6.882 14.241 ( 1.078 -1.573 -3.857) 4.303 14.377 ( 1.184 12.391 4.117) 13.110 14.638 ( 1.910 -3.461 -0.109) 3.954 15.671 ( 11.610 -43.542 4.723) 45.310 15.820 ( 16.309 -29.535 0.005) 33.739 18.109 ( 3.130 -6.820 5.041) 9.040 18.392 ( 4.325 -5.280 -5.694) 8.889 18.981 ( -5.121 28.314 -1.272) 28.802 19.108 ( -7.639 27.611 -7.691) 29.662 19.921 ( -4.453 -13.161 10.199) 17.236 20.137 ( -8.470 -13.066 0.811) 15.592 20.670 ( 3.702 -2.275 3.289) 5.450 20.807 ( 3.984 -1.234 3.551) 5.477 21.167 ( -8.192 6.707 5.461) 11.912 21.879 ( 3.810 -3.509 -16.752) 17.534 29.130 ( 2.895 1.845 8.295) 8.978 29.553 ( 11.620 -2.875 -7.709) 14.238 32.540 ( -8.849 14.047 -0.045) 16.602 32.628 ( -10.174 15.756 -2.284) 18.894 32.807 ( 0.401 3.760 5.879) 6.991 33.069 ( 4.023 -2.885 -5.243) 7.211 33.411 ( -4.501 -10.338 3.063) 11.684 33.551 ( -4.996 -9.960 -2.518) 11.424 33.820 ( 1.673 -0.197 3.546) 3.926 34.042 ( 3.087 -0.812 -5.820) 6.638 35.004 ( -0.333 2.699 9.371) 9.758 35.384 ( 3.166 -3.588 -5.816) 7.532 37.406 ( 1.508 -1.730 3.732) 4.382 37.584 ( 1.882 -2.387 -3.016) 4.281 ======================= Grid point 190 (48/78) ======================= q-point: (-0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 18.008 1.159 39.693) 43.602 3.682 ( -29.758 -4.677 -9.551) 31.601 4.260 ( -24.941 9.904 -0.731) 26.846 4.543 ( -21.611 -2.407 -2.279) 21.864 5.122 ( -26.541 2.593 -3.130) 26.850 5.747 ( -31.047 22.036 -18.582) 42.365 5.922 ( -28.463 14.675 -2.673) 32.135 6.219 ( -26.515 10.790 0.673) 28.634 6.508 ( -27.333 -3.733 -3.076) 27.758 6.855 ( -14.432 -24.313 -2.643) 28.397 7.197 ( -25.486 -13.194 -2.195) 28.783 7.340 ( -14.497 4.836 28.716) 32.529 7.696 ( -17.463 -19.224 1.981) 26.047 8.039 ( -16.873 -12.171 18.136) 27.599 9.209 ( 2.189 0.770 -18.448) 18.594 9.404 ( 3.312 -1.608 -24.315) 24.593 9.715 ( 11.904 -2.978 12.381) 17.432 10.179 ( 17.726 1.467 9.726) 20.272 10.506 ( 3.031 -9.373 -9.191) 13.473 10.737 ( 8.192 7.612 -11.077) 15.740 10.968 ( 1.989 0.025 1.516) 2.501 11.205 ( 6.113 9.091 -2.335) 11.201 11.662 ( 11.702 -2.025 0.571) 11.890 11.938 ( 1.576 -2.785 6.506) 7.251 12.181 ( 14.786 2.447 5.109) 15.834 12.511 ( -0.794 -0.368 13.198) 13.227 12.823 ( 4.001 8.105 -6.792) 11.307 13.077 ( 1.579 7.168 -0.645) 7.368 13.777 ( 1.691 0.821 -6.473) 6.741 13.947 ( -0.724 -0.321 -6.983) 7.028 14.154 ( 2.596 -13.407 6.183) 14.990 14.284 ( 7.587 20.680 1.991) 22.118 14.687 ( 12.924 -0.784 6.917) 14.680 14.904 ( 17.688 42.805 -4.238) 46.509 15.440 ( 12.863 -42.174 8.276) 44.862 15.869 ( 15.642 -14.710 -6.228) 22.358 18.013 ( -6.681 -6.268 6.082) 10.996 18.353 ( -2.527 -6.840 -6.823) 9.987 19.219 ( 0.544 19.479 -4.499) 19.999 19.265 ( -0.498 17.341 -6.453) 18.509 19.703 ( -5.186 -10.950 9.643) 15.485 19.886 ( -5.122 -7.476 2.417) 9.379 20.665 ( -2.694 -1.823 2.560) 4.139 20.824 ( -1.252 -0.288 3.688) 3.905 21.065 ( -7.581 1.549 7.835) 11.012 21.897 ( 0.826 -2.288 -18.819) 18.976 29.244 ( 8.396 1.443 11.762) 14.523 29.811 ( 19.556 -0.273 -9.922) 21.931 32.501 ( -9.873 10.244 0.293) 14.230 32.572 ( -11.621 10.475 -1.701) 15.738 32.900 ( 6.701 1.654 4.124) 8.040 33.095 ( 1.409 -5.610 -4.008) 7.037 33.219 ( -4.331 -8.313 3.613) 10.046 33.396 ( -1.985 -5.166 -3.799) 6.713 33.808 ( -3.351 0.598 4.414) 5.574 34.035 ( -3.075 -0.461 -4.913) 5.814 35.035 ( 1.385 1.646 8.506) 8.774 35.386 ( -0.226 -2.177 -5.291) 5.725 37.428 ( 2.550 -0.569 3.363) 4.258 37.597 ( 1.570 -1.054 -3.050) 3.589 ======================= Grid point 198 (49/78) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -8.759 -11.503 61.830) 63.498 4.156 ( 13.419 19.203 -18.543) 29.878 4.662 ( 9.122 7.465 -11.460) 16.440 4.799 ( 3.122 18.038 -15.334) 23.880 5.615 ( 13.816 18.906 8.780) 25.008 6.251 ( 7.529 1.740 -5.079) 9.247 6.617 ( -1.821 43.594 1.233) 43.650 6.737 ( 13.131 25.647 -0.348) 28.815 6.936 ( 8.976 26.383 -13.562) 30.993 7.077 ( 29.959 10.267 -4.347) 31.967 7.571 ( 15.304 13.442 -1.353) 20.414 7.644 ( 3.837 22.131 3.671) 22.759 7.957 ( 19.429 15.002 22.692) 33.428 8.189 ( 0.196 15.062 24.252) 28.550 8.957 ( -9.082 -22.943 -13.892) 28.317 9.281 ( -8.536 -20.049 1.371) 21.833 9.535 ( -1.264 -0.153 -5.943) 6.077 9.831 ( -9.301 -20.781 8.862) 24.431 10.316 ( -12.163 -1.749 -13.940) 18.583 10.529 ( -10.247 -20.876 -3.351) 23.496 10.691 ( -8.771 -23.210 -6.382) 25.620 11.066 ( -8.338 -17.587 -15.431) 24.839 11.615 ( 8.291 6.846 12.984) 16.858 11.933 ( -4.573 2.737 21.423) 22.076 12.170 ( 4.799 12.588 -7.584) 15.460 12.514 ( -0.687 0.365 8.985) 9.018 12.915 ( 7.248 5.689 -7.421) 11.831 13.168 ( 5.326 4.770 -2.917) 7.722 13.730 ( -4.499 -6.440 -8.463) 11.547 13.875 ( -19.168 6.416 2.817) 20.409 13.959 ( -2.095 0.459 -3.283) 3.921 14.279 ( -4.606 -3.802 -7.953) 9.946 14.575 ( 6.084 -10.073 10.265) 15.616 14.828 ( -13.545 -0.452 5.317) 14.558 15.151 ( 16.668 -23.365 5.253) 29.178 15.493 ( -8.176 -16.522 -2.903) 18.661 17.996 ( -3.868 0.780 5.323) 6.626 18.299 ( -3.913 -0.273 -6.255) 7.383 19.261 ( -7.704 9.412 -3.990) 12.800 19.378 ( 2.445 2.608 -9.883) 10.510 19.832 ( 7.010 5.626 9.874) 13.353 20.040 ( 15.310 0.852 4.221) 15.905 20.628 ( -3.939 -3.166 5.270) 7.302 20.759 ( -5.112 -3.585 6.265) 8.845 21.239 ( 4.676 9.373 1.737) 10.618 21.837 ( -2.111 -3.883 -15.881) 16.485 29.153 ( -1.366 -2.561 7.434) 7.980 29.517 ( -6.824 -11.483 -6.335) 14.784 32.703 ( 1.899 5.049 -1.111) 5.507 32.826 ( 1.537 10.259 -3.947) 11.099 32.893 ( 4.459 1.861 5.199) 7.098 33.042 ( 1.747 -0.774 -2.300) 2.991 33.255 ( 2.671 4.287 3.456) 6.121 33.432 ( 4.576 1.810 -3.834) 6.238 33.813 ( -1.933 -1.841 3.666) 4.535 34.011 ( -4.120 -2.150 -4.198) 6.263 35.038 ( 0.368 0.711 7.403) 7.447 35.336 ( -2.166 -3.292 -4.305) 5.837 37.388 ( -0.788 -1.591 3.426) 3.859 37.559 ( -0.899 -1.939 -3.081) 3.750 ======================= Grid point 199 (50/78) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -2.216 -5.137 79.701) 79.898 4.475 ( 4.165 11.025 -9.410) 15.081 4.722 ( -2.418 0.595 -18.903) 19.066 5.086 ( 4.925 14.985 -46.824) 49.410 5.866 ( -6.678 14.261 19.162) 24.802 6.226 ( -0.457 -1.169 11.853) 11.919 6.896 ( -10.002 40.177 -1.117) 41.418 7.050 ( -17.458 40.320 -8.823) 44.815 7.358 ( -8.110 34.389 -8.266) 36.287 7.598 ( 11.047 23.075 -9.256) 27.206 7.929 ( 12.427 -3.166 4.372) 13.548 8.019 ( 16.142 4.608 2.645) 16.994 8.387 ( 8.270 1.385 22.602) 24.107 8.544 ( 23.838 -16.153 6.059) 29.426 8.734 ( 22.569 -1.710 11.948) 25.593 8.841 ( -8.241 -24.419 2.941) 25.939 9.339 ( -9.753 -22.287 -1.029) 24.349 9.507 ( -1.576 -17.119 8.637) 19.239 9.823 ( -18.061 -34.201 1.506) 38.706 10.227 ( -9.659 3.739 -13.070) 16.676 10.498 ( 8.856 -9.006 -20.780) 24.317 10.763 ( -4.688 -17.291 -18.529) 25.773 11.786 ( -9.576 14.783 20.143) 26.758 11.976 ( 11.369 2.921 18.791) 22.156 12.364 ( -2.193 7.034 0.445) 7.382 12.531 ( 1.855 7.255 -0.810) 7.532 13.158 ( 6.890 12.967 -13.673) 20.064 13.267 ( -7.628 4.384 -13.010) 15.706 13.500 ( -9.447 0.560 4.013) 10.279 13.654 ( -11.217 12.173 2.896) 16.804 13.928 ( -0.765 -0.174 -1.852) 2.012 14.198 ( -0.468 -1.766 -10.097) 10.261 14.543 ( -4.160 -1.141 6.739) 8.001 14.710 ( -4.326 2.452 3.846) 6.286 15.187 ( 16.337 -28.123 4.410) 32.821 15.286 ( 8.654 -25.972 4.010) 27.668 17.943 ( 0.862 -3.940 5.269) 6.636 18.240 ( 0.587 -3.974 -6.088) 7.294 19.248 ( -8.243 16.618 -1.984) 18.656 19.421 ( -5.123 11.390 -11.651) 17.080 19.988 ( 3.735 3.515 11.548) 12.636 20.320 ( 12.543 -1.077 -2.663) 12.868 20.490 ( -3.711 -7.208 8.604) 11.822 20.611 ( -2.357 -8.305 7.137) 11.201 21.388 ( -0.882 11.408 -0.909) 11.479 21.760 ( 0.570 -6.953 -12.259) 14.105 29.135 ( -0.915 1.882 4.543) 5.002 29.347 ( -0.603 -8.398 -3.406) 9.082 32.733 ( -2.445 4.493 -1.346) 5.289 32.845 ( -2.213 3.240 -4.638) 6.075 32.983 ( -5.009 13.260 4.796) 14.964 33.111 ( -4.094 11.646 -1.242) 12.406 33.385 ( 8.919 -3.306 3.366) 10.090 33.579 ( 10.687 -4.708 -4.544) 12.531 33.729 ( -2.013 -4.937 2.846) 6.043 33.878 ( -3.731 -5.905 -2.906) 7.565 35.058 ( -1.150 3.726 5.680) 6.890 35.270 ( 0.863 -5.888 -2.682) 6.527 37.367 ( 0.322 -1.596 3.238) 3.624 37.532 ( 0.400 -2.258 -2.997) 3.774 ======================= Grid point 200 (51/78) ======================= q-point: (-0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 6.792 -1.352 79.418) 79.719 4.464 ( -12.951 2.526 -10.883) 17.104 4.709 ( -1.161 3.528 -17.833) 18.216 5.114 ( -12.065 1.107 -43.658) 45.308 5.816 ( -12.042 13.817 13.779) 22.930 6.245 ( 0.501 1.339 7.114) 7.256 7.003 ( -19.924 25.899 -6.779) 33.371 7.089 ( -23.246 41.236 -3.701) 47.481 7.320 ( -28.609 23.497 4.856) 37.339 7.561 ( -27.375 -8.550 -2.396) 28.779 7.869 ( -5.423 -12.449 5.775) 14.756 8.106 ( -17.372 -6.967 -0.015) 18.717 8.398 ( 6.287 -7.989 9.384) 13.835 8.475 ( -18.641 -21.271 6.367) 28.991 8.587 ( 13.933 -15.575 -3.530) 21.193 8.922 ( 10.434 -7.987 15.186) 20.081 9.378 ( 17.275 -10.179 7.118) 21.277 9.480 ( 22.495 -3.033 7.120) 23.789 9.835 ( 36.272 -2.133 0.868) 36.346 10.242 ( 8.931 8.354 -14.739) 19.152 10.531 ( -2.083 -14.240 -17.406) 22.585 10.724 ( 18.023 -1.512 -20.061) 27.010 11.728 ( -11.830 13.454 18.924) 26.060 12.064 ( -2.691 -8.073 18.328) 20.207 12.369 ( -1.913 4.774 4.174) 6.624 12.538 ( -8.289 2.243 -4.148) 9.536 13.070 ( -13.946 6.081 -11.144) 18.859 13.241 ( -8.415 8.591 -8.887) 14.953 13.536 ( 8.868 6.212 -1.469) 10.926 13.837 ( 6.523 11.696 -5.359) 14.425 13.947 ( 3.901 0.329 3.978) 5.581 14.174 ( 2.197 -6.088 -2.401) 6.903 14.505 ( -2.938 9.210 1.579) 9.795 14.660 ( -1.647 5.118 -0.141) 5.379 15.136 ( 7.194 -27.097 8.180) 29.205 15.270 ( 17.383 -17.740 3.231) 25.046 17.961 ( 5.214 -4.044 5.219) 8.413 18.254 ( 4.930 -3.533 -5.990) 8.525 19.300 ( -5.307 15.561 -3.153) 16.741 19.422 ( -6.276 7.172 -10.767) 14.379 19.977 ( -7.446 1.927 10.590) 13.089 20.207 ( -11.205 -6.806 2.402) 13.328 20.529 ( 7.910 -3.533 6.008) 10.542 20.643 ( 10.598 -3.862 6.034) 12.792 21.392 ( -9.039 6.251 -1.030) 11.038 21.759 ( 5.640 -3.927 -12.215) 14.016 29.134 ( -1.245 1.772 4.581) 5.067 29.348 ( 7.689 -3.739 -3.461) 9.224 32.727 ( -2.544 4.106 -0.536) 4.860 32.870 ( 0.392 3.041 -5.185) 6.024 32.981 ( -8.940 10.428 3.994) 14.304 33.100 ( -10.131 10.816 -1.357) 14.882 33.379 ( -2.028 -8.887 3.443) 9.744 33.540 ( -3.724 -9.299 -2.978) 10.451 33.736 ( 5.868 -1.249 2.928) 6.676 33.909 ( 9.013 -2.087 -4.049) 10.098 35.058 ( -2.615 2.823 5.777) 6.941 35.272 ( 4.837 -3.775 -2.694) 6.701 37.367 ( 1.142 -1.033 3.235) 3.583 37.531 ( 1.626 -1.402 -2.985) 3.677 ======================= Grid point 211 (52/78) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -0.000 -0.000 88.048) 88.048 4.659 ( -2.916 -5.832 -11.863) 13.537 4.659 ( 2.916 5.832 -11.863) 13.537 5.246 ( -0.000 -0.000 -66.512) 66.512 6.101 ( -4.627 -9.254 18.140) 20.884 6.101 ( 4.627 9.254 18.140) 20.884 7.452 ( -0.000 -0.000 12.901) 12.901 7.711 ( -2.232 -4.464 -13.325) 14.229 7.711 ( 2.232 4.464 -13.325) 14.229 7.843 ( 0.000 -0.000 -8.014) 8.014 7.969 ( -2.137 -4.274 -1.700) 5.071 7.969 ( 2.137 4.273 -1.700) 5.071 8.305 ( -2.618 -5.237 -1.939) 6.168 8.305 ( 2.618 5.237 -1.939) 6.168 8.610 ( -0.000 -0.000 27.913) 27.913 8.978 ( 0.000 0.000 0.994) 0.994 9.006 ( -10.208 -20.415 20.089) 30.406 9.006 ( 10.207 20.415 20.089) 30.406 9.404 ( 0.000 -0.000 10.185) 10.185 10.396 ( -4.547 -9.094 -19.300) 21.814 10.396 ( 4.547 9.094 -19.300) 21.814 10.493 ( -0.000 -0.000 -24.312) 24.312 12.006 ( -2.155 -4.310 20.716) 21.269 12.006 ( 2.155 4.310 20.716) 21.269 12.307 ( -0.000 0.000 9.302) 9.302 12.716 ( -0.000 -0.000 -7.967) 7.967 13.288 ( -1.597 -3.193 -20.266) 20.578 13.288 ( 1.596 3.193 -20.266) 20.578 13.520 ( 0.000 -0.000 7.854) 7.854 13.834 ( -0.000 -0.000 -4.802) 4.802 14.006 ( -4.928 -9.856 1.854) 11.175 14.006 ( 4.928 9.856 1.854) 11.175 14.662 ( -3.568 -7.137 -1.402) 8.102 14.662 ( 3.568 7.137 -1.402) 8.102 14.947 ( -2.583 -5.165 9.275) 10.926 14.947 ( 2.583 5.165 9.275) 10.926 17.890 ( -0.000 -0.000 5.313) 5.313 18.187 ( -0.000 -0.000 -6.070) 6.070 19.471 ( -1.920 -3.840 -6.425) 7.727 19.471 ( 1.920 3.840 -6.425) 7.727 20.102 ( -0.000 -0.000 5.151) 5.151 20.341 ( -0.000 0.000 -4.037) 4.037 20.425 ( -2.780 -5.560 11.294) 12.892 20.425 ( 2.780 5.560 11.294) 12.892 21.597 ( -4.078 -8.155 -6.479) 11.185 21.597 ( 4.078 8.155 -6.479) 11.185 29.208 ( -2.355 -4.711 0.700) 5.313 29.208 ( 2.355 4.711 0.700) 5.313 32.807 ( -1.710 -3.420 -2.489) 4.563 32.807 ( 1.710 3.420 -2.489) 4.563 33.250 ( -4.729 -9.458 3.560) 11.157 33.250 ( 4.729 9.458 3.560) 11.157 33.412 ( -5.664 -11.327 -2.918) 12.996 33.412 ( 5.664 11.327 -2.918) 12.996 33.660 ( -0.000 -0.000 2.453) 2.453 33.791 ( 0.000 0.000 -2.527) 2.527 35.152 ( -2.442 -4.884 1.421) 5.642 35.152 ( 2.442 4.884 1.421) 5.642 37.350 ( -0.000 -0.000 2.994) 2.994 37.508 ( -0.000 -0.000 -2.964) 2.964 ======================= Grid point 314 (53/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 0.000 -35.587) 35.587 1.615 ( 0.000 0.000 -35.587) 35.587 1.615 ( 0.000 -0.000 35.587) 35.587 1.615 ( -0.000 0.000 35.587) 35.587 4.138 ( -0.000 0.000 -25.903) 25.903 4.138 ( 0.000 0.000 -25.903) 25.903 4.138 ( -0.000 0.000 25.903) 25.903 4.138 ( 0.000 -0.000 25.903) 25.903 4.412 ( 0.000 -0.000 -100.353) 100.353 4.412 ( 0.000 -0.000 100.353) 100.353 6.514 ( 0.000 0.000 -6.535) 6.535 6.514 ( 0.000 -0.000 -6.535) 6.535 6.514 ( -0.000 -0.000 6.535) 6.535 6.514 ( 0.000 -0.000 6.535) 6.535 9.170 ( 0.000 0.000 -7.329) 7.329 9.170 ( 0.000 -0.000 7.329) 7.329 10.371 ( 0.000 -0.000 -0.034) 0.034 10.371 ( -0.000 0.000 0.034) 0.034 10.617 ( 0.000 0.000 -22.942) 22.942 10.617 ( -0.000 0.000 -22.942) 22.942 10.617 ( -0.000 0.000 22.942) 22.942 10.617 ( -0.000 0.000 22.942) 22.942 12.478 ( 0.000 0.000 -52.696) 52.696 12.478 ( -0.000 0.000 52.696) 52.696 13.438 ( 0.000 -0.000 -14.790) 14.790 13.438 ( 0.000 0.000 -14.790) 14.790 13.438 ( 0.000 0.000 14.790) 14.790 13.438 ( 0.000 -0.000 14.790) 14.790 13.996 ( 0.000 0.000 -0.420) 0.420 13.996 ( 0.000 -0.000 -0.420) 0.420 13.996 ( 0.000 -0.000 0.420) 0.420 13.996 ( 0.000 0.000 0.420) 0.420 16.035 ( 0.000 0.000 -21.078) 21.078 16.035 ( -0.000 0.000 21.078) 21.078 17.520 ( -0.000 -0.000 -3.176) 3.176 17.520 ( -0.000 0.000 -3.176) 3.176 17.520 ( 0.000 -0.000 3.176) 3.176 17.520 ( 0.000 0.000 3.176) 3.176 19.720 ( 0.000 -0.000 -0.097) 0.097 19.720 ( 0.000 0.000 0.097) 0.097 19.838 ( 0.000 0.000 -1.920) 1.920 19.838 ( 0.000 -0.000 -1.920) 1.920 19.838 ( 0.000 -0.000 1.920) 1.920 19.838 ( 0.000 -0.000 1.920) 1.920 21.076 ( -0.000 -0.000 -2.766) 2.766 21.076 ( 0.000 0.000 2.766) 2.766 32.110 ( -0.000 -0.000 -1.369) 1.369 32.110 ( 0.000 0.000 -1.369) 1.369 32.110 ( 0.000 0.000 1.369) 1.369 32.110 ( -0.000 0.000 1.369) 1.369 33.343 ( 0.000 0.000 -4.271) 4.271 33.343 ( 0.000 0.000 4.271) 4.271 33.376 ( 0.000 0.000 -1.309) 1.309 33.376 ( 0.000 0.000 -1.309) 1.309 33.376 ( 0.000 -0.000 1.309) 1.309 33.376 ( 0.000 -0.000 1.309) 1.309 34.189 ( 0.000 0.000 -5.571) 5.571 34.189 ( -0.000 0.000 5.571) 5.571 37.906 ( 0.000 0.000 -1.147) 1.147 37.906 ( 0.000 0.000 1.147) 1.147 ======================= Grid point 316 (54/78) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 23.542 13.073 -31.155) 41.179 1.918 ( 23.542 13.073 31.155) 41.179 2.162 ( 36.843 21.718 -25.008) 49.543 2.162 ( 36.843 21.718 25.008) 49.543 4.204 ( 5.677 2.816 -17.829) 18.922 4.204 ( 5.677 2.816 17.829) 18.922 4.304 ( 11.326 7.565 -2.219) 13.800 4.304 ( 11.326 7.565 2.219) 13.800 4.456 ( 7.844 3.978 -32.234) 33.413 4.456 ( 7.844 3.978 32.234) 33.413 6.542 ( 2.477 1.341 -6.858) 7.413 6.542 ( 2.477 1.341 6.858) 7.413 6.702 ( 15.107 8.812 -13.183) 21.901 6.702 ( 15.107 8.812 13.183) 21.901 9.163 ( -0.604 -0.349 -8.722) 8.750 9.163 ( -0.604 -0.349 8.722) 8.750 10.344 ( -0.994 -0.642 -1.102) 1.617 10.344 ( -0.994 -0.642 1.102) 1.617 10.573 ( -3.641 -1.841 -23.517) 23.868 10.573 ( -3.641 -1.841 23.517) 23.868 10.699 ( 5.331 2.877 -22.181) 22.993 10.699 ( 5.331 2.877 22.181) 22.993 12.490 ( 0.721 0.433 -45.566) 45.574 12.490 ( 0.721 0.433 45.566) 45.574 13.349 ( -6.814 -5.133 -14.365) 16.707 13.349 ( -6.814 -5.133 14.365) 16.707 13.431 ( -0.591 1.149 -14.142) 14.201 13.431 ( -0.591 1.149 14.142) 14.201 13.922 ( -6.504 -3.983 -0.871) 7.676 13.922 ( -6.504 -3.983 0.871) 7.676 14.164 ( 10.831 6.113 -2.967) 12.786 14.164 ( 10.831 6.113 2.967) 12.786 16.074 ( 1.903 0.760 -16.710) 16.835 16.074 ( 1.903 0.760 16.710) 16.835 17.136 ( -28.672 -14.104 -6.066) 32.524 17.136 ( -28.672 -14.104 6.066) 32.524 17.506 ( 0.172 -2.050 -3.112) 3.730 17.506 ( 0.172 -2.050 3.112) 3.730 19.439 ( -9.332 -6.079 -13.013) 17.128 19.439 ( -9.332 -6.079 13.013) 17.128 19.854 ( 1.133 2.132 -1.442) 2.812 19.854 ( 1.133 2.132 1.442) 2.812 20.232 ( 15.658 8.348 -11.236) 21.003 20.232 ( 15.658 8.348 11.236) 21.003 20.993 ( -3.220 -1.850 -4.338) 5.710 20.993 ( -3.220 -1.850 4.338) 5.710 31.975 ( -47.173 -27.349 -19.087) 57.772 31.975 ( -47.173 -27.349 19.087) 57.772 32.115 ( -0.715 -0.401 -1.704) 1.891 32.115 ( -0.715 -0.401 1.704) 1.891 32.328 ( 6.757 4.049 -2.441) 8.247 32.328 ( 6.757 4.049 2.441) 8.247 33.384 ( 0.545 0.275 -0.970) 1.146 33.384 ( 0.545 0.275 0.970) 1.146 34.034 ( -2.973 -1.747 -2.531) 4.278 34.034 ( -2.973 -1.747 2.531) 4.278 34.462 ( 29.039 16.788 -13.865) 36.295 34.462 ( 29.039 16.788 13.865) 36.295 37.809 ( -6.671 -3.850 -1.312) 7.814 37.809 ( -6.671 -3.850 1.312) 7.814 ======================= Grid point 318 (55/78) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 30.614 14.962 -25.224) 42.395 2.568 ( 30.614 14.962 25.224) 42.395 2.912 ( 20.782 13.294 -15.149) 28.950 2.912 ( 20.782 13.294 15.149) 28.950 4.399 ( 8.296 8.655 -52.056) 53.419 4.399 ( 8.296 8.655 52.056) 53.419 4.679 ( 26.322 13.824 -21.653) 36.781 4.679 ( 26.322 13.824 21.653) 36.781 4.883 ( 26.161 13.642 -22.377) 37.031 4.883 ( 26.161 13.642 22.377) 37.031 6.635 ( 6.292 2.764 -8.213) 10.709 6.635 ( 6.292 2.764 8.213) 10.709 7.163 ( 22.494 13.834 -20.822) 33.629 7.163 ( 22.494 13.834 20.822) 33.629 9.140 ( -1.444 -0.862 -12.713) 12.823 9.140 ( -1.444 -0.862 12.713) 12.823 10.329 ( -0.584 -2.638 -1.469) 3.075 10.329 ( -0.584 -2.638 1.469) 3.075 10.489 ( -3.377 1.811 -18.478) 18.871 10.489 ( -3.377 1.811 18.478) 18.871 10.821 ( 5.741 1.676 -19.345) 20.248 10.821 ( 5.741 1.676 19.345) 20.248 12.490 ( -1.555 -0.332 -30.604) 30.646 12.490 ( -1.555 -0.332 30.604) 30.646 13.110 ( -10.526 -10.997 -13.469) 20.326 13.110 ( -10.526 -10.997 13.469) 20.326 13.434 ( -7.562 8.759 -14.588) 18.620 13.434 ( -7.562 8.759 14.588) 18.620 13.692 ( -7.598 -12.516 -1.349) 14.704 13.692 ( -7.598 -12.516 1.349) 14.704 14.346 ( 3.826 0.209 -3.508) 5.195 14.346 ( 3.826 0.209 3.508) 5.195 15.853 ( -23.002 -18.632 -11.145) 31.630 15.853 ( -23.002 -18.632 11.145) 31.630 16.697 ( -10.328 13.707 -12.601) 21.291 16.697 ( -10.328 13.707 12.601) 21.291 17.510 ( 7.678 -9.942 -6.305) 14.055 17.510 ( 7.678 -9.942 6.305) 14.055 19.219 ( -9.426 -7.942 -10.175) 15.983 19.219 ( -9.426 -7.942 10.175) 15.983 19.949 ( 3.000 9.826 -2.309) 10.530 19.949 ( 3.000 9.826 2.309) 10.530 20.413 ( 3.701 -1.887 -4.810) 6.355 20.413 ( 3.701 -1.887 4.810) 6.355 21.085 ( 9.923 5.698 -17.712) 21.087 21.085 ( 9.923 5.698 17.712) 21.087 30.900 ( -38.748 -22.491 -29.065) 53.404 30.900 ( -38.748 -22.491 29.065) 53.404 32.119 ( 0.475 0.213 -1.339) 1.437 32.119 ( 0.475 0.213 1.339) 1.437 32.705 ( 19.001 11.651 -2.113) 22.389 32.705 ( 19.001 11.651 2.113) 22.389 33.388 ( -0.580 -0.648 -0.232) 0.900 33.388 ( -0.580 -0.648 0.232) 0.900 33.870 ( -7.997 -4.869 -1.826) 9.539 33.870 ( -7.997 -4.869 1.826) 9.539 34.972 ( 14.249 8.272 -7.287) 18.015 34.972 ( 14.249 8.272 7.287) 18.015 37.665 ( -4.856 -2.771 -0.900) 5.663 37.665 ( -4.856 -2.771 0.900) 5.663 ======================= Grid point 320 (56/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 11.088 0.825 -17.823) 21.007 3.080 ( 11.088 0.825 17.823) 21.007 3.339 ( 23.113 14.764 -15.287) 31.398 3.339 ( 23.113 14.764 15.287) 31.398 4.614 ( 5.559 9.234 -15.654) 19.006 4.614 ( 5.559 9.234 15.654) 19.006 5.343 ( 22.901 14.548 -9.828) 28.857 5.343 ( 22.901 14.548 9.828) 28.857 5.638 ( 39.304 18.619 -11.181) 44.906 5.638 ( 39.304 18.619 11.181) 44.906 6.881 ( 18.657 8.369 -11.170) 23.300 6.881 ( 18.657 8.369 11.170) 23.300 7.722 ( 22.563 16.066 -19.294) 33.756 7.722 ( 22.563 16.066 19.294) 33.756 9.092 ( -2.443 -1.749 -15.746) 16.030 9.092 ( -2.443 -1.749 15.746) 16.030 10.239 ( -2.784 -6.204 -8.716) 11.055 10.239 ( -2.784 -6.204 8.716) 11.055 10.539 ( 0.957 8.995 -5.944) 10.824 10.539 ( 0.957 8.995 5.944) 10.824 10.927 ( 5.725 -1.646 -14.068) 15.277 10.927 ( 5.725 -1.646 14.068) 15.277 12.401 ( -9.087 -0.508 -18.100) 20.259 12.401 ( -9.087 -0.508 18.100) 20.259 12.778 ( -10.725 -16.333 -11.632) 22.739 12.778 ( -10.725 -16.333 11.632) 22.739 13.139 ( -27.274 1.467 -9.573) 28.942 13.139 ( -27.274 1.467 9.573) 28.942 13.620 ( 7.973 -7.222 -7.642) 13.196 13.620 ( 7.973 -7.222 7.642) 13.196 14.271 ( -6.899 -9.900 -6.358) 13.640 14.271 ( -6.899 -9.900 6.358) 13.640 15.213 ( -23.534 -12.875 -12.061) 29.412 15.213 ( -23.534 -12.875 12.061) 29.412 16.828 ( -6.774 31.343 -8.134) 33.082 16.828 ( -6.774 31.343 8.134) 33.082 17.571 ( 18.032 -23.662 -10.838) 31.662 17.571 ( 18.032 -23.662 10.838) 31.662 18.954 ( -10.939 -7.076 -1.691) 13.138 18.954 ( -10.939 -7.076 1.691) 13.138 20.132 ( 1.878 15.979 -2.808) 16.332 20.132 ( 1.878 15.979 2.808) 16.332 20.448 ( 5.883 -5.596 -1.501) 8.257 20.448 ( 5.883 -5.596 1.501) 8.257 21.320 ( 8.706 4.594 -24.462) 26.368 21.320 ( 8.706 4.594 24.462) 26.368 30.157 ( -25.218 -14.683 -24.751) 38.264 30.157 ( -25.218 -14.683 24.751) 38.264 32.135 ( 1.008 0.389 -1.345) 1.725 32.135 ( 1.008 0.389 1.345) 1.725 33.137 ( 12.864 10.385 -2.658) 16.745 33.137 ( 12.864 10.385 2.658) 16.745 33.338 ( -0.704 -1.759 -2.022) 2.771 33.338 ( -0.704 -1.759 2.022) 2.771 33.727 ( -2.675 -2.898 -5.873) 7.074 33.727 ( -2.675 -2.898 5.873) 7.074 35.183 ( 4.810 2.763 -4.914) 7.411 35.183 ( 4.810 2.763 4.914) 7.411 37.589 ( -1.853 -0.952 -2.609) 3.338 37.589 ( -1.853 -0.952 2.609) 3.338 ======================= Grid point 322 (57/78) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 6.593 0.106 -34.712) 35.333 3.209 ( 6.593 0.106 34.712) 35.333 3.874 ( 20.168 10.224 -11.429) 25.336 3.874 ( 20.168 10.224 11.429) 25.336 4.780 ( 3.434 7.982 -8.112) 11.887 4.780 ( 3.434 7.982 8.112) 11.887 5.700 ( 5.409 6.748 -11.692) 14.543 5.700 ( 5.409 6.748 11.692) 14.543 6.431 ( 33.167 9.887 -23.224) 41.679 6.431 ( 33.167 9.887 23.224) 41.679 7.535 ( 35.731 20.672 -11.225) 42.780 7.535 ( 35.731 20.672 11.225) 42.780 8.238 ( 16.368 15.834 -18.288) 29.208 8.238 ( 16.368 15.834 18.288) 29.208 9.040 ( -0.564 -1.008 -10.719) 10.781 9.040 ( -0.564 -1.008 10.719) 10.781 10.140 ( -1.411 -6.271 -8.502) 10.658 10.140 ( -1.411 -6.271 8.502) 10.658 10.638 ( -2.248 8.793 -7.744) 11.930 10.638 ( -2.248 8.793 7.744) 11.930 10.956 ( 2.070 -7.302 -8.189) 11.165 10.956 ( 2.070 -7.302 8.189) 11.165 12.128 ( -22.065 2.211 -15.040) 26.794 12.128 ( -22.065 2.211 15.040) 26.794 12.430 ( -8.184 -17.536 -11.611) 22.568 12.430 ( -8.184 -17.536 11.611) 22.568 12.743 ( -12.379 -4.502 -2.569) 13.420 12.743 ( -12.379 -4.502 2.569) 13.420 13.678 ( 3.073 -7.083 -9.864) 12.526 13.678 ( 3.073 -7.083 9.864) 12.526 13.964 ( -11.457 -9.292 -4.986) 15.571 13.964 ( -11.457 -9.292 4.986) 15.571 14.834 ( -12.324 -2.415 -12.184) 17.497 14.834 ( -12.324 -2.415 12.184) 17.497 17.032 ( -10.413 38.004 -3.978) 39.605 17.032 ( -10.413 38.004 3.978) 39.605 17.638 ( 22.772 -34.544 -9.543) 42.460 17.638 ( 22.772 -34.544 9.543) 42.460 18.713 ( -10.458 -3.110 -2.804) 11.265 18.713 ( -10.458 -3.110 2.804) 11.265 20.313 ( -0.725 16.679 -1.647) 16.776 20.313 ( -0.725 16.679 1.647) 16.776 20.515 ( 8.785 -6.896 -1.741) 11.303 20.515 ( 8.785 -6.896 1.741) 11.303 21.458 ( 3.511 1.458 -25.949) 26.226 21.458 ( 3.511 1.458 25.949) 26.226 29.689 ( -15.049 -8.771 -19.491) 26.140 29.689 ( -15.049 -8.771 19.491) 26.140 32.161 ( 1.313 0.433 -1.493) 2.035 32.161 ( 1.313 0.433 1.493) 2.035 33.119 ( -7.145 -3.038 -6.506) 10.130 33.119 ( -7.145 -3.038 6.506) 10.130 33.565 ( 8.842 10.402 -2.535) 13.885 33.565 ( 8.842 10.402 2.535) 13.885 33.714 ( 5.024 -3.054 -5.035) 7.740 33.714 ( 5.024 -3.054 5.035) 7.740 35.239 ( 0.695 0.252 -11.050) 11.075 35.239 ( 0.695 0.252 11.050) 11.075 37.569 ( -0.240 0.054 -4.740) 4.747 37.569 ( -0.240 0.054 4.740) 4.747 ======================= Grid point 324 (58/78) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 5.254 1.109 -56.086) 56.342 3.327 ( 5.254 1.109 56.086) 56.342 4.220 ( 10.576 4.140 -5.261) 12.517 4.220 ( 10.576 4.140 5.261) 12.517 4.901 ( 2.374 5.762 -9.437) 11.309 4.901 ( 2.374 5.762 9.437) 11.309 5.741 ( -2.378 0.851 -9.600) 9.927 5.741 ( -2.378 0.851 9.600) 9.927 7.007 ( 22.646 4.319 -20.253) 30.687 7.007 ( 22.646 4.319 20.253) 30.687 8.311 ( 23.034 13.863 -9.755) 28.599 8.311 ( 23.034 13.863 9.755) 28.599 8.613 ( 12.944 14.426 -25.197) 31.789 8.613 ( 12.944 14.426 25.197) 31.789 9.093 ( 3.239 5.567 -21.557) 22.499 9.093 ( 3.239 5.567 21.557) 22.499 10.039 ( -1.530 -9.238 -8.185) 12.437 10.039 ( -1.530 -9.238 8.185) 12.437 10.534 ( -13.594 -1.317 -10.346) 17.133 10.534 ( -13.594 -1.317 10.346) 17.133 10.909 ( 1.633 -5.614 -15.472) 16.540 10.909 ( 1.633 -5.614 15.472) 16.540 11.817 ( -15.109 8.586 -10.428) 20.267 11.817 ( -15.109 8.586 10.428) 20.267 12.149 ( -4.247 -17.234 -9.949) 20.347 12.149 ( -4.247 -17.234 9.949) 20.347 12.615 ( -0.429 -1.088 -3.047) 3.264 12.615 ( -0.429 -1.088 3.047) 3.264 13.467 ( -10.413 -9.772 -1.239) 14.333 13.467 ( -10.413 -9.772 1.239) 14.333 13.875 ( 1.261 0.688 -6.128) 6.294 13.875 ( 1.261 0.688 6.128) 6.294 14.669 ( -5.644 -0.490 -7.742) 9.594 14.669 ( -5.644 -0.490 7.742) 9.594 17.219 ( -9.896 32.595 -4.110) 34.311 17.219 ( -9.896 32.595 4.110) 34.311 17.669 ( 19.455 -32.244 -2.295) 37.729 17.669 ( 19.455 -32.244 2.295) 37.729 18.527 ( -8.354 -0.185 -2.761) 8.800 18.527 ( -8.354 -0.185 2.761) 8.800 20.433 ( -0.888 9.484 -1.547) 9.650 20.433 ( -0.888 9.484 1.547) 9.650 20.603 ( 6.621 -3.426 -4.004) 8.462 20.603 ( 6.621 -3.426 4.004) 8.462 21.489 ( 0.085 -0.305 -25.923) 25.925 21.489 ( 0.085 -0.305 25.923) 25.925 29.434 ( -6.963 -4.054 -16.138) 18.038 29.434 ( -6.963 -4.054 16.138) 18.038 32.186 ( 0.977 0.274 -1.729) 2.005 32.186 ( 0.977 0.274 1.729) 2.005 32.984 ( -4.476 -2.072 -9.528) 10.729 32.984 ( -4.476 -2.072 9.528) 10.729 33.674 ( -0.253 2.954 -4.238) 5.172 33.674 ( -0.253 2.954 4.238) 5.172 33.863 ( 8.036 1.440 -5.081) 9.616 33.863 ( 8.036 1.440 5.081) 9.616 35.237 ( -0.292 -0.360 -13.600) 13.608 35.237 ( -0.292 -0.360 13.600) 13.608 37.572 ( 0.168 0.252 -5.320) 5.329 37.572 ( 0.168 0.252 5.320) 5.329 ======================= Grid point 326 (59/78) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 0.000 0.000 -64.834) 64.834 3.384 ( 0.000 0.000 64.834) 64.834 4.332 ( 0.000 0.000 -3.152) 3.152 4.332 ( 0.000 0.000 3.152) 3.152 4.959 ( 0.000 0.000 -10.179) 10.179 4.959 ( 0.000 0.000 10.179) 10.179 5.712 ( 0.000 0.000 -9.083) 9.083 5.712 ( 0.000 0.000 9.083) 9.083 7.241 ( 0.000 0.000 -10.551) 10.551 7.241 ( 0.000 0.000 10.551) 10.551 8.521 ( 0.000 0.000 -23.595) 23.595 8.521 ( 0.000 0.000 23.595) 23.595 8.928 ( 0.000 0.000 -19.342) 19.342 8.928 ( 0.000 0.000 19.342) 19.342 9.160 ( 0.000 0.000 -3.765) 3.765 9.160 ( 0.000 0.000 3.765) 3.765 9.952 ( -0.000 0.000 -2.402) 2.402 9.952 ( 0.000 0.000 2.402) 2.402 10.347 ( 0.000 0.000 -21.036) 21.036 10.347 ( 0.000 0.000 21.036) 21.036 10.890 ( 0.000 -0.000 -14.080) 14.080 10.890 ( 0.000 -0.000 14.080) 14.080 11.774 ( 0.000 0.000 -4.559) 4.559 11.774 ( 0.000 0.000 4.559) 4.559 11.980 ( 0.000 0.000 -9.259) 9.259 11.980 ( 0.000 0.000 9.259) 9.259 12.627 ( 0.000 0.000 -0.778) 0.778 12.627 ( 0.000 0.000 0.778) 0.778 13.304 ( 0.000 0.000 -0.629) 0.629 13.304 ( 0.000 0.000 0.629) 0.629 13.896 ( 0.000 0.000 -8.161) 8.161 13.896 ( 0.000 0.000 8.161) 8.161 14.617 ( 0.000 0.000 -4.752) 4.752 14.617 ( 0.000 0.000 4.752) 4.752 17.306 ( -0.000 0.000 -6.656) 6.656 17.306 ( 0.000 0.000 6.656) 6.656 17.675 ( 0.000 -0.000 -7.821) 7.821 17.675 ( 0.000 -0.000 7.821) 7.821 18.445 ( 0.000 0.000 -6.395) 6.395 18.445 ( 0.000 0.000 6.395) 6.395 20.473 ( 0.000 0.000 -1.634) 1.634 20.473 ( 0.000 0.000 1.634) 1.634 20.650 ( 0.000 0.000 -4.221) 4.221 20.650 ( 0.000 0.000 4.221) 4.221 21.483 ( 0.000 0.000 -25.879) 25.879 21.483 ( 0.000 0.000 25.879) 25.879 29.353 ( 0.000 0.000 -15.033) 15.033 29.353 ( 0.000 0.000 15.033) 15.033 32.196 ( 0.000 0.000 -1.842) 1.842 32.196 ( 0.000 0.000 1.842) 1.842 32.932 ( 0.000 0.000 -10.491) 10.491 32.932 ( 0.000 0.000 10.491) 10.491 33.685 ( 0.000 0.000 -4.341) 4.341 33.685 ( 0.000 0.000 4.341) 4.341 33.944 ( 0.000 0.000 -5.122) 5.122 33.944 ( 0.000 0.000 5.122) 5.122 35.232 ( 0.000 0.000 -14.128) 14.128 35.232 ( 0.000 0.000 14.128) 14.128 37.575 ( 0.000 0.000 -5.343) 5.343 37.575 ( 0.000 0.000 5.343) 5.343 ======================= Grid point 342 (60/78) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 17.189 33.653 -25.050) 45.337 2.426 ( 17.189 33.653 25.050) 45.337 2.737 ( 17.091 27.068 -17.400) 36.435 2.737 ( 17.091 27.068 17.400) 36.435 4.338 ( 7.350 9.010 -65.214) 66.242 4.338 ( 7.350 9.010 65.214) 66.242 4.533 ( 10.612 18.789 -15.718) 26.696 4.533 ( 10.612 18.789 15.718) 26.696 4.729 ( 11.506 22.405 -31.191) 40.090 4.729 ( 11.506 22.405 31.191) 40.090 6.606 ( 2.407 5.140 -6.919) 8.949 6.606 ( 2.407 5.140 6.919) 8.949 7.015 ( 12.325 20.395 -19.359) 30.702 7.015 ( 12.325 20.395 19.359) 30.702 9.148 ( -0.733 -1.252 -11.528) 11.619 9.148 ( -0.733 -1.252 11.528) 11.619 10.325 ( -1.700 -1.239 -5.117) 5.532 10.325 ( -1.700 -1.239 5.117) 5.532 10.527 ( 0.698 -2.368 -18.528) 18.692 10.527 ( 0.698 -2.368 18.528) 18.692 10.781 ( 1.780 5.117 -20.740) 21.436 10.781 ( 1.780 5.117 20.740) 21.436 12.493 ( -0.223 -0.847 -34.485) 34.496 12.493 ( -0.223 -0.847 34.485) 34.496 13.228 ( -11.998 -7.271 -15.309) 20.765 13.228 ( -11.998 -7.271 15.309) 20.765 13.346 ( 4.706 -9.755 -8.789) 13.949 13.346 ( 4.706 -9.755 8.789) 13.949 13.839 ( -4.497 -3.931 -3.194) 6.773 13.839 ( -4.497 -3.931 3.194) 6.773 14.300 ( 2.080 5.869 -3.846) 7.319 14.300 ( 2.080 5.869 3.846) 7.319 16.076 ( -8.255 -1.538 -14.343) 16.620 16.076 ( -8.255 -1.538 14.343) 16.620 16.584 ( -5.938 -37.125 -9.857) 38.868 16.584 ( -5.938 -37.125 9.857) 38.868 17.543 ( -3.518 8.142 -5.875) 10.638 17.543 ( -3.518 8.142 5.875) 10.638 19.359 ( -4.290 -1.555 -15.472) 16.131 19.359 ( -4.290 -1.555 15.472) 16.131 19.832 ( 4.220 -4.299 -0.388) 6.037 19.832 ( 4.220 -4.299 0.388) 6.037 20.421 ( 1.839 7.447 -6.733) 10.207 20.421 ( 1.839 7.447 6.733) 10.207 21.024 ( 4.100 7.038 -13.614) 15.864 21.024 ( 4.100 7.038 13.614) 15.864 31.145 ( -24.997 -43.111 -28.210) 57.265 31.145 ( -24.997 -43.111 28.210) 57.265 32.195 ( 1.565 2.958 -0.572) 3.395 32.195 ( 1.565 2.958 0.572) 3.395 32.508 ( 9.023 14.699 -2.059) 17.370 32.508 ( 9.023 14.699 2.059) 17.370 33.397 ( 0.130 0.554 -0.117) 0.581 33.397 ( 0.130 0.554 0.117) 0.581 33.929 ( -4.339 -7.251 -0.963) 8.505 33.929 ( -4.339 -7.251 0.963) 8.505 34.869 ( 10.378 17.897 -10.087) 23.017 34.869 ( 10.378 17.897 10.087) 23.017 37.697 ( -3.361 -5.853 -1.474) 6.908 37.697 ( -3.361 -5.853 1.474) 6.908 ======================= Grid point 344 (61/78) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 7.824 15.603 -15.880) 23.597 2.975 ( 7.824 15.603 15.880) 23.597 3.228 ( 16.627 24.919 -19.074) 35.514 3.228 ( 16.627 24.919 19.074) 35.514 4.639 ( 10.261 13.576 -32.585) 36.761 4.639 ( 10.261 13.576 32.585) 36.761 5.082 ( 22.899 24.609 -5.665) 34.089 5.082 ( 22.899 24.609 5.665) 34.089 5.294 ( 25.379 26.891 -18.692) 41.432 5.294 ( 25.379 26.891 18.692) 41.432 6.738 ( 6.420 7.692 -6.102) 11.731 6.738 ( 6.420 7.692 6.102) 11.731 7.503 ( 19.891 18.083 -20.948) 34.080 7.503 ( 19.891 18.083 20.948) 34.080 9.106 ( -1.895 -2.601 -15.595) 15.924 9.106 ( -1.895 -2.601 15.595) 15.924 10.236 ( -4.067 -4.787 -13.284) 14.695 10.236 ( -4.067 -4.787 13.284) 14.695 10.600 ( 4.746 6.353 -5.339) 9.560 10.600 ( 4.746 6.353 5.339) 9.560 10.848 ( 1.190 2.164 -17.950) 18.119 10.848 ( 1.190 2.164 17.950) 18.119 12.445 ( -1.975 -5.823 -20.084) 21.004 12.445 ( -1.975 -5.823 20.084) 21.004 12.863 ( -15.213 -12.920 -13.399) 24.040 12.863 ( -15.213 -12.920 13.399) 24.040 13.337 ( 3.887 -15.391 -4.190) 16.418 13.337 ( 3.887 -15.391 4.190) 16.418 13.660 ( -14.718 7.289 -11.013) 19.774 13.660 ( -14.718 7.289 11.013) 19.774 14.295 ( -4.738 -3.557 -7.585) 9.625 14.295 ( -4.738 -3.557 7.585) 9.625 15.555 ( -29.721 -10.703 -8.639) 32.750 15.555 ( -29.721 -10.703 8.639) 32.750 16.535 ( 27.884 -30.980 -9.898) 42.840 16.535 ( 27.884 -30.980 9.898) 42.840 17.553 ( -9.336 17.424 -6.905) 20.939 17.553 ( -9.336 17.424 6.905) 20.939 19.186 ( -15.152 3.287 -5.978) 16.618 19.186 ( -15.152 3.287 5.978) 16.618 19.975 ( 16.788 -7.292 -2.420) 18.462 19.975 ( 16.788 -7.292 2.420) 18.462 20.477 ( -2.621 8.475 -5.521) 10.449 20.477 ( -2.621 8.475 5.521) 10.449 21.224 ( 7.706 7.196 -22.313) 24.679 21.224 ( 7.706 7.196 22.313) 24.679 30.370 ( -21.927 -26.691 -25.964) 43.213 30.370 ( -21.927 -26.691 25.964) 43.213 32.229 ( -3.704 8.669 -0.910) 9.471 32.229 ( -3.704 8.669 0.910) 9.471 32.881 ( 19.128 6.119 -2.533) 20.242 32.881 ( 19.128 6.119 2.533) 20.242 33.367 ( -3.249 -2.427 -1.227) 4.237 33.367 ( -3.249 -2.427 1.227) 4.237 33.797 ( -4.487 -0.721 -5.020) 6.772 33.797 ( -4.487 -0.721 5.020) 6.772 35.130 ( 5.710 6.269 -1.486) 8.609 35.130 ( 5.710 6.269 1.486) 8.609 37.602 ( -2.028 -3.067 -1.280) 3.893 37.602 ( -2.028 -3.067 1.280) 3.893 ======================= Grid point 346 (62/78) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 4.013 4.117 -21.103) 21.872 3.129 ( 4.013 4.117 21.103) 21.872 3.786 ( 12.628 27.178 -11.822) 32.216 3.786 ( 12.628 27.178 11.822) 32.216 4.924 ( 1.752 21.509 -9.586) 23.613 4.924 ( 1.752 21.509 9.586) 23.613 5.649 ( 15.885 15.760 -4.726) 22.870 5.649 ( 15.885 15.760 4.726) 22.870 6.051 ( 25.316 21.581 -16.364) 37.073 6.051 ( 25.316 21.581 16.364) 37.073 7.104 ( 27.920 12.510 -8.585) 31.776 7.104 ( 27.920 12.510 8.585) 31.776 8.044 ( 21.817 14.278 -12.384) 28.865 8.044 ( 21.817 14.278 12.384) 28.865 9.036 ( -1.811 -3.352 -12.938) 13.487 9.036 ( -1.811 -3.352 12.938) 13.487 10.111 ( -3.917 -6.291 -12.073) 14.166 10.111 ( -3.917 -6.291 12.073) 14.166 10.776 ( 4.322 9.717 -4.147) 11.415 10.776 ( 4.322 9.717 4.147) 11.415 10.844 ( -1.842 -3.255 -12.882) 13.414 10.844 ( -1.842 -3.255 12.882) 13.414 12.267 ( -5.782 -17.918 -7.986) 20.452 12.267 ( -5.782 -17.918 7.986) 20.452 12.518 ( -12.085 -3.878 -8.671) 15.371 12.518 ( -12.085 -3.878 8.671) 15.371 13.025 ( -19.695 -9.772 -3.801) 22.312 13.025 ( -19.695 -9.772 3.801) 22.312 13.620 ( -0.930 6.346 -14.331) 15.700 13.620 ( -0.930 6.346 14.331) 15.700 14.078 ( -11.523 -7.502 -6.323) 15.134 14.078 ( -11.523 -7.502 6.323) 15.134 15.057 ( -17.611 -4.840 -10.986) 21.314 15.057 ( -17.611 -4.840 10.986) 21.314 16.713 ( 30.839 -38.996 -7.787) 50.323 16.713 ( 30.839 -38.996 7.787) 50.323 17.599 ( -9.421 25.396 -7.505) 28.108 17.599 ( -9.421 25.396 7.505) 28.108 18.948 ( -15.507 4.144 -2.499) 16.245 18.948 ( -15.507 4.144 2.499) 16.245 20.199 ( 16.031 -7.654 -3.345) 18.077 20.199 ( 16.031 -7.654 3.345) 18.077 20.529 ( -3.193 12.053 -5.288) 13.544 20.529 ( -3.193 12.053 5.288) 13.544 21.391 ( 5.380 2.265 -25.392) 26.054 21.391 ( 5.380 2.265 25.392) 26.054 29.831 ( -15.010 -16.110 -20.435) 30.040 29.831 ( -15.010 -16.110 20.435) 30.040 32.252 ( -4.488 10.172 -1.155) 11.178 32.252 ( -4.488 10.172 1.155) 11.178 33.166 ( 1.232 -4.824 -1.718) 5.267 33.166 ( 1.232 -4.824 1.718) 5.267 33.330 ( 12.342 -0.816 -5.594) 13.575 33.330 ( 12.342 -0.816 5.594) 13.575 33.769 ( -2.679 6.405 -5.239) 8.698 33.769 ( -2.679 6.405 5.239) 8.698 35.224 ( 1.545 1.082 -8.092) 8.309 35.224 ( 1.545 1.082 8.092) 8.309 37.561 ( -0.111 -1.832 -3.962) 4.366 37.561 ( -0.111 -1.832 3.962) 4.366 ======================= Grid point 348 (63/78) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 5.262 4.966 -46.631) 47.189 3.259 ( 5.262 4.966 46.631) 47.189 4.179 ( 6.277 17.354 -4.178) 18.922 4.179 ( 6.277 17.354 4.178) 18.922 5.133 ( -6.144 26.929 -8.951) 29.035 5.133 ( -6.144 26.929 8.951) 29.035 5.881 ( -4.316 11.608 -5.412) 13.515 5.881 ( -4.316 11.608 5.412) 13.515 6.632 ( 24.901 10.836 -21.533) 34.658 6.632 ( 24.901 10.836 21.533) 34.658 7.892 ( 38.454 12.567 -6.688) 41.005 7.892 ( 38.454 12.567 6.688) 41.005 8.508 ( 15.726 10.214 -22.285) 29.125 8.508 ( 15.726 10.214 22.285) 29.125 9.044 ( 5.875 2.452 -15.455) 16.715 9.044 ( 5.875 2.452 15.455) 16.715 9.936 ( -5.084 -14.713 -10.299) 18.665 9.936 ( -5.084 -14.713 10.299) 18.665 10.698 ( -5.933 -11.181 -8.033) 14.992 10.698 ( -5.933 -11.181 8.033) 14.992 10.880 ( -3.527 5.787 -9.864) 11.968 10.880 ( -3.527 5.787 9.864) 11.968 11.957 ( -5.377 -16.987 -7.432) 19.305 11.957 ( -5.377 -16.987 7.432) 19.305 12.300 ( -15.259 4.291 -16.244) 22.696 12.300 ( -15.259 4.291 16.244) 22.696 12.695 ( -9.262 2.222 -5.123) 10.815 12.695 ( -9.262 2.222 5.123) 10.815 13.580 ( -9.749 -1.654 -7.300) 12.291 13.580 ( -9.749 -1.654 7.300) 12.291 13.882 ( -2.022 -0.801 -2.174) 3.075 13.882 ( -2.022 -0.801 2.174) 3.075 14.790 ( -9.837 -2.341 -7.905) 12.835 14.790 ( -9.837 -2.341 7.905) 12.835 16.795 ( 25.503 -42.686 -4.874) 49.962 16.795 ( 25.503 -42.686 4.874) 49.962 17.752 ( -4.156 28.130 -6.511) 29.171 17.752 ( -4.156 28.130 6.511) 29.171 18.732 ( -13.910 4.142 -3.020) 14.825 18.732 ( -13.910 4.142 3.020) 14.825 20.362 ( 10.642 -7.069 -5.832) 14.044 20.362 ( 10.642 -7.069 5.832) 14.044 20.602 ( -1.825 10.583 -4.063) 11.482 20.602 ( -1.825 10.583 4.063) 11.482 21.462 ( 2.151 -0.712 -25.748) 25.847 21.462 ( 2.151 -0.712 25.748) 25.847 29.503 ( -8.222 -8.948 -16.021) 20.108 29.503 ( -8.222 -8.948 16.021) 20.108 32.277 ( -4.604 10.396 -1.500) 11.468 32.277 ( -4.604 10.396 1.500) 11.468 33.039 ( -5.048 -4.115 -6.825) 9.433 33.039 ( -5.048 -4.115 6.825) 9.433 33.578 ( 12.776 -3.392 -5.953) 14.498 33.578 ( 12.776 -3.392 5.953) 14.498 33.812 ( 0.028 6.591 -3.735) 7.576 33.812 ( 0.028 6.591 3.735) 7.576 35.233 ( -0.031 -0.788 -11.827) 11.854 35.233 ( -0.031 -0.788 11.827) 11.854 37.552 ( 0.953 -1.756 -5.067) 5.447 37.552 ( 0.953 -1.756 5.067) 5.447 ======================= Grid point 350 (64/78) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 2.288 4.313 -63.460) 63.648 3.382 ( 2.288 4.313 63.460) 63.648 4.372 ( 0.605 9.341 -5.482) 10.848 4.372 ( 0.605 9.341 5.482) 10.848 5.238 ( -13.258 25.901 -11.146) 31.159 5.238 ( -13.258 25.901 11.146) 31.159 5.846 ( -9.349 10.435 -5.625) 15.097 5.846 ( -9.349 10.435 5.625) 15.097 7.104 ( 16.441 5.567 -17.199) 24.436 7.104 ( 16.441 5.567 17.199) 24.436 8.414 ( 13.427 -0.646 -19.047) 23.312 8.414 ( 13.427 -0.646 19.047) 23.312 8.881 ( 11.855 9.780 -25.928) 30.140 8.881 ( 11.855 9.780 25.928) 30.140 9.197 ( -2.579 1.198 -15.641) 15.898 9.197 ( -2.579 1.198 15.641) 15.898 9.706 ( 8.976 -19.284 -7.926) 22.699 9.706 ( 8.976 -19.284 7.926) 22.699 10.429 ( -8.962 -11.131 -13.597) 19.725 10.429 ( -8.962 -11.131 13.597) 19.725 10.825 ( 1.119 -4.677 -18.203) 18.828 10.825 ( 1.119 -4.677 18.203) 18.828 11.766 ( -5.585 -6.793 -8.003) 11.891 11.766 ( -5.585 -6.793 8.003) 11.891 12.166 ( -7.056 14.591 -15.503) 22.428 12.166 ( -7.056 14.591 15.503) 22.428 12.678 ( -2.385 7.274 -3.703) 8.503 12.678 ( -2.385 7.274 3.703) 8.503 13.376 ( -7.589 0.223 -1.785) 7.799 13.376 ( -7.589 0.223 1.785) 7.799 13.900 ( 0.663 1.681 -7.580) 7.792 13.900 ( 0.663 1.681 7.580) 7.792 14.644 ( -4.377 -1.835 -4.375) 6.455 14.644 ( -4.377 -1.835 4.375) 6.455 16.748 ( 18.401 -42.280 -2.448) 46.175 16.748 ( 18.401 -42.280 2.448) 46.175 18.007 ( 0.909 26.542 -3.205) 26.750 18.007 ( 0.909 26.542 3.205) 26.750 18.546 ( -12.024 4.605 -2.131) 13.051 18.546 ( -12.024 4.605 2.131) 13.051 20.416 ( 2.885 -6.395 -5.212) 8.740 20.416 ( 2.885 -6.395 5.212) 8.740 20.674 ( 0.616 5.361 -2.225) 5.837 20.674 ( 0.616 5.361 2.225) 5.837 21.472 ( 0.554 -0.903 -24.944) 24.967 21.472 ( 0.554 -0.903 24.944) 24.967 29.350 ( -1.958 -3.917 -13.788) 14.467 29.350 ( -1.958 -3.917 13.788) 14.467 32.298 ( -5.066 10.260 -1.858) 11.593 32.298 ( -5.066 10.260 1.858) 11.593 32.944 ( -2.206 -1.546 -9.090) 9.481 32.944 ( -2.206 -1.546 9.090) 9.481 33.675 ( 1.865 -1.467 -5.248) 5.760 33.675 ( 1.865 -1.467 5.248) 5.760 33.893 ( 4.130 0.058 -4.351) 5.999 33.893 ( 4.130 0.058 4.351) 5.999 35.224 ( 0.257 -0.947 -12.913) 12.950 35.224 ( 0.257 -0.947 12.913) 12.950 37.552 ( 1.201 -2.099 -5.188) 5.724 37.552 ( 1.201 -2.099 5.188) 5.724 ======================= Grid point 352 (65/78) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( -3.283 1.709 -62.440) 62.549 3.404 ( -3.283 1.709 62.440) 62.549 4.392 ( -6.829 4.931 -9.947) 13.034 4.392 ( -6.829 4.931 9.947) 13.034 5.178 ( -19.196 19.636 -10.485) 29.394 5.178 ( -19.196 19.636 10.485) 29.394 5.823 ( -6.502 12.194 -6.734) 15.372 5.823 ( -6.502 12.194 6.734) 15.372 7.241 ( -5.298 -0.036 -9.847) 11.181 7.241 ( -5.298 -0.036 9.847) 11.181 8.443 ( -8.463 -12.622 -17.585) 23.242 8.443 ( -8.463 -12.622 17.585) 23.242 8.740 ( -18.238 -13.233 -20.049) 30.161 8.740 ( -18.238 -13.233 20.049) 30.161 9.043 ( -0.023 -9.185 -11.102) 14.409 9.043 ( -0.023 -9.185 11.102) 14.409 9.905 ( 15.471 -4.227 -9.363) 18.571 9.905 ( 15.471 -4.227 9.363) 18.571 10.375 ( 9.290 2.225 -14.056) 16.994 10.375 ( 9.290 2.225 14.056) 16.994 10.880 ( 9.119 -3.913 -16.607) 19.346 10.880 ( 9.119 -3.913 16.607) 19.346 11.625 ( -3.099 -0.463 -7.654) 8.271 11.625 ( -3.099 -0.463 7.654) 8.271 12.295 ( -0.273 16.130 -12.400) 20.347 12.295 ( -0.273 16.130 12.400) 20.347 12.680 ( -3.632 5.505 -4.087) 7.759 12.680 ( -3.632 5.505 4.087) 7.759 13.424 ( 6.422 11.784 -3.135) 13.782 13.424 ( 6.422 11.784 3.135) 13.782 13.910 ( -1.547 2.121 -7.458) 7.907 13.910 ( -1.547 2.121 7.458) 7.907 14.599 ( 1.361 -1.801 -6.753) 7.121 14.599 ( 1.361 -1.801 6.753) 7.121 16.597 ( 13.891 -42.350 -1.020) 44.582 16.597 ( 13.891 -42.350 1.020) 44.582 18.270 ( -3.996 21.629 -4.657) 22.482 18.270 ( -3.996 21.629 4.657) 22.482 18.440 ( -3.436 9.542 -5.618) 11.593 18.440 ( -3.436 9.542 5.618) 11.593 20.334 ( -1.889 -10.781 -3.594) 11.520 20.334 ( -1.889 -10.781 3.594) 11.520 20.719 ( -1.346 4.015 -1.654) 4.547 20.719 ( -1.346 4.015 1.654) 4.547 21.476 ( 0.814 -0.630 -24.476) 24.498 21.476 ( 0.814 -0.630 24.476) 24.498 29.350 ( 4.399 -0.240 -13.875) 14.557 29.350 ( 4.399 -0.240 13.875) 14.557 32.304 ( -6.110 10.161 -1.965) 12.018 32.304 ( -6.110 10.161 1.965) 12.018 32.936 ( 2.007 0.258 -9.587) 9.798 32.936 ( 2.007 0.258 9.587) 9.798 33.643 ( -1.687 -4.725 -3.973) 6.400 33.643 ( -1.687 -4.725 3.973) 6.400 33.926 ( -0.003 -1.082 -5.431) 5.538 33.926 ( -0.003 -1.082 5.431) 5.538 35.227 ( 0.858 -0.459 -12.908) 12.944 35.227 ( 0.858 -0.459 12.908) 12.944 37.550 ( 1.084 -2.259 -5.155) 5.732 37.550 ( 1.084 -2.259 5.155) 5.732 ======================= Grid point 354 (66/78) ======================= q-point: (-0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( -6.065 -0.187 -45.106) 45.513 3.322 ( -6.065 -0.187 45.106) 45.513 4.215 ( -18.395 3.064 -12.478) 22.438 4.215 ( -18.395 3.064 12.478) 22.438 5.001 ( -19.411 13.708 -9.061) 25.432 5.001 ( -19.411 13.708 9.061) 25.432 5.812 ( -8.906 8.577 -10.139) 15.990 5.812 ( -8.906 8.577 10.139) 15.990 6.902 ( -27.939 -7.632 -19.112) 34.700 6.902 ( -27.939 -7.632 19.112) 34.700 7.847 ( -26.623 -27.509 -7.260) 38.964 7.847 ( -26.623 -27.509 7.260) 38.964 8.331 ( -14.062 -13.862 -28.919) 35.017 8.331 ( -14.062 -13.862 28.919) 35.017 9.017 ( 2.064 -2.213 -15.145) 15.444 9.017 ( 2.064 -2.213 15.145) 15.444 10.086 ( 9.188 -1.672 -11.514) 14.825 10.086 ( 9.188 -1.672 11.514) 14.825 10.554 ( 4.463 -0.105 -2.835) 5.288 10.554 ( 4.463 -0.105 2.835) 5.288 11.016 ( 4.157 4.338 -3.435) 6.921 11.016 ( 4.157 4.338 3.435) 6.921 11.734 ( 15.444 1.084 -5.463) 16.418 11.734 ( 15.444 1.084 5.463) 16.418 12.428 ( 4.565 6.538 -14.161) 16.252 12.428 ( 4.565 6.538 14.161) 16.252 12.736 ( 0.490 10.634 -8.413) 13.568 12.736 ( 0.490 10.634 8.413) 13.568 13.735 ( 7.938 9.130 -6.184) 13.587 13.735 ( 7.938 9.130 6.184) 13.587 13.948 ( 2.310 15.043 -6.973) 16.740 13.948 ( 2.310 15.043 6.973) 16.740 14.662 ( 8.213 -0.852 -10.178) 13.106 14.662 ( 8.213 -0.852 10.178) 13.106 16.401 ( 12.999 -41.491 -1.892) 43.521 16.401 ( 12.999 -41.491 1.892) 43.521 18.223 ( -12.371 8.534 -9.386) 17.719 18.223 ( -12.371 8.534 9.386) 17.719 18.676 ( 4.487 22.482 -3.724) 23.226 18.676 ( 4.487 22.482 3.724) 23.226 20.152 ( -2.552 -16.146 -2.613) 16.554 20.152 ( -2.552 -16.146 2.613) 16.554 20.703 ( -5.358 4.700 -2.084) 7.426 20.703 ( -5.358 4.700 2.084) 7.426 21.474 ( -0.395 -1.820 -24.799) 24.869 21.474 ( -0.395 -1.820 24.799) 24.869 29.504 ( 11.894 2.690 -16.203) 20.279 29.504 ( 11.894 2.690 16.203) 20.279 32.289 ( -7.089 9.973 -1.788) 12.366 32.289 ( -7.089 9.973 1.788) 12.366 33.016 ( 6.130 0.684 -8.272) 10.318 33.016 ( 6.130 0.684 8.272) 10.318 33.519 ( -3.338 -11.114 -3.527) 12.129 33.519 ( -3.338 -11.114 3.527) 12.129 33.880 ( -5.401 2.393 -5.957) 8.389 33.880 ( -5.401 2.393 5.957) 8.389 35.238 ( 0.543 -0.237 -11.863) 11.878 35.238 ( 0.543 -0.237 11.863) 11.878 37.547 ( 1.091 -1.848 -4.987) 5.429 37.547 ( 1.091 -1.848 4.987) 5.429 ======================= Grid point 356 (67/78) ======================= q-point: (-0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -5.444 -1.251 -20.027) 20.791 3.212 ( -5.444 -1.251 20.027) 20.791 3.803 ( -31.525 2.513 -15.056) 35.026 3.803 ( -31.525 2.513 15.056) 35.026 4.784 ( -17.093 6.897 -13.418) 22.798 4.784 ( -17.093 6.897 13.418) 22.798 5.609 ( -19.636 -1.593 -14.824) 24.654 5.609 ( -19.636 -1.593 14.824) 24.654 6.177 ( -38.878 -15.689 -18.584) 45.859 6.177 ( -38.878 -15.689 18.584) 45.859 7.156 ( -23.514 -14.605 -12.905) 30.541 7.156 ( -23.514 -14.605 12.905) 30.541 7.930 ( -17.449 -11.930 -17.292) 27.309 7.930 ( -17.449 -11.930 17.292) 27.309 9.051 ( 3.131 -0.169 -13.231) 13.597 9.051 ( 3.131 -0.169 13.231) 13.597 10.203 ( 5.669 -0.483 -14.909) 15.958 10.203 ( 5.669 -0.483 14.909) 15.958 10.544 ( -3.622 0.895 -3.490) 5.108 10.544 ( -3.622 0.895 3.490) 5.108 11.034 ( -4.808 0.192 -10.567) 11.611 11.034 ( -4.808 0.192 10.567) 11.611 12.116 ( 22.308 1.509 -13.121) 25.925 12.116 ( 22.308 1.509 13.121) 25.925 12.659 ( 15.994 3.012 -9.962) 19.082 12.659 ( 15.994 3.012 9.962) 19.082 12.884 ( 4.458 9.952 -14.801) 18.384 12.884 ( 4.458 9.952 14.801) 18.384 13.778 ( -2.685 2.449 -5.579) 6.658 13.778 ( -2.685 2.449 5.579) 6.658 14.265 ( 6.181 13.282 -4.976) 15.472 14.265 ( 6.181 13.282 4.976) 15.472 14.965 ( 21.158 15.209 -6.489) 26.853 14.965 ( 21.158 15.209 6.489) 26.853 16.236 ( 14.262 -37.307 -4.031) 40.143 16.236 ( 14.262 -37.307 4.031) 40.143 18.050 ( -14.589 3.603 -12.644) 19.639 18.050 ( -14.589 3.603 12.644) 19.639 18.986 ( 3.767 23.638 -1.201) 23.967 18.986 ( 3.767 23.638 1.201) 23.967 19.943 ( -0.551 -18.312 -2.045) 18.434 19.943 ( -0.551 -18.312 2.045) 18.434 20.634 ( -7.382 4.201 -3.513) 9.192 20.634 ( -7.382 4.201 3.513) 9.192 21.403 ( -4.958 -3.464 -24.766) 25.494 21.403 ( -4.958 -3.464 24.766) 25.494 29.833 ( 21.471 4.961 -20.590) 30.159 29.833 ( 21.471 4.961 20.590) 30.159 32.262 ( -7.102 9.418 -1.463) 11.886 32.262 ( -7.102 9.418 1.463) 11.886 33.107 ( 2.214 -6.665 -3.740) 7.957 33.107 ( 2.214 -6.665 3.740) 7.957 33.336 ( -2.118 -7.092 -4.918) 8.886 33.336 ( -2.118 -7.092 4.918) 8.886 33.810 ( -5.590 4.271 -5.824) 9.133 33.810 ( -5.590 4.271 5.824) 9.133 35.226 ( -1.895 -0.824 -8.176) 8.433 35.226 ( -1.895 -0.824 8.176) 8.433 37.557 ( 1.777 -0.822 -3.876) 4.342 37.557 ( 1.777 -0.822 3.876) 4.342 ======================= Grid point 358 (68/78) ======================= q-point: (-0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -14.508 -4.078 -12.405) 19.519 3.061 ( -14.508 -4.078 12.405) 19.519 3.190 ( -35.049 0.308 -19.076) 39.906 3.190 ( -35.049 0.308 19.076) 39.906 4.547 ( -14.672 2.298 -33.259) 36.424 4.547 ( -14.672 2.298 33.259) 36.424 5.104 ( -31.416 -7.109 -11.221) 34.109 5.104 ( -31.416 -7.109 11.221) 34.109 5.325 ( -37.361 -10.953 -20.764) 44.124 5.325 ( -37.361 -10.953 20.764) 44.124 6.769 ( -11.785 -3.447 -9.803) 15.712 6.769 ( -11.785 -3.447 9.803) 15.712 7.472 ( -23.465 -6.303 -20.739) 31.944 7.472 ( -23.465 -6.303 20.739) 31.944 9.108 ( 2.924 0.165 -15.351) 15.628 9.108 ( 2.924 0.165 15.351) 15.628 10.283 ( 5.028 -2.505 -16.179) 17.126 10.283 ( 5.028 -2.505 16.179) 17.126 10.502 ( -3.733 5.362 -9.367) 11.420 10.502 ( -3.733 5.362 9.367) 11.420 10.907 ( -6.240 -3.225 -16.729) 18.143 10.907 ( -6.240 -3.225 16.729) 18.143 12.414 ( 8.904 1.222 -19.226) 21.223 12.414 ( 8.904 1.222 19.226) 21.223 13.002 ( 20.642 -3.779 -8.565) 22.665 13.002 ( 20.642 -3.779 8.565) 22.665 13.099 ( 8.650 9.381 -13.863) 18.842 13.099 ( 8.650 9.381 13.863) 18.842 13.776 ( -0.607 4.206 -4.145) 5.936 13.776 ( -0.607 4.206 4.145) 5.936 14.368 ( 0.824 -1.699 -2.872) 3.438 14.368 ( 0.824 -1.699 2.872) 3.438 15.667 ( 28.125 29.555 -5.811) 41.210 15.667 ( 28.125 29.555 5.811) 41.210 16.162 ( 15.964 -27.609 -5.973) 32.446 16.162 ( 15.964 -27.609 5.973) 32.446 17.790 ( -14.336 -3.181 -12.061) 19.003 17.790 ( -14.336 -3.181 12.061) 19.003 19.259 ( 2.576 16.098 -9.429) 18.834 19.259 ( 2.576 16.098 9.429) 18.834 19.797 ( 2.574 -11.107 -2.075) 11.589 19.797 ( 2.574 -11.107 2.075) 11.589 20.538 ( -6.588 1.386 -5.565) 8.735 20.538 ( -6.588 1.386 5.565) 8.735 21.229 ( -10.422 -3.361 -22.257) 24.805 21.229 ( -10.422 -3.361 22.257) 24.805 30.372 ( 34.068 5.546 -26.039) 43.237 30.372 ( 34.068 5.546 26.039) 43.237 32.233 ( -5.949 7.526 -1.078) 9.654 32.233 ( -5.949 7.526 1.078) 9.654 32.859 ( -13.461 -12.082 -2.229) 18.224 32.859 ( -13.461 -12.082 2.229) 18.224 33.374 ( 3.373 0.959 -2.426) 4.264 33.374 ( 3.373 0.959 2.426) 4.264 33.807 ( 2.122 2.802 -4.560) 5.757 33.807 ( 2.122 2.802 4.560) 5.757 35.130 ( -8.333 -1.806 -1.612) 8.678 35.130 ( -8.333 -1.806 1.612) 8.678 37.601 ( 3.745 0.298 -1.227) 3.952 37.601 ( 3.745 0.298 1.227) 3.952 ======================= Grid point 368 (69/78) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 0.117 6.583 -9.005) 11.155 3.154 ( 0.117 6.583 9.005) 11.155 3.855 ( 16.020 29.102 -12.878) 35.629 3.855 ( 16.020 29.102 12.878) 35.629 4.961 ( 18.828 18.409 -23.288) 35.153 4.961 ( 18.828 18.409 23.288) 35.153 5.602 ( 12.709 26.193 -16.635) 33.531 5.602 ( 12.709 26.193 16.635) 33.531 5.935 ( 17.737 33.855 -13.152) 40.420 5.935 ( 17.737 33.855 13.152) 40.420 6.958 ( 4.073 14.624 -6.910) 16.679 6.958 ( 4.073 14.624 6.910) 16.679 7.851 ( 14.245 15.478 -15.642) 26.213 7.851 ( 14.245 15.478 15.642) 26.213 9.041 ( -2.572 -3.365 -14.310) 14.924 9.041 ( -2.572 -3.365 14.310) 14.924 10.151 ( -6.083 -4.155 -16.878) 18.416 10.151 ( -6.083 -4.155 16.878) 18.416 10.646 ( 7.434 -2.069 -8.745) 11.663 10.646 ( 7.434 -2.069 8.745) 11.663 10.971 ( -1.650 9.016 -13.817) 16.580 10.971 ( -1.650 9.016 13.817) 16.580 12.176 ( -6.770 -19.853 -9.785) 23.145 12.176 ( -6.770 -19.853 9.785) 23.145 12.640 ( -9.370 -9.026 -7.921) 15.232 12.640 ( -9.370 -9.026 7.921) 15.232 13.059 ( 0.657 -10.507 -8.784) 13.711 13.059 ( 0.657 -10.507 8.784) 13.711 13.770 ( -3.465 3.029 -7.531) 8.826 13.770 ( -3.465 3.029 7.531) 8.826 14.262 ( -11.380 0.651 -9.078) 14.572 14.262 ( -11.380 0.651 9.078) 14.572 15.327 ( -15.042 -17.032 -6.918) 23.753 15.327 ( -15.042 -17.032 6.918) 23.753 15.864 ( 12.026 -25.432 -10.858) 30.154 15.864 ( 12.026 -25.432 10.858) 30.154 17.934 ( -4.235 16.625 -10.262) 19.991 17.934 ( -4.235 16.625 10.262) 19.991 19.263 ( -9.011 1.645 -4.141) 10.052 19.263 ( -9.011 1.645 4.141) 10.052 19.811 ( 13.763 -5.119 -5.206) 15.580 19.811 ( 13.763 -5.119 5.206) 15.580 20.656 ( 1.361 7.732 -6.548) 10.223 20.656 ( 1.361 7.732 6.548) 10.223 21.353 ( 2.407 5.168 -24.075) 24.741 21.353 ( 2.407 5.168 24.075) 24.741 29.883 ( -12.042 -20.683 -20.375) 31.432 29.883 ( -12.042 -20.683 20.375) 31.432 32.407 ( 3.565 7.871 -1.266) 8.733 32.407 ( 3.565 7.871 1.266) 8.733 32.985 ( 5.766 4.119 -1.592) 7.262 32.985 ( 5.766 4.119 1.592) 7.262 33.284 ( -3.293 -4.028 -5.106) 7.290 33.284 ( -3.293 -4.028 5.106) 7.290 33.846 ( 1.083 4.255 -5.603) 7.118 33.846 ( 1.083 4.255 5.603) 7.118 35.215 ( 1.199 2.213 -6.026) 6.530 35.215 ( 1.199 2.213 6.026) 6.530 37.548 ( -1.092 -2.177 -3.383) 4.169 37.548 ( -1.092 -2.177 3.383) 4.169 ======================= Grid point 370 (70/78) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 3.040 8.129 -35.535) 36.579 3.254 ( 3.040 8.129 35.535) 36.579 4.277 ( 5.610 17.759 -2.781) 18.830 4.277 ( 5.610 17.759 2.781) 18.830 5.494 ( 8.996 32.223 -18.269) 38.119 5.494 ( 8.996 32.223 18.269) 38.119 6.016 ( 4.957 22.524 -10.181) 25.210 6.016 ( 4.957 22.524 10.181) 25.210 6.511 ( 10.704 23.299 -14.274) 29.346 6.511 ( 10.704 23.299 14.274) 29.346 7.345 ( 29.220 10.954 -4.189) 31.486 7.345 ( 29.220 10.954 4.189) 31.486 8.271 ( 18.848 7.965 -3.422) 20.746 8.271 ( 18.848 7.965 3.422) 20.746 8.988 ( 0.938 -0.875 -3.153) 3.404 8.988 ( 0.938 -0.875 3.153) 3.404 9.950 ( -9.894 -10.495 -15.373) 21.080 9.950 ( -9.894 -10.495 15.373) 21.080 10.617 ( -1.902 -12.416 -14.465) 19.158 10.617 ( -1.902 -12.416 14.465) 19.158 11.026 ( -3.951 3.795 -9.568) 11.025 11.026 ( -3.951 3.795 9.568) 11.025 11.876 ( -3.805 -13.735 -8.801) 16.751 11.876 ( -3.805 -13.735 8.801) 16.751 12.464 ( -5.053 -3.704 -14.030) 15.366 12.464 ( -5.053 -3.704 14.030) 15.366 12.914 ( -8.107 0.435 -9.305) 12.349 12.914 ( -8.107 0.435 9.305) 12.349 13.762 ( -3.603 4.518 -10.180) 11.706 13.762 ( -3.603 4.518 10.180) 11.706 13.996 ( -16.301 0.647 -8.649) 18.465 13.996 ( -16.301 0.647 8.649) 18.465 14.962 ( -12.855 -5.469 -3.011) 14.291 14.962 ( -12.855 -5.469 3.011) 14.291 15.899 ( 25.531 -37.160 -2.864) 45.176 15.899 ( 25.531 -37.160 2.864) 45.176 18.016 ( -3.213 13.416 -8.687) 16.303 18.016 ( -3.213 13.416 8.687) 16.303 19.081 ( -15.382 8.454 -4.145) 18.035 19.081 ( -15.382 8.454 4.145) 18.035 20.042 ( 16.683 -6.014 -6.349) 18.836 20.042 ( 16.683 -6.014 6.349) 18.836 20.729 ( -1.639 6.399 -6.359) 9.169 20.729 ( -1.639 6.399 6.359) 9.169 21.421 ( 1.963 1.078 -23.982) 24.086 21.421 ( 1.963 1.078 23.982) 24.086 29.539 ( -8.100 -12.231 -14.951) 20.946 29.539 ( -8.100 -12.231 14.951) 20.946 32.505 ( -4.480 13.582 -1.731) 14.406 32.505 ( -4.480 13.582 1.731) 14.406 33.047 ( 0.228 -5.647 -3.373) 6.582 33.047 ( 0.228 -5.647 3.373) 6.582 33.310 ( 10.517 -0.247 -6.055) 12.138 33.310 ( 10.517 -0.247 6.055) 12.138 33.891 ( -1.369 4.011 -5.082) 6.618 33.891 ( -1.369 4.011 5.082) 6.618 35.228 ( -0.256 -0.575 -9.150) 9.172 35.228 ( -0.256 -0.575 9.150) 9.172 37.518 ( 0.113 -2.255 -4.591) 5.117 37.518 ( 0.113 -2.255 4.591) 5.117 ======================= Grid point 372 (71/78) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 2.930 8.892 -59.427) 60.160 3.404 ( 2.930 8.892 59.427) 60.160 4.459 ( 1.145 8.575 -7.650) 11.548 4.459 ( 1.145 8.575 7.650) 11.548 5.820 ( -12.220 35.489 -14.556) 40.257 5.820 ( -12.220 35.489 14.556) 40.257 6.199 ( -8.675 21.827 -1.661) 23.546 6.199 ( -8.675 21.827 1.661) 23.546 6.909 ( 13.960 17.719 -15.995) 27.653 6.909 ( 13.960 17.719 15.995) 27.653 8.022 ( 30.300 1.250 -1.268) 30.352 8.022 ( 30.300 1.250 1.268) 30.352 8.666 ( 21.085 5.137 -21.449) 30.513 8.666 ( 21.085 5.137 21.449) 30.513 9.120 ( 12.657 1.887 -24.237) 27.408 9.120 ( 12.657 1.887 24.237) 27.408 9.559 ( -16.590 -18.954 -14.486) 29.057 9.559 ( -16.590 -18.954 14.486) 29.057 10.390 ( -6.100 -18.126 -13.851) 23.614 10.390 ( -6.100 -18.126 13.851) 23.614 10.797 ( -8.932 -17.266 -14.047) 23.983 10.797 ( -8.932 -17.266 14.047) 23.983 11.845 ( -0.784 8.849 -11.286) 14.363 11.845 ( -0.784 8.849 11.286) 14.363 12.363 ( -4.099 2.494 -19.353) 19.939 12.363 ( -4.099 2.494 19.353) 19.939 12.868 ( -5.324 11.847 -7.933) 15.219 12.868 ( -5.324 11.847 7.933) 15.219 13.577 ( -15.008 0.552 -0.490) 15.026 13.577 ( -15.008 0.552 0.490) 15.026 13.908 ( 0.390 3.354 -6.603) 7.416 13.908 ( 0.390 3.354 6.603) 7.416 14.738 ( -8.542 -2.727 -3.349) 9.572 14.738 ( -8.542 -2.727 3.349) 9.572 15.953 ( 23.289 -38.710 -2.676) 45.255 15.953 ( 23.289 -38.710 2.676) 45.255 18.103 ( 2.092 5.611 -7.881) 9.898 18.103 ( 2.092 5.611 7.881) 9.898 18.930 ( -15.062 15.682 -4.802) 22.268 18.930 ( -15.062 15.682 4.802) 22.268 20.238 ( 10.735 -4.637 -8.662) 14.553 20.238 ( 10.735 -4.637 8.662) 14.553 20.726 ( -2.410 1.209 -5.501) 6.126 20.726 ( -2.410 1.209 5.501) 6.126 21.454 ( 1.042 0.492 -21.377) 21.408 21.454 ( 1.042 0.492 21.377) 21.408 29.345 ( -3.431 -6.371 -11.135) 13.280 29.345 ( -3.431 -6.371 11.135) 13.280 32.543 ( -6.875 14.374 -2.213) 16.086 32.543 ( -6.875 14.374 2.213) 16.086 32.976 ( -2.884 -1.238 -5.731) 6.534 32.976 ( -2.884 -1.238 5.731) 6.534 33.522 ( 12.372 -2.173 -5.673) 13.783 33.522 ( 12.372 -2.173 5.673) 13.783 33.875 ( -2.049 -0.602 -4.167) 4.682 33.875 ( -2.049 -0.602 4.167) 4.682 35.210 ( -0.225 -1.362 -9.847) 9.944 35.210 ( -0.225 -1.362 9.847) 9.944 37.503 ( 1.062 -2.788 -4.821) 5.670 37.503 ( 1.062 -2.788 4.821) 5.670 ======================= Grid point 374 (72/78) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( -2.415 6.052 -68.373) 68.683 3.492 ( -2.415 6.052 68.373) 68.683 4.517 ( -1.481 3.684 -12.953) 13.548 4.517 ( -1.481 3.684 12.953) 13.548 5.810 ( -21.685 24.975 -15.398) 36.484 5.810 ( -21.685 24.975 15.398) 36.484 6.248 ( -15.575 31.555 -1.985) 35.245 6.248 ( -15.575 31.555 1.985) 35.245 7.256 ( 5.105 10.173 -14.642) 18.545 7.256 ( 5.105 10.173 14.642) 18.545 8.315 ( 9.081 -11.354 -9.811) 17.539 8.315 ( 9.081 -11.354 9.811) 17.539 8.911 ( 0.354 -16.653 -6.560) 17.902 8.911 ( 0.354 -16.653 6.560) 17.902 9.007 ( -20.357 -6.322 -20.532) 29.596 9.007 ( -20.357 -6.322 20.532) 29.596 9.503 ( 24.490 -2.213 -9.189) 26.251 9.503 ( 24.490 -2.213 9.189) 26.251 10.167 ( 7.489 -11.125 -16.964) 21.625 10.167 ( 7.489 -11.125 16.964) 21.625 10.600 ( 7.253 -15.613 -15.774) 23.349 10.600 ( 7.253 -15.613 15.774) 23.349 11.851 ( -11.376 12.289 -15.624) 22.903 11.851 ( -11.376 12.289 15.624) 22.903 12.428 ( 1.711 9.388 -16.322) 18.906 12.428 ( 1.711 9.388 16.322) 18.906 12.856 ( -8.150 7.705 -6.956) 13.198 12.856 ( -8.150 7.705 6.956) 13.198 13.477 ( 0.112 9.622 -4.775) 10.742 13.477 ( 0.112 9.622 4.775) 10.742 13.956 ( 0.558 4.459 -7.850) 9.045 13.956 ( 0.558 4.459 7.850) 9.045 14.600 ( -4.215 -2.338 -5.449) 7.274 14.600 ( -4.215 -2.338 5.449) 7.274 15.911 ( 16.568 -38.486 -0.510) 41.903 15.911 ( 16.568 -38.486 0.511) 41.903 18.196 ( 6.560 -3.144 -7.297) 10.304 18.196 ( 6.560 -3.144 7.297) 10.304 18.889 ( -12.184 24.105 -4.109) 27.320 18.889 ( -12.184 24.105 4.109) 27.320 20.273 ( -0.916 -7.227 -7.934) 10.772 20.273 ( -0.916 -7.227 7.934) 10.772 20.721 ( 2.597 -0.592 -4.924) 5.598 20.721 ( 2.597 -0.592 4.924) 5.598 21.468 ( -0.112 0.515 -19.219) 19.226 21.468 ( -0.112 0.515 19.219) 19.226 29.283 ( 1.486 -2.551 -9.793) 10.228 29.283 ( 1.486 -2.551 9.793) 10.228 32.564 ( -7.312 14.333 -2.688) 16.314 32.564 ( -7.312 14.333 2.688) 16.314 32.934 ( -1.838 1.221 -6.458) 6.824 32.934 ( -1.838 1.221 6.458) 6.824 33.618 ( 0.472 -4.910 -4.933) 6.977 33.618 ( 0.472 -4.910 4.933) 6.977 33.858 ( 3.972 -2.736 -4.453) 6.564 33.858 ( 3.972 -2.736 4.453) 6.564 35.202 ( 0.843 -1.068 -9.796) 9.890 35.202 ( 0.843 -1.068 9.796) 9.890 37.497 ( 1.550 -2.937 -4.751) 5.797 37.497 ( 1.550 -2.937 4.751) 5.797 ======================= Grid point 378 (73/78) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( -7.243 1.285 -56.938) 57.411 3.439 ( -7.243 1.285 56.938) 57.411 4.476 ( -7.176 2.469 -12.143) 14.319 4.476 ( -7.176 2.469 12.143) 14.319 5.624 ( -25.608 21.343 -13.824) 36.089 5.624 ( -25.608 21.343 13.824) 36.089 6.264 ( -20.148 30.605 -3.072) 36.770 6.264 ( -20.148 30.605 3.072) 36.770 7.198 ( -15.233 -7.637 -7.162) 18.484 7.198 ( -15.233 -7.637 7.162) 18.484 7.947 ( -18.879 -28.319 -7.471) 34.845 7.947 ( -18.879 -28.319 7.471) 34.845 8.512 ( -20.178 -12.259 -22.385) 32.535 8.512 ( -20.178 -12.259 22.385) 32.535 8.907 ( 7.576 -1.481 -19.070) 20.574 8.907 ( 7.576 -1.481 19.070) 20.574 9.817 ( 15.913 -4.333 -10.278) 19.433 9.817 ( 15.913 -4.333 10.278) 19.433 10.382 ( 14.264 -2.090 -9.646) 17.346 10.382 ( 14.264 -2.090 9.646) 17.346 10.775 ( 22.864 -3.236 -12.091) 26.066 10.775 ( 22.864 -3.236 12.091) 26.066 11.759 ( -9.915 9.565 -14.788) 20.211 11.759 ( -9.915 9.565 14.788) 20.211 12.456 ( -3.017 0.665 -15.416) 15.722 12.456 ( -3.017 0.665 15.416) 15.722 12.854 ( -1.758 9.513 -11.390) 14.944 12.854 ( -1.758 9.513 11.390) 14.944 13.681 ( 6.962 8.297 -8.137) 13.547 13.681 ( 6.962 8.297 8.137) 13.547 14.075 ( 4.141 15.447 -8.102) 17.928 14.075 ( 4.141 15.447 8.102) 17.928 14.549 ( 1.762 -1.424 -7.856) 8.177 14.549 ( 1.762 -1.424 7.856) 8.177 15.778 ( 12.326 -35.752 -4.264) 38.057 15.778 ( 12.326 -35.752 4.264) 38.057 18.246 ( 3.723 -6.095 -7.573) 10.409 18.246 ( 3.723 -6.095 7.573) 10.409 18.991 ( -5.419 25.582 -2.954) 26.316 18.991 ( -5.419 25.582 2.954) 26.316 20.093 ( -6.887 -11.401 -5.474) 14.401 20.093 ( -6.887 -11.401 5.474) 14.401 20.774 ( 1.471 1.275 -5.402) 5.742 20.774 ( 1.471 1.275 5.402) 5.742 21.461 ( -0.507 -0.785 -20.616) 20.637 21.461 ( -0.507 -0.785 20.616) 20.637 29.345 ( 7.272 -0.224 -11.312) 13.450 29.345 ( 7.272 -0.224 11.312) 13.450 32.570 ( -8.913 14.344 -2.671) 17.097 32.570 ( -8.913 14.344 2.671) 17.097 32.941 ( 1.851 0.420 -6.654) 6.919 32.941 ( 1.851 0.420 6.654) 6.919 33.484 ( -4.712 -10.010 -3.670) 11.657 33.484 ( -4.712 -10.010 3.670) 11.657 33.917 ( 2.442 -0.012 -5.642) 6.148 33.917 ( 2.442 -0.012 5.642) 6.148 35.216 ( 1.426 -0.560 -9.899) 10.017 35.216 ( 1.426 -0.560 9.899) 10.017 37.499 ( 1.740 -2.262 -4.760) 5.550 37.499 ( 1.740 -2.262 4.760) 5.550 ======================= Grid point 380 (74/78) ======================= q-point: (-0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( -7.425 -2.159 -33.108) 33.999 3.297 ( -7.425 -2.159 33.108) 33.999 4.290 ( -17.904 2.647 -9.215) 20.309 4.290 ( -17.904 2.647 9.215) 20.309 5.338 ( -29.069 16.446 -16.768) 37.372 5.338 ( -29.069 16.446 16.768) 37.372 6.084 ( -27.957 13.468 -11.163) 32.979 6.084 ( -27.957 13.468 11.163) 32.979 6.620 ( -29.353 -17.288 -11.957) 36.103 6.620 ( -29.353 -17.288 11.957) 36.103 7.366 ( -19.387 -17.238 -11.119) 28.225 7.366 ( -19.387 -17.238 11.119) 28.225 8.137 ( -15.215 -1.848 -18.325) 23.890 8.137 ( -15.215 -1.848 18.325) 23.890 8.987 ( 3.042 -0.865 -8.423) 8.997 8.987 ( 3.042 -0.865 8.423) 8.997 10.029 ( 12.024 -3.725 -16.427) 20.695 10.029 ( 12.024 -3.725 16.427) 20.695 10.554 ( 6.772 1.277 -8.819) 11.192 10.554 ( 6.772 1.277 8.819) 11.192 11.071 ( 4.409 0.651 -7.615) 8.823 11.071 ( 4.409 0.651 7.615) 8.823 11.802 ( 11.262 4.032 -10.543) 15.945 11.802 ( 11.262 4.032 10.543) 15.945 12.478 ( 6.242 0.450 -14.543) 15.833 12.478 ( 6.242 0.450 14.543) 15.833 12.924 ( 1.249 5.500 -12.862) 14.044 12.924 ( 1.249 5.500 12.862) 14.044 13.786 ( 1.376 0.457 -6.418) 6.579 13.786 ( 1.376 0.457 6.418) 6.579 14.274 ( 3.520 -1.533 -3.701) 5.333 14.274 ( 3.520 -1.533 3.701) 5.333 14.800 ( 17.613 22.172 -5.099) 28.772 14.800 ( 17.613 22.172 5.099) 28.772 15.673 ( 12.342 -24.186 -11.981) 29.679 15.673 ( 12.342 -24.186 11.981) 29.679 18.179 ( -4.592 -6.703 -9.093) 12.194 18.179 ( -4.592 -6.703 9.093) 12.194 19.179 ( 1.125 15.726 -1.197) 15.812 19.179 ( 1.125 15.726 1.197) 15.812 19.863 ( -6.574 -7.076 -4.923) 10.841 19.863 ( -6.574 -7.076 4.923) 10.841 20.767 ( -3.976 0.995 -5.889) 7.175 20.767 ( -3.976 0.995 5.889) 7.175 21.430 ( -1.740 -1.868 -23.314) 23.453 21.430 ( -1.740 -1.868 23.314) 23.453 29.540 ( 14.682 0.825 -15.086) 21.067 29.540 ( 14.682 0.825 15.086) 21.067 32.528 ( -10.255 9.978 -2.102) 14.461 32.528 ( -10.255 9.978 2.102) 14.461 32.999 ( 4.147 -1.565 -5.007) 6.687 32.999 ( 4.147 -1.565 5.007) 6.687 33.307 ( -3.684 -7.237 -4.525) 9.296 33.307 ( -3.684 -7.237 4.525) 9.296 33.918 ( -2.741 0.604 -5.820) 6.461 33.918 ( -2.741 0.604 5.820) 6.461 35.231 ( 0.535 -0.349 -9.214) 9.236 35.231 ( 0.535 -0.349 9.214) 9.236 37.515 ( 1.901 -0.950 -4.529) 5.003 37.515 ( 1.901 -0.950 4.529) 5.003 ======================= Grid point 396 (75/78) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 4.139 9.492 -54.957) 55.924 3.441 ( 4.139 9.492 54.957) 55.924 4.494 ( 2.462 4.998 -0.823) 5.632 4.494 ( 2.462 4.998 0.823) 5.632 5.980 ( 21.408 14.240 -18.416) 31.626 5.980 ( 21.408 14.240 18.416) 31.626 6.695 ( -1.523 40.815 -7.754) 41.573 6.695 ( -1.523 40.815 7.754) 41.573 6.919 ( 14.259 14.504 -10.618) 22.945 6.919 ( 14.259 14.504 10.618) 22.945 7.606 ( 12.153 17.102 -3.407) 21.255 7.606 ( 12.153 17.102 3.407) 21.255 8.398 ( 9.605 5.682 -14.046) 17.940 8.398 ( 9.605 5.682 14.046) 17.940 8.959 ( 3.911 -4.094 -21.891) 22.611 8.959 ( 3.911 -4.094 21.891) 22.611 9.706 ( -14.592 -11.129 -16.451) 24.646 9.706 ( -14.592 -11.129 16.451) 24.646 10.344 ( -8.434 -14.495 -11.726) 20.463 10.344 ( -8.434 -14.495 11.726) 20.463 10.768 ( -12.706 -24.877 -10.879) 29.978 10.768 ( -12.706 -24.877 10.879) 29.978 11.893 ( 8.954 11.380 -13.136) 19.550 11.893 ( 8.954 11.380 13.136) 19.550 12.421 ( -2.261 1.006 -17.824) 17.995 12.421 ( -2.261 1.006 17.824) 17.995 12.973 ( 2.675 2.658 -12.144) 12.716 12.973 ( 2.675 2.658 12.144) 12.716 13.750 ( -2.739 -3.776 -7.553) 8.877 13.750 ( -2.739 -3.776 7.553) 8.877 14.090 ( -14.481 4.729 -9.497) 17.952 14.090 ( -14.481 4.729 9.497) 17.952 14.770 ( 5.925 -13.891 -7.820) 17.006 14.770 ( 5.925 -13.891 7.820) 17.006 15.358 ( -1.562 -13.031 -10.201) 16.622 15.358 ( -1.562 -13.031 10.201) 16.622 18.141 ( -3.926 0.320 -8.084) 8.993 18.141 ( -3.926 0.320 8.084) 8.993 19.240 ( -2.272 5.456 -2.780) 6.532 19.240 ( -2.272 5.456 2.780) 6.532 20.010 ( 9.717 3.634 -6.216) 12.094 20.010 ( 9.717 3.634 6.216) 12.094 20.771 ( -2.858 -2.069 -5.689) 6.694 20.771 ( -2.858 -2.069 5.689) 6.694 21.450 ( 0.786 1.802 -18.101) 18.207 21.450 ( 0.786 1.802 18.101) 18.207 29.342 ( -4.110 -7.084 -9.753) 12.736 29.342 ( -4.110 -7.084 9.753) 12.736 32.734 ( 1.082 6.452 -3.754) 7.543 32.734 ( 1.082 6.452 3.754) 7.543 32.985 ( 4.051 1.065 -3.422) 5.409 32.985 ( 4.051 1.065 3.422) 5.409 33.341 ( 2.847 3.726 -4.558) 6.539 33.341 ( 2.847 3.726 4.558) 6.539 33.908 ( -2.698 -2.332 -5.180) 6.289 33.908 ( -2.698 -2.332 5.180) 6.289 35.207 ( -0.960 -1.267 -7.827) 7.986 35.207 ( -0.960 -1.267 7.827) 7.986 37.476 ( -0.868 -1.785 -4.579) 4.990 37.476 ( -0.868 -1.785 4.579) 4.990 ======================= Grid point 398 (76/78) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 0.819 8.275 -73.092) 73.563 3.590 ( 0.819 8.275 73.092) 73.563 4.533 ( 0.428 -0.098 -7.444) 7.457 4.533 ( 0.428 -0.098 7.444) 7.457 6.247 ( -3.543 9.332 -11.878) 15.515 6.247 ( -3.543 9.332 11.878) 15.515 6.911 ( -15.435 41.190 -3.441) 44.122 6.911 ( -15.435 41.190 3.441) 44.122 7.382 ( 8.780 27.644 -9.346) 30.473 7.382 ( 8.780 27.644 9.346) 30.473 7.998 ( 11.431 -3.242 -2.988) 12.252 7.998 ( 11.431 -3.241 2.988) 12.252 8.571 ( 17.104 -18.390 -3.925) 25.419 8.571 ( 17.104 -18.390 3.925) 25.419 9.020 ( 8.677 -4.005 -8.692) 12.918 9.020 ( 8.677 -4.005 8.692) 12.918 9.390 ( -12.925 -3.171 -14.178) 19.445 9.390 ( -12.925 -3.171 14.178) 19.445 9.991 ( -5.868 -16.832 -17.252) 24.807 9.991 ( -5.868 -16.832 17.252) 24.807 10.368 ( -2.340 -20.112 -15.589) 25.554 10.368 ( -2.340 -20.112 15.589) 25.554 12.149 ( -1.954 15.958 -13.417) 20.940 12.149 ( -1.954 15.958 13.417) 20.940 12.436 ( 3.024 4.959 -16.458) 17.453 12.436 ( 3.024 4.959 16.458) 17.453 13.015 ( -2.432 0.192 -6.945) 7.361 13.015 ( -2.432 0.192 6.945) 7.361 13.622 ( -6.692 4.644 -5.516) 9.838 13.622 ( -6.692 4.644 5.516) 9.838 13.997 ( -2.014 3.977 -8.008) 9.165 13.997 ( -2.014 3.977 8.008) 9.165 14.680 ( -5.150 -2.894 -5.315) 7.946 14.680 ( -5.150 -2.894 5.315) 7.946 15.297 ( 12.806 -23.605 -3.464) 27.077 15.297 ( 12.806 -23.605 3.464) 27.077 18.086 ( 0.752 -3.922 -7.902) 8.854 18.086 ( 0.752 -3.922 7.902) 8.854 19.257 ( -6.242 13.272 -3.847) 15.163 19.257 ( -6.242 13.272 3.847) 15.163 20.193 ( 5.993 0.611 -8.334) 10.283 20.193 ( 5.993 0.611 8.334) 10.283 20.667 ( -1.779 -5.840 -4.157) 7.386 20.667 ( -1.779 -5.840 4.157) 7.386 21.482 ( 0.273 1.715 -11.258) 11.391 21.482 ( 0.273 1.715 11.258) 11.391 29.248 ( -0.817 -3.103 -5.691) 6.533 29.248 ( -0.817 -3.103 5.691) 6.533 32.753 ( -2.345 3.991 -3.274) 5.670 32.753 ( -2.345 3.991 3.274) 5.670 33.068 ( -4.382 11.645 -3.060) 12.813 33.068 ( -4.382 11.645 3.060) 12.813 33.474 ( 9.466 -3.335 -5.017) 11.221 33.474 ( 9.466 -3.335 5.017) 11.221 33.803 ( -2.761 -5.520 -3.968) 7.338 33.803 ( -2.761 -5.520 3.968) 7.338 35.183 ( -0.110 -1.136 -5.576) 5.691 35.183 ( -0.110 -1.136 5.576) 5.691 37.451 ( 0.408 -2.052 -4.401) 4.873 37.451 ( 0.408 -2.052 4.401) 4.873 ======================= Grid point 400 (77/78) ======================= q-point: (-0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( -6.902 3.062 -72.460) 72.852 3.595 ( -6.902 3.062 72.460) 72.852 4.535 ( 0.128 -0.593 -7.179) 7.204 4.535 ( 0.128 -0.593 7.179) 7.204 6.177 ( -14.429 11.738 -13.758) 23.136 6.177 ( -14.429 11.738 13.758) 23.136 6.997 ( -19.072 34.585 -4.263) 39.725 6.997 ( -19.072 34.585 4.263) 39.725 7.458 ( -25.104 -0.982 -7.167) 26.125 7.458 ( -25.104 -0.982 7.167) 26.125 7.948 ( -3.987 -11.992 -7.825) 14.863 7.948 ( -3.987 -11.992 7.825) 14.863 8.508 ( 5.026 -19.250 -3.592) 20.217 8.508 ( 5.026 -19.250 3.592) 20.217 8.927 ( -10.731 -0.512 -19.747) 22.480 8.927 ( -10.731 -0.512 19.747) 22.480 9.487 ( 18.525 -0.541 -8.230) 20.278 9.487 ( 18.525 -0.541 8.230) 20.278 10.031 ( 18.047 -4.356 -18.760) 26.393 10.031 ( 18.047 -4.356 18.760) 26.393 10.335 ( 16.741 -6.858 -12.181) 21.810 10.335 ( 16.741 -6.858 12.181) 21.810 12.112 ( -14.784 10.615 -15.877) 24.152 12.112 ( -14.784 10.615 15.877) 24.152 12.500 ( -2.597 -2.615 -11.181) 11.773 12.500 ( -2.597 -2.615 11.181) 11.773 12.969 ( -1.238 4.591 -8.765) 9.972 12.969 ( -1.238 4.591 8.765) 9.972 13.662 ( 2.291 5.041 -9.139) 10.686 13.662 ( 2.291 5.041 9.139) 10.686 14.067 ( 5.278 2.318 -6.335) 8.565 14.067 ( 5.278 2.318 6.335) 8.565 14.597 ( -2.872 5.061 -5.020) 7.685 14.597 ( -2.872 5.061 5.020) 7.685 15.277 ( 10.902 -20.448 -3.588) 23.448 15.277 ( 10.902 -20.448 3.588) 23.448 18.102 ( 5.065 -3.814 -7.804) 10.055 18.102 ( 5.065 -3.814 7.804) 10.055 19.281 ( -5.729 10.987 -2.518) 12.644 19.281 ( -5.729 10.987 2.518) 12.644 20.154 ( -7.443 -2.861 -6.391) 10.219 20.154 ( -7.443 -2.861 6.391) 10.219 20.682 ( 7.115 -2.271 -4.578) 8.760 20.682 ( 7.115 -2.271 4.578) 8.760 21.482 ( -1.518 0.566 -11.074) 11.192 21.482 ( -1.518 0.566 11.074) 11.192 29.248 ( 3.103 -0.848 -5.755) 6.593 29.248 ( 3.103 -0.848 5.755) 6.593 32.763 ( -0.928 3.345 -4.018) 5.310 32.763 ( -0.928 3.345 4.018) 5.310 33.057 ( -9.484 10.364 -2.901) 14.345 33.057 ( -9.484 10.364 2.901) 14.345 33.462 ( -2.656 -8.943 -4.202) 10.231 33.462 ( -2.656 -8.943 4.202) 10.231 33.815 ( 7.116 -1.302 -4.500) 8.520 33.815 ( 7.116 -1.302 4.500) 8.520 35.185 ( 1.191 -0.561 -5.616) 5.768 35.185 ( 1.191 -0.561 5.616) 5.768 37.450 ( 1.476 -1.324 -4.389) 4.816 37.450 ( 1.476 -1.324 4.389) 4.816 ======================= Grid point 422 (78/78) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( -0.000 -0.000 -81.733) 81.733 3.685 ( -0.000 -0.000 81.733) 81.733 4.518 ( -0.000 -0.000 -0.000) 0.000 4.518 ( -0.000 -0.000 0.000) 0.000 6.339 ( -0.000 -0.000 0.000) 0.000 6.339 ( -0.000 -0.000 0.000) 0.000 7.530 ( -0.000 -0.000 0.000) 0.000 7.530 ( 0.000 -0.000 -0.000) 0.000 7.668 ( -0.000 -0.000 -9.038) 9.038 7.668 ( 0.000 -0.000 9.038) 9.038 7.947 ( 0.000 -0.000 0.000) 0.000 7.947 ( -0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 -0.000) 0.000 8.290 ( -0.000 0.000 0.000) 0.000 8.952 ( 0.000 -0.000 -5.484) 5.484 8.952 ( -0.000 -0.000 5.484) 5.484 9.291 ( -0.000 -0.000 -0.000) 0.000 9.291 ( -0.000 0.000 0.000) 0.000 9.875 ( 0.000 -0.000 -31.775) 31.775 9.875 ( 0.000 0.000 31.775) 31.775 10.114 ( -0.000 -0.000 0.000) 0.000 10.114 ( -0.000 -0.000 0.000) 0.000 12.333 ( -0.000 -0.000 0.000) 0.000 12.333 ( -0.000 -0.000 0.000) 0.000 12.520 ( 0.000 0.000 -10.414) 10.414 12.520 ( 0.000 0.000 10.414) 10.414 12.967 ( -0.000 -0.000 -0.000) 0.000 12.967 ( -0.000 -0.000 0.000) 0.000 13.696 ( 0.000 -0.000 -8.175) 8.175 13.696 ( -0.000 -0.000 8.175) 8.175 14.022 ( -0.000 -0.000 -0.000) 0.000 14.022 ( -0.000 -0.000 0.000) 0.000 14.653 ( -0.000 -0.000 0.000) 0.000 14.653 ( 0.000 -0.000 0.000) 0.000 15.056 ( -0.000 -0.000 -0.000) 0.000 15.056 ( -0.000 -0.000 0.000) 0.000 18.034 ( -0.000 -0.000 -7.915) 7.915 18.034 ( -0.000 -0.000 7.915) 7.915 19.394 ( -0.000 -0.000 0.000) 0.000 19.394 ( 0.000 -0.000 0.000) 0.000 20.229 ( -0.000 -0.000 -6.369) 6.369 20.229 ( -0.000 -0.000 6.369) 6.369 20.576 ( -0.000 -0.000 -0.000) 0.000 20.576 ( -0.000 -0.000 0.000) 0.000 21.502 ( -0.000 -0.000 0.000) 0.000 21.502 ( -0.000 -0.000 0.000) 0.000 29.217 ( -0.000 -0.000 0.000) 0.000 29.217 ( -0.000 -0.000 0.000) 0.000 32.775 ( -0.000 -0.000 -0.000) 0.000 32.775 ( -0.000 -0.000 0.000) 0.000 33.315 ( -0.000 -0.000 0.000) 0.000 33.315 ( 0.000 0.000 0.000) 0.000 33.354 ( -0.000 -0.000 -0.000) 0.000 33.354 ( 0.000 0.000 -0.000) 0.000 33.725 ( -0.000 -0.000 -3.518) 3.518 33.725 ( 0.000 0.000 3.518) 3.518 35.170 ( -0.000 -0.000 0.000) 0.000 35.170 ( -0.000 -0.000 0.000) 0.000 37.429 ( -0.000 -0.000 -4.210) 4.210 37.429 ( -0.000 -0.000 4.210) 4.210 =================== 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 3/34560 10.0 5529.542 5529.542 1976.941 -0.000 -0.000 -0.000 3/34560 20.0 843.885 843.885 354.294 -0.000 0.000 -0.000 3/34560 30.0 263.346 263.346 131.763 -0.000 -0.000 -0.000 3/34560 40.0 133.778 133.778 77.710 0.000 -0.000 -0.000 3/34560 50.0 84.975 84.975 54.334 0.000 -0.000 -0.000 3/34560 60.0 61.176 61.176 41.505 0.000 -0.000 -0.000 3/34560 70.0 47.587 47.587 33.561 0.000 -0.000 -0.000 3/34560 80.0 38.964 38.964 28.247 0.000 -0.000 -0.000 3/34560 90.0 33.070 33.070 24.483 0.000 -0.000 -0.000 3/34560 100.0 28.814 28.814 21.693 0.000 -0.000 -0.000 3/34560 110.0 25.606 25.606 19.545 0.000 -0.000 -0.000 3/34560 120.0 23.105 23.105 17.836 0.000 -0.000 -0.000 3/34560 130.0 21.100 21.100 16.438 0.000 -0.000 -0.000 3/34560 140.0 19.455 19.455 15.269 0.000 -0.000 -0.000 3/34560 150.0 18.078 18.078 14.273 0.000 -0.000 -0.000 3/34560 160.0 16.907 16.907 13.410 0.000 -0.000 -0.000 3/34560 170.0 15.896 15.896 12.653 0.000 -0.000 -0.000 3/34560 180.0 15.012 15.012 11.983 0.000 -0.000 -0.000 3/34560 190.0 14.232 14.232 11.383 0.000 -0.000 -0.000 3/34560 200.0 13.536 13.536 10.843 0.000 -0.000 -0.000 3/34560 210.0 12.911 12.911 10.353 0.000 -0.000 -0.000 3/34560 220.0 12.345 12.345 9.907 0.000 -0.000 -0.000 3/34560 230.0 11.830 11.830 9.498 0.000 -0.000 -0.000 3/34560 240.0 11.359 11.359 9.122 0.000 -0.000 -0.000 3/34560 250.0 10.925 10.925 8.775 0.000 -0.000 -0.000 3/34560 260.0 10.525 10.525 8.453 0.000 -0.000 -0.000 3/34560 270.0 10.154 10.154 8.155 0.000 -0.000 -0.000 3/34560 280.0 9.810 9.810 7.877 0.000 -0.000 -0.000 3/34560 290.0 9.488 9.488 7.617 0.000 -0.000 -0.000 3/34560 300.0 9.188 9.188 7.374 0.000 -0.000 -0.000 3/34560 310.0 8.906 8.906 7.146 0.000 -0.000 -0.000 3/34560 320.0 8.641 8.641 6.931 0.000 -0.000 -0.000 3/34560 330.0 8.392 8.392 6.729 0.000 -0.000 -0.000 3/34560 340.0 8.157 8.157 6.539 0.000 -0.000 -0.000 3/34560 350.0 7.934 7.934 6.359 0.000 -0.000 -0.000 3/34560 360.0 7.724 7.724 6.188 0.000 -0.000 -0.000 3/34560 370.0 7.525 7.525 6.027 0.000 -0.000 -0.000 3/34560 380.0 7.335 7.335 5.873 0.000 -0.000 -0.000 3/34560 390.0 7.155 7.155 5.728 0.000 -0.000 -0.000 3/34560 400.0 6.984 6.984 5.589 0.000 -0.000 -0.000 3/34560 410.0 6.821 6.821 5.457 0.000 -0.000 -0.000 3/34560 420.0 6.665 6.665 5.331 0.000 -0.000 -0.000 3/34560 430.0 6.516 6.516 5.210 0.000 -0.000 -0.000 3/34560 440.0 6.373 6.373 5.095 0.000 -0.000 -0.000 3/34560 450.0 6.237 6.237 4.985 0.000 -0.000 -0.000 3/34560 460.0 6.107 6.107 4.879 0.000 -0.000 -0.000 3/34560 470.0 5.981 5.981 4.778 0.000 -0.000 -0.000 3/34560 480.0 5.861 5.861 4.681 0.000 -0.000 -0.000 3/34560 490.0 5.746 5.746 4.588 0.000 -0.000 -0.000 3/34560 500.0 5.635 5.635 4.498 0.000 -0.000 -0.000 3/34560 510.0 5.528 5.528 4.412 0.000 -0.000 -0.000 3/34560 520.0 5.425 5.425 4.329 0.000 -0.000 -0.000 3/34560 530.0 5.326 5.326 4.249 0.000 -0.000 -0.000 3/34560 540.0 5.230 5.230 4.172 0.000 -0.000 -0.000 3/34560 550.0 5.138 5.138 4.098 0.000 -0.000 -0.000 3/34560 560.0 5.049 5.049 4.026 0.000 -0.000 -0.000 3/34560 570.0 4.963 4.963 3.957 0.000 -0.000 -0.000 3/34560 580.0 4.880 4.880 3.890 0.000 -0.000 -0.000 3/34560 590.0 4.799 4.799 3.826 0.000 -0.000 -0.000 3/34560 600.0 4.721 4.721 3.763 0.000 -0.000 -0.000 3/34560 610.0 4.646 4.646 3.702 0.000 -0.000 -0.000 3/34560 620.0 4.573 4.573 3.644 0.000 -0.000 -0.000 3/34560 630.0 4.502 4.502 3.587 0.000 -0.000 -0.000 3/34560 640.0 4.434 4.434 3.532 0.000 -0.000 -0.000 3/34560 650.0 4.367 4.367 3.478 0.000 -0.000 -0.000 3/34560 660.0 4.302 4.302 3.427 0.000 -0.000 -0.000 3/34560 670.0 4.240 4.240 3.376 0.000 -0.000 -0.000 3/34560 680.0 4.179 4.179 3.327 0.000 -0.000 -0.000 3/34560 690.0 4.119 4.119 3.280 0.000 -0.000 -0.000 3/34560 700.0 4.062 4.062 3.234 0.000 -0.000 -0.000 3/34560 710.0 4.006 4.006 3.189 0.000 -0.000 -0.000 3/34560 720.0 3.951 3.951 3.145 0.000 -0.000 -0.000 3/34560 730.0 3.898 3.898 3.103 0.000 -0.000 -0.000 3/34560 740.0 3.847 3.847 3.061 0.000 -0.000 -0.000 3/34560 750.0 3.796 3.796 3.021 0.000 -0.000 -0.000 3/34560 760.0 3.747 3.747 2.982 0.000 -0.000 -0.000 3/34560 770.0 3.700 3.700 2.944 0.000 -0.000 -0.000 3/34560 780.0 3.653 3.653 2.906 0.000 -0.000 -0.000 3/34560 790.0 3.608 3.608 2.870 0.000 -0.000 -0.000 3/34560 800.0 3.563 3.563 2.835 0.000 -0.000 -0.000 3/34560 810.0 3.520 3.520 2.800 0.000 -0.000 -0.000 3/34560 820.0 3.478 3.478 2.766 0.000 -0.000 -0.000 3/34560 830.0 3.437 3.437 2.733 0.000 -0.000 -0.000 3/34560 840.0 3.397 3.397 2.701 0.000 -0.000 -0.000 3/34560 850.0 3.357 3.357 2.670 0.000 -0.000 -0.000 3/34560 860.0 3.319 3.319 2.639 0.000 -0.000 -0.000 3/34560 870.0 3.281 3.281 2.609 0.000 -0.000 -0.000 3/34560 880.0 3.245 3.245 2.580 0.000 -0.000 -0.000 3/34560 890.0 3.209 3.209 2.551 0.000 -0.000 -0.000 3/34560 900.0 3.174 3.174 2.523 0.000 -0.000 -0.000 3/34560 910.0 3.139 3.139 2.495 0.000 -0.000 -0.000 3/34560 920.0 3.106 3.106 2.469 0.000 -0.000 -0.000 3/34560 930.0 3.073 3.073 2.442 0.000 -0.000 -0.000 3/34560 940.0 3.040 3.040 2.416 0.000 -0.000 -0.000 3/34560 950.0 3.009 3.009 2.391 0.000 -0.000 -0.000 3/34560 960.0 2.978 2.978 2.367 0.000 -0.000 -0.000 3/34560 970.0 2.948 2.948 2.342 0.000 -0.000 -0.000 3/34560 980.0 2.918 2.918 2.319 0.000 -0.000 -0.000 3/34560 990.0 2.889 2.889 2.296 0.000 -0.000 -0.000 3/34560 1000.0 2.860 2.860 2.273 0.000 -0.000 -0.000 3/34560 Thermal conductivity related properties were written into "kappa-m12124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:29:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|