----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:54:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947135120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218674490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.700905719999999 Atomic positions (fractional): *1 O 0.54834204463768 0.25000000000000 0.11819521258573 15.999 2 O 0.95165795536232 0.75000000000000 0.61819521258573 15.999 3 O 0.04834204463768 0.25000000000000 0.38180478741427 15.999 4 O 0.45165795536232 0.75000000000000 0.88180478741427 15.999 *5 O 0.69745405602410 0.06245579876198 0.69462709831420 15.999 6 O 0.80254594397590 0.93754420123802 0.19462709831420 15.999 7 O 0.19745405602410 0.43754420123802 0.80537290168580 15.999 8 O 0.30254594397590 0.56245579876198 0.30537290168580 15.999 9 O 0.30254594397590 0.93754420123802 0.30537290168580 15.999 10 O 0.19745405602410 0.06245579876198 0.80537290168580 15.999 11 O 0.80254594397590 0.56245579876198 0.19462709831420 15.999 12 O 0.69745405602410 0.43754420123802 0.69462709831420 15.999 *13 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 14 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 15 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 16 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 *17 La 0.44302055544786 0.25000000000000 0.51754033730617 138.905 18 La 0.05697944455214 0.75000000000000 0.01754033730617 138.905 19 La 0.94302055544786 0.25000000000000 0.98245966269383 138.905 20 La 0.55697944455214 0.75000000000000 0.48245966269383 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.947135120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218674490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.700905719999999 Atomic positions (fractional): *1 O 0.54834204463768 0.25000000000000 0.11819521258573 15.999 > 1 2 O 0.95165795536232 0.75000000000000 0.61819521258573 15.999 > 2 3 O 0.04834204463768 0.25000000000000 0.38180478741427 15.999 > 3 4 O 0.45165795536232 0.75000000000000 0.88180478741427 15.999 > 4 *5 O 0.69745405602410 0.06245579876198 0.69462709831420 15.999 > 5 6 O 0.80254594397590 0.93754420123802 0.19462709831420 15.999 > 6 7 O 0.19745405602410 0.43754420123802 0.80537290168580 15.999 > 7 8 O 0.30254594397590 0.56245579876198 0.30537290168580 15.999 > 8 9 O 0.30254594397590 0.93754420123802 0.30537290168580 15.999 > 9 10 O 0.19745405602410 0.06245579876198 0.80537290168580 15.999 > 10 11 O 0.80254594397590 0.56245579876198 0.19462709831420 15.999 > 11 12 O 0.69745405602410 0.43754420123802 0.69462709831420 15.999 > 12 *13 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 13 14 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 14 15 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 15 16 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 16 *17 La 0.44302055544786 0.25000000000000 0.51754033730617 138.905 > 17 18 La 0.05697944455214 0.75000000000000 0.01754033730617 138.905 > 18 19 La 0.94302055544786 0.25000000000000 0.98245966269383 138.905 > 19 20 La 0.55697944455214 0.75000000000000 0.48245966269383 138.905 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.894270240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218674490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.401811439999998 Atomic positions (fractional): *1 O 0.27417102231884 0.25000000000000 0.05909760629287 15.999 > 1 2 O 0.77417102231884 0.25000000000000 0.05909760629287 15.999 > 1 3 O 0.27417102231884 0.25000000000000 0.55909760629287 15.999 > 1 4 O 0.77417102231884 0.25000000000000 0.55909760629287 15.999 > 1 5 O 0.47582897768116 0.75000000000000 0.30909760629287 15.999 > 2 6 O 0.97582897768116 0.75000000000000 0.30909760629287 15.999 > 2 7 O 0.47582897768116 0.75000000000000 0.80909760629287 15.999 > 2 8 O 0.97582897768116 0.75000000000000 0.80909760629287 15.999 > 2 9 O 0.02417102231884 0.25000000000000 0.19090239370713 15.999 > 3 10 O 0.52417102231884 0.25000000000000 0.19090239370713 15.999 > 3 11 O 0.02417102231884 0.25000000000000 0.69090239370713 15.999 > 3 12 O 0.52417102231884 0.25000000000000 0.69090239370713 15.999 > 3 13 O 0.22582897768116 0.75000000000000 0.44090239370713 15.999 > 4 14 O 0.72582897768116 0.75000000000000 0.44090239370713 15.999 > 4 15 O 0.22582897768116 0.75000000000000 0.94090239370713 15.999 > 4 16 O 0.72582897768116 0.75000000000000 0.94090239370713 15.999 > 4 *17 O 0.34872702801205 0.06245579876198 0.34731354915710 15.999 > 5 18 O 0.84872702801205 0.06245579876198 0.34731354915710 15.999 > 5 19 O 0.34872702801205 0.06245579876198 0.84731354915710 15.999 > 5 20 O 0.84872702801205 0.06245579876198 0.84731354915710 15.999 > 5 21 O 0.40127297198795 0.93754420123802 0.09731354915710 15.999 > 6 22 O 0.90127297198795 0.93754420123802 0.09731354915710 15.999 > 6 23 O 0.40127297198795 0.93754420123802 0.59731354915710 15.999 > 6 24 O 0.90127297198795 0.93754420123802 0.59731354915710 15.999 > 6 25 O 0.09872702801205 0.43754420123802 0.40268645084290 15.999 > 7 26 O 0.59872702801205 0.43754420123802 0.40268645084290 15.999 > 7 27 O 0.09872702801205 0.43754420123802 0.90268645084290 15.999 > 7 28 O 0.59872702801205 0.43754420123802 0.90268645084290 15.999 > 7 29 O 0.15127297198795 0.56245579876198 0.15268645084290 15.999 > 8 30 O 0.65127297198795 0.56245579876198 0.15268645084290 15.999 > 8 31 O 0.15127297198795 0.56245579876198 0.65268645084290 15.999 > 8 32 O 0.65127297198795 0.56245579876198 0.65268645084290 15.999 > 8 33 O 0.15127297198795 0.93754420123802 0.15268645084290 15.999 > 9 34 O 0.65127297198795 0.93754420123802 0.15268645084290 15.999 > 9 35 O 0.15127297198795 0.93754420123802 0.65268645084290 15.999 > 9 36 O 0.65127297198795 0.93754420123802 0.65268645084290 15.999 > 9 37 O 0.09872702801205 0.06245579876198 0.40268645084290 15.999 > 10 38 O 0.59872702801205 0.06245579876198 0.40268645084290 15.999 > 10 39 O 0.09872702801205 0.06245579876198 0.90268645084290 15.999 > 10 40 O 0.59872702801205 0.06245579876198 0.90268645084290 15.999 > 10 41 O 0.40127297198795 0.56245579876198 0.09731354915710 15.999 > 11 42 O 0.90127297198795 0.56245579876198 0.09731354915710 15.999 > 11 43 O 0.40127297198795 0.56245579876198 0.59731354915710 15.999 > 11 44 O 0.90127297198795 0.56245579876198 0.59731354915710 15.999 > 11 45 O 0.34872702801205 0.43754420123802 0.34731354915710 15.999 > 12 46 O 0.84872702801205 0.43754420123802 0.34731354915710 15.999 > 12 47 O 0.34872702801205 0.43754420123802 0.84731354915710 15.999 > 12 48 O 0.84872702801205 0.43754420123802 0.84731354915710 15.999 > 12 *49 In 0.25000000000000 0.00000000000000 0.00000000000000 114.818 > 13 50 In 0.75000000000000 0.00000000000000 0.00000000000000 114.818 > 13 51 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 13 52 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 13 53 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 14 54 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 14 55 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 14 56 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 14 57 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 15 58 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 15 59 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 15 60 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 15 61 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 16 62 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 16 63 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 16 64 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 16 *65 La 0.22151027772393 0.25000000000000 0.25877016865308 138.905 > 17 66 La 0.72151027772393 0.25000000000000 0.25877016865308 138.905 > 17 67 La 0.22151027772393 0.25000000000000 0.75877016865308 138.905 > 17 68 La 0.72151027772393 0.25000000000000 0.75877016865308 138.905 > 17 69 La 0.02848972227607 0.75000000000000 0.00877016865308 138.905 > 18 70 La 0.52848972227607 0.75000000000000 0.00877016865308 138.905 > 18 71 La 0.02848972227607 0.75000000000000 0.50877016865308 138.905 > 18 72 La 0.52848972227607 0.75000000000000 0.50877016865308 138.905 > 18 73 La 0.47151027772393 0.25000000000000 0.49122983134692 138.905 > 19 74 La 0.97151027772393 0.25000000000000 0.49122983134692 138.905 > 19 75 La 0.47151027772393 0.25000000000000 0.99122983134692 138.905 > 19 76 La 0.97151027772393 0.25000000000000 0.99122983134692 138.905 > 19 77 La 0.27848972227607 0.75000000000000 0.24122983134692 138.905 > 20 78 La 0.77848972227607 0.75000000000000 0.24122983134692 138.905 > 20 79 La 0.27848972227607 0.75000000000000 0.74122983134692 138.905 > 20 80 La 0.77848972227607 0.75000000000000 0.74122983134692 138.905 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9773418 0.0000000 0.0000000 0.0000000 4.8102656 0.0000000 0.0000000 0.0000000 4.9414833 -------------------------- Born effective charges -------------------------- 1 O -2.3267304 0.0000000 0.5075878 0.0000000 -2.4807461 0.0000000 0.5022256 0.0000000 -2.8096726 2 O -2.3267304 0.0000000 -0.5075878 0.0000000 -2.4807461 0.0000000 -0.5022256 0.0000000 -2.8096726 3 O -2.3267304 0.0000000 -0.5075878 0.0000000 -2.4807461 0.0000000 -0.5022256 0.0000000 -2.8096726 4 O -2.3267304 0.0000000 0.5075878 0.0000000 -2.4807461 0.0000000 0.5022256 0.0000000 -2.8096726 5 O -2.6885482 0.2013397 0.0183728 0.2838153 -2.3410457 -0.0163123 -0.0068148 -0.0117132 -2.4190570 6 O -2.6885482 0.2013397 -0.0183728 0.2838153 -2.3410457 0.0163123 0.0068148 0.0117132 -2.4190570 7 O -2.6885482 -0.2013397 -0.0183728 -0.2838153 -2.3410457 -0.0163123 0.0068148 -0.0117132 -2.4190570 8 O -2.6885482 -0.2013397 0.0183728 -0.2838153 -2.3410457 0.0163123 -0.0068148 0.0117132 -2.4190570 9 O -2.6885482 0.2013397 0.0183728 0.2838153 -2.3410457 -0.0163123 -0.0068148 -0.0117132 -2.4190570 10 O -2.6885482 0.2013397 -0.0183728 0.2838153 -2.3410457 0.0163123 0.0068148 0.0117132 -2.4190570 11 O -2.6885482 -0.2013397 -0.0183728 -0.2838153 -2.3410457 -0.0163123 0.0068148 -0.0117132 -2.4190570 12 O -2.6885482 -0.2013397 0.0183728 -0.2838153 -2.3410457 0.0163123 -0.0068148 0.0117132 -2.4190570 13 In 3.3740445 0.1340717 0.0752451 0.0765771 3.3526097 -0.0530700 0.1322086 -0.1384624 3.3046869 14 In 3.3740445 0.1340717 -0.0752451 0.0765771 3.3526097 0.0530700 -0.1322086 0.1384624 3.3046869 15 In 3.3740445 -0.1340717 -0.0752451 -0.0765771 3.3526097 -0.0530700 -0.1322086 -0.1384624 3.3046869 16 In 3.3740445 -0.1340717 0.0752451 -0.0765771 3.3526097 0.0530700 0.1322086 0.1384624 3.3046869 17 La 4.3297823 0.0000000 0.1585609 0.0000000 3.8102278 0.0000000 0.3198393 0.0000000 4.3430996 18 La 4.3297823 0.0000000 -0.1585609 0.0000000 3.8102278 0.0000000 -0.3198393 0.0000000 4.3430996 19 La 4.3297823 0.0000000 -0.1585609 0.0000000 3.8102278 0.0000000 -0.3198393 0.0000000 4.3430996 20 La 4.3297823 0.0000000 0.1585609 0.0000000 3.8102278 0.0000000 0.3198393 0.0000000 4.3430996 ---------------------------------------------------------------------------- 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: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.731 Solver_block: 200 / 320 - Time: 0.726 Solver_block: 300 / 320 - Time: 0.727 Solver_block: 320 / 320 - Time: 0.181 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.381 --------------------------------- 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: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), 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 2026-01-07 23:54:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947135120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218674490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.700905719999999 Atomic positions (fractional): 1 O 0.54834204463768 0.25000000000000 0.11819521258573 15.999 2 O 0.95165795536232 0.75000000000000 0.61819521258573 15.999 3 O 0.04834204463768 0.25000000000000 0.38180478741427 15.999 4 O 0.45165795536232 0.75000000000000 0.88180478741427 15.999 5 O 0.69745405602410 0.06245579876198 0.69462709831420 15.999 6 O 0.80254594397590 0.93754420123802 0.19462709831420 15.999 7 O 0.19745405602410 0.43754420123802 0.80537290168580 15.999 8 O 0.30254594397590 0.56245579876198 0.30537290168580 15.999 9 O 0.30254594397590 0.93754420123802 0.30537290168580 15.999 10 O 0.19745405602410 0.06245579876198 0.80537290168580 15.999 11 O 0.80254594397590 0.56245579876198 0.19462709831420 15.999 12 O 0.69745405602410 0.43754420123802 0.69462709831420 15.999 13 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 14 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 15 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 16 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 17 La 0.44302055544786 0.25000000000000 0.51754033730617 138.905 18 La 0.05697944455214 0.75000000000000 0.01754033730617 138.905 19 La 0.94302055544786 0.25000000000000 0.98245966269383 138.905 20 La 0.55697944455214 0.75000000000000 0.48245966269383 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.894270240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218674490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.401811439999998 Atomic positions (fractional): 1 O 0.27417102231884 0.25000000000000 0.05909760629287 15.999 > 1 2 O 0.77417102231884 0.25000000000000 0.05909760629287 15.999 > 1 3 O 0.27417102231884 0.25000000000000 0.55909760629287 15.999 > 1 4 O 0.77417102231884 0.25000000000000 0.55909760629287 15.999 > 1 5 O 0.47582897768116 0.75000000000000 0.30909760629287 15.999 > 5 6 O 0.97582897768116 0.75000000000000 0.30909760629287 15.999 > 5 7 O 0.47582897768116 0.75000000000000 0.80909760629287 15.999 > 5 8 O 0.97582897768116 0.75000000000000 0.80909760629287 15.999 > 5 9 O 0.02417102231884 0.25000000000000 0.19090239370713 15.999 > 9 10 O 0.52417102231884 0.25000000000000 0.19090239370713 15.999 > 9 11 O 0.02417102231884 0.25000000000000 0.69090239370713 15.999 > 9 12 O 0.52417102231884 0.25000000000000 0.69090239370713 15.999 > 9 13 O 0.22582897768116 0.75000000000000 0.44090239370713 15.999 > 13 14 O 0.72582897768116 0.75000000000000 0.44090239370713 15.999 > 13 15 O 0.22582897768116 0.75000000000000 0.94090239370713 15.999 > 13 16 O 0.72582897768116 0.75000000000000 0.94090239370713 15.999 > 13 17 O 0.34872702801205 0.06245579876198 0.34731354915710 15.999 > 17 18 O 0.84872702801205 0.06245579876198 0.34731354915710 15.999 > 17 19 O 0.34872702801205 0.06245579876198 0.84731354915710 15.999 > 17 20 O 0.84872702801205 0.06245579876198 0.84731354915710 15.999 > 17 21 O 0.40127297198795 0.93754420123802 0.09731354915710 15.999 > 21 22 O 0.90127297198795 0.93754420123802 0.09731354915710 15.999 > 21 23 O 0.40127297198795 0.93754420123802 0.59731354915710 15.999 > 21 24 O 0.90127297198795 0.93754420123802 0.59731354915710 15.999 > 21 25 O 0.09872702801205 0.43754420123802 0.40268645084290 15.999 > 25 26 O 0.59872702801205 0.43754420123802 0.40268645084290 15.999 > 25 27 O 0.09872702801205 0.43754420123802 0.90268645084290 15.999 > 25 28 O 0.59872702801205 0.43754420123802 0.90268645084290 15.999 > 25 29 O 0.15127297198795 0.56245579876198 0.15268645084290 15.999 > 29 30 O 0.65127297198795 0.56245579876198 0.15268645084290 15.999 > 29 31 O 0.15127297198795 0.56245579876198 0.65268645084290 15.999 > 29 32 O 0.65127297198795 0.56245579876198 0.65268645084290 15.999 > 29 33 O 0.15127297198795 0.93754420123802 0.15268645084290 15.999 > 33 34 O 0.65127297198795 0.93754420123802 0.15268645084290 15.999 > 33 35 O 0.15127297198795 0.93754420123802 0.65268645084290 15.999 > 33 36 O 0.65127297198795 0.93754420123802 0.65268645084290 15.999 > 33 37 O 0.09872702801205 0.06245579876198 0.40268645084290 15.999 > 37 38 O 0.59872702801205 0.06245579876198 0.40268645084290 15.999 > 37 39 O 0.09872702801205 0.06245579876198 0.90268645084290 15.999 > 37 40 O 0.59872702801205 0.06245579876198 0.90268645084290 15.999 > 37 41 O 0.40127297198795 0.56245579876198 0.09731354915710 15.999 > 41 42 O 0.90127297198795 0.56245579876198 0.09731354915710 15.999 > 41 43 O 0.40127297198795 0.56245579876198 0.59731354915710 15.999 > 41 44 O 0.90127297198795 0.56245579876198 0.59731354915710 15.999 > 41 45 O 0.34872702801205 0.43754420123802 0.34731354915710 15.999 > 45 46 O 0.84872702801205 0.43754420123802 0.34731354915710 15.999 > 45 47 O 0.34872702801205 0.43754420123802 0.84731354915710 15.999 > 45 48 O 0.84872702801205 0.43754420123802 0.84731354915710 15.999 > 45 49 In 0.25000000000000 0.00000000000000 0.00000000000000 114.818 > 49 50 In 0.75000000000000 0.00000000000000 0.00000000000000 114.818 > 49 51 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 49 52 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 49 53 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 53 54 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 53 55 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 53 56 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 53 57 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 57 58 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 57 59 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 57 60 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 57 61 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 61 62 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 61 63 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 61 64 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 61 65 La 0.22151027772393 0.25000000000000 0.25877016865308 138.905 > 65 66 La 0.72151027772393 0.25000000000000 0.25877016865308 138.905 > 65 67 La 0.22151027772393 0.25000000000000 0.75877016865308 138.905 > 65 68 La 0.72151027772393 0.25000000000000 0.75877016865308 138.905 > 65 69 La 0.02848972227607 0.75000000000000 0.00877016865308 138.905 > 69 70 La 0.52848972227607 0.75000000000000 0.00877016865308 138.905 > 69 71 La 0.02848972227607 0.75000000000000 0.50877016865308 138.905 > 69 72 La 0.52848972227607 0.75000000000000 0.50877016865308 138.905 > 69 73 La 0.47151027772393 0.25000000000000 0.49122983134692 138.905 > 73 74 La 0.97151027772393 0.25000000000000 0.49122983134692 138.905 > 73 75 La 0.47151027772393 0.25000000000000 0.99122983134692 138.905 > 73 76 La 0.97151027772393 0.25000000000000 0.99122983134692 138.905 > 73 77 La 0.27848972227607 0.75000000000000 0.24122983134692 138.905 > 77 78 La 0.77848972227607 0.75000000000000 0.24122983134692 138.905 > 77 79 La 0.27848972227607 0.75000000000000 0.74122983134692 138.905 > 77 80 La 0.77848972227607 0.75000000000000 0.74122983134692 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9773418 0.0000000 0.0000000 0.0000000 4.8102656 0.0000000 0.0000000 0.0000000 4.9414833 -------------------------- Born effective charges -------------------------- 1 O -2.3267304 0.0000000 0.5075878 0.0000000 -2.4807461 0.0000000 0.5022256 0.0000000 -2.8096726 2 O -2.3267304 0.0000000 -0.5075878 0.0000000 -2.4807461 0.0000000 -0.5022256 0.0000000 -2.8096726 3 O -2.3267304 0.0000000 -0.5075878 0.0000000 -2.4807461 0.0000000 -0.5022256 0.0000000 -2.8096726 4 O -2.3267304 0.0000000 0.5075878 0.0000000 -2.4807461 0.0000000 0.5022256 0.0000000 -2.8096726 5 O -2.6885482 0.2013397 0.0183728 0.2838153 -2.3410457 -0.0163123 -0.0068148 -0.0117132 -2.4190570 6 O -2.6885482 0.2013397 -0.0183728 0.2838153 -2.3410457 0.0163123 0.0068148 0.0117132 -2.4190570 7 O -2.6885482 -0.2013397 -0.0183728 -0.2838153 -2.3410457 -0.0163123 0.0068148 -0.0117132 -2.4190570 8 O -2.6885482 -0.2013397 0.0183728 -0.2838153 -2.3410457 0.0163123 -0.0068148 0.0117132 -2.4190570 9 O -2.6885482 0.2013397 0.0183728 0.2838153 -2.3410457 -0.0163123 -0.0068148 -0.0117132 -2.4190570 10 O -2.6885482 0.2013397 -0.0183728 0.2838153 -2.3410457 0.0163123 0.0068148 0.0117132 -2.4190570 11 O -2.6885482 -0.2013397 -0.0183728 -0.2838153 -2.3410457 -0.0163123 0.0068148 -0.0117132 -2.4190570 12 O -2.6885482 -0.2013397 0.0183728 -0.2838153 -2.3410457 0.0163123 -0.0068148 0.0117132 -2.4190570 13 In 3.3740445 0.1340717 0.0752451 0.0765771 3.3526097 -0.0530700 0.1322086 -0.1384624 3.3046869 14 In 3.3740445 0.1340717 -0.0752451 0.0765771 3.3526097 0.0530700 -0.1322086 0.1384624 3.3046869 15 In 3.3740445 -0.1340717 -0.0752451 -0.0765771 3.3526097 -0.0530700 -0.1322086 -0.1384624 3.3046869 16 In 3.3740445 -0.1340717 0.0752451 -0.0765771 3.3526097 0.0530700 0.1322086 0.1384624 3.3046869 17 La 4.3297823 0.0000000 0.1585609 0.0000000 3.8102278 0.0000000 0.3198393 0.0000000 4.3430996 18 La 4.3297823 0.0000000 -0.1585609 0.0000000 3.8102278 0.0000000 -0.3198393 0.0000000 4.3430996 19 La 4.3297823 0.0000000 -0.1585609 0.0000000 3.8102278 0.0000000 -0.3198393 0.0000000 4.3430996 20 La 4.3297823 0.0000000 0.1585609 0.0000000 3.8102278 0.0000000 0.3198393 0.0000000 4.3430996 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xz) -0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:54:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947135120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218674490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.700905719999999 Atomic positions (fractional): 1 O 0.54834204463768 0.25000000000000 0.11819521258573 15.999 2 O 0.95165795536232 0.75000000000000 0.61819521258573 15.999 3 O 0.04834204463768 0.25000000000000 0.38180478741427 15.999 4 O 0.45165795536232 0.75000000000000 0.88180478741427 15.999 5 O 0.69745405602410 0.06245579876198 0.69462709831420 15.999 6 O 0.80254594397590 0.93754420123802 0.19462709831420 15.999 7 O 0.19745405602410 0.43754420123802 0.80537290168580 15.999 8 O 0.30254594397590 0.56245579876198 0.30537290168580 15.999 9 O 0.30254594397590 0.93754420123802 0.30537290168580 15.999 10 O 0.19745405602410 0.06245579876198 0.80537290168580 15.999 11 O 0.80254594397590 0.56245579876198 0.19462709831420 15.999 12 O 0.69745405602410 0.43754420123802 0.69462709831420 15.999 13 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 14 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 15 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 16 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 17 La 0.44302055544786 0.25000000000000 0.51754033730617 138.905 18 La 0.05697944455214 0.75000000000000 0.01754033730617 138.905 19 La 0.94302055544786 0.25000000000000 0.98245966269383 138.905 20 La 0.55697944455214 0.75000000000000 0.48245966269383 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.894270240000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.218674490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.401811439999998 Atomic positions (fractional): 1 O 0.27417102231884 0.25000000000000 0.05909760629287 15.999 > 1 2 O 0.77417102231884 0.25000000000000 0.05909760629287 15.999 > 1 3 O 0.27417102231884 0.25000000000000 0.55909760629287 15.999 > 1 4 O 0.77417102231884 0.25000000000000 0.55909760629287 15.999 > 1 5 O 0.47582897768116 0.75000000000000 0.30909760629287 15.999 > 5 6 O 0.97582897768116 0.75000000000000 0.30909760629287 15.999 > 5 7 O 0.47582897768116 0.75000000000000 0.80909760629287 15.999 > 5 8 O 0.97582897768116 0.75000000000000 0.80909760629287 15.999 > 5 9 O 0.02417102231884 0.25000000000000 0.19090239370713 15.999 > 9 10 O 0.52417102231884 0.25000000000000 0.19090239370713 15.999 > 9 11 O 0.02417102231884 0.25000000000000 0.69090239370713 15.999 > 9 12 O 0.52417102231884 0.25000000000000 0.69090239370713 15.999 > 9 13 O 0.22582897768116 0.75000000000000 0.44090239370713 15.999 > 13 14 O 0.72582897768116 0.75000000000000 0.44090239370713 15.999 > 13 15 O 0.22582897768116 0.75000000000000 0.94090239370713 15.999 > 13 16 O 0.72582897768116 0.75000000000000 0.94090239370713 15.999 > 13 17 O 0.34872702801205 0.06245579876198 0.34731354915710 15.999 > 17 18 O 0.84872702801205 0.06245579876198 0.34731354915710 15.999 > 17 19 O 0.34872702801205 0.06245579876198 0.84731354915710 15.999 > 17 20 O 0.84872702801205 0.06245579876198 0.84731354915710 15.999 > 17 21 O 0.40127297198795 0.93754420123802 0.09731354915710 15.999 > 21 22 O 0.90127297198795 0.93754420123802 0.09731354915710 15.999 > 21 23 O 0.40127297198795 0.93754420123802 0.59731354915710 15.999 > 21 24 O 0.90127297198795 0.93754420123802 0.59731354915710 15.999 > 21 25 O 0.09872702801205 0.43754420123802 0.40268645084290 15.999 > 25 26 O 0.59872702801205 0.43754420123802 0.40268645084290 15.999 > 25 27 O 0.09872702801205 0.43754420123802 0.90268645084290 15.999 > 25 28 O 0.59872702801205 0.43754420123802 0.90268645084290 15.999 > 25 29 O 0.15127297198795 0.56245579876198 0.15268645084290 15.999 > 29 30 O 0.65127297198795 0.56245579876198 0.15268645084290 15.999 > 29 31 O 0.15127297198795 0.56245579876198 0.65268645084290 15.999 > 29 32 O 0.65127297198795 0.56245579876198 0.65268645084290 15.999 > 29 33 O 0.15127297198795 0.93754420123802 0.15268645084290 15.999 > 33 34 O 0.65127297198795 0.93754420123802 0.15268645084290 15.999 > 33 35 O 0.15127297198795 0.93754420123802 0.65268645084290 15.999 > 33 36 O 0.65127297198795 0.93754420123802 0.65268645084290 15.999 > 33 37 O 0.09872702801205 0.06245579876198 0.40268645084290 15.999 > 37 38 O 0.59872702801205 0.06245579876198 0.40268645084290 15.999 > 37 39 O 0.09872702801205 0.06245579876198 0.90268645084290 15.999 > 37 40 O 0.59872702801205 0.06245579876198 0.90268645084290 15.999 > 37 41 O 0.40127297198795 0.56245579876198 0.09731354915710 15.999 > 41 42 O 0.90127297198795 0.56245579876198 0.09731354915710 15.999 > 41 43 O 0.40127297198795 0.56245579876198 0.59731354915710 15.999 > 41 44 O 0.90127297198795 0.56245579876198 0.59731354915710 15.999 > 41 45 O 0.34872702801205 0.43754420123802 0.34731354915710 15.999 > 45 46 O 0.84872702801205 0.43754420123802 0.34731354915710 15.999 > 45 47 O 0.34872702801205 0.43754420123802 0.84731354915710 15.999 > 45 48 O 0.84872702801205 0.43754420123802 0.84731354915710 15.999 > 45 49 In 0.25000000000000 0.00000000000000 0.00000000000000 114.818 > 49 50 In 0.75000000000000 0.00000000000000 0.00000000000000 114.818 > 49 51 In 0.25000000000000 0.00000000000000 0.50000000000000 114.818 > 49 52 In 0.75000000000000 0.00000000000000 0.50000000000000 114.818 > 49 53 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 53 54 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 53 55 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 53 56 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 53 57 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 57 58 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 57 59 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 57 60 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 57 61 In 0.25000000000000 0.50000000000000 0.00000000000000 114.818 > 61 62 In 0.75000000000000 0.50000000000000 0.00000000000000 114.818 > 61 63 In 0.25000000000000 0.50000000000000 0.50000000000000 114.818 > 61 64 In 0.75000000000000 0.50000000000000 0.50000000000000 114.818 > 61 65 La 0.22151027772393 0.25000000000000 0.25877016865308 138.905 > 65 66 La 0.72151027772393 0.25000000000000 0.25877016865308 138.905 > 65 67 La 0.22151027772393 0.25000000000000 0.75877016865308 138.905 > 65 68 La 0.72151027772393 0.25000000000000 0.75877016865308 138.905 > 65 69 La 0.02848972227607 0.75000000000000 0.00877016865308 138.905 > 69 70 La 0.52848972227607 0.75000000000000 0.00877016865308 138.905 > 69 71 La 0.02848972227607 0.75000000000000 0.50877016865308 138.905 > 69 72 La 0.52848972227607 0.75000000000000 0.50877016865308 138.905 > 69 73 La 0.47151027772393 0.25000000000000 0.49122983134692 138.905 > 73 74 La 0.97151027772393 0.25000000000000 0.49122983134692 138.905 > 73 75 La 0.47151027772393 0.25000000000000 0.99122983134692 138.905 > 73 76 La 0.97151027772393 0.25000000000000 0.99122983134692 138.905 > 73 77 La 0.27848972227607 0.75000000000000 0.24122983134692 138.905 > 77 78 La 0.77848972227607 0.75000000000000 0.24122983134692 138.905 > 77 79 La 0.27848972227607 0.75000000000000 0.74122983134692 138.905 > 77 80 La 0.77848972227607 0.75000000000000 0.74122983134692 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9773418 0.0000000 0.0000000 0.0000000 4.8102656 0.0000000 0.0000000 0.0000000 4.9414833 -------------------------- Born effective charges -------------------------- 1 O -2.3267304 0.0000000 0.5075878 0.0000000 -2.4807461 0.0000000 0.5022256 0.0000000 -2.8096726 2 O -2.3267304 0.0000000 -0.5075878 0.0000000 -2.4807461 0.0000000 -0.5022256 0.0000000 -2.8096726 3 O -2.3267304 0.0000000 -0.5075878 0.0000000 -2.4807461 0.0000000 -0.5022256 0.0000000 -2.8096726 4 O -2.3267304 0.0000000 0.5075878 0.0000000 -2.4807461 0.0000000 0.5022256 0.0000000 -2.8096726 5 O -2.6885482 0.2013397 0.0183728 0.2838153 -2.3410457 -0.0163123 -0.0068148 -0.0117132 -2.4190570 6 O -2.6885482 0.2013397 -0.0183728 0.2838153 -2.3410457 0.0163123 0.0068148 0.0117132 -2.4190570 7 O -2.6885482 -0.2013397 -0.0183728 -0.2838153 -2.3410457 -0.0163123 0.0068148 -0.0117132 -2.4190570 8 O -2.6885482 -0.2013397 0.0183728 -0.2838153 -2.3410457 0.0163123 -0.0068148 0.0117132 -2.4190570 9 O -2.6885482 0.2013397 0.0183728 0.2838153 -2.3410457 -0.0163123 -0.0068148 -0.0117132 -2.4190570 10 O -2.6885482 0.2013397 -0.0183728 0.2838153 -2.3410457 0.0163123 0.0068148 0.0117132 -2.4190570 11 O -2.6885482 -0.2013397 -0.0183728 -0.2838153 -2.3410457 -0.0163123 0.0068148 -0.0117132 -2.4190570 12 O -2.6885482 -0.2013397 0.0183728 -0.2838153 -2.3410457 0.0163123 -0.0068148 0.0117132 -2.4190570 13 In 3.3740445 0.1340717 0.0752451 0.0765771 3.3526097 -0.0530700 0.1322086 -0.1384624 3.3046869 14 In 3.3740445 0.1340717 -0.0752451 0.0765771 3.3526097 0.0530700 -0.1322086 0.1384624 3.3046869 15 In 3.3740445 -0.1340717 -0.0752451 -0.0765771 3.3526097 -0.0530700 -0.1322086 -0.1384624 3.3046869 16 In 3.3740445 -0.1340717 0.0752451 -0.0765771 3.3526097 0.0530700 0.1322086 0.1384624 3.3046869 17 La 4.3297823 0.0000000 0.1585609 0.0000000 3.8102278 0.0000000 0.3198393 0.0000000 4.3430996 18 La 4.3297823 0.0000000 -0.1585609 0.0000000 3.8102278 0.0000000 -0.3198393 0.0000000 4.3430996 19 La 4.3297823 0.0000000 -0.1585609 0.0000000 3.8102278 0.0000000 -0.3198393 0.0000000 4.3430996 20 La 4.3297823 0.0000000 0.1585609 0.0000000 3.8102278 0.0000000 0.3198393 0.0000000 4.3430996 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yzy) 0.00000004 (yzy) 0.00000004 (yyz) 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 ... [ 8 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 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 2.000 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.764 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 10.267 ( 0.000 0.000 0.000) 0.000 10.770 ( 0.000 0.000 0.000) 0.000 10.818 ( 0.000 0.000 0.000) 0.000 11.257 ( 0.000 0.000 0.000) 0.000 11.271 ( 0.000 0.000 0.000) 0.000 11.489 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.846 ( 0.000 0.000 0.000) 0.000 12.341 ( 0.000 0.000 0.000) 0.000 13.660 ( 0.000 0.000 0.000) 0.000 14.089 ( 0.000 0.000 0.000) 0.000 14.236 ( 0.000 0.000 0.000) 0.000 14.279 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 14.919 ( 0.000 0.000 0.000) 0.000 15.084 ( 0.000 0.000 0.000) 0.000 15.481 ( 0.000 0.000 0.000) 0.000 16.035 ( 0.000 0.000 0.000) 0.000 16.270 ( 0.000 0.000 0.000) 0.000 17.516 ( 0.000 0.000 0.000) 0.000 17.689 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 27.820 0.000 0.000) 27.820 0.667 ( 31.258 0.000 0.000) 31.258 1.196 ( 54.891 0.000 0.000) 54.891 2.057 ( 5.145 0.000 0.000) 5.145 2.841 ( -8.889 0.000 0.000) 8.889 3.006 ( -1.248 0.000 0.000) 1.248 3.032 ( -9.527 0.000 0.000) 9.527 3.082 ( -0.033 0.000 0.000) 0.033 3.084 ( -10.314 0.000 0.000) 10.314 3.210 ( 2.436 0.000 0.000) 2.436 3.407 ( 4.901 0.000 0.000) 4.901 3.493 ( -2.653 0.000 0.000) 2.653 3.614 ( -1.806 0.000 0.000) 1.806 3.655 ( 4.977 0.000 0.000) 4.977 4.029 ( 9.948 0.000 0.000) 9.948 4.205 ( 9.389 0.000 0.000) 9.389 4.379 ( -15.450 0.000 0.000) 15.450 4.466 ( -4.146 0.000 0.000) 4.146 5.062 ( -1.294 0.000 0.000) 1.294 5.197 ( -6.571 0.000 0.000) 6.571 5.583 ( 2.814 0.000 0.000) 2.814 5.651 ( 2.742 0.000 0.000) 2.742 5.742 ( 14.585 0.000 0.000) 14.585 5.919 ( -5.312 0.000 0.000) 5.312 6.113 ( 0.665 0.000 0.000) 0.665 6.164 ( -11.766 0.000 0.000) 11.766 6.494 ( -1.766 0.000 0.000) 1.766 6.856 ( -2.172 0.000 0.000) 2.172 7.059 ( -8.039 0.000 0.000) 8.039 7.233 ( 5.251 0.000 0.000) 5.251 7.359 ( -0.158 0.000 0.000) 0.158 7.630 ( -0.721 0.000 0.000) 0.721 7.971 ( 6.086 0.000 0.000) 6.086 8.743 ( -7.419 0.000 0.000) 7.419 9.092 ( 2.111 0.000 0.000) 2.111 9.219 ( 2.158 0.000 0.000) 2.158 9.818 ( 4.537 0.000 0.000) 4.537 9.823 ( -2.351 0.000 0.000) 2.351 10.084 ( -14.318 0.000 0.000) 14.318 10.317 ( 4.671 0.000 0.000) 4.671 10.753 ( -1.210 0.000 0.000) 1.210 11.198 ( -5.776 0.000 0.000) 5.776 11.289 ( 0.569 0.000 0.000) 0.569 11.445 ( -4.146 0.000 0.000) 4.146 11.786 ( 8.138 0.000 0.000) 8.138 12.046 ( 18.388 0.000 0.000) 18.388 12.454 ( 12.434 0.000 0.000) 12.434 12.611 ( 18.107 0.000 0.000) 18.107 13.623 ( -2.830 0.000 0.000) 2.830 14.295 ( 4.741 0.000 0.000) 4.741 14.303 ( 2.055 0.000 0.000) 2.055 14.438 ( 0.411 0.000 0.000) 0.411 14.572 ( -18.162 0.000 0.000) 18.162 14.843 ( -2.848 0.000 0.000) 2.848 15.407 ( -7.039 0.000 0.000) 7.039 15.951 ( -8.121 0.000 0.000) 8.121 16.455 ( 14.924 0.000 0.000) 14.924 17.523 ( 0.748 0.000 0.000) 0.748 17.672 ( -1.670 0.000 0.000) 1.670 17.845 ( -1.597 0.000 0.000) 1.597 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 25.801 0.000 0.000) 25.801 1.302 ( 28.787 0.000 0.000) 28.787 2.188 ( 6.134 0.000 0.000) 6.134 2.203 ( 34.185 0.000 0.000) 34.185 2.663 ( -5.693 0.000 0.000) 5.693 2.727 ( -16.130 0.000 0.000) 16.130 2.840 ( -11.392 0.000 0.000) 11.392 3.001 ( 5.412 0.000 0.000) 5.412 3.065 ( -1.830 0.000 0.000) 1.830 3.290 ( 5.184 0.000 0.000) 5.184 3.386 ( -7.400 0.000 0.000) 7.400 3.455 ( -2.165 0.000 0.000) 2.165 3.558 ( -3.305 0.000 0.000) 3.305 3.931 ( 20.011 0.000 0.000) 20.011 3.944 ( -22.167 0.000 0.000) 22.167 4.297 ( 14.686 0.000 0.000) 14.686 4.331 ( -7.615 0.000 0.000) 7.615 4.516 ( 17.244 0.000 0.000) 17.244 5.040 ( -0.337 0.000 0.000) 0.337 5.099 ( -3.089 0.000 0.000) 3.089 5.663 ( -2.905 0.000 0.000) 2.905 5.682 ( 5.286 0.000 0.000) 5.286 5.819 ( -2.920 0.000 0.000) 2.920 5.868 ( -15.527 0.000 0.000) 15.527 5.903 ( -2.155 0.000 0.000) 2.155 6.130 ( 0.758 0.000 0.000) 0.758 6.556 ( 9.846 0.000 0.000) 9.846 6.748 ( -8.029 0.000 0.000) 8.029 6.802 ( -15.274 0.000 0.000) 15.274 7.317 ( 1.746 0.000 0.000) 1.746 7.377 ( 1.967 0.000 0.000) 1.967 7.628 ( 0.091 0.000 0.000) 0.091 8.097 ( 5.558 0.000 0.000) 5.558 8.591 ( -6.608 0.000 0.000) 6.608 9.113 ( 0.114 0.000 0.000) 0.114 9.285 ( 4.107 0.000 0.000) 4.107 9.734 ( -17.353 0.000 0.000) 17.353 9.752 ( -4.358 0.000 0.000) 4.358 9.964 ( 9.226 0.000 0.000) 9.226 10.453 ( 7.840 0.000 0.000) 7.840 10.740 ( 0.227 0.000 0.000) 0.227 11.020 ( -10.788 0.000 0.000) 10.788 11.261 ( -3.345 0.000 0.000) 3.345 11.322 ( -7.160 0.000 0.000) 7.160 12.044 ( 16.149 0.000 0.000) 16.149 12.574 ( 30.499 0.000 0.000) 30.499 12.795 ( 17.557 0.000 0.000) 17.557 13.128 ( 30.724 0.000 0.000) 30.724 13.563 ( -2.774 0.000 0.000) 2.774 14.081 ( -26.350 0.000 0.000) 26.350 14.350 ( 1.747 0.000 0.000) 1.747 14.396 ( 4.189 0.000 0.000) 4.189 14.450 ( 0.687 0.000 0.000) 0.687 14.803 ( -1.630 0.000 0.000) 1.630 15.187 ( -13.611 0.000 0.000) 13.611 15.690 ( -16.816 0.000 0.000) 16.816 16.799 ( 16.371 0.000 0.000) 16.371 17.549 ( 1.687 0.000 0.000) 1.687 17.617 ( -3.628 0.000 0.000) 3.628 17.798 ( -2.790 0.000 0.000) 2.790 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 22.414 0.000 0.000) 22.414 1.853 ( 22.503 0.000 0.000) 22.503 2.246 ( -1.695 0.000 0.000) 1.695 2.368 ( -8.105 0.000 0.000) 8.105 2.454 ( -7.844 0.000 0.000) 7.844 2.655 ( 2.620 0.000 0.000) 2.620 2.660 ( -6.014 0.000 0.000) 6.014 2.992 ( -5.896 0.000 0.000) 5.896 3.219 ( -6.415 0.000 0.000) 6.415 3.316 ( 7.609 0.000 0.000) 7.609 3.350 ( -6.988 0.000 0.000) 6.988 3.411 ( 3.745 0.000 0.000) 3.745 3.525 ( -12.951 0.000 0.000) 12.951 3.555 ( 7.383 0.000 0.000) 7.383 4.279 ( 8.938 0.000 0.000) 8.938 4.377 ( 20.260 0.000 0.000) 20.260 4.593 ( 11.575 0.000 0.000) 11.575 4.878 ( 13.921 0.000 0.000) 13.921 5.057 ( -0.784 0.000 0.000) 0.784 5.069 ( 3.341 0.000 0.000) 3.341 5.489 ( -12.772 0.000 0.000) 12.772 5.542 ( -14.206 0.000 0.000) 14.206 5.656 ( -6.778 0.000 0.000) 6.778 5.709 ( -13.505 0.000 0.000) 13.505 5.897 ( 7.646 0.000 0.000) 7.646 6.126 ( -1.686 0.000 0.000) 1.686 6.511 ( -9.791 0.000 0.000) 9.791 6.557 ( -8.735 0.000 0.000) 8.735 6.841 ( 14.728 0.000 0.000) 14.728 7.286 ( -4.799 0.000 0.000) 4.799 7.438 ( 3.743 0.000 0.000) 3.743 7.606 ( -2.578 0.000 0.000) 2.578 8.215 ( 5.914 0.000 0.000) 5.914 8.466 ( -5.591 0.000 0.000) 5.591 9.119 ( 1.194 0.000 0.000) 1.194 9.389 ( 5.624 0.000 0.000) 5.624 9.404 ( -13.299 0.000 0.000) 13.299 9.644 ( -5.783 0.000 0.000) 5.783 10.196 ( 12.515 0.000 0.000) 12.515 10.626 ( 8.042 0.000 0.000) 8.042 10.759 ( 1.201 0.000 0.000) 1.201 10.763 ( -13.266 0.000 0.000) 13.266 11.165 ( -5.132 0.000 0.000) 5.132 11.170 ( -6.449 0.000 0.000) 6.449 12.449 ( 21.955 0.000 0.000) 21.955 13.132 ( 13.861 0.000 0.000) 13.861 13.266 ( 33.621 0.000 0.000) 33.621 13.495 ( -4.187 0.000 0.000) 4.187 13.512 ( -27.043 0.000 0.000) 27.043 13.851 ( 36.266 0.000 0.000) 36.266 14.317 ( -7.690 0.000 0.000) 7.690 14.456 ( 1.478 0.000 0.000) 1.478 14.467 ( 1.027 0.000 0.000) 1.027 14.768 ( -1.623 0.000 0.000) 1.623 14.882 ( -12.746 0.000 0.000) 12.746 15.242 ( -25.776 0.000 0.000) 25.776 17.114 ( 13.280 0.000 0.000) 13.280 17.515 ( -6.161 0.000 0.000) 6.161 17.595 ( 2.700 0.000 0.000) 2.700 17.732 ( -3.406 0.000 0.000) 3.406 ======================= Grid point 4 (5/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -17.246 0.000 0.000) 17.246 2.090 ( 17.246 0.000 0.000) 17.246 2.158 ( -6.428 0.000 0.000) 6.428 2.158 ( 6.428 0.000 0.000) 6.428 2.487 ( -9.869 0.000 0.000) 9.869 2.487 ( 9.869 0.000 0.000) 9.869 2.801 ( -10.428 0.000 0.000) 10.428 2.801 ( 10.428 0.000 0.000) 10.428 3.206 ( -5.030 0.000 0.000) 5.030 3.206 ( 5.030 0.000 0.000) 5.030 3.325 ( -0.979 0.000 0.000) 0.979 3.325 ( 0.979 0.000 0.000) 0.979 3.581 ( -5.352 0.000 0.000) 5.352 3.581 ( 5.352 0.000 0.000) 5.352 4.679 ( -5.533 0.000 0.000) 5.533 4.679 ( 5.533 0.000 0.000) 5.533 4.748 ( -25.801 0.000 0.000) 25.801 4.748 ( 25.801 0.000 0.000) 25.801 5.091 ( -3.662 0.000 0.000) 3.662 5.091 ( 3.662 0.000 0.000) 3.662 5.439 ( -8.351 0.000 0.000) 8.351 5.439 ( 8.351 0.000 0.000) 8.351 5.453 ( -10.587 0.000 0.000) 10.587 5.453 ( 10.587 0.000 0.000) 10.587 6.045 ( -5.863 0.000 0.000) 5.863 6.045 ( 5.863 0.000 0.000) 5.863 6.435 ( -1.908 0.000 0.000) 1.908 6.435 ( 1.908 0.000 0.000) 1.908 7.118 ( -10.967 0.000 0.000) 10.967 7.118 ( 10.967 0.000 0.000) 10.967 7.527 ( -4.426 0.000 0.000) 4.426 7.527 ( 4.426 0.000 0.000) 4.426 8.344 ( -6.113 0.000 0.000) 6.113 8.344 ( 6.113 0.000 0.000) 6.113 9.194 ( -6.519 0.000 0.000) 6.519 9.194 ( 6.519 0.000 0.000) 6.519 9.515 ( -6.271 0.000 0.000) 6.271 9.515 ( 6.271 0.000 0.000) 6.271 10.476 ( -13.763 0.000 0.000) 13.763 10.476 ( 13.763 0.000 0.000) 13.763 10.753 ( -3.009 0.000 0.000) 3.009 10.753 ( 3.009 0.000 0.000) 3.009 11.094 ( -0.143 0.000 0.000) 0.143 11.094 ( 0.143 0.000 0.000) 0.143 12.952 ( -25.569 0.000 0.000) 25.569 12.952 ( 25.569 0.000 0.000) 25.569 13.367 ( -8.442 0.000 0.000) 8.442 13.367 ( 8.442 0.000 0.000) 8.442 13.931 ( -27.467 0.000 0.000) 27.467 13.931 ( 27.467 0.000 0.000) 27.467 14.450 ( -4.391 0.000 0.000) 4.391 14.450 ( 4.391 0.000 0.000) 4.391 14.629 ( -29.446 0.000 0.000) 29.446 14.629 ( 29.446 0.000 0.000) 29.446 14.751 ( -0.882 0.000 0.000) 0.882 14.751 ( 0.882 0.000 0.000) 0.882 17.352 ( -9.463 0.000 0.000) 9.463 17.352 ( 9.463 0.000 0.000) 9.463 17.660 ( -3.373 0.000 0.000) 3.373 17.660 ( 3.373 0.000 0.000) 3.373 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.000 26.425 0.000) 26.425 0.639 ( 0.000 31.101 0.000) 31.101 1.064 ( 0.000 50.442 0.000) 50.442 2.024 ( 0.000 0.336 0.000) 0.336 2.685 ( 0.000 -12.600 0.000) 12.600 2.757 ( 0.000 -17.647 0.000) 17.647 2.981 ( 0.000 -6.090 0.000) 6.090 3.135 ( 0.000 -2.223 0.000) 2.223 3.313 ( 0.000 7.567 0.000) 7.567 3.392 ( 0.000 -15.430 0.000) 15.430 3.531 ( 0.000 10.768 0.000) 10.768 3.561 ( 0.000 10.715 0.000) 10.715 3.620 ( 0.000 7.472 0.000) 7.472 3.979 ( 0.000 5.647 0.000) 5.647 4.057 ( 0.000 -3.817 0.000) 3.817 4.343 ( 0.000 -3.211 0.000) 3.211 4.463 ( 0.000 -8.086 0.000) 8.086 4.599 ( 0.000 16.781 0.000) 16.781 5.116 ( 0.000 3.935 0.000) 3.935 5.137 ( 0.000 -10.336 0.000) 10.336 5.410 ( 0.000 1.361 0.000) 1.361 5.491 ( 0.000 -11.219 0.000) 11.219 5.837 ( 0.000 -12.239 0.000) 12.239 6.006 ( 0.000 -9.142 0.000) 9.142 6.402 ( 0.000 9.026 0.000) 9.026 6.488 ( 0.000 7.315 0.000) 7.315 6.810 ( 0.000 -2.071 0.000) 2.071 6.998 ( 0.000 1.371 0.000) 1.371 7.156 ( 0.000 1.586 0.000) 1.586 7.187 ( 0.000 1.924 0.000) 1.924 7.307 ( 0.000 -5.615 0.000) 5.615 7.382 ( 0.000 -4.471 0.000) 4.471 7.759 ( 0.000 -0.338 0.000) 0.338 7.875 ( 0.000 -1.537 0.000) 1.537 8.849 ( 0.000 0.300 0.000) 0.300 9.016 ( 0.000 -3.039 0.000) 3.039 9.363 ( 0.000 15.333 0.000) 15.333 9.925 ( 0.000 7.039 0.000) 7.039 10.275 ( 0.000 0.703 0.000) 0.703 10.732 ( 0.000 -4.069 0.000) 4.069 10.824 ( 0.000 0.586 0.000) 0.586 11.184 ( 0.000 -7.992 0.000) 7.992 11.339 ( 0.000 6.473 0.000) 6.473 11.485 ( 0.000 -0.359 0.000) 0.359 11.830 ( 0.000 13.079 0.000) 13.079 11.870 ( 0.000 2.297 0.000) 2.297 12.279 ( 0.000 -5.347 0.000) 5.347 13.408 ( 0.000 7.930 0.000) 7.930 13.681 ( 0.000 2.323 0.000) 2.323 14.007 ( 0.000 -18.852 0.000) 18.852 14.053 ( 0.000 -3.502 0.000) 3.502 14.272 ( 0.000 -3.976 0.000) 3.976 14.865 ( 0.000 1.571 0.000) 1.571 15.069 ( 0.000 -1.481 0.000) 1.481 15.480 ( 0.000 0.578 0.000) 0.578 15.974 ( 0.000 -5.701 0.000) 5.701 16.310 ( 0.000 3.743 0.000) 3.743 16.766 ( 0.000 -3.153 0.000) 3.153 17.577 ( 0.000 5.307 0.000) 5.307 17.715 ( 0.000 2.243 0.000) 2.243 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 18.080 15.349 0.000) 23.717 0.816 ( 19.320 17.400 0.000) 26.000 1.638 ( 41.180 33.907 0.000) 53.343 2.052 ( 2.761 -1.938 0.000) 3.373 2.619 ( -6.010 -13.235 0.000) 14.536 2.684 ( -6.475 -16.528 0.000) 17.751 2.973 ( -1.133 -7.033 0.000) 7.124 3.069 ( -6.904 -1.773 0.000) 7.128 3.269 ( -2.240 6.160 0.000) 6.555 3.355 ( -5.547 -0.374 0.000) 5.559 3.383 ( -5.187 -1.605 0.000) 5.430 3.624 ( -0.165 9.587 0.000) 9.589 3.703 ( 9.995 9.883 0.000) 14.056 4.023 ( 2.296 -2.043 0.000) 3.073 4.090 ( -22.098 32.855 0.000) 39.595 4.188 ( 10.780 -2.699 0.000) 11.113 4.338 ( -7.917 -0.408 0.000) 7.927 4.343 ( -2.764 -6.864 0.000) 7.400 5.106 ( -0.392 4.441 0.000) 4.459 5.188 ( 2.073 -5.129 0.000) 5.532 5.536 ( 4.682 -4.275 0.000) 6.340 5.546 ( 3.768 -10.005 0.000) 10.691 5.763 ( -5.568 -11.673 0.000) 12.933 6.011 ( 0.179 -8.675 0.000) 8.677 6.015 ( -8.533 18.715 0.000) 20.568 6.267 ( -11.146 8.639 0.000) 14.102 6.649 ( -3.978 11.233 0.000) 11.917 6.838 ( -1.319 -1.301 0.000) 1.853 7.035 ( -10.510 -2.813 0.000) 10.880 7.254 ( 4.645 1.619 0.000) 4.919 7.333 ( 1.678 -2.053 0.000) 2.651 7.555 ( -0.490 -7.074 0.000) 7.091 7.975 ( 8.332 0.569 0.000) 8.351 8.758 ( -6.569 1.399 0.000) 6.717 8.836 ( 39.189 -39.160 0.000) 55.401 9.052 ( 1.744 -3.660 0.000) 4.054 9.394 ( 2.981 14.631 0.000) 14.931 9.906 ( -1.788 7.641 0.000) 7.847 10.324 ( 4.494 0.499 0.000) 4.521 10.572 ( -15.817 9.422 0.000) 18.411 10.736 ( -1.399 -1.103 0.000) 1.781 11.212 ( 0.729 -7.552 0.000) 7.588 11.260 ( -7.072 4.964 0.000) 8.640 11.440 ( -4.337 -0.419 0.000) 4.357 11.912 ( 7.758 12.784 0.000) 14.954 12.048 ( 17.169 1.848 0.000) 17.268 12.461 ( 17.059 -3.873 0.000) 17.493 13.035 ( -8.093 28.903 0.000) 30.014 13.655 ( -2.017 3.234 0.000) 3.812 14.054 ( 4.000 -18.729 0.000) 19.152 14.256 ( 6.924 -12.626 0.000) 14.400 14.310 ( 3.133 -3.969 0.000) 5.056 14.617 ( -19.163 2.586 0.000) 19.337 14.832 ( -9.528 -1.259 0.000) 9.611 15.402 ( -7.461 0.285 0.000) 7.466 15.890 ( -8.050 -5.641 0.000) 9.829 16.497 ( 15.100 4.018 0.000) 15.625 17.391 ( 23.969 -25.811 0.000) 35.224 17.582 ( 0.537 5.113 0.000) 5.142 17.700 ( -1.496 2.420 0.000) 2.845 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 20.140 3.152 0.000) 20.386 1.305 ( 24.709 2.677 0.000) 24.854 2.139 ( 5.342 -5.691 0.000) 7.805 2.378 ( 1.993 1.353 0.000) 2.408 2.485 ( -0.786 -5.397 0.000) 5.454 2.599 ( 15.236 -2.210 0.000) 15.395 2.829 ( -10.909 -1.582 0.000) 11.023 2.983 ( -1.364 -6.707 0.000) 6.845 3.203 ( -5.434 0.281 0.000) 5.442 3.211 ( -3.712 8.480 0.000) 9.257 3.319 ( -2.132 -10.395 0.000) 10.611 3.597 ( -3.833 9.419 0.000) 10.169 3.753 ( -12.137 15.291 0.000) 19.522 3.872 ( -12.330 -2.871 0.000) 12.660 4.011 ( 18.360 8.836 0.000) 20.376 4.291 ( -1.298 1.656 0.000) 2.104 4.361 ( 11.556 2.073 0.000) 11.741 4.518 ( 16.884 3.241 0.000) 17.192 5.117 ( 1.773 7.166 0.000) 7.382 5.224 ( 0.527 4.798 0.000) 4.827 5.588 ( 1.873 -8.150 0.000) 8.363 5.588 ( -0.867 -7.172 0.000) 7.224 5.665 ( -2.149 -12.220 0.000) 12.408 5.916 ( -13.252 2.585 0.000) 13.502 5.970 ( -3.801 6.849 0.000) 7.833 6.084 ( -1.674 -2.653 0.000) 3.137 6.651 ( 2.364 3.176 0.000) 3.959 6.738 ( -16.824 -6.119 0.000) 17.903 6.759 ( -3.446 4.744 0.000) 5.863 7.324 ( 1.234 0.499 0.000) 1.331 7.373 ( 2.214 -0.353 0.000) 2.242 7.558 ( 0.602 -6.530 0.000) 6.558 8.143 ( 7.016 4.502 0.000) 8.336 8.622 ( -5.881 3.015 0.000) 6.609 9.068 ( 0.032 -4.187 0.000) 4.187 9.251 ( 6.668 -21.901 0.000) 22.894 9.471 ( 3.195 11.221 0.000) 11.667 9.851 ( -3.458 9.223 0.000) 9.850 10.309 ( -6.420 15.594 0.000) 16.864 10.453 ( 7.484 -0.099 0.000) 7.485 10.729 ( 0.776 -1.388 0.000) 1.590 11.063 ( -11.211 3.511 0.000) 11.748 11.184 ( -3.277 -7.345 0.000) 8.043 11.308 ( -7.818 -1.423 0.000) 7.946 12.147 ( 14.311 10.538 0.000) 17.772 12.555 ( 29.260 0.429 0.000) 29.263 12.916 ( 20.655 5.204 0.000) 21.300 13.154 ( 19.475 5.798 0.000) 20.320 13.613 ( -1.848 4.761 0.000) 5.108 14.130 ( -23.507 4.653 0.000) 23.964 14.153 ( 4.896 -16.946 0.000) 17.639 14.357 ( 1.808 -9.628 0.000) 9.796 14.379 ( 2.885 -4.071 0.000) 4.989 14.705 ( -3.862 -7.636 0.000) 8.557 15.165 ( -14.973 -0.890 0.000) 14.999 15.631 ( -16.731 -5.509 0.000) 17.615 16.843 ( 16.442 4.308 0.000) 16.997 17.600 ( 1.035 4.362 0.000) 4.483 17.648 ( 4.811 -12.401 0.000) 13.301 17.650 ( -3.239 2.940 0.000) 4.375 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 16.688 -6.857 0.000) 18.042 1.803 ( 21.909 -4.520 0.000) 22.370 2.147 ( -12.869 -11.944 0.000) 17.558 2.245 ( 3.290 -3.655 0.000) 4.917 2.464 ( 1.766 -3.308 0.000) 3.750 2.636 ( -6.643 -1.317 0.000) 6.773 2.797 ( -2.275 9.672 0.000) 9.936 2.919 ( -5.985 -9.366 0.000) 11.115 3.049 ( -7.208 -3.032 0.000) 7.820 3.131 ( -7.833 -20.050 0.000) 21.526 3.383 ( -3.409 3.933 0.000) 5.205 3.387 ( -11.269 -4.668 0.000) 12.198 3.725 ( 14.299 18.473 0.000) 23.360 3.791 ( 2.515 19.380 0.000) 19.542 4.327 ( 13.255 7.215 0.000) 15.091 4.456 ( 18.137 6.872 0.000) 19.395 4.636 ( 12.258 2.987 0.000) 12.617 4.859 ( 13.180 -0.502 0.000) 13.190 5.192 ( 5.368 10.613 0.000) 11.893 5.200 ( -2.219 7.812 0.000) 8.121 5.461 ( -13.345 -1.867 0.000) 13.475 5.508 ( -7.278 -8.735 0.000) 11.370 5.592 ( -13.156 3.725 0.000) 13.674 5.778 ( 8.850 -10.974 0.000) 14.098 5.795 ( -11.278 4.591 0.000) 12.177 6.073 ( -1.737 -5.021 0.000) 5.313 6.412 ( -11.023 -9.351 0.000) 14.455 6.514 ( -9.829 -4.150 0.000) 10.669 6.913 ( 11.760 6.406 0.000) 13.391 7.292 ( -4.393 0.589 0.000) 4.432 7.429 ( 3.201 -1.001 0.000) 3.354 7.555 ( -1.337 -4.830 0.000) 5.012 8.275 ( 5.951 5.906 0.000) 8.384 8.510 ( -5.046 4.273 0.000) 6.613 9.072 ( 0.889 -4.486 0.000) 4.573 9.245 ( -5.292 -12.568 0.000) 13.637 9.540 ( 4.426 13.864 0.000) 14.554 9.762 ( -4.906 11.147 0.000) 12.179 10.327 ( 6.755 10.150 0.000) 12.193 10.614 ( 6.572 -0.802 0.000) 6.621 10.765 ( 2.266 0.065 0.000) 2.267 10.815 ( -11.101 3.947 0.000) 11.782 11.089 ( -5.135 -7.356 0.000) 8.971 11.137 ( -7.712 -3.265 0.000) 8.375 12.499 ( 18.719 5.832 0.000) 19.607 13.062 ( 8.249 -2.389 0.000) 8.588 13.329 ( 28.421 4.665 0.000) 28.801 13.570 ( -2.448 6.714 0.000) 7.147 13.652 ( -14.203 10.223 0.000) 17.499 13.806 ( 31.942 -3.745 0.000) 32.160 14.225 ( 0.087 -11.033 0.000) 11.034 14.392 ( 1.448 -8.292 0.000) 8.418 14.409 ( -0.678 -3.891 0.000) 3.950 14.640 ( -2.570 -10.410 0.000) 10.723 14.801 ( -17.385 -5.331 0.000) 18.184 15.185 ( -25.639 -5.322 0.000) 26.186 17.158 ( 13.193 4.221 0.000) 13.852 17.551 ( -5.830 3.283 0.000) 6.690 17.633 ( 1.572 3.106 0.000) 3.481 17.687 ( -0.104 -4.192 0.000) 4.194 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -12.375 -13.745 0.000) 18.495 1.880 ( 12.375 -13.745 0.000) 18.495 2.187 ( -11.373 -2.180 0.000) 11.580 2.187 ( 11.373 -2.180 0.000) 11.580 2.520 ( -3.639 2.562 0.000) 4.451 2.520 ( 3.639 2.562 0.000) 4.451 2.804 ( -4.178 -2.200 0.000) 4.722 2.804 ( 4.178 -2.200 0.000) 4.722 2.976 ( -3.324 -13.915 0.000) 14.306 2.976 ( 3.324 -13.915 0.000) 14.306 3.290 ( -1.690 -2.930 0.000) 3.382 3.290 ( 1.690 -2.930 0.000) 3.382 3.853 ( -1.415 21.512 0.000) 21.558 3.853 ( 1.415 21.512 0.000) 21.558 4.742 ( -6.256 6.287 0.000) 8.869 4.742 ( 6.256 6.287 0.000) 8.869 4.813 ( -22.571 6.434 0.000) 23.470 4.813 ( 22.571 6.434 0.000) 23.470 5.182 ( -3.379 -1.961 0.000) 3.907 5.182 ( 3.379 -1.961 0.000) 3.907 5.323 ( -8.409 3.813 0.000) 9.233 5.323 ( 8.409 3.813 0.000) 9.233 5.560 ( -8.941 3.385 0.000) 9.561 5.560 ( 8.941 3.385 0.000) 9.561 5.962 ( -7.971 -8.197 0.000) 11.433 5.962 ( 7.971 -8.197 0.000) 11.433 6.353 ( -4.096 -7.539 0.000) 8.580 6.353 ( 4.096 -7.539 0.000) 8.580 7.144 ( -9.457 2.455 0.000) 9.770 7.144 ( 9.457 2.455 0.000) 9.770 7.502 ( -3.425 -2.577 0.000) 4.286 7.502 ( 3.425 -2.577 0.000) 4.286 8.399 ( -5.686 5.327 0.000) 7.791 8.399 ( 5.686 5.327 0.000) 7.791 9.127 ( -4.542 -6.262 0.000) 7.736 9.127 ( 4.542 -6.262 0.000) 7.736 9.650 ( -5.579 12.761 0.000) 13.927 9.650 ( 5.579 12.761 0.000) 13.927 10.527 ( -10.929 4.484 0.000) 11.813 10.527 ( 10.929 4.484 0.000) 11.813 10.779 ( -2.514 1.965 0.000) 3.191 10.779 ( 2.514 1.965 0.000) 3.191 11.027 ( -1.253 -6.633 0.000) 6.750 11.027 ( 1.253 -6.633 0.000) 6.750 12.903 ( -17.983 -1.411 0.000) 18.038 12.903 ( 17.983 -1.411 0.000) 18.038 13.515 ( -1.738 11.466 0.000) 11.597 13.515 ( 1.738 11.466 0.000) 11.597 13.960 ( -25.920 2.531 0.000) 26.044 13.960 ( 25.920 2.531 0.000) 26.044 14.363 ( -4.785 -9.508 0.000) 10.644 14.363 ( 4.785 -9.508 0.000) 10.644 14.579 ( -28.941 -4.753 0.000) 29.329 14.579 ( 28.941 -4.753 0.000) 29.329 14.610 ( -0.995 -11.324 0.000) 11.368 14.610 ( 0.995 -11.324 0.000) 11.368 17.394 ( -9.267 3.838 0.000) 10.031 17.394 ( 9.267 3.838 0.000) 10.031 17.667 ( -1.520 0.382 0.000) 1.568 17.667 ( 1.520 0.382 0.000) 1.568 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 25.094 0.000) 25.094 1.253 ( 0.000 29.310 0.000) 29.310 1.910 ( 0.000 -12.669 0.000) 12.669 1.962 ( 0.000 32.747 0.000) 32.747 2.361 ( 0.000 -19.204 0.000) 19.204 2.480 ( 0.000 -6.604 0.000) 6.604 2.946 ( 0.000 2.964 0.000) 2.964 3.094 ( 0.000 -2.087 0.000) 2.087 3.121 ( 0.000 -5.868 0.000) 5.868 3.507 ( 0.000 11.432 0.000) 11.432 3.643 ( 0.000 -5.605 0.000) 5.605 3.740 ( 0.000 4.314 0.000) 4.314 3.768 ( 0.000 11.276 0.000) 11.276 3.951 ( 0.000 -6.175 0.000) 6.175 4.009 ( 0.000 -7.630 0.000) 7.630 4.208 ( 0.000 -10.397 0.000) 10.397 4.430 ( 0.000 10.288 0.000) 10.288 4.926 ( 0.000 13.930 0.000) 13.930 5.005 ( 0.000 0.157 0.000) 0.157 5.180 ( 0.000 -18.647 0.000) 18.647 5.251 ( 0.000 9.480 0.000) 9.480 5.393 ( 0.000 -2.799 0.000) 2.799 5.559 ( 0.000 -14.168 0.000) 14.168 5.769 ( 0.000 -13.433 0.000) 13.433 6.624 ( 0.000 5.492 0.000) 5.492 6.632 ( 0.000 12.747 0.000) 12.747 6.761 ( 0.000 -2.494 0.000) 2.494 7.048 ( 0.000 3.827 0.000) 3.827 7.129 ( 0.000 -9.812 0.000) 9.812 7.194 ( 0.000 1.947 0.000) 1.947 7.232 ( 0.000 0.348 0.000) 0.348 7.274 ( 0.000 -5.904 0.000) 5.904 7.760 ( 0.000 0.640 0.000) 0.640 7.834 ( 0.000 -2.367 0.000) 2.367 8.860 ( 0.000 0.947 0.000) 0.947 8.947 ( 0.000 -3.370 0.000) 3.370 9.757 ( 0.000 22.052 0.000) 22.052 10.096 ( 0.000 8.632 0.000) 8.632 10.283 ( 0.000 -0.398 0.000) 0.398 10.569 ( 0.000 -13.063 0.000) 13.063 10.845 ( 0.000 1.576 0.000) 1.576 11.005 ( 0.000 -7.829 0.000) 7.829 11.448 ( 0.000 3.402 0.000) 3.402 11.479 ( 0.000 -0.073 0.000) 0.073 11.937 ( 0.000 4.193 0.000) 4.193 12.156 ( 0.000 -6.226 0.000) 6.226 12.241 ( 0.000 26.690 0.000) 26.690 13.504 ( 0.000 -29.676 0.000) 29.676 13.598 ( 0.000 10.008 0.000) 10.008 13.766 ( 0.000 6.269 0.000) 6.269 13.951 ( 0.000 -6.542 0.000) 6.542 14.131 ( 0.000 -9.176 0.000) 9.176 14.909 ( 0.000 2.673 0.000) 2.673 15.027 ( 0.000 -2.581 0.000) 2.581 15.529 ( 0.000 4.495 0.000) 4.495 15.825 ( 0.000 -8.396 0.000) 8.396 16.413 ( 0.000 6.182 0.000) 6.182 16.676 ( 0.000 -5.611 0.000) 5.611 17.692 ( 0.000 5.128 0.000) 5.128 17.760 ( 0.000 1.608 0.000) 1.608 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 6.857 20.386 0.000) 21.509 1.277 ( 4.565 25.466 0.000) 25.872 1.908 ( 0.075 -12.910 0.000) 12.910 2.216 ( 10.079 -2.062 0.000) 10.288 2.353 ( 7.834 2.924 0.000) 8.362 2.442 ( -4.366 -4.941 0.000) 6.593 2.897 ( -3.916 0.255 0.000) 3.925 3.023 ( -6.687 -2.863 0.000) 7.274 3.119 ( 1.438 -0.436 0.000) 1.502 3.441 ( -5.244 10.351 0.000) 11.603 3.621 ( -6.375 8.415 0.000) 10.557 3.796 ( 2.869 6.452 0.000) 7.061 3.805 ( 8.794 -0.055 0.000) 8.794 3.902 ( -6.414 -9.064 0.000) 11.104 4.070 ( 8.061 -6.998 0.000) 10.675 4.149 ( -6.405 -11.988 0.000) 13.592 4.495 ( 7.063 14.572 0.000) 16.194 4.679 ( -12.899 22.947 0.000) 26.324 5.089 ( 3.558 -0.866 0.000) 3.662 5.196 ( 2.327 -5.785 0.000) 6.236 5.319 ( 4.875 -1.587 0.000) 5.126 5.399 ( -0.843 -9.519 0.000) 9.556 5.504 ( -3.910 -12.518 0.000) 13.115 5.787 ( 1.577 -12.798 0.000) 12.894 6.346 ( -11.354 13.488 0.000) 17.631 6.481 ( -12.640 11.789 0.000) 17.284 6.720 ( -6.267 -4.718 0.000) 7.844 6.926 ( -13.910 -8.063 0.000) 16.078 6.937 ( -0.147 10.699 0.000) 10.700 7.279 ( 3.915 0.737 0.000) 3.984 7.303 ( 3.986 -0.667 0.000) 4.041 7.370 ( 0.437 -10.405 0.000) 10.414 8.007 ( 14.109 2.904 0.000) 14.405 8.318 ( 33.263 -15.476 0.000) 36.687 8.800 ( -4.394 2.795 0.000) 5.208 8.962 ( 0.460 -4.784 0.000) 4.806 9.781 ( 2.214 21.795 0.000) 21.907 10.094 ( -0.148 9.733 0.000) 9.734 10.324 ( 3.729 -1.037 0.000) 3.870 10.538 ( -2.541 -10.178 0.000) 10.490 10.769 ( -5.262 3.663 0.000) 6.411 11.021 ( 0.150 -9.748 0.000) 9.749 11.348 ( -8.269 3.178 0.000) 8.859 11.428 ( -5.473 -0.946 0.000) 5.554 12.116 ( 16.892 4.596 0.000) 17.506 12.309 ( 6.169 25.731 0.000) 26.460 12.352 ( 18.225 -6.208 0.000) 19.253 13.501 ( -6.395 17.498 0.000) 18.630 13.549 ( 3.663 -29.183 0.000) 29.412 13.768 ( 0.661 7.181 0.000) 7.211 14.014 ( 4.269 -11.049 0.000) 11.845 14.166 ( 2.903 -9.510 0.000) 9.943 14.673 ( -18.764 2.962 0.000) 18.997 14.793 ( -14.799 -2.500 0.000) 15.008 15.447 ( -7.873 4.397 0.000) 9.018 15.742 ( -7.970 -8.375 0.000) 11.561 16.612 ( 15.861 7.184 0.000) 17.413 17.010 ( 22.051 -13.535 0.000) 25.873 17.692 ( 0.038 4.850 0.000) 4.851 17.749 ( -1.059 1.874 0.000) 2.152 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 8.722 10.197 0.000) 13.418 1.463 ( 12.077 12.763 0.000) 17.572 1.928 ( 2.168 -14.794 0.000) 14.952 2.167 ( -6.379 -15.410 0.000) 16.678 2.312 ( -4.710 -5.128 0.000) 6.963 2.627 ( 4.358 -12.611 0.000) 13.343 2.786 ( -7.205 -1.277 0.000) 7.317 2.875 ( -5.289 -4.203 0.000) 6.756 3.249 ( 3.194 18.000 0.000) 18.281 3.285 ( -9.702 6.914 0.000) 11.913 3.517 ( 3.914 11.727 0.000) 12.363 3.600 ( -15.341 -6.095 0.000) 16.508 3.850 ( -6.283 -0.312 0.000) 6.291 3.975 ( 8.381 9.609 0.000) 12.751 4.207 ( 17.928 1.009 0.000) 17.957 4.301 ( 13.448 -5.922 0.000) 14.694 4.536 ( -1.643 21.571 0.000) 21.634 4.716 ( 12.698 14.329 0.000) 19.146 5.180 ( 4.730 -5.465 0.000) 7.228 5.284 ( 5.975 3.259 0.000) 6.806 5.351 ( -2.810 -14.344 0.000) 14.617 5.405 ( 2.456 -5.129 0.000) 5.687 5.441 ( -1.396 -9.812 0.000) 9.911 5.827 ( 1.681 -9.952 0.000) 10.093 6.160 ( -16.868 8.608 0.000) 18.937 6.177 ( -8.171 12.155 0.000) 14.646 6.571 ( -19.514 -9.843 0.000) 21.856 6.588 ( -7.133 -6.580 0.000) 9.704 6.957 ( 2.941 11.238 0.000) 11.616 7.333 ( 0.937 0.528 0.000) 1.076 7.364 ( 1.904 -0.608 0.000) 1.998 7.387 ( 1.669 -9.726 0.000) 9.869 8.279 ( 10.497 8.868 0.000) 13.741 8.708 ( -4.085 5.240 0.000) 6.644 8.819 ( 14.012 -18.467 0.000) 23.181 8.958 ( -0.579 -6.271 0.000) 6.298 9.840 ( 3.167 21.524 0.000) 21.756 10.086 ( -0.730 12.735 0.000) 12.756 10.431 ( 6.267 -2.730 0.000) 6.836 10.492 ( -0.985 0.012 0.000) 0.985 10.690 ( -1.424 0.009 0.000) 1.424 10.988 ( -3.239 -10.896 0.000) 11.367 11.131 ( -11.679 3.018 0.000) 12.062 11.262 ( -9.679 -3.078 0.000) 10.157 12.485 ( 10.303 22.683 0.000) 24.913 12.614 ( 28.843 5.057 0.000) 29.282 12.883 ( 30.672 -5.849 0.000) 31.225 13.406 ( -1.951 15.765 0.000) 15.886 13.619 ( 2.283 -21.087 0.000) 21.210 13.822 ( 4.746 2.168 0.000) 5.217 14.076 ( -0.456 -16.520 0.000) 16.527 14.234 ( 3.186 -9.685 0.000) 10.195 14.257 ( -17.079 7.357 0.000) 18.596 14.556 ( -7.661 -6.964 0.000) 10.353 15.194 ( -16.241 4.026 0.000) 16.732 15.485 ( -16.596 -8.301 0.000) 18.556 16.968 ( 16.450 7.780 0.000) 18.197 17.384 ( 12.873 -12.562 0.000) 17.986 17.690 ( -0.473 3.858 0.000) 3.886 17.713 ( -2.211 2.663 0.000) 3.461 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 7.834 0.298 0.000) 7.840 1.714 ( 8.375 -1.505 0.000) 8.509 1.997 ( -6.010 -4.905 0.000) 7.757 2.000 ( 4.067 -18.372 0.000) 18.816 2.344 ( 7.108 -6.936 0.000) 9.931 2.587 ( -4.716 -20.380 0.000) 20.918 2.647 ( -4.979 1.665 0.000) 5.250 2.758 ( -8.349 -5.254 0.000) 9.865 3.075 ( -8.160 4.392 0.000) 9.267 3.114 ( -8.983 11.872 0.000) 14.887 3.299 ( -10.852 -4.284 0.000) 11.667 3.419 ( -11.406 -1.363 0.000) 11.487 4.162 ( 8.716 16.183 0.000) 18.381 4.174 ( 23.040 23.615 0.000) 32.993 4.558 ( 9.241 11.609 0.000) 14.838 4.613 ( 15.551 -5.883 0.000) 16.627 4.645 ( 18.776 12.594 0.000) 22.609 4.959 ( 8.440 10.637 0.000) 13.579 5.163 ( -7.520 -9.834 0.000) 12.379 5.358 ( 2.900 -8.083 0.000) 8.587 5.387 ( -4.808 -4.689 0.000) 6.716 5.447 ( 9.076 12.211 0.000) 15.214 5.488 ( 6.886 -15.632 0.000) 17.081 5.687 ( -18.294 5.727 0.000) 19.170 5.941 ( -2.032 -7.381 0.000) 7.655 5.955 ( -12.482 11.207 0.000) 16.776 6.160 ( -15.566 -14.550 0.000) 21.308 6.390 ( -11.186 -7.979 0.000) 13.740 7.071 ( 6.983 8.658 0.000) 11.123 7.312 ( -3.010 1.423 0.000) 3.329 7.397 ( 1.503 -2.097 0.000) 2.580 7.423 ( 1.132 -7.861 0.000) 7.943 8.446 ( 5.959 10.576 0.000) 12.139 8.630 ( -3.513 7.204 0.000) 8.015 8.949 ( -0.035 -7.300 0.000) 7.300 8.966 ( 1.785 -14.086 0.000) 14.199 9.913 ( 3.820 21.492 0.000) 21.829 10.058 ( -2.122 16.726 0.000) 16.860 10.519 ( 3.525 6.691 0.000) 7.563 10.573 ( 6.670 -4.658 0.000) 8.136 10.718 ( 4.035 -5.745 0.000) 7.020 10.886 ( -10.793 2.923 0.000) 11.182 10.894 ( -5.448 -9.932 0.000) 11.328 11.047 ( -10.260 -5.106 0.000) 11.460 12.729 ( 12.568 17.433 0.000) 21.491 13.119 ( 6.606 8.430 0.000) 10.710 13.449 ( 23.857 6.787 0.000) 24.804 13.643 ( 31.103 -8.529 0.000) 32.251 13.650 ( 1.200 -9.244 0.000) 9.321 13.852 ( -11.961 0.295 0.000) 11.965 13.940 ( 5.432 -5.489 0.000) 7.723 14.167 ( 1.618 -6.745 0.000) 6.937 14.287 ( 1.411 -8.554 0.000) 8.669 14.444 ( -3.563 -8.800 0.000) 9.494 14.769 ( -23.618 2.682 0.000) 23.769 15.044 ( -25.297 -8.078 0.000) 26.555 17.274 ( 12.513 6.947 0.000) 14.312 17.574 ( 5.925 -6.699 0.000) 8.943 17.630 ( -4.898 3.934 0.000) 6.282 17.689 ( -0.803 1.776 0.000) 1.950 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -8.239 -5.286 0.000) 9.789 1.659 ( 8.239 -5.286 0.000) 9.789 2.039 ( -2.506 -13.635 0.000) 13.863 2.039 ( 2.506 -13.635 0.000) 13.863 2.528 ( -8.232 -2.652 0.000) 8.649 2.528 ( 8.232 -2.652 0.000) 8.649 2.565 ( -5.364 -9.013 0.000) 10.489 2.565 ( 5.364 -9.013 0.000) 10.489 2.989 ( -1.083 7.545 0.000) 7.622 2.989 ( 1.083 7.545 0.000) 7.622 3.237 ( -4.503 -3.064 0.000) 5.447 3.237 ( 4.503 -3.064 0.000) 5.447 4.308 ( -4.135 21.424 0.000) 21.819 4.308 ( 4.135 21.424 0.000) 21.819 4.913 ( -8.166 2.251 0.000) 8.470 4.913 ( 8.166 2.251 0.000) 8.470 4.978 ( -6.565 7.198 0.000) 9.742 4.978 ( 6.565 7.198 0.000) 9.742 5.043 ( -24.320 3.957 0.000) 24.640 5.043 ( 24.320 3.957 0.000) 24.640 5.421 ( -4.668 -3.422 0.000) 5.788 5.421 ( 4.668 -3.422 0.000) 5.788 5.674 ( -7.854 6.044 0.000) 9.911 5.674 ( 7.854 6.044 0.000) 9.911 5.719 ( -8.751 -10.794 0.000) 13.896 5.719 ( 8.751 -10.794 0.000) 13.896 6.163 ( -9.103 -10.455 0.000) 13.863 6.163 ( 9.103 -10.455 0.000) 13.863 7.214 ( -6.058 4.391 0.000) 7.482 7.214 ( 6.058 4.391 0.000) 7.482 7.424 ( -0.877 -4.858 0.000) 4.936 7.424 ( 0.877 -4.858 0.000) 4.936 8.550 ( -4.234 9.223 0.000) 10.149 8.550 ( 4.234 9.223 0.000) 10.149 8.961 ( -1.044 -9.559 0.000) 9.616 8.961 ( 1.044 -9.559 0.000) 9.616 9.995 ( -3.720 20.077 0.000) 20.419 9.995 ( 3.720 20.077 0.000) 20.419 10.623 ( -4.830 3.091 0.000) 5.734 10.623 ( 4.830 3.091 0.000) 5.734 10.779 ( -3.729 -5.223 0.000) 6.417 10.779 ( 3.729 -5.223 0.000) 6.417 10.850 ( -8.140 -6.835 0.000) 10.629 10.850 ( 8.140 -6.835 0.000) 10.629 12.993 ( -11.669 11.332 0.000) 16.266 12.993 ( 11.669 11.332 0.000) 16.266 13.692 ( -3.501 -1.597 0.000) 3.848 13.692 ( 3.501 -1.597 0.000) 3.848 13.976 ( -8.997 -1.922 0.000) 9.200 13.976 ( 8.997 -1.922 0.000) 9.200 14.140 ( -18.288 -3.631 0.000) 18.644 14.140 ( 18.288 -3.631 0.000) 18.644 14.398 ( -6.244 -8.640 0.000) 10.660 14.398 ( 6.244 -8.640 0.000) 10.660 14.457 ( -24.902 -7.014 0.000) 25.871 14.457 ( 24.902 -7.014 0.000) 25.871 17.492 ( -8.321 5.440 0.000) 9.942 17.492 ( 8.321 5.440 0.000) 9.942 17.657 ( -2.426 -1.652 0.000) 2.935 17.657 ( 2.426 -1.652 0.000) 2.935 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 -21.772 0.000) 21.772 1.546 ( 0.000 21.772 0.000) 21.772 1.817 ( 0.000 -25.849 0.000) 25.849 1.817 ( 0.000 25.849 0.000) 25.849 2.397 ( 0.000 -4.555 0.000) 4.555 2.397 ( 0.000 4.555 0.000) 4.555 3.034 ( 0.000 -4.118 0.000) 4.118 3.034 ( 0.000 4.118 0.000) 4.118 3.319 ( 0.000 -21.556 0.000) 21.556 3.319 ( 0.000 21.556 0.000) 21.556 3.765 ( 0.000 -13.406 0.000) 13.406 3.765 ( 0.000 13.406 0.000) 13.406 3.830 ( 0.000 -5.169 0.000) 5.169 3.830 ( 0.000 5.169 0.000) 5.169 3.986 ( 0.000 -10.524 0.000) 10.524 3.986 ( 0.000 10.524 0.000) 10.524 4.774 ( 0.000 -20.207 0.000) 20.207 4.774 ( 0.000 20.207 0.000) 20.207 5.086 ( 0.000 -1.331 0.000) 1.331 5.086 ( 0.000 1.331 0.000) 1.331 5.348 ( 0.000 -2.570 0.000) 2.570 5.348 ( 0.000 2.570 0.000) 2.570 5.489 ( 0.000 -13.468 0.000) 13.468 5.489 ( 0.000 13.468 0.000) 13.468 6.708 ( 0.000 -3.038 0.000) 3.038 6.708 ( 0.000 3.038 0.000) 3.038 6.894 ( 0.000 -12.713 0.000) 12.713 6.894 ( 0.000 12.713 0.000) 12.713 7.151 ( 0.000 -5.935 0.000) 5.935 7.151 ( 0.000 5.935 0.000) 5.935 7.227 ( 0.000 -1.076 0.000) 1.076 7.227 ( 0.000 1.076 0.000) 1.076 7.787 ( 0.000 -2.003 0.000) 2.003 7.787 ( 0.000 2.003 0.000) 2.003 8.891 ( 0.000 -2.107 0.000) 2.107 8.891 ( 0.000 2.107 0.000) 2.107 10.208 ( 0.000 -21.303 0.000) 21.303 10.208 ( 0.000 21.303 0.000) 21.303 10.236 ( 0.000 -4.654 0.000) 4.654 10.236 ( 0.000 4.654 0.000) 4.654 10.894 ( 0.000 -3.517 0.000) 3.517 10.894 ( 0.000 3.517 0.000) 3.517 11.479 ( 0.000 -0.243 0.000) 0.243 11.479 ( 0.000 0.243 0.000) 0.243 12.036 ( 0.000 -5.509 0.000) 5.509 12.036 ( 0.000 5.509 0.000) 5.509 12.858 ( 0.000 -32.623 0.000) 32.623 12.858 ( 0.000 32.623 0.000) 32.623 13.793 ( 0.000 -8.895 0.000) 8.895 13.793 ( 0.000 8.895 0.000) 8.895 13.932 ( 0.000 -9.661 0.000) 9.661 13.932 ( 0.000 9.661 0.000) 9.661 14.969 ( 0.000 -3.025 0.000) 3.025 14.969 ( 0.000 3.025 0.000) 3.025 15.657 ( 0.000 -7.734 0.000) 7.734 15.657 ( 0.000 7.734 0.000) 7.734 16.548 ( 0.000 -6.767 0.000) 6.767 16.548 ( 0.000 6.767 0.000) 6.767 17.762 ( 0.000 -1.630 0.000) 1.630 17.762 ( 0.000 1.630 0.000) 1.630 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 1.324 -19.947 0.000) 19.991 1.561 ( 1.324 19.947 0.000) 19.991 1.794 ( -1.255 -24.813 0.000) 24.845 1.794 ( -1.255 24.813 0.000) 24.845 2.425 ( 0.186 -2.667 0.000) 2.674 2.425 ( 0.186 2.667 0.000) 2.674 2.952 ( -6.806 -3.900 0.000) 7.844 2.952 ( -6.806 3.900 0.000) 7.844 3.453 ( 13.012 -22.891 0.000) 26.331 3.453 ( 13.012 22.891 0.000) 26.331 3.669 ( -7.887 -11.688 0.000) 14.100 3.669 ( -7.887 11.688 0.000) 14.100 3.902 ( -6.735 -9.994 0.000) 12.052 3.902 ( -6.735 9.994 0.000) 12.052 3.934 ( 8.338 -6.336 0.000) 10.472 3.934 ( 8.338 6.336 0.000) 10.472 4.855 ( 7.175 -19.404 0.000) 20.688 4.855 ( 7.175 19.404 0.000) 20.688 5.048 ( -3.703 -12.274 0.000) 12.821 5.048 ( -3.703 12.274 0.000) 12.821 5.291 ( -3.497 -6.462 0.000) 7.348 5.291 ( -3.497 6.462 0.000) 7.348 5.517 ( 2.500 -13.103 0.000) 13.340 5.517 ( 2.500 13.103 0.000) 13.340 6.574 ( -7.896 -9.207 0.000) 12.129 6.574 ( -7.896 9.207 0.000) 12.129 6.722 ( -13.983 -11.468 0.000) 18.084 6.722 ( -13.983 11.468 0.000) 18.084 7.155 ( 0.159 -10.647 0.000) 10.648 7.155 ( 0.159 10.647 0.000) 10.648 7.292 ( 3.925 -0.593 0.000) 3.970 7.292 ( 3.925 0.593 0.000) 3.970 8.104 ( 22.313 -6.995 0.000) 23.384 8.104 ( 22.313 6.995 0.000) 23.384 8.870 ( -1.763 -4.067 0.000) 4.433 8.870 ( -1.763 4.067 0.000) 4.433 10.220 ( 1.247 -20.070 0.000) 20.108 10.220 ( 1.247 20.070 0.000) 20.108 10.258 ( 2.048 -5.768 0.000) 6.121 10.258 ( 2.048 5.768 0.000) 6.121 10.862 ( -2.822 -5.844 0.000) 6.490 10.862 ( -2.822 5.844 0.000) 6.490 11.397 ( -7.398 -1.995 0.000) 7.663 11.397 ( -7.398 1.995 0.000) 7.663 12.225 ( 17.662 -6.007 0.000) 18.655 12.225 ( 17.662 6.007 0.000) 18.655 12.909 ( 4.634 -32.101 0.000) 32.434 12.909 ( 4.634 32.101 0.000) 32.434 13.789 ( -0.753 -11.865 0.000) 11.889 13.789 ( -0.753 11.865 0.000) 11.889 13.955 ( 2.070 -10.517 0.000) 10.719 13.955 ( 2.070 10.517 0.000) 10.719 14.735 ( -17.329 -3.066 0.000) 17.598 14.735 ( -17.329 3.066 0.000) 17.598 15.574 ( -7.953 -7.730 0.000) 11.090 15.574 ( -7.953 7.730 0.000) 11.090 16.783 ( 17.855 -9.579 0.000) 20.262 16.783 ( 17.855 9.579 0.000) 20.262 17.757 ( -0.525 -1.349 0.000) 1.447 17.757 ( -0.525 1.349 0.000) 1.447 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 1.751 -16.414 0.000) 16.507 1.595 ( 1.751 16.414 0.000) 16.507 1.795 ( 1.484 -18.944 0.000) 19.002 1.795 ( 1.484 18.944 0.000) 19.002 2.366 ( -4.648 -9.240 0.000) 10.343 2.366 ( -4.648 9.240 0.000) 10.343 2.802 ( -6.401 -2.642 0.000) 6.924 2.802 ( -6.401 2.642 0.000) 6.924 3.448 ( -12.589 -8.339 0.000) 15.100 3.448 ( -12.589 8.339 0.000) 15.100 3.571 ( -9.514 -8.670 0.000) 12.872 3.571 ( -9.514 8.670 0.000) 12.872 4.012 ( 23.960 -16.149 0.000) 28.895 4.012 ( 23.960 16.149 0.000) 28.895 4.158 ( 12.517 -8.106 0.000) 14.912 4.158 ( 12.517 8.106 0.000) 14.912 4.967 ( -2.937 -18.660 0.000) 18.889 4.967 ( -2.937 18.660 0.000) 18.889 5.041 ( 9.473 -16.503 0.000) 19.028 5.041 ( 9.473 16.503 0.000) 19.028 5.249 ( -0.733 -7.039 0.000) 7.077 5.249 ( -0.733 7.039 0.000) 7.077 5.589 ( 4.318 -12.643 0.000) 13.360 5.589 ( 4.318 12.643 0.000) 13.360 6.359 ( -20.086 -10.530 0.000) 22.679 6.359 ( -20.086 10.530 0.000) 22.679 6.413 ( -8.586 -10.486 0.000) 13.553 6.413 ( -8.586 10.486 0.000) 13.553 7.179 ( 2.527 -10.621 0.000) 10.917 7.179 ( 2.527 10.621 0.000) 10.917 7.348 ( 1.248 -0.855 0.000) 1.513 7.348 ( 1.248 0.855 0.000) 1.513 8.502 ( 13.767 -13.142 0.000) 19.032 8.502 ( 13.767 13.142 0.000) 19.032 8.827 ( -2.061 -6.378 0.000) 6.703 8.827 ( -2.061 6.378 0.000) 6.703 10.267 ( 3.300 -18.665 0.000) 18.954 10.267 ( 3.300 18.665 0.000) 18.954 10.316 ( 3.239 -8.912 0.000) 9.482 10.316 ( 3.239 8.912 0.000) 9.482 10.791 ( -3.431 -7.959 0.000) 8.667 10.791 ( -3.431 7.959 0.000) 8.667 11.193 ( -11.319 -3.339 0.000) 11.801 11.193 ( -11.319 3.339 0.000) 11.801 12.743 ( 30.188 -7.187 0.000) 31.032 12.743 ( 30.188 7.187 0.000) 31.032 13.035 ( 6.893 -30.133 0.000) 30.912 13.035 ( 6.893 30.133 0.000) 30.912 13.736 ( -4.680 -16.617 0.000) 17.263 13.736 ( -4.680 16.617 0.000) 17.263 14.013 ( 3.222 -11.402 0.000) 11.848 14.013 ( 3.222 11.402 0.000) 11.848 14.411 ( -11.520 -7.518 0.000) 13.756 14.411 ( -11.520 7.518 0.000) 13.756 15.318 ( -16.503 -7.681 0.000) 18.203 15.318 ( -16.503 7.681 0.000) 18.203 17.152 ( 15.764 -10.314 0.000) 18.838 17.152 ( 15.764 10.314 0.000) 18.838 17.737 ( -1.453 -0.566 0.000) 1.559 17.737 ( -1.453 0.566 0.000) 1.559 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.984 -14.242 0.000) 14.552 1.641 ( 2.984 14.242 0.000) 14.552 1.818 ( -1.225 -10.761 0.000) 10.830 1.818 ( -1.225 10.761 0.000) 10.830 2.320 ( 2.809 -6.179 0.000) 6.787 2.320 ( 2.809 6.179 0.000) 6.787 2.685 ( -5.981 -2.414 0.000) 6.450 2.685 ( -5.981 2.414 0.000) 6.450 3.193 ( -9.414 -6.172 0.000) 11.257 3.193 ( -9.414 6.172 0.000) 11.257 3.323 ( -11.530 -7.915 0.000) 13.985 3.323 ( -11.530 7.915 0.000) 13.985 4.437 ( 13.370 -11.097 0.000) 17.375 4.437 ( 13.370 11.097 0.000) 17.375 4.583 ( 24.720 -12.408 0.000) 27.659 4.583 ( 24.720 12.408 0.000) 27.659 4.933 ( 1.287 -12.637 0.000) 12.702 4.933 ( 1.287 12.637 0.000) 12.702 5.207 ( 5.310 -11.821 0.000) 12.958 5.207 ( 5.310 11.821 0.000) 12.958 5.250 ( 0.853 -4.107 0.000) 4.195 5.250 ( 0.853 4.107 0.000) 4.195 5.706 ( 6.061 -10.065 0.000) 11.749 5.706 ( 6.061 10.065 0.000) 11.749 5.893 ( -22.847 -8.794 0.000) 24.481 5.893 ( -22.847 8.794 0.000) 24.481 6.194 ( -11.981 -11.244 0.000) 16.430 6.194 ( -11.981 11.244 0.000) 16.430 7.251 ( 3.680 -8.862 0.000) 9.596 7.251 ( 3.680 8.862 0.000) 9.596 7.350 ( -0.840 -2.279 0.000) 2.429 7.350 ( -0.840 2.279 0.000) 2.429 8.689 ( 5.043 -13.059 0.000) 13.999 8.689 ( 5.043 13.059 0.000) 13.999 8.789 ( -1.599 -8.174 0.000) 8.329 8.789 ( -1.599 8.174 0.000) 8.329 10.351 ( 4.202 -19.858 0.000) 20.298 10.351 ( 4.202 19.858 0.000) 20.298 10.383 ( 2.751 -13.862 0.000) 14.133 10.383 ( 2.751 13.862 0.000) 14.133 10.737 ( -1.210 -6.564 0.000) 6.675 10.737 ( -1.210 6.564 0.000) 6.675 10.952 ( -10.851 -3.963 0.000) 11.552 10.952 ( -10.851 3.963 0.000) 11.552 13.188 ( 7.522 -26.328 0.000) 27.381 13.188 ( 7.522 26.328 0.000) 27.381 13.369 ( 19.214 -14.082 0.000) 23.821 13.369 ( 19.214 14.082 0.000) 23.821 13.662 ( 6.941 -11.044 0.000) 13.045 13.662 ( 6.941 11.044 0.000) 13.045 14.080 ( 2.951 -10.948 0.000) 11.339 14.080 ( 2.951 10.948 0.000) 11.339 14.260 ( -3.676 -9.259 0.000) 9.963 14.260 ( -3.676 9.259 0.000) 9.963 14.880 ( -24.891 -7.430 0.000) 25.976 14.880 ( -24.891 7.430 0.000) 25.976 17.426 ( 10.343 -7.665 0.000) 12.874 17.426 ( 10.343 7.665 0.000) 12.874 17.690 ( -3.182 -1.650 0.000) 3.584 17.690 ( -3.182 1.650 0.000) 3.584 ======================= Grid point 35 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -5.391 -12.061 0.000) 13.211 1.731 ( 5.391 -12.061 0.000) 13.211 1.731 ( -5.391 12.061 0.000) 13.211 1.731 ( 5.391 12.061 0.000) 13.211 2.494 ( -11.316 -1.477 0.000) 11.412 2.494 ( -11.316 1.477 0.000) 11.412 2.494 ( 11.316 -1.477 0.000) 11.412 2.494 ( 11.316 1.477 0.000) 11.412 3.142 ( -4.469 -6.486 0.000) 7.877 3.142 ( 4.469 -6.486 0.000) 7.877 3.142 ( -4.469 6.487 0.000) 7.877 3.142 ( 4.469 6.487 0.000) 7.877 4.682 ( -8.677 -15.511 0.000) 17.773 4.682 ( 8.677 -15.511 0.000) 17.773 4.682 ( -8.677 15.511 0.000) 17.773 4.682 ( 8.677 15.511 0.000) 17.773 5.239 ( -5.965 -12.356 0.000) 13.721 5.239 ( 5.965 -12.356 0.000) 13.721 5.239 ( -5.965 12.356 0.000) 13.721 5.239 ( 5.965 12.356 0.000) 13.721 5.337 ( -21.246 -18.739 0.000) 28.329 5.337 ( 21.246 -18.739 0.000) 28.329 5.337 ( -21.246 18.739 0.000) 28.329 5.337 ( 21.246 18.739 0.000) 28.329 5.936 ( -11.736 -12.034 0.000) 16.809 5.936 ( 11.736 -12.034 0.000) 16.809 5.936 ( -11.736 12.034 0.000) 16.809 5.936 ( 11.736 12.034 0.000) 16.809 7.316 ( -2.390 -5.479 0.000) 5.978 7.316 ( 2.390 -5.479 0.000) 5.978 7.316 ( -2.390 5.479 0.000) 5.978 7.316 ( 2.390 5.479 0.000) 5.978 8.755 ( -1.939 -10.501 0.000) 10.679 8.755 ( 1.939 -10.501 0.000) 10.679 8.755 ( -1.939 10.501 0.000) 10.679 8.755 ( 1.939 10.501 0.000) 10.679 10.411 ( -0.727 -19.403 0.000) 19.416 10.411 ( 0.727 -19.403 0.000) 19.416 10.411 ( -0.727 19.403 0.000) 19.416 10.411 ( 0.727 19.403 0.000) 19.416 10.773 ( -5.340 -3.890 0.000) 6.607 10.773 ( 5.340 -3.890 0.000) 6.607 10.773 ( -5.340 3.890 0.000) 6.607 10.773 ( 5.340 3.890 0.000) 6.607 13.347 ( -7.398 -21.883 0.000) 23.100 13.347 ( 7.398 -21.883 0.000) 23.100 13.347 ( -7.398 21.883 0.000) 23.100 13.347 ( 7.398 21.883 0.000) 23.100 14.090 ( -8.010 -7.267 0.000) 10.815 14.090 ( 8.010 -7.267 0.000) 10.815 14.090 ( -8.010 7.267 0.000) 10.815 14.090 ( 8.010 7.267 0.000) 10.815 14.329 ( -20.781 -3.802 0.000) 21.126 14.329 ( -20.781 3.802 0.000) 21.126 14.329 ( 20.781 -3.802 0.000) 21.126 14.329 ( 20.781 3.802 0.000) 21.126 17.596 ( -6.060 -4.340 0.000) 7.454 17.596 ( 6.060 -4.340 0.000) 7.454 17.596 ( -6.060 4.340 0.000) 7.454 17.596 ( 6.060 4.340 0.000) 7.454 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 0.000 26.965) 26.965 0.537 ( 0.000 0.000 27.239) 27.239 1.093 ( 0.000 0.000 55.241) 55.241 2.094 ( 0.000 0.000 8.518) 8.518 2.795 ( 0.000 0.000 -9.404) 9.404 2.935 ( 0.000 0.000 -9.576) 9.576 2.993 ( 0.000 0.000 -0.751) 0.751 2.997 ( 0.000 0.000 -5.241) 5.241 3.185 ( 0.000 0.000 -17.240) 17.240 3.186 ( 0.000 0.000 -0.428) 0.428 3.354 ( 0.000 0.000 8.161) 8.161 3.500 ( 0.000 0.000 -1.306) 1.306 3.521 ( 0.000 0.000 -10.701) 10.701 3.636 ( 0.000 0.000 2.824) 2.824 4.036 ( 0.000 0.000 9.423) 9.423 4.381 ( 0.000 0.000 0.180) 0.180 4.601 ( 0.000 0.000 -2.362) 2.362 4.613 ( 0.000 0.000 5.422) 5.422 4.910 ( 0.000 0.000 -9.400) 9.400 5.334 ( 0.000 0.000 2.403) 2.403 5.483 ( 0.000 0.000 0.109) 0.109 5.620 ( 0.000 0.000 19.457) 19.457 5.622 ( 0.000 0.000 -12.176) 12.176 6.019 ( 0.000 0.000 2.152) 2.152 6.264 ( 0.000 0.000 -3.974) 3.974 6.440 ( 0.000 0.000 -8.214) 8.214 6.790 ( 0.000 0.000 -4.108) 4.108 7.034 ( 0.000 0.000 -4.423) 4.423 7.077 ( 0.000 0.000 -6.094) 6.094 7.164 ( 0.000 0.000 0.015) 0.015 7.350 ( 0.000 0.000 -10.201) 10.201 7.578 ( 0.000 0.000 -10.195) 10.195 7.746 ( 0.000 0.000 1.270) 1.270 8.133 ( 0.000 0.000 13.966) 13.966 8.944 ( 0.000 0.000 8.856) 8.856 9.079 ( 0.000 0.000 1.937) 1.937 9.234 ( 0.000 0.000 3.900) 3.900 9.765 ( 0.000 0.000 -0.634) 0.634 9.872 ( 0.000 0.000 2.383) 2.383 10.714 ( 0.000 0.000 -5.912) 5.912 10.786 ( 0.000 0.000 -3.121) 3.121 11.248 ( 0.000 0.000 -1.865) 1.865 11.344 ( 0.000 0.000 -13.685) 13.685 11.384 ( 0.000 0.000 10.279) 10.279 11.712 ( 0.000 0.000 1.923) 1.923 11.967 ( 0.000 0.000 12.168) 12.168 12.131 ( 0.000 0.000 -16.803) 16.803 13.847 ( 0.000 0.000 16.327) 16.327 14.102 ( 0.000 0.000 1.375) 1.375 14.255 ( 0.000 0.000 -3.284) 3.284 14.333 ( 0.000 0.000 8.354) 8.354 14.699 ( 0.000 0.000 -5.039) 5.039 14.702 ( 0.000 0.000 2.116) 2.116 14.896 ( 0.000 0.000 -2.203) 2.203 15.042 ( 0.000 0.000 -3.926) 3.926 15.160 ( 0.000 0.000 -24.361) 24.361 16.550 ( 0.000 0.000 21.009) 21.009 17.512 ( 0.000 0.000 -0.385) 0.385 17.621 ( 0.000 0.000 -0.637) 0.637 17.687 ( 0.000 0.000 -0.251) 0.251 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 19.400 0.000 17.417) 26.071 0.842 ( 23.411 0.000 15.871) 28.284 1.606 ( 39.663 0.000 35.806) 53.434 2.142 ( 4.296 0.000 7.594) 8.725 2.687 ( -7.902 0.000 -8.370) 11.511 2.870 ( -6.892 0.000 -9.740) 11.932 2.985 ( 2.136 0.000 -6.313) 6.665 3.038 ( -2.979 0.000 -2.397) 3.823 3.118 ( -10.345 0.000 -7.129) 12.563 3.180 ( 2.174 0.000 -2.930) 3.648 3.373 ( 4.849 0.000 0.230) 4.855 3.498 ( -0.270 0.000 1.183) 1.213 3.502 ( -1.618 0.000 -8.994) 9.138 3.598 ( 0.033 0.000 -2.318) 2.318 4.148 ( -8.391 0.000 -1.205) 8.477 4.164 ( 10.577 0.000 10.708) 15.052 4.330 ( -13.771 0.000 -1.854) 13.895 4.772 ( 1.870 0.000 14.192) 14.315 4.913 ( 0.287 0.000 -8.193) 8.198 5.327 ( -7.778 0.000 6.081) 9.873 5.479 ( 8.048 0.000 -4.466) 9.204 5.607 ( -0.982 0.000 -10.803) 10.847 5.833 ( 10.335 0.000 8.349) 13.286 5.984 ( -2.717 0.000 4.932) 5.631 6.112 ( -11.940 0.000 -4.979) 12.937 6.334 ( -17.457 0.000 15.168) 23.126 6.447 ( 1.691 0.000 -4.007) 4.349 6.840 ( -2.936 0.000 -2.599) 3.921 6.983 ( -8.890 0.000 -6.777) 11.179 7.243 ( 5.828 0.000 0.678) 5.867 7.339 ( 0.775 0.000 -3.293) 3.383 7.618 ( 5.563 0.000 -2.502) 6.100 7.994 ( 2.655 0.000 3.420) 4.329 8.841 ( -7.668 0.000 8.652) 11.561 8.882 ( 25.587 0.000 -36.903) 44.906 9.160 ( 8.517 0.000 -7.687) 11.473 9.258 ( 2.250 0.000 4.016) 4.604 9.769 ( 0.368 0.000 -1.712) 1.751 9.906 ( 3.008 0.000 4.862) 5.717 10.678 ( -4.861 0.000 1.689) 5.146 10.718 ( -2.751 0.000 -4.488) 5.264 11.180 ( -6.207 0.000 -2.097) 6.551 11.321 ( -1.304 0.000 -11.079) 11.155 11.420 ( 0.817 0.000 8.625) 8.664 11.719 ( 3.610 0.000 -3.720) 5.184 12.225 ( 21.099 0.000 15.473) 26.164 12.316 ( 17.138 0.000 -15.343) 23.003 13.318 ( -28.072 0.000 43.801) 52.025 13.875 ( -1.045 0.000 21.894) 21.919 14.201 ( -8.177 0.000 -11.634) 14.221 14.289 ( 1.894 0.000 -0.719) 2.026 14.455 ( 0.875 0.000 2.245) 2.410 14.544 ( -10.330 0.000 -1.775) 10.481 14.817 ( -2.471 0.000 -2.642) 3.617 15.255 ( 2.674 0.000 -12.432) 12.717 15.750 ( 11.257 0.000 -15.638) 19.269 16.634 ( 7.809 0.000 15.226) 17.112 17.512 ( 0.237 0.000 -1.024) 1.051 17.659 ( 1.262 0.000 -10.219) 10.297 17.667 ( -1.872 0.000 -0.470) 1.930 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 22.497 0.000 8.050) 23.894 1.370 ( 25.202 0.000 6.929) 26.137 2.240 ( 3.321 0.000 3.784) 5.034 2.407 ( 20.511 0.000 17.458) 26.934 2.565 ( 5.898 0.000 -7.302) 9.386 2.677 ( -9.872 0.000 -3.598) 10.508 2.819 ( -14.501 0.000 -3.216) 14.854 2.902 ( -5.636 0.000 -3.767) 6.779 3.057 ( 2.104 0.000 -5.767) 6.138 3.273 ( 8.289 0.000 -1.526) 8.429 3.348 ( -5.757 0.000 -1.734) 6.012 3.474 ( -0.350 0.000 -6.026) 6.036 3.516 ( -1.954 0.000 3.763) 4.240 3.793 ( 18.138 0.000 -9.782) 20.607 3.957 ( -20.090 0.000 0.209) 20.091 4.093 ( 0.095 0.000 -12.461) 12.462 4.435 ( 14.177 0.000 10.903) 17.885 4.816 ( 4.296 0.000 17.384) 17.907 4.922 ( 0.682 0.000 -6.436) 6.472 5.195 ( -4.707 0.000 4.036) 6.201 5.552 ( -1.764 0.000 -9.782) 9.940 5.656 ( 5.699 0.000 -4.780) 7.438 5.743 ( -15.915 0.000 -8.748) 18.161 5.906 ( -4.758 0.000 7.389) 8.788 5.968 ( -4.700 0.000 2.418) 5.286 6.168 ( -1.794 0.000 5.088) 5.395 6.598 ( 13.032 0.000 4.727) 13.863 6.706 ( -10.281 0.000 -4.077) 11.060 6.736 ( -13.311 0.000 -6.779) 14.938 7.342 ( 2.634 0.000 2.292) 3.492 7.376 ( 3.013 0.000 -0.145) 3.016 7.733 ( 4.314 0.000 7.769) 8.887 8.072 ( 5.039 0.000 -0.331) 5.050 8.663 ( -8.531 0.000 6.535) 10.746 9.038 ( 0.253 0.000 -10.441) 10.444 9.299 ( -0.623 0.000 -24.849) 24.857 9.326 ( 4.217 0.000 4.223) 5.968 9.760 ( -1.927 0.000 0.742) 2.065 10.010 ( 7.341 0.000 4.417) 8.568 10.601 ( -0.312 0.000 4.457) 4.468 10.703 ( 0.808 0.000 -4.011) 4.092 11.000 ( -10.589 0.000 -1.983) 10.773 11.270 ( -3.843 0.000 -5.112) 6.395 11.383 ( -4.043 0.000 8.010) 8.972 11.903 ( 13.677 0.000 -10.713) 17.373 12.778 ( 30.372 0.000 17.164) 34.886 12.782 ( 24.273 0.000 -14.696) 28.375 13.107 ( 1.720 0.000 20.727) 20.798 13.829 ( -23.953 0.000 -20.263) 31.374 13.917 ( 5.966 0.000 24.554) 25.268 14.336 ( 2.222 0.000 -4.691) 5.191 14.458 ( -0.044 0.000 6.315) 6.315 14.493 ( 1.888 0.000 3.482) 3.961 14.778 ( -1.720 0.000 -2.379) 2.936 15.189 ( -8.691 0.000 -0.329) 8.697 15.703 ( -11.498 0.000 0.476) 11.508 16.853 ( 12.169 0.000 5.374) 13.303 17.523 ( 0.808 0.000 -2.523) 2.649 17.607 ( -3.957 0.000 -1.050) 4.094 17.657 ( -1.099 0.000 -12.054) 12.104 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 21.192 0.000 3.361) 21.457 1.851 ( 19.183 0.000 0.314) 19.186 2.211 ( -5.166 0.000 -3.864) 6.452 2.365 ( -7.433 0.000 -1.464) 7.575 2.491 ( -6.696 0.000 3.040) 7.354 2.635 ( -3.908 0.000 -1.761) 4.287 2.677 ( -2.361 0.000 0.934) 2.539 2.911 ( -3.913 0.000 -7.237) 8.227 3.104 ( 5.704 0.000 -8.351) 10.113 3.231 ( -3.379 0.000 2.023) 3.938 3.419 ( -6.763 0.000 5.242) 8.556 3.488 ( -3.218 0.000 -3.540) 4.784 3.534 ( -1.825 0.000 2.691) 3.252 3.640 ( 4.788 0.000 6.570) 8.129 4.182 ( 15.672 0.000 -7.428) 17.343 4.221 ( 21.017 0.000 -12.326) 24.365 4.687 ( 7.052 0.000 6.636) 9.683 4.945 ( 1.449 0.000 -5.353) 5.545 4.970 ( 7.181 0.000 8.062) 10.796 5.117 ( -4.498 0.000 -2.592) 5.192 5.438 ( -8.499 0.000 -4.868) 9.794 5.440 ( -9.522 0.000 -5.286) 10.891 5.632 ( -8.675 0.000 -2.478) 9.022 5.781 ( -11.953 0.000 3.406) 12.429 5.906 ( 6.522 0.000 0.020) 6.522 6.170 ( 0.191 0.000 4.801) 4.805 6.439 ( -10.805 0.000 -5.121) 11.957 6.503 ( -9.570 0.000 -6.011) 11.301 6.910 ( 14.781 0.000 6.708) 16.232 7.331 ( -3.912 0.000 4.232) 5.763 7.475 ( 6.305 0.000 3.933) 7.431 7.749 ( -3.197 0.000 12.727) 13.123 8.207 ( 7.515 0.000 -0.766) 7.554 8.502 ( -6.741 0.000 3.186) 7.456 9.029 ( -0.131 0.000 -8.949) 8.950 9.190 ( -7.250 0.000 -16.508) 18.030 9.432 ( 5.745 0.000 4.410) 7.242 9.683 ( -5.064 0.000 3.749) 6.300 10.212 ( 11.491 0.000 1.708) 11.617 10.652 ( 3.992 0.000 -0.967) 4.107 10.738 ( 1.693 0.000 -1.915) 2.556 10.750 ( -12.794 0.000 -1.158) 12.846 11.180 ( -3.508 0.000 1.364) 3.764 11.274 ( -5.699 0.000 7.271) 9.238 12.271 ( 20.808 0.000 -14.927) 25.608 13.182 ( 10.771 0.000 -2.785) 11.125 13.222 ( 7.220 0.000 -6.143) 9.479 13.293 ( -26.112 0.000 -19.164) 32.389 13.452 ( 32.454 0.000 15.746) 36.072 14.183 ( 19.006 0.000 21.097) 28.395 14.382 ( 2.189 0.000 -4.412) 4.925 14.424 ( -6.277 0.000 7.784) 10.000 14.526 ( 2.285 0.000 4.525) 5.070 14.744 ( -1.036 0.000 -1.651) 1.949 14.941 ( -12.469 0.000 5.331) 13.561 15.341 ( -22.139 0.000 8.592) 23.748 17.111 ( 11.781 0.000 -0.159) 11.782 17.498 ( -6.425 0.000 -1.716) 6.650 17.547 ( 1.467 0.000 -4.719) 4.942 17.624 ( -1.866 0.000 -10.215) 10.384 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -5.585 0.000 -4.971) 7.477 2.104 ( 5.585 0.000 -4.971) 7.477 2.107 ( -16.704 0.000 1.436) 16.766 2.107 ( 16.704 0.000 1.436) 16.766 2.507 ( -7.406 0.000 1.938) 7.656 2.507 ( 7.406 0.000 1.938) 7.656 2.743 ( -8.080 0.000 -5.791) 9.941 2.743 ( 8.080 0.000 -5.791) 9.941 3.262 ( -9.336 0.000 -3.793) 10.077 3.262 ( 9.336 0.000 -3.793) 10.077 3.268 ( -6.190 0.000 5.440) 8.240 3.268 ( 6.190 0.000 5.440) 8.240 3.622 ( -5.638 0.000 1.997) 5.981 3.622 ( 5.638 0.000 1.997) 5.981 4.618 ( -14.203 0.000 -7.625) 16.121 4.618 ( 14.203 0.000 -7.625) 16.121 4.745 ( -28.002 0.000 -0.202) 28.002 4.745 ( 28.002 0.000 -0.202) 28.002 4.986 ( -3.737 0.000 -5.721) 6.833 4.986 ( 3.737 0.000 -5.721) 6.833 5.430 ( -9.405 0.000 -1.810) 9.578 5.430 ( 9.405 0.000 -1.810) 9.578 5.515 ( -11.679 0.000 4.726) 12.599 5.515 ( 11.679 0.000 4.726) 12.599 6.078 ( -8.452 0.000 1.868) 8.656 6.078 ( 8.452 0.000 1.868) 8.656 6.364 ( -3.168 0.000 -5.551) 6.391 6.364 ( 3.168 0.000 -5.551) 6.391 7.179 ( -10.355 0.000 5.888) 11.912 7.179 ( 10.355 0.000 5.888) 11.912 7.626 ( -7.453 0.000 9.280) 11.902 7.626 ( 7.453 0.000 9.280) 11.902 8.363 ( -6.941 0.000 1.481) 7.098 8.363 ( 6.941 0.000 1.481) 7.098 9.064 ( -3.922 0.000 -11.329) 11.989 9.064 ( 3.922 0.000 -11.329) 11.989 9.561 ( -6.258 0.000 4.489) 7.701 9.561 ( 6.258 0.000 4.489) 7.701 10.475 ( -13.130 0.000 0.017) 13.130 10.475 ( 13.130 0.000 0.017) 13.130 10.731 ( -2.694 0.000 -2.929) 3.980 10.731 ( 2.694 0.000 -2.929) 3.980 11.172 ( -3.011 0.000 6.057) 6.764 11.172 ( 3.011 0.000 6.057) 6.764 12.754 ( -24.699 0.000 -17.312) 30.162 12.754 ( 24.699 0.000 -17.312) 30.162 13.294 ( -1.324 0.000 -4.867) 5.044 13.294 ( 1.324 0.000 -4.867) 5.044 14.081 ( -25.514 0.000 12.154) 28.261 14.081 ( 25.514 0.000 12.154) 28.261 14.414 ( -0.436 0.000 -1.200) 1.277 14.414 ( 0.436 0.000 -1.200) 1.277 14.769 ( -3.938 0.000 2.149) 4.486 14.769 ( 3.938 0.000 2.149) 4.486 14.818 ( -25.492 0.000 14.983) 29.569 14.818 ( 25.492 0.000 14.983) 29.569 17.334 ( -9.250 0.000 -1.838) 9.431 17.334 ( 9.250 0.000 -1.838) 9.431 17.583 ( -1.912 0.000 -7.456) 7.697 17.583 ( 1.912 0.000 -7.456) 7.697 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 17.413 18.081) 25.103 0.826 ( 0.000 23.262 16.878) 28.740 1.508 ( 0.000 33.552 37.647) 50.428 2.109 ( 0.000 -0.740 7.587) 7.623 2.630 ( 0.000 -11.989 -6.628) 13.699 2.692 ( 0.000 -14.987 -5.748) 16.052 2.859 ( 0.000 -6.086 -9.829) 11.560 3.146 ( 0.000 -2.099 0.879) 2.275 3.187 ( 0.000 2.329 -8.576) 8.887 3.344 ( 0.000 -9.708 -5.493) 11.154 3.388 ( 0.000 12.019 -14.463) 18.805 3.605 ( 0.000 13.154 7.074) 14.936 3.614 ( 0.000 8.363 -0.433) 8.374 3.912 ( 0.000 20.664 -9.624) 22.795 4.086 ( 0.000 2.810 7.780) 8.272 4.332 ( 0.000 -3.734 -0.241) 3.742 4.369 ( 0.000 -8.154 -8.801) 11.998 4.541 ( 0.000 -5.658 7.042) 9.034 4.924 ( 0.000 1.656 -9.655) 9.796 5.225 ( 0.000 -9.186 4.032) 10.032 5.523 ( 0.000 -8.612 -8.562) 12.144 5.637 ( 0.000 1.240 16.978) 17.024 5.814 ( 0.000 -6.920 4.704) 8.368 5.925 ( 0.000 12.713 -7.363) 14.691 6.366 ( 0.000 9.278 -3.625) 9.961 6.469 ( 0.000 -3.264 -3.718) 4.948 6.762 ( 0.000 -2.590 -4.483) 5.178 6.828 ( 0.000 -4.884 -6.641) 8.244 7.092 ( 0.000 1.197 -6.617) 6.725 7.225 ( 0.000 -1.020 -1.456) 1.778 7.313 ( 0.000 -2.956 -8.281) 8.793 7.498 ( 0.000 -5.836 0.350) 5.847 7.751 ( 0.000 0.561 1.844) 1.928 7.993 ( 0.000 -6.886 15.737) 17.178 8.939 ( 0.000 -0.303 8.258) 8.264 9.051 ( 0.000 -2.481 2.952) 3.856 9.393 ( 0.000 14.531 3.083) 14.854 9.941 ( 0.000 6.233 1.608) 6.437 10.003 ( 0.000 12.164 -12.721) 17.600 10.685 ( 0.000 -3.442 -6.851) 7.667 10.803 ( 0.000 1.731 -2.199) 2.798 11.224 ( 0.000 -5.191 -0.488) 5.214 11.331 ( 0.000 -1.155 -14.263) 14.310 11.372 ( 0.000 0.889 6.532) 6.593 11.846 ( 0.000 13.386 2.181) 13.563 11.988 ( 0.000 1.963 11.789) 11.951 12.126 ( 0.000 -0.083 -11.781) 11.781 13.733 ( 0.000 -11.177 15.706) 19.277 14.016 ( 0.000 -14.196 1.979) 14.334 14.064 ( 0.000 -8.533 29.703) 30.905 14.077 ( 0.000 -8.915 -0.265) 8.919 14.346 ( 0.000 -1.447 6.995) 7.143 14.812 ( 0.000 1.699 -5.315) 5.580 15.024 ( 0.000 -1.701 -4.417) 4.733 15.163 ( 0.000 1.036 -24.471) 24.492 15.399 ( 0.000 12.977 -28.477) 31.294 16.576 ( 0.000 2.680 20.214) 20.391 17.262 ( 0.000 -19.412 19.494) 27.511 17.574 ( 0.000 5.390 -0.274) 5.397 17.721 ( 0.000 2.183 0.509) 2.242 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 18.203 10.480 14.667) 25.618 0.970 ( 12.682 16.991 15.291) 26.141 1.896 ( 30.722 24.188 24.587) 46.189 2.135 ( 2.744 -2.248 7.241) 8.064 2.559 ( -6.072 -10.017 -6.463) 13.378 2.647 ( -4.745 -14.542 -2.377) 15.480 2.887 ( 2.484 -7.754 -9.267) 12.336 3.041 ( -9.407 0.754 -1.712) 9.591 3.210 ( 0.746 4.009 -4.659) 6.192 3.272 ( -3.555 -9.214 -9.225) 13.515 3.378 ( -5.979 7.936 -2.867) 10.341 3.570 ( 3.862 10.961 -5.384) 12.808 3.647 ( 0.671 10.392 1.515) 10.524 3.833 ( -5.473 18.951 -10.048) 22.137 4.124 ( -4.083 -4.099 5.481) 7.970 4.154 ( -5.002 0.855 -4.199) 6.586 4.335 ( 1.116 3.288 2.405) 4.224 4.590 ( 2.375 -9.557 11.937) 15.475 4.944 ( 2.058 2.204 -8.315) 8.845 5.306 ( 5.043 -7.028 4.236) 9.632 5.503 ( -1.033 -6.972 -5.622) 9.016 5.591 ( -3.048 3.362 1.573) 4.802 5.799 ( -3.562 -14.035 3.472) 14.890 5.976 ( 3.034 14.117 0.493) 14.447 6.151 ( -14.192 -6.857 5.479) 16.687 6.257 ( -9.323 5.115 1.499) 10.739 6.633 ( -1.878 11.887 -1.671) 12.150 6.802 ( -1.748 -3.355 -3.789) 5.354 6.974 ( -10.514 -1.438 -6.175) 12.278 7.246 ( 4.275 -0.380 -0.570) 4.329 7.326 ( 2.645 -0.817 -2.022) 3.427 7.579 ( 5.240 -3.630 0.425) 6.389 7.988 ( 4.103 -0.363 2.826) 4.995 8.549 ( 33.254 -22.014 -19.038) 44.191 8.845 ( -6.635 0.597 7.387) 9.947 9.087 ( 1.822 -4.053 1.971) 4.861 9.419 ( 2.396 14.361 2.813) 14.829 9.933 ( -0.795 8.318 1.171) 8.437 10.046 ( 3.470 10.989 -9.875) 15.176 10.670 ( -2.675 -4.673 -4.421) 6.967 10.695 ( -5.393 1.931 0.034) 5.728 11.184 ( -5.373 0.104 -6.093) 8.125 11.313 ( -1.154 -4.681 -6.179) 7.837 11.364 ( -1.379 -1.712 4.706) 5.194 11.852 ( 3.693 12.857 -2.360) 13.584 12.232 ( 19.528 1.257 10.984) 22.440 12.328 ( 18.505 1.191 -6.742) 19.731 13.417 ( -18.304 7.686 27.396) 33.832 13.897 ( -2.009 2.220 20.502) 20.719 14.054 ( 0.862 -15.920 -1.211) 15.989 14.183 ( 1.238 -7.949 -3.970) 8.971 14.402 ( 1.935 -4.212 5.098) 6.890 14.543 ( -15.143 0.114 -5.510) 16.115 14.774 ( -8.624 -3.237 -5.289) 10.622 15.257 ( 2.320 0.907 -12.017) 12.273 15.716 ( 7.136 -3.741 -14.278) 16.395 16.664 ( 8.135 3.053 14.349) 16.775 17.408 ( 9.230 -16.818 1.228) 19.223 17.575 ( 0.111 5.149 -0.750) 5.205 17.703 ( -1.763 2.324 0.090) 2.918 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 16.688 6.440 9.898) 20.444 1.403 ( 22.656 2.536 9.173) 24.573 2.173 ( 2.669 -6.273 3.126) 7.500 2.400 ( -8.259 -7.858 -0.976) 11.442 2.503 ( -3.988 -11.147 -2.433) 12.086 2.564 ( 16.759 3.719 2.591) 17.361 2.834 ( -5.542 7.082 2.119) 9.239 2.941 ( -0.679 -7.340 -4.294) 8.531 3.135 ( -3.839 3.463 -7.356) 8.991 3.229 ( -3.080 8.274 0.460) 8.841 3.264 ( -1.495 -14.020 -3.570) 14.545 3.545 ( -2.284 11.031 -2.649) 11.573 3.740 ( -4.860 11.695 -0.304) 12.669 3.825 ( 6.312 1.657 -7.478) 9.925 3.954 ( -1.565 4.525 -1.234) 4.945 4.098 ( 1.645 3.669 -9.712) 10.512 4.526 ( 12.694 7.575 7.408) 16.535 4.673 ( 6.620 -6.529 11.479) 14.773 5.003 ( 3.277 5.110 -5.800) 8.396 5.360 ( -0.782 6.458 7.007) 9.561 5.486 ( -0.850 -6.059 -6.863) 9.194 5.573 ( -0.767 -5.431 -4.387) 7.023 5.673 ( -5.655 -8.498 -3.288) 10.724 5.897 ( -12.092 1.805 1.301) 12.295 5.957 ( -2.240 -1.977 0.378) 3.011 6.158 ( -3.180 1.122 6.101) 6.971 6.663 ( -4.712 -1.848 -1.834) 5.383 6.675 ( -13.882 -3.475 -4.626) 15.040 6.755 ( 3.573 8.216 0.908) 9.005 7.323 ( 2.286 -1.267 0.645) 2.692 7.395 ( 3.568 1.058 1.794) 4.132 7.681 ( 3.670 -4.771 9.656) 11.378 8.102 ( 6.492 3.094 -2.343) 7.563 8.679 ( -7.439 1.440 5.108) 9.139 8.942 ( 5.920 -10.428 -16.467) 20.370 9.121 ( 1.150 -9.627 -6.100) 11.454 9.484 ( 3.628 13.748 2.588) 14.452 9.895 ( -2.998 10.384 3.039) 11.227 10.135 ( 5.239 9.584 -5.314) 12.147 10.590 ( -0.508 -1.290 2.627) 2.970 10.687 ( 1.401 -1.364 -3.723) 4.205 11.017 ( -9.897 1.345 -4.488) 10.950 11.249 ( -4.897 -2.917 -5.589) 7.982 11.304 ( -4.309 -6.907 7.878) 11.329 12.026 ( 12.571 12.245 -8.466) 19.484 12.735 ( 26.344 -0.610 4.552) 26.742 12.842 ( 28.661 2.607 0.839) 28.792 13.217 ( -2.324 9.745 15.240) 18.238 13.872 ( -18.273 3.408 -16.742) 25.016 13.918 ( 3.738 -0.261 20.495) 20.834 14.215 ( 3.637 -12.706 0.883) 13.246 14.331 ( -1.010 -8.493 -0.427) 8.564 14.481 ( 1.616 -3.725 6.595) 7.744 14.661 ( -3.610 -9.588 -3.697) 10.892 15.176 ( -9.912 -0.221 0.299) 9.919 15.646 ( -11.483 -5.387 0.578) 12.697 16.891 ( 12.429 3.652 4.663) 13.768 17.544 ( 3.702 -8.178 -8.378) 12.279 17.579 ( 0.231 4.280 -2.179) 4.808 17.647 ( -3.560 2.504 -1.053) 4.478 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 14.937 -3.754 5.121) 16.230 1.858 ( 19.833 -2.411 4.980) 20.590 2.141 ( -10.150 -9.009 -1.087) 13.615 2.245 ( -0.690 -5.011 -0.250) 5.065 2.461 ( 1.002 -3.664 -0.883) 3.900 2.588 ( -4.101 -3.664 -3.670) 6.612 2.785 ( -5.900 6.191 -1.074) 8.620 2.878 ( -3.549 -4.963 -4.336) 7.484 3.018 ( -5.820 -5.082 -1.994) 7.980 3.164 ( -7.262 -6.213 -1.856) 9.735 3.207 ( -1.847 -9.569 -1.661) 9.886 3.494 ( -12.929 -3.047 0.629) 13.298 3.757 ( 11.157 14.678 2.755) 18.642 3.830 ( 3.784 19.474 2.706) 20.022 4.254 ( 18.840 6.808 -6.697) 21.122 4.289 ( 19.560 7.213 -11.715) 23.914 4.742 ( 6.533 4.210 6.246) 9.971 4.866 ( 8.793 -2.885 1.051) 9.314 5.078 ( 2.835 7.515 -3.768) 8.872 5.303 ( -12.597 7.613 -11.440) 18.641 5.326 ( -4.565 -2.672 -0.538) 5.317 5.442 ( -9.180 -0.872 -0.597) 9.241 5.621 ( -5.823 -0.201 1.125) 5.935 5.796 ( 4.102 -4.368 -0.871) 6.055 5.881 ( -4.155 0.187 6.753) 7.932 6.100 ( -0.894 -5.549 3.417) 6.578 6.364 ( -12.502 -7.104 -3.351) 14.765 6.453 ( -10.974 -4.485 -6.075) 13.321 6.986 ( 12.323 6.691 6.952) 15.652 7.327 ( -2.475 -0.201 3.716) 4.469 7.478 ( 4.853 0.056 4.698) 6.755 7.698 ( -2.408 -4.806 12.794) 13.878 8.252 ( 7.538 4.486 -2.296) 9.067 8.535 ( -6.202 3.195 2.215) 7.319 8.981 ( 0.392 -4.775 -9.778) 10.889 9.090 ( -3.792 -8.175 -11.749) 14.808 9.576 ( 5.197 13.288 3.672) 14.733 9.811 ( -4.855 11.729 4.431) 13.445 10.283 ( 8.955 6.135 -2.053) 11.048 10.628 ( 1.828 -1.533 -1.576) 2.859 10.725 ( 0.324 -0.592 -3.592) 3.655 10.807 ( -7.433 3.145 -1.646) 8.237 11.133 ( -4.885 -4.731 0.461) 6.816 11.198 ( -5.389 -7.351 7.105) 11.556 12.358 ( 18.415 9.030 -11.878) 23.701 13.107 ( -3.866 -1.455 0.676) 4.186 13.257 ( 10.330 4.523 -13.091) 17.278 13.462 ( 12.413 5.908 -0.001) 13.747 13.516 ( 7.019 9.512 0.102) 11.822 14.130 ( 16.129 -6.220 19.150) 25.799 14.300 ( 3.425 -10.559 3.358) 11.597 14.332 ( -0.656 -6.630 -1.769) 6.894 14.499 ( -0.017 -4.298 6.254) 7.589 14.601 ( -1.392 -11.247 -1.497) 11.431 14.879 ( -16.365 -3.596 6.835) 18.096 15.289 ( -21.588 -4.919 8.776) 23.818 17.152 ( 11.831 3.863 -0.549) 12.458 17.532 ( -5.771 2.951 -2.072) 6.805 17.588 ( 0.753 2.259 -5.226) 5.743 17.599 ( 0.149 -1.267 -7.427) 7.535 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -11.438 -10.714 2.011) 15.800 1.904 ( 11.438 -10.714 2.011) 15.800 2.187 ( -9.170 -1.022 -0.142) 9.228 2.187 ( 9.170 -1.022 -0.142) 9.228 2.498 ( -2.799 -0.269 -1.919) 3.405 2.498 ( 2.799 -0.269 -1.919) 3.405 2.756 ( -4.427 0.030 -4.041) 5.994 2.756 ( 4.427 0.030 -4.041) 5.994 3.007 ( -5.516 -13.739 2.676) 15.044 3.007 ( 5.516 -13.739 2.676) 15.044 3.273 ( -7.497 -3.192 -1.445) 8.276 3.273 ( 7.497 -3.192 -1.445) 8.276 3.858 ( -2.308 18.481 0.130) 18.625 3.858 ( 2.308 18.481 0.130) 18.625 4.666 ( -11.589 5.006 -8.470) 15.202 4.666 ( 11.589 5.006 -8.470) 15.202 4.836 ( -23.221 8.091 1.552) 24.639 4.836 ( 23.221 8.091 1.552) 24.639 5.024 ( -2.840 -0.835 -9.613) 10.058 5.024 ( 2.840 -0.835 -9.613) 10.058 5.314 ( -1.090 -1.192 -1.409) 2.143 5.314 ( 1.090 -1.192 -1.409) 2.143 5.663 ( -8.128 7.132 7.101) 12.937 5.663 ( 8.128 7.132 7.101) 12.937 6.013 ( -8.957 -6.512 3.757) 11.694 6.013 ( 8.957 -6.512 3.757) 11.694 6.274 ( -4.656 -8.094 -6.253) 11.238 6.274 ( 4.656 -8.094 -6.253) 11.238 7.210 ( -8.463 2.950 6.229) 10.915 7.210 ( 8.463 2.950 6.229) 10.915 7.599 ( -6.077 -2.716 9.177) 11.337 7.599 ( 6.077 -2.716 9.177) 11.337 8.404 ( -6.649 4.051 0.238) 7.790 8.404 ( 6.649 4.051 0.238) 7.790 9.011 ( -2.836 -5.018 -10.293) 11.797 9.011 ( 2.836 -5.018 -10.293) 11.797 9.696 ( -5.921 12.692 4.408) 14.682 9.696 ( 5.921 12.692 4.408) 14.682 10.497 ( -10.756 2.164 -2.012) 11.154 10.497 ( 10.756 2.164 -2.012) 11.154 10.752 ( -2.765 1.408 -3.792) 4.900 10.752 ( 2.765 1.408 -3.792) 4.900 11.104 ( -2.514 -6.808 6.029) 9.435 11.104 ( 2.514 -6.808 6.029) 9.435 12.774 ( -20.411 3.523 -12.199) 24.038 12.774 ( 20.411 3.523 -12.199) 24.038 13.396 ( -2.480 8.847 -7.197) 11.671 13.396 ( 2.480 8.847 -7.197) 11.671 14.090 ( -23.207 0.337 8.630) 24.762 14.090 ( 23.207 0.337 8.630) 24.762 14.350 ( -1.263 -7.930 0.520) 8.047 14.350 ( 1.263 -7.930 0.520) 8.047 14.583 ( -6.667 -12.735 3.504) 14.795 14.583 ( 6.667 -12.735 3.504) 14.795 14.804 ( -20.173 -3.387 14.233) 24.919 14.804 ( 20.173 -3.387 14.233) 24.919 17.374 ( -9.128 3.677 -1.993) 10.041 17.374 ( 9.128 3.677 -1.993) 10.041 17.599 ( -0.328 1.094 -6.668) 6.766 17.599 ( 0.328 1.094 -6.668) 6.766 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 21.875 8.252) 23.380 1.344 ( 0.000 26.415 8.974) 27.898 1.963 ( 0.000 -13.971 4.277) 14.611 2.159 ( 0.000 21.302 17.772) 27.743 2.348 ( 0.000 -16.444 -1.914) 16.555 2.428 ( 0.000 -6.533 -5.939) 8.829 2.849 ( 0.000 4.336 -6.931) 8.176 2.994 ( 0.000 -7.203 -6.395) 9.632 3.127 ( 0.000 1.806 1.573) 2.395 3.450 ( 0.000 10.971 -5.075) 12.088 3.553 ( 0.000 1.690 -9.715) 9.861 3.748 ( 0.000 4.336 0.941) 4.437 3.826 ( 0.000 7.973 4.794) 9.303 3.980 ( 0.000 -12.635 -1.518) 12.726 4.051 ( 0.000 -2.294 7.762) 8.094 4.318 ( 0.000 -4.292 8.690) 9.692 4.469 ( 0.000 4.442 4.679) 6.451 4.496 ( 0.000 13.961 -26.719) 30.146 4.995 ( 0.000 4.939 -10.939) 12.002 5.061 ( 0.000 -3.690 2.025) 4.209 5.277 ( 0.000 -14.784 -4.703) 15.514 5.516 ( 0.000 -15.772 2.172) 15.921 5.673 ( 0.000 2.915 15.778) 16.046 6.007 ( 0.000 -9.119 15.605) 18.074 6.448 ( 0.000 6.213 -14.348) 15.635 6.594 ( 0.000 11.399 -3.881) 12.042 6.700 ( 0.000 -2.409 -5.189) 5.721 6.890 ( 0.000 6.186 -10.647) 12.314 7.096 ( 0.000 -1.890 -9.762) 9.943 7.109 ( 0.000 -9.480 -2.109) 9.712 7.272 ( 0.000 -0.015 -2.001) 2.002 7.394 ( 0.000 -4.363 4.791) 6.480 7.774 ( 0.000 1.773 3.549) 3.967 7.891 ( 0.000 -3.893 9.296) 10.078 8.937 ( 0.000 0.271 7.116) 7.121 8.995 ( 0.000 -2.640 4.386) 5.119 9.766 ( 0.000 20.890 1.207) 20.925 10.085 ( 0.000 6.754 -0.970) 6.823 10.154 ( 0.000 3.677 -9.080) 9.796 10.536 ( 0.000 -12.069 -4.295) 12.810 10.859 ( 0.000 3.760 0.562) 3.802 11.072 ( 0.000 -7.564 1.914) 7.802 11.311 ( 0.000 -0.336 -15.205) 15.208 11.379 ( 0.000 -1.353 -4.458) 4.658 12.038 ( 0.000 2.690 10.227) 10.575 12.094 ( 0.000 1.572 -2.590) 3.029 12.294 ( 0.000 25.089 4.479) 25.486 13.539 ( 0.000 -29.151 3.569) 29.369 13.632 ( 0.000 1.633 6.148) 6.362 13.924 ( 0.000 -8.449 -1.822) 8.644 14.062 ( 0.000 3.736 22.171) 22.484 14.274 ( 0.000 -5.085 11.680) 12.739 14.858 ( 0.000 2.739 -5.098) 5.787 14.978 ( 0.000 -2.714 -4.851) 5.558 15.224 ( 0.000 4.970 -24.290) 24.793 15.463 ( 0.000 -3.266 -26.069) 26.272 16.659 ( 0.000 5.415 18.762) 19.528 16.972 ( 0.000 -10.593 19.309) 22.024 17.690 ( 0.000 5.218 -0.100) 5.219 17.763 ( 0.000 1.456 0.338) 1.494 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 8.348 17.042 8.735) 20.891 1.395 ( 4.705 23.345 11.038) 26.248 1.962 ( -0.215 -13.927 4.300) 14.577 2.281 ( 2.875 -9.024 6.499) 11.486 2.373 ( 0.920 -2.950 -1.613) 3.486 2.405 ( 3.443 0.082 -1.511) 3.760 2.804 ( -2.861 -0.028 -7.571) 8.094 2.992 ( -3.114 -8.425 -3.960) 9.817 3.107 ( 2.150 10.231 2.871) 10.841 3.384 ( -5.149 9.894 -5.935) 12.634 3.578 ( -2.410 5.878 -5.480) 8.390 3.734 ( 1.554 5.489 -2.712) 6.316 3.811 ( -5.134 1.238 -1.781) 5.573 3.936 ( -0.040 -4.381 -1.028) 4.500 4.004 ( -2.710 -2.863 7.003) 8.036 4.293 ( -2.952 -3.390 -5.305) 6.953 4.491 ( 4.380 14.817 -3.999) 15.960 4.535 ( 5.079 7.664 5.050) 10.490 5.015 ( 2.355 5.109 -8.424) 10.130 5.149 ( 6.569 -5.911 -0.379) 8.845 5.285 ( 0.644 -13.165 -4.244) 13.847 5.486 ( -2.494 -15.502 2.742) 15.939 5.618 ( -3.647 0.914 10.457) 11.113 5.922 ( -7.722 -12.157 9.748) 17.392 6.284 ( -5.832 13.741 -4.925) 15.719 6.454 ( -12.152 11.278 -2.557) 16.775 6.688 ( -2.995 -5.990 -3.393) 7.507 6.856 ( -6.070 2.260 -5.539) 8.522 6.915 ( -5.771 0.907 -3.767) 6.951 7.204 ( 3.709 -4.371 -5.050) 7.640 7.331 ( 4.868 1.936 2.273) 5.711 7.489 ( 5.112 -4.633 6.903) 9.760 7.991 ( 8.974 0.995 0.373) 9.037 8.203 ( 27.457 -11.771 -8.230) 30.987 8.870 ( -4.906 1.931 6.151) 8.101 9.001 ( -0.427 -4.217 3.498) 5.495 9.785 ( 1.780 20.325 0.788) 20.418 10.100 ( 1.223 7.463 0.471) 7.577 10.204 ( 4.336 4.374 -8.094) 10.171 10.518 ( -1.165 -10.778 -3.289) 11.329 10.766 ( -6.007 5.186 -0.474) 7.950 11.094 ( 0.322 -9.551 2.301) 9.830 11.235 ( -6.540 0.176 -11.443) 13.182 11.334 ( -4.627 -2.679 -5.752) 7.853 12.157 ( 9.707 11.134 3.376) 15.152 12.286 ( 17.485 2.129 -1.278) 17.661 12.424 ( 13.394 15.099 9.183) 22.175 13.553 ( -2.285 -10.642 4.883) 11.930 13.605 ( 1.287 -9.927 6.406) 11.884 13.929 ( -0.106 -4.102 3.072) 5.126 14.054 ( 0.543 0.098 13.764) 13.775 14.294 ( 0.784 -6.434 10.205) 12.089 14.568 ( -19.432 2.472 -9.776) 21.892 14.705 ( -15.263 -3.527 -8.259) 17.709 15.314 ( 1.833 4.795 -11.393) 12.496 15.599 ( 3.153 -7.323 -12.395) 14.738 16.758 ( 8.958 6.082 12.540) 16.567 17.113 ( 11.270 -11.954 8.241) 18.380 17.687 ( -0.331 4.980 -0.496) 5.016 17.749 ( -1.353 1.718 0.003) 2.187 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 10.576 7.370 12.222) 17.764 1.532 ( 8.901 13.902 7.744) 18.233 1.960 ( 0.580 -13.943 2.718) 14.217 2.220 ( -7.000 -11.593 4.901) 14.402 2.301 ( -1.586 -5.726 -0.670) 5.979 2.536 ( 1.426 -7.511 -7.568) 10.757 2.760 ( -1.770 -7.542 -4.406) 8.913 2.852 ( -7.141 -7.494 -1.735) 10.496 3.209 ( -4.627 12.287 -2.901) 13.446 3.248 ( -5.073 8.545 -4.274) 10.818 3.460 ( -7.545 7.526 -3.271) 11.147 3.603 ( -5.422 -2.768 -0.360) 6.099 3.832 ( -2.176 2.647 -0.646) 3.487 3.959 ( 15.235 7.379 -7.151) 18.376 4.088 ( 6.725 6.710 0.533) 9.515 4.327 ( 7.199 12.205 -6.656) 15.655 4.628 ( 6.639 3.576 9.475) 12.109 4.699 ( 10.083 8.292 0.359) 13.060 5.107 ( 6.013 4.375 -7.321) 10.435 5.273 ( 3.226 -9.435 1.947) 10.160 5.305 ( 1.969 -9.724 -3.155) 10.411 5.442 ( -0.331 -11.608 -0.021) 11.613 5.562 ( -1.343 0.219 7.715) 7.834 5.800 ( -2.942 -8.618 -1.404) 9.214 6.075 ( -15.526 10.681 -3.921) 19.249 6.245 ( -8.095 6.306 2.657) 10.600 6.548 ( -16.589 -8.220 -2.651) 18.703 6.572 ( -9.474 -5.894 -1.913) 11.321 6.968 ( 6.592 10.393 1.905) 12.453 7.279 ( 3.240 -3.869 -1.595) 5.293 7.420 ( 3.207 1.900 5.958) 7.028 7.570 ( 2.284 -5.339 12.630) 13.901 8.203 ( 9.939 6.959 -6.456) 13.744 8.628 ( 10.374 -11.555 -12.085) 19.677 8.773 ( -2.436 1.332 1.417) 3.118 8.973 ( -2.007 -6.179 0.608) 6.525 9.837 ( 3.153 19.396 0.301) 19.653 10.122 ( 0.518 10.414 3.019) 10.855 10.310 ( 5.206 6.466 -6.696) 10.665 10.515 ( 1.422 -6.907 -1.370) 7.184 10.685 ( -1.050 2.511 -0.716) 2.814 11.036 ( -7.904 -1.532 -4.525) 9.235 11.086 ( -4.855 -9.322 0.248) 10.513 11.189 ( -8.762 -5.088 -4.841) 11.229 12.387 ( 11.940 22.083 -4.873) 25.572 12.765 ( 26.094 3.177 2.931) 26.449 12.873 ( 27.911 0.817 7.725) 28.972 13.447 ( -5.998 10.411 5.611) 13.261 13.681 ( 4.007 -22.736 4.410) 23.504 13.933 ( 0.271 0.832 3.201) 3.319 14.092 ( -2.931 2.413 -1.797) 4.200 14.121 ( -9.506 -9.796 0.977) 13.685 14.357 ( -0.750 -6.535 6.427) 9.197 14.480 ( -6.285 -7.724 -5.306) 11.284 15.216 ( -10.992 4.314 1.074) 11.857 15.504 ( -11.397 -8.087 0.852) 14.001 16.998 ( 12.767 6.762 3.026) 14.761 17.348 ( 9.812 -9.925 -3.152) 14.308 17.675 ( -0.938 4.116 -1.554) 4.498 17.705 ( -2.906 2.470 -0.924) 3.924 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 5.392 2.545 11.229) 12.714 1.766 ( 8.972 -2.818 5.237) 10.764 1.980 ( -0.436 -9.381 0.510) 9.405 2.074 ( -2.259 -9.415 4.646) 10.739 2.352 ( 5.812 -6.248 0.921) 8.583 2.508 ( -2.288 -7.997 -5.959) 10.233 2.683 ( -4.908 -9.256 1.299) 10.557 2.724 ( -7.120 -6.068 -3.205) 9.889 3.044 ( -6.428 3.243 -2.955) 7.783 3.097 ( -7.893 8.628 -2.438) 11.945 3.215 ( -9.448 0.544 -4.860) 10.639 3.422 ( -11.374 -4.064 -0.911) 12.113 4.058 ( 13.023 12.888 -4.253) 18.809 4.219 ( 4.920 14.307 -8.385) 17.298 4.403 ( 26.402 11.101 -1.658) 28.689 4.542 ( 12.254 14.524 -8.784) 20.935 4.748 ( 4.729 -2.611 3.859) 6.639 4.891 ( 6.665 1.842 -2.973) 7.527 5.168 ( -8.190 -1.014 -2.821) 8.721 5.251 ( 4.349 4.345 -6.047) 8.623 5.373 ( 0.724 -2.998 0.172) 3.089 5.507 ( 1.012 -6.766 -2.299) 7.217 5.588 ( 5.019 1.120 8.152) 9.638 5.687 ( -9.813 1.844 2.622) 10.324 5.853 ( 1.072 -4.281 -3.540) 5.657 6.028 ( -11.638 -1.834 2.957) 12.147 6.188 ( -15.516 -7.602 3.378) 17.605 6.339 ( -12.681 -6.449 -4.247) 14.847 7.144 ( 8.805 8.101 7.029) 13.876 7.326 ( 0.827 -0.157 2.624) 2.756 7.470 ( 1.880 -0.728 6.866) 7.156 7.576 ( -1.715 -6.478 13.081) 14.697 8.388 ( 7.616 8.705 -5.731) 12.908 8.625 ( -4.196 5.260 -0.519) 6.749 8.830 ( 3.027 -9.587 -10.835) 14.781 8.924 ( -2.560 -7.561 -3.884) 8.877 9.922 ( 5.011 19.396 1.338) 20.078 10.110 ( -1.926 16.138 4.554) 16.878 10.420 ( 5.572 6.236 -5.315) 9.909 10.575 ( 3.363 -5.107 -2.734) 6.699 10.706 ( 1.678 -0.727 -2.612) 3.189 10.847 ( -7.312 0.725 -3.559) 8.165 10.985 ( -7.376 -11.510 4.752) 14.473 11.002 ( -6.205 -8.586 -1.919) 10.765 12.659 ( 13.784 20.694 -5.955) 25.568 13.184 ( -0.309 8.835 2.467) 9.178 13.387 ( 9.894 7.691 -7.211) 14.458 13.503 ( 29.204 -1.535 1.977) 29.311 13.744 ( -5.229 5.707 -5.124) 9.283 13.807 ( 4.000 -20.454 2.760) 21.023 14.046 ( 1.909 -14.976 5.039) 15.916 14.186 ( 3.913 -5.549 1.368) 6.926 14.321 ( -1.304 -7.013 1.687) 7.330 14.444 ( 3.134 -6.604 7.170) 10.239 14.880 ( -19.882 3.746 8.982) 22.136 15.157 ( -20.727 -7.642 9.161) 23.915 17.258 ( 11.441 6.274 -1.561) 13.142 17.511 ( 5.821 -4.985 -5.891) 9.667 17.612 ( -5.228 3.578 -1.886) 6.610 17.656 ( -1.726 2.235 -3.282) 4.330 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -6.482 -3.829 7.210) 10.424 1.736 ( 6.482 -3.829 7.210) 10.424 2.062 ( -3.917 -11.464 2.073) 12.291 2.062 ( 3.917 -11.464 2.073) 12.291 2.468 ( -2.308 -2.102 -4.243) 5.268 2.468 ( 2.308 -2.102 -4.243) 5.268 2.606 ( -1.221 -9.596 2.389) 9.964 2.606 ( 1.221 -9.596 2.389) 9.964 2.970 ( -2.013 7.019 -1.641) 7.485 2.970 ( 2.013 7.019 -1.641) 7.485 3.216 ( -7.151 -3.104 -2.211) 8.103 3.216 ( 7.151 -3.104 -2.211) 8.103 4.236 ( -3.939 17.196 -6.289) 18.728 4.236 ( 3.939 17.196 -6.289) 18.728 4.760 ( -6.052 -4.314 -14.192) 16.020 4.760 ( 6.052 -4.314 -14.192) 16.020 4.917 ( -11.163 6.397 -4.625) 13.672 4.917 ( 11.163 6.397 -4.625) 13.672 5.100 ( -18.182 11.884 4.103) 22.105 5.100 ( 18.182 11.884 4.103) 22.105 5.368 ( -3.552 1.633 -4.236) 5.764 5.368 ( 3.552 1.633 -4.236) 5.764 5.763 ( -8.912 -1.380 6.017) 10.841 5.763 ( 8.912 -1.380 6.017) 10.841 5.822 ( -12.000 -7.153 9.617) 16.960 5.822 ( 12.000 -7.153 9.617) 16.960 6.087 ( -9.291 -9.117 -5.945) 14.311 6.087 ( 9.291 -9.117 -5.945) 14.311 7.292 ( -4.523 4.956 7.182) 9.829 7.292 ( 4.523 4.956 7.182) 9.829 7.518 ( -2.964 -5.066 8.876) 10.641 7.518 ( 2.964 -5.066 8.876) 10.641 8.525 ( -5.503 7.639 -2.516) 9.745 8.525 ( 5.503 7.639 -2.516) 9.745 8.875 ( -1.965 -8.035 -7.971) 11.488 8.875 ( 1.965 -8.035 -7.971) 11.488 10.034 ( -5.031 19.413 3.544) 20.365 10.034 ( 5.031 19.413 3.544) 20.365 10.549 ( -6.107 1.799 -4.787) 7.965 10.549 ( 6.107 1.799 -4.787) 7.965 10.755 ( -4.913 -1.590 -5.667) 7.667 10.755 ( 4.913 -1.590 -5.667) 7.667 10.907 ( -2.722 -11.411 5.755) 13.067 10.907 ( 2.722 -11.411 5.755) 13.067 12.957 ( -14.144 15.103 -4.360) 21.146 12.957 ( 14.144 15.103 -4.360) 21.146 13.588 ( -6.069 7.387 -6.662) 11.653 13.588 ( 6.069 7.387 -6.662) 11.653 13.988 ( -6.837 -19.844 -0.460) 20.994 13.988 ( 6.837 -19.844 -0.460) 20.994 14.063 ( -16.303 -7.124 -4.450) 18.340 14.063 ( 16.303 -7.124 -4.450) 18.340 14.469 ( -14.032 1.230 11.300) 18.058 14.469 ( 14.032 1.230 11.300) 18.058 14.697 ( -19.859 -6.579 15.320) 25.930 14.697 ( 19.859 -6.579 15.320) 25.930 17.467 ( -8.356 5.062 -2.508) 10.086 17.467 ( 8.356 5.062 -2.508) 10.086 17.606 ( -3.174 -0.797 -5.034) 6.004 17.606 ( 3.174 -0.797 -5.034) 6.004 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 -20.319 3.490) 20.617 1.589 ( 0.000 20.319 3.490) 20.617 1.873 ( 0.000 -23.903 5.678) 24.568 1.873 ( 0.000 23.903 5.678) 24.568 2.374 ( 0.000 -0.330 -3.558) 3.573 2.374 ( 0.000 0.330 -3.558) 3.573 2.945 ( 0.000 -3.267 -5.058) 6.022 2.945 ( 0.000 3.267 -5.058) 6.022 3.361 ( 0.000 -18.274 3.896) 18.685 3.361 ( 0.000 18.274 3.896) 18.685 3.700 ( 0.000 -13.389 -5.036) 14.304 3.700 ( 0.000 13.389 -5.036) 14.304 3.836 ( 0.000 -4.543 -0.953) 4.642 3.836 ( 0.000 4.543 -0.953) 4.642 4.132 ( 0.000 -9.495 11.436) 14.864 4.132 ( 0.000 9.495 11.436) 14.864 4.636 ( 0.000 -3.746 -9.646) 10.348 4.636 ( 0.000 3.746 -9.646) 10.348 5.026 ( 0.000 -5.681 -9.282) 10.882 5.026 ( 0.000 5.681 -9.282) 10.882 5.219 ( 0.000 -13.124 0.852) 13.152 5.219 ( 0.000 13.124 0.852) 13.152 5.791 ( 0.000 -9.143 16.155) 18.563 5.791 ( 0.000 9.143 16.155) 18.563 6.587 ( 0.000 -5.833 -9.852) 11.449 6.587 ( 0.000 5.833 -9.852) 11.449 6.875 ( 0.000 -12.580 -2.274) 12.784 6.875 ( 0.000 12.580 -2.274) 12.784 7.014 ( 0.000 -5.387 -10.697) 11.977 7.014 ( 0.000 5.387 -10.697) 11.977 7.314 ( 0.000 -3.419 2.680) 4.344 7.314 ( 0.000 3.419 2.680) 4.344 7.822 ( 0.000 -2.949 5.885) 6.582 7.822 ( 0.000 2.949 5.885) 6.582 8.953 ( 0.000 -1.404 5.803) 5.970 8.953 ( 0.000 1.404 5.803) 5.970 10.157 ( 0.000 -7.431 -4.247) 8.559 10.157 ( 0.000 7.431 -4.247) 8.559 10.214 ( 0.000 -14.590 -1.663) 14.685 10.214 ( 0.000 14.590 -1.663) 14.685 10.949 ( 0.000 -4.944 2.552) 5.564 10.949 ( 0.000 4.944 2.552) 5.564 11.332 ( 0.000 -2.333 -12.836) 13.046 11.332 ( 0.000 2.333 -12.836) 13.046 12.085 ( 0.000 -1.626 6.028) 6.244 12.085 ( 0.000 1.626 6.028) 6.244 12.901 ( 0.000 -32.319 4.357) 32.611 12.901 ( 0.000 32.319 4.357) 32.611 13.745 ( 0.000 -8.289 -0.751) 8.323 13.745 ( 0.000 8.289 -0.751) 8.323 14.162 ( 0.000 -5.598 16.913) 17.815 14.162 ( 0.000 5.598 16.913) 17.815 14.918 ( 0.000 -3.092 -4.937) 5.825 14.918 ( 0.000 3.092 -4.937) 5.825 15.349 ( 0.000 -6.762 -24.337) 25.259 15.349 ( 0.000 6.762 -24.337) 25.259 16.792 ( 0.000 -7.591 18.081) 19.610 16.792 ( 0.000 7.591 18.081) 19.610 17.763 ( 0.000 -1.749 0.090) 1.751 17.763 ( 0.000 1.749 0.090) 1.751 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 1.979 -18.424 4.113) 18.981 1.611 ( 1.979 18.424 4.113) 18.981 1.878 ( 0.391 -22.765 8.187) 24.195 1.878 ( 0.391 22.765 8.187) 24.195 2.376 ( -0.502 -3.562 -5.036) 6.189 2.376 ( -0.502 3.562 -5.036) 6.189 2.872 ( -6.140 -5.143 -5.872) 9.931 2.872 ( -6.140 5.143 -5.872) 9.931 3.453 ( 6.432 -14.825 -0.746) 16.177 3.453 ( 6.432 14.825 -0.746) 16.177 3.632 ( -4.970 -10.564 -1.965) 11.839 3.632 ( -4.970 10.564 -1.965) 11.839 3.851 ( -1.327 -5.052 -0.982) 5.315 3.851 ( -1.327 5.052 -0.982) 5.315 4.097 ( 1.931 -10.152 8.121) 13.143 4.097 ( 1.931 10.152 8.121) 13.143 4.702 ( 5.002 -2.094 -7.628) 9.359 4.702 ( 5.002 2.094 -7.628) 9.359 5.065 ( 2.870 -3.366 -6.902) 8.198 5.065 ( 2.870 3.366 -6.902) 8.198 5.209 ( -0.164 -11.167 1.664) 11.291 5.209 ( -0.164 11.167 1.664) 11.291 5.704 ( -5.747 -8.196 11.167) 14.996 5.704 ( -5.747 8.196 11.167) 14.996 6.517 ( -5.675 -9.089 -4.993) 11.822 6.517 ( -5.675 9.089 -4.993) 11.822 6.698 ( -12.471 -10.465 -2.768) 16.514 6.698 ( -12.471 10.465 -2.768) 16.514 7.072 ( 2.808 -8.017 -6.238) 10.539 7.072 ( 2.808 8.017 -6.238) 10.539 7.399 ( 5.446 -4.229 7.290) 10.034 7.399 ( 5.446 4.229 7.290) 10.034 8.044 ( 17.247 -4.650 -3.825) 18.268 8.044 ( 17.247 4.650 -3.825) 18.268 8.924 ( -2.619 -3.295 4.813) 6.394 8.924 ( -2.619 3.295 4.813) 6.394 10.156 ( 0.184 -9.456 -4.039) 10.284 10.156 ( 0.184 9.456 -4.039) 10.284 10.263 ( 4.367 -7.510 -0.701) 8.715 10.263 ( 4.367 7.510 -0.701) 8.715 10.905 ( -3.569 -8.342 1.966) 9.284 10.905 ( -3.569 8.342 1.966) 9.284 11.270 ( -5.919 -2.921 -11.258) 13.050 11.270 ( -5.919 2.921 -11.258) 13.050 12.269 ( 16.940 -2.832 5.189) 17.942 12.269 ( 16.940 2.832 5.189) 17.942 12.952 ( 4.666 -31.156 4.346) 31.802 12.952 ( 4.666 31.156 4.346) 31.802 13.761 ( 1.168 -9.426 -0.198) 9.500 13.761 ( 1.168 9.426 -0.198) 9.500 14.155 ( -0.943 -6.762 15.639) 17.064 14.155 ( -0.943 6.762 15.639) 17.064 14.632 ( -18.664 -3.575 -9.859) 21.408 14.632 ( -18.664 3.575 -9.859) 21.408 15.443 ( 1.850 -7.509 -11.454) 13.820 15.443 ( 1.850 7.509 -11.454) 13.820 16.907 ( 10.105 -8.630 10.625) 17.014 16.907 ( 10.105 8.630 10.625) 17.014 17.755 ( -0.837 -1.486 -0.250) 1.724 17.755 ( -0.837 1.486 -0.250) 1.724 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 3.070 -12.730 5.708) 14.285 1.666 ( 3.070 12.730 5.708) 14.285 1.886 ( 0.266 -18.434 9.457) 20.720 1.886 ( 0.266 18.434 9.457) 20.720 2.338 ( -2.639 -7.745 -2.720) 8.623 2.338 ( -2.639 7.745 -2.720) 8.623 2.740 ( -5.312 -3.431 -5.911) 8.656 2.740 ( -5.312 3.431 -5.911) 8.656 3.366 ( -11.575 -4.287 -7.905) 14.658 3.366 ( -11.575 4.287 -7.905) 14.658 3.536 ( -9.173 -5.097 -0.993) 10.541 3.536 ( -9.173 5.097 -0.993) 10.541 3.947 ( 13.703 -6.400 -4.873) 15.889 3.947 ( 13.703 6.400 -4.873) 15.889 4.303 ( 16.161 -11.399 8.694) 21.603 4.303 ( 16.161 11.399 8.694) 21.603 4.785 ( 1.672 -4.243 -7.564) 8.833 4.785 ( 1.672 4.243 -7.564) 8.833 5.142 ( 4.836 -1.696 -1.526) 5.347 5.142 ( 4.836 1.696 -1.526) 5.347 5.240 ( 3.320 -6.835 2.142) 7.894 5.240 ( 3.320 6.835 2.142) 7.894 5.629 ( -0.925 -6.978 3.583) 7.898 5.629 ( -0.925 6.978 3.583) 7.898 6.287 ( -16.947 -7.643 -5.551) 19.402 6.287 ( -16.947 7.643 -5.551) 19.402 6.451 ( -10.433 -3.980 2.021) 11.348 6.451 ( -10.433 3.980 2.021) 11.348 7.156 ( 5.413 -7.959 -0.706) 9.651 7.156 ( 5.413 7.959 -0.706) 9.651 7.479 ( 1.797 -3.734 11.084) 11.834 7.479 ( 1.797 3.734 11.084) 11.834 8.384 ( 13.175 -10.827 -10.397) 19.973 8.384 ( 13.175 10.827 -10.397) 19.973 8.856 ( -3.559 -5.303 2.218) 6.761 8.856 ( -3.559 5.303 2.218) 6.761 10.180 ( 2.549 -10.209 -4.254) 11.350 10.180 ( 2.549 10.209 -4.254) 11.350 10.375 ( 5.662 -2.456 1.781) 6.423 10.375 ( 5.662 2.456 1.781) 6.423 10.823 ( -3.891 -10.795 2.008) 11.649 10.823 ( -3.891 10.795 2.008) 11.649 11.096 ( -10.051 -3.460 -8.849) 13.831 11.096 ( -10.051 3.460 -8.849) 13.831 12.743 ( 25.881 -8.072 0.377) 27.113 12.743 ( 25.881 8.072 0.377) 27.113 13.093 ( 9.144 -24.714 5.814) 26.985 13.093 ( 9.144 24.714 5.814) 26.985 13.758 ( -2.977 -13.935 2.495) 14.467 13.758 ( -2.977 13.935 2.495) 14.467 14.096 ( -4.485 -4.264 3.507) 7.113 14.096 ( -4.485 4.264 3.507) 7.113 14.339 ( -6.851 -5.375 -2.469) 9.051 14.339 ( -6.851 5.375 -2.469) 9.051 15.340 ( -11.255 -7.547 1.139) 13.599 15.340 ( -11.255 7.547 1.139) 13.599 17.157 ( 12.308 -8.761 0.622) 15.121 17.157 ( 12.308 8.761 0.622) 15.121 17.726 ( -2.004 -0.693 -1.181) 2.427 17.726 ( -2.004 0.693 -1.181) 2.427 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 2.950 -8.864 7.744) 12.134 1.730 ( 2.950 8.864 7.744) 12.134 1.877 ( -1.834 -10.037 6.247) 11.964 1.877 ( -1.834 10.037 6.247) 11.964 2.322 ( 3.031 -5.075 0.385) 5.924 2.322 ( 3.031 5.075 0.385) 5.924 2.648 ( -4.884 -1.829 -3.893) 6.508 2.648 ( -4.884 1.829 -3.893) 6.508 3.135 ( -7.688 -4.137 -5.612) 10.379 3.135 ( -7.688 4.137 -5.612) 10.379 3.308 ( -10.918 -7.218 -1.000) 13.127 3.308 ( -10.918 7.218 -1.000) 13.127 4.260 ( 14.599 -6.205 -12.018) 19.901 4.260 ( 14.599 6.205 -12.018) 19.901 4.691 ( 8.760 -6.392 1.360) 10.929 4.691 ( 8.760 6.392 1.360) 10.929 4.778 ( 7.841 -11.336 -7.193) 15.547 4.778 ( 7.841 11.336 -7.193) 15.547 5.241 ( 3.325 -5.264 1.341) 6.369 5.241 ( 3.325 5.264 1.341) 6.369 5.336 ( 4.748 -4.170 4.186) 7.580 5.336 ( 4.748 4.170 4.186) 7.580 5.672 ( 4.748 -6.887 -2.569) 8.751 5.672 ( 4.748 6.887 -2.569) 8.751 5.888 ( -18.628 -8.936 0.561) 20.668 5.888 ( -18.628 8.936 0.561) 20.668 6.205 ( -13.187 -6.153 1.815) 14.665 6.205 ( -13.187 6.153 1.815) 14.665 7.285 ( 6.332 -4.902 4.139) 9.014 7.285 ( 6.332 4.902 4.139) 9.014 7.476 ( -1.919 -2.403 11.039) 11.459 7.476 ( -1.919 2.403 11.039) 11.459 8.588 ( 6.787 -10.194 -9.153) 15.289 8.588 ( 6.787 10.194 -9.153) 15.289 8.780 ( -3.668 -6.316 -1.365) 7.430 8.780 ( -3.668 6.316 -1.365) 7.430 10.273 ( 6.205 -10.322 -3.382) 12.509 10.273 ( 6.205 10.322 -3.382) 12.509 10.469 ( 2.191 -3.697 3.189) 5.352 10.469 ( 2.191 3.697 3.189) 5.352 10.749 ( -2.789 -7.323 1.436) 7.967 10.749 ( -2.789 7.323 1.436) 7.967 10.882 ( -9.157 -2.920 -6.562) 11.637 10.882 ( -9.157 2.920 -6.562) 11.637 13.161 ( 11.576 -26.430 -2.924) 29.002 13.161 ( 11.576 26.430 -2.924) 29.002 13.421 ( 17.811 -10.075 4.180) 20.886 13.421 ( 17.811 10.075 4.180) 20.886 13.633 ( -3.121 -13.535 -0.337) 13.894 13.633 ( -3.121 13.535 -0.337) 13.894 14.035 ( -2.308 -9.262 -8.230) 12.604 14.035 ( -2.308 9.262 -8.230) 12.604 14.316 ( 4.179 -4.954 10.184) 12.071 14.316 ( 4.179 4.954 10.184) 12.071 15.000 ( -20.217 -7.362 9.444) 23.497 15.000 ( -20.217 7.362 9.444) 23.497 17.391 ( 9.665 -6.540 -3.285) 12.123 17.391 ( 9.665 6.540 -3.285) 12.123 17.666 ( -3.809 -1.269 -2.445) 4.701 17.666 ( -3.809 1.269 -2.445) 4.701 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -3.454 -10.219 6.832) 12.768 1.804 ( 2.700 -10.162 6.832) 12.539 1.804 ( -2.700 10.162 6.832) 12.539 1.804 ( 3.454 10.219 6.832) 12.768 2.480 ( -8.914 -2.534 -1.427) 9.376 2.480 ( -7.738 -1.235 -1.427) 7.965 2.480 ( 7.738 1.235 -1.427) 7.965 2.480 ( 8.914 2.534 -1.427) 9.376 3.121 ( -5.644 -6.473 -2.103) 8.842 3.121 ( 5.266 -6.393 -2.103) 8.546 3.121 ( -5.266 6.393 -2.103) 8.546 3.121 ( 5.644 6.473 -2.103) 8.842 4.541 ( -7.717 -12.535 -11.858) 18.902 4.541 ( -0.738 -11.932 -11.858) 16.838 4.541 ( 0.738 11.932 -11.858) 16.838 4.541 ( 7.717 12.535 -11.858) 18.902 5.158 ( -12.648 -10.067 -5.029) 16.930 5.158 ( 2.547 -7.936 -5.029) 9.734 5.158 ( -2.547 7.936 -5.029) 9.734 5.158 ( 12.648 10.067 -5.029) 16.930 5.487 ( -10.238 -14.123 7.992) 19.187 5.487 ( 4.658 -13.367 7.992) 16.255 5.487 ( -4.658 13.367 7.992) 16.255 5.487 ( 10.238 14.123 7.992) 19.187 5.919 ( -12.438 -7.300 0.630) 14.436 5.919 ( 0.234 -3.826 0.630) 3.884 5.919 ( -0.234 3.826 0.630) 3.884 5.919 ( 12.438 7.300 0.630) 14.436 7.404 ( -2.262 -5.469 8.220) 10.129 7.404 ( -1.260 -5.388 8.220) 9.909 7.404 ( 1.260 5.388 8.220) 9.909 7.404 ( 2.262 5.469 8.220) 10.129 8.698 ( -3.826 -8.963 -5.346) 11.116 8.698 ( 3.212 -8.902 -5.346) 10.870 8.698 ( -3.212 8.902 -5.346) 10.870 8.698 ( 3.826 8.963 -5.346) 11.116 10.419 ( -4.576 -16.003 0.075) 16.645 10.419 ( 2.933 -15.907 0.075) 16.175 10.419 ( -2.933 15.907 0.075) 16.175 10.419 ( 4.576 16.004 0.075) 16.645 10.748 ( -2.762 -3.369 -1.987) 4.788 10.748 ( 0.742 -3.095 -1.987) 3.752 10.748 ( -0.742 3.095 -1.987) 3.752 10.748 ( 2.762 3.369 -1.987) 4.788 13.366 ( -8.782 -23.285 0.763) 24.898 13.366 ( 8.407 -23.250 0.763) 24.735 13.366 ( -8.407 23.250 0.763) 24.735 13.366 ( 8.782 23.285 0.763) 24.898 13.903 ( -12.116 -8.415 -10.035) 17.841 13.903 ( 11.998 -8.373 -10.035) 17.742 13.903 ( -11.998 8.373 -10.035) 17.742 13.903 ( 12.116 8.415 -10.035) 17.841 14.559 ( -18.826 -6.402 15.355) 25.123 14.559 ( -17.480 5.363 15.355) 23.876 14.559 ( 17.480 -5.363 15.355) 23.876 14.559 ( 18.826 6.402 15.355) 25.123 17.560 ( -6.409 -3.680 -3.519) 8.185 17.560 ( 4.521 -2.896 -3.519) 6.419 17.560 ( -4.521 2.896 -3.519) 6.419 17.560 ( 6.409 3.680 -3.519) 8.185 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 0.000 24.648) 24.648 1.056 ( 0.000 0.000 25.934) 25.934 2.120 ( 0.000 0.000 48.087) 48.087 2.267 ( 0.000 0.000 7.412) 7.412 2.516 ( 0.000 0.000 -16.353) 16.353 2.754 ( 0.000 0.000 -8.748) 8.748 2.818 ( 0.000 0.000 -18.665) 18.665 2.925 ( 0.000 0.000 -5.805) 5.805 2.951 ( 0.000 0.000 0.212) 0.212 3.171 ( 0.000 0.000 -6.191) 6.191 3.302 ( 0.000 0.000 -5.063) 5.063 3.429 ( 0.000 0.000 -0.332) 0.332 3.465 ( 0.000 0.000 -2.302) 2.302 3.785 ( 0.000 0.000 12.129) 12.129 4.232 ( 0.000 0.000 10.660) 10.660 4.360 ( 0.000 0.000 -2.389) 2.389 4.530 ( 0.000 0.000 -4.370) 4.370 4.767 ( 0.000 0.000 9.222) 9.222 4.786 ( 0.000 0.000 -3.362) 3.362 5.321 ( 0.000 0.000 -17.475) 17.475 5.345 ( 0.000 0.000 -1.757) 1.757 5.479 ( 0.000 0.000 -0.824) 0.824 6.003 ( 0.000 0.000 18.210) 18.210 6.040 ( 0.000 0.000 -0.622) 0.622 6.160 ( 0.000 0.000 -5.499) 5.499 6.229 ( 0.000 0.000 -12.694) 12.694 6.655 ( 0.000 0.000 -13.333) 13.333 6.885 ( 0.000 0.000 -11.375) 11.375 6.930 ( 0.000 0.000 -5.533) 5.533 7.132 ( 0.000 0.000 -7.835) 7.835 7.145 ( 0.000 0.000 -2.320) 2.320 7.417 ( 0.000 0.000 -6.813) 6.813 7.837 ( 0.000 0.000 6.954) 6.954 8.342 ( 0.000 0.000 6.306) 6.306 9.146 ( 0.000 0.000 11.191) 11.191 9.177 ( 0.000 0.000 8.784) 8.784 9.345 ( 0.000 0.000 7.201) 7.201 9.748 ( 0.000 0.000 -1.140) 1.140 9.941 ( 0.000 0.000 4.760) 4.760 10.546 ( 0.000 0.000 -10.692) 10.692 10.707 ( 0.000 0.000 -4.762) 4.762 11.018 ( 0.000 0.000 -18.118) 18.118 11.144 ( 0.000 0.000 -9.163) 9.163 11.439 ( 0.000 0.000 -12.381) 12.381 11.824 ( 0.000 0.000 10.188) 10.188 12.018 ( 0.000 0.000 13.851) 13.851 12.304 ( 0.000 0.000 21.752) 21.752 14.073 ( 0.000 0.000 -17.908) 17.908 14.116 ( 0.000 0.000 -1.367) 1.367 14.177 ( 0.000 0.000 15.820) 15.820 14.484 ( 0.000 0.000 5.378) 5.378 14.538 ( 0.000 0.000 -11.591) 11.591 14.760 ( 0.000 0.000 -12.892) 12.892 14.763 ( 0.000 0.000 4.047) 4.047 14.844 ( 0.000 0.000 -2.928) 2.928 14.968 ( 0.000 0.000 -2.185) 2.185 16.946 ( 0.000 0.000 18.508) 18.508 17.503 ( 0.000 0.000 -0.453) 0.453 17.602 ( 0.000 0.000 -1.311) 1.311 17.677 ( 0.000 0.000 -0.849) 0.849 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 10.795 0.000 22.143) 24.634 1.206 ( 14.202 0.000 19.996) 24.526 2.284 ( 1.078 0.000 4.918) 5.034 2.341 ( 14.391 0.000 25.179) 29.002 2.552 ( 6.238 0.000 2.385) 6.679 2.686 ( -4.397 0.000 -8.756) 9.798 2.800 ( -4.384 0.000 -7.051) 8.303 2.853 ( -0.366 0.000 -15.444) 15.448 3.062 ( 0.482 0.000 2.651) 2.695 3.102 ( -2.108 0.000 -4.779) 5.224 3.285 ( 0.273 0.000 -11.282) 11.286 3.386 ( -1.920 0.000 -0.395) 1.960 3.523 ( 3.075 0.000 -1.226) 3.310 3.646 ( -7.576 0.000 8.815) 11.623 4.168 ( -14.290 0.000 2.534) 14.513 4.284 ( -14.083 0.000 -2.750) 14.349 4.387 ( 11.742 0.000 11.635) 16.530 4.800 ( 1.042 0.000 -3.331) 3.490 4.957 ( 8.443 0.000 5.403) 10.024 5.311 ( -0.312 0.000 -15.800) 15.803 5.390 ( -7.071 0.000 0.879) 7.126 5.413 ( 5.258 0.000 -3.873) 6.531 5.908 ( -13.681 0.000 -5.747) 14.839 6.042 ( -2.654 0.000 -0.667) 2.737 6.044 ( -0.040 0.000 0.319) 0.321 6.415 ( 13.522 0.000 3.908) 14.075 6.535 ( -12.513 0.000 4.556) 13.317 6.662 ( -6.643 0.000 -16.516) 17.802 6.857 ( -9.202 0.000 -4.900) 10.425 7.224 ( 6.429 0.000 -5.718) 8.604 7.242 ( 7.461 0.000 -1.141) 7.548 7.594 ( 11.574 0.000 -0.716) 11.596 7.992 ( 8.115 0.000 -4.226) 9.149 8.459 ( 10.298 0.000 -6.226) 12.034 9.055 ( -8.126 0.000 12.597) 14.991 9.181 ( -0.522 0.000 5.148) 5.174 9.373 ( 2.567 0.000 7.529) 7.954 9.750 ( 0.696 0.000 -0.454) 0.831 10.003 ( 4.945 0.000 5.076) 7.086 10.541 ( -0.421 0.000 -10.889) 10.897 10.662 ( -3.006 0.000 -3.115) 4.328 11.050 ( 2.959 0.000 -15.407) 15.689 11.090 ( -5.020 0.000 -7.876) 9.340 11.437 ( -0.622 0.000 -11.522) 11.539 11.720 ( -4.868 0.000 5.084) 7.039 12.214 ( 17.156 0.000 10.884) 20.317 12.598 ( 22.973 0.000 22.226) 31.965 13.843 ( -18.988 0.000 -23.816) 30.459 13.911 ( -18.076 0.000 20.252) 27.146 14.171 ( 0.267 0.000 -0.781) 0.825 14.406 ( -6.584 0.000 18.732) 19.855 14.521 ( 0.299 0.000 -1.402) 1.433 14.525 ( 2.288 0.000 4.344) 4.910 14.740 ( -0.885 0.000 -5.198) 5.273 15.017 ( 10.262 0.000 -10.861) 14.942 15.462 ( 19.767 0.000 -13.056) 23.690 16.950 ( 0.667 0.000 15.828) 15.842 17.489 ( -1.358 0.000 -1.245) 1.842 17.535 ( -5.130 0.000 -3.668) 6.307 17.652 ( -2.420 0.000 -1.223) 2.712 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 14.930 0.000 14.062) 20.510 1.558 ( 17.544 0.000 11.589) 21.026 2.255 ( -5.131 0.000 -3.369) 6.139 2.365 ( -4.774 0.000 -7.848) 9.186 2.625 ( -0.947 0.000 -3.180) 3.319 2.720 ( -10.190 0.000 -4.310) 11.064 2.741 ( 2.067 0.000 -4.560) 5.007 2.884 ( -9.250 0.000 4.141) 10.135 2.964 ( 11.364 0.000 6.079) 12.888 3.281 ( 18.076 0.000 4.290) 18.579 3.329 ( 5.126 0.000 -7.193) 8.833 3.337 ( -3.234 0.000 0.356) 3.254 3.545 ( -0.237 0.000 -1.682) 1.698 3.676 ( 9.979 0.000 -0.318) 9.984 3.940 ( -17.393 0.000 -1.791) 17.485 3.947 ( -5.804 0.000 -1.559) 6.009 4.663 ( 13.575 0.000 11.365) 17.704 4.812 ( -0.418 0.000 -4.870) 4.888 5.081 ( 4.287 0.000 8.516) 9.535 5.223 ( -8.607 0.000 -0.842) 8.648 5.324 ( 1.244 0.000 -12.090) 12.154 5.518 ( 3.565 0.000 -7.222) 8.054 5.572 ( -15.241 0.000 -7.523) 16.996 5.961 ( -5.793 0.000 -3.514) 6.775 5.999 ( -5.599 0.000 -0.597) 5.631 6.325 ( -5.692 0.000 9.348) 10.945 6.513 ( -7.895 0.000 -14.524) 16.531 6.631 ( -11.899 0.000 -3.637) 12.443 6.748 ( 16.838 0.000 10.252) 19.713 7.374 ( 8.022 0.000 0.388) 8.031 7.386 ( 5.073 0.000 1.655) 5.337 7.841 ( 11.869 0.000 3.703) 12.433 8.113 ( 3.903 0.000 1.312) 4.118 8.645 ( 5.257 0.000 -18.600) 19.328 8.835 ( -11.293 0.000 9.681) 14.874 9.126 ( -5.031 0.000 0.109) 5.032 9.447 ( 4.376 0.000 7.930) 9.057 9.779 ( 1.444 0.000 1.200) 1.877 10.116 ( 5.782 0.000 5.919) 8.275 10.527 ( -0.377 0.000 -9.119) 9.127 10.648 ( 1.706 0.000 -2.336) 2.893 10.940 ( -8.980 0.000 -4.493) 10.042 11.115 ( 2.459 0.000 -10.405) 10.691 11.397 ( -3.186 0.000 -8.984) 9.533 11.723 ( 5.896 0.000 -6.043) 8.443 12.648 ( 21.768 0.000 5.285) 22.401 13.157 ( 28.057 0.000 19.920) 34.410 13.381 ( -22.732 0.000 -23.828) 32.932 13.591 ( -10.661 0.000 24.395) 26.623 14.202 ( 2.964 0.000 -4.513) 5.400 14.404 ( 4.294 0.000 19.252) 19.725 14.548 ( 1.521 0.000 2.677) 3.079 14.575 ( 2.441 0.000 5.294) 5.830 14.720 ( -0.824 0.000 -3.077) 3.186 15.151 ( 1.235 0.000 -3.945) 4.134 15.668 ( 0.193 0.000 -4.715) 4.719 16.992 ( 3.772 0.000 8.356) 9.168 17.425 ( -3.549 0.000 -8.957) 9.635 17.464 ( -1.893 0.000 -4.445) 4.831 17.575 ( -4.833 0.000 -2.196) 5.309 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 16.520 0.000 5.839) 17.522 1.868 ( 10.043 0.000 0.669) 10.065 2.103 ( -7.488 0.000 -6.766) 10.092 2.282 ( -3.551 0.000 -6.268) 7.204 2.506 ( -3.797 0.000 -0.979) 3.922 2.662 ( -0.942 0.000 4.763) 4.855 2.672 ( -7.333 0.000 -1.754) 7.540 2.740 ( -5.399 0.000 -7.898) 9.567 3.051 ( 3.797 0.000 -0.504) 3.830 3.292 ( 0.378 0.000 3.367) 3.389 3.355 ( -3.468 0.000 -10.013) 10.597 3.497 ( -4.593 0.000 1.679) 4.890 3.623 ( -4.245 0.000 5.828) 7.210 3.715 ( 0.656 0.000 3.798) 3.855 3.984 ( 17.824 0.000 -10.217) 20.545 4.092 ( 27.195 0.000 -0.545) 27.200 4.720 ( -10.363 0.000 -10.024) 14.418 4.901 ( 6.848 0.000 5.849) 9.006 5.037 ( -7.038 0.000 -1.126) 7.127 5.143 ( -2.998 0.000 8.758) 9.257 5.312 ( -1.347 0.000 -6.592) 6.728 5.403 ( 1.377 0.000 -0.552) 1.483 5.523 ( -3.906 0.000 -9.167) 9.965 5.796 ( -9.726 0.000 -1.919) 9.914 5.868 ( -1.300 0.000 -4.826) 4.998 6.291 ( -5.153 0.000 -4.405) 6.779 6.306 ( -7.027 0.000 1.597) 7.207 6.427 ( -5.487 0.000 1.054) 5.587 7.081 ( 14.172 0.000 10.178) 17.448 7.428 ( -1.424 0.000 5.026) 5.224 7.579 ( 11.611 0.000 6.279) 13.201 8.015 ( -0.451 0.000 12.101) 12.109 8.187 ( 6.647 0.000 -1.059) 6.731 8.557 ( -9.574 0.000 0.278) 9.578 8.766 ( 2.789 0.000 -12.552) 12.858 8.986 ( -7.401 0.000 -4.320) 8.570 9.553 ( 5.677 0.000 7.713) 9.577 9.772 ( -2.671 0.000 4.723) 5.426 10.266 ( 8.897 0.000 3.871) 9.702 10.554 ( 3.047 0.000 -7.595) 8.184 10.681 ( 0.163 0.000 -4.299) 4.302 10.725 ( -11.179 0.000 -1.252) 11.249 11.154 ( 1.899 0.000 -5.113) 5.454 11.311 ( -4.632 0.000 -5.608) 7.274 11.963 ( 16.187 0.000 -15.305) 22.276 12.861 ( -24.229 0.000 -23.820) 33.977 13.049 ( 15.337 0.000 2.230) 15.498 13.431 ( -5.932 0.000 15.498) 16.594 13.786 ( 28.452 0.000 17.286) 33.291 14.294 ( 5.377 0.000 -3.720) 6.538 14.476 ( -0.550 0.000 6.085) 6.110 14.532 ( -4.675 0.000 2.327) 5.222 14.725 ( 14.696 0.000 16.789) 22.313 14.733 ( 2.861 0.000 1.348) 3.163 15.058 ( -9.153 0.000 5.705) 10.785 15.508 ( -14.282 0.000 7.181) 15.986 17.113 ( 7.451 0.000 0.534) 7.470 17.383 ( -0.486 0.000 -12.741) 12.750 17.425 ( -1.749 0.000 -7.615) 7.813 17.450 ( -7.050 0.000 -3.223) 7.752 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -3.834 0.000 -7.010) 7.990 1.984 ( 3.834 0.000 -7.010) 7.990 2.121 ( -12.958 0.000 -0.835) 12.985 2.121 ( 12.958 0.000 -0.835) 12.985 2.568 ( -6.732 0.000 4.632) 8.172 2.568 ( 6.732 0.000 4.632) 8.172 2.620 ( -3.436 0.000 -4.983) 6.052 2.620 ( 3.436 0.000 -4.983) 6.052 3.189 ( -8.725 0.000 -5.205) 10.160 3.189 ( 8.725 0.000 -5.205) 10.160 3.372 ( -6.224 0.000 4.062) 7.432 3.372 ( 6.224 0.000 4.062) 7.432 3.648 ( -4.385 0.000 2.135) 4.877 3.648 ( 4.385 0.000 2.135) 4.877 4.382 ( -19.132 0.000 -14.473) 23.990 4.382 ( 19.132 0.000 -14.473) 23.990 4.743 ( -29.253 0.000 -0.233) 29.254 4.743 ( 29.253 0.000 -0.233) 29.254 4.966 ( -1.399 0.000 3.123) 3.422 4.966 ( 1.399 0.000 3.123) 3.422 5.405 ( -6.492 0.000 -0.477) 6.510 5.405 ( 6.492 0.000 -0.477) 6.510 5.568 ( -11.187 0.000 0.471) 11.197 5.568 ( 11.187 0.000 0.471) 11.197 6.007 ( -12.169 0.000 -9.260) 15.292 6.007 ( 12.169 0.000 -9.260) 15.292 6.348 ( -2.846 0.000 4.741) 5.529 6.348 ( 2.846 0.000 4.741) 5.529 7.323 ( -8.472 0.000 8.105) 11.724 7.323 ( 8.472 0.000 8.105) 11.724 7.841 ( -12.317 0.000 11.491) 16.845 7.841 ( 12.317 0.000 11.491) 16.845 8.373 ( -8.817 0.000 -1.221) 8.902 8.373 ( 8.817 0.000 -1.221) 8.902 8.848 ( -5.233 0.000 -8.696) 10.149 8.848 ( 5.233 0.000 -8.696) 10.149 9.677 ( -5.712 0.000 6.904) 8.961 9.677 ( 5.712 0.000 6.904) 8.961 10.484 ( -11.356 0.000 1.215) 11.420 10.484 ( 11.356 0.000 1.215) 11.420 10.636 ( -3.911 0.000 -6.499) 7.585 10.636 ( 3.911 0.000 -6.499) 7.585 11.217 ( -4.066 0.000 -3.324) 5.251 11.217 ( 4.066 0.000 -3.324) 5.251 12.371 ( -21.927 0.000 -20.659) 30.126 12.371 ( 21.927 0.000 -20.659) 30.126 13.291 ( -8.322 0.000 6.157) 10.351 13.291 ( 8.322 0.000 6.157) 10.351 14.298 ( -18.461 0.000 8.542) 20.342 14.298 ( 18.461 0.000 8.542) 20.342 14.407 ( -4.949 0.000 -0.134) 4.951 14.407 ( 4.949 0.000 -0.134) 4.951 14.850 ( -8.434 0.000 6.466) 10.627 14.850 ( 8.434 0.000 6.466) 10.627 15.124 ( -20.672 0.000 15.261) 25.695 15.124 ( 20.672 0.000 15.261) 25.695 17.285 ( -8.389 0.000 -3.036) 8.921 17.285 ( 8.389 0.000 -3.036) 8.921 17.393 ( -1.176 0.000 -11.239) 11.300 17.393 ( 1.176 0.000 -11.239) 11.300 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 9.256 21.844) 23.724 1.214 ( 0.000 14.427 21.648) 26.015 2.251 ( 0.000 -4.720 5.175) 7.004 2.299 ( 0.000 14.079 38.851) 41.323 2.404 ( 0.000 -8.096 -14.536) 16.638 2.560 ( 0.000 -11.371 -6.815) 13.257 2.709 ( 0.000 -3.492 -5.445) 6.468 3.013 ( 0.000 0.147 -10.235) 10.236 3.094 ( 0.000 9.202 -13.497) 16.335 3.185 ( 0.000 -7.124 -2.292) 7.484 3.205 ( 0.000 3.609 -1.511) 3.912 3.598 ( 0.000 10.127 -1.604) 10.253 3.667 ( 0.000 20.259 -7.055) 21.453 3.866 ( 0.000 5.570 10.195) 11.617 4.211 ( 0.000 -6.409 3.813) 7.457 4.285 ( 0.000 -13.947 -0.564) 13.958 4.365 ( 0.000 4.626 4.587) 6.515 4.694 ( 0.000 -5.728 6.664) 8.787 4.811 ( 0.000 2.109 -0.642) 2.204 5.258 ( 0.000 -5.960 -15.963) 17.039 5.266 ( 0.000 -7.678 -0.438) 7.691 5.756 ( 0.000 11.093 -9.483) 14.594 5.905 ( 0.000 -2.759 2.437) 3.681 5.965 ( 0.000 -3.161 15.511) 15.830 6.271 ( 0.000 9.938 -5.558) 11.387 6.336 ( 0.000 4.868 -9.268) 10.469 6.629 ( 0.000 -2.551 -12.185) 12.449 6.721 ( 0.000 -13.000 -4.672) 13.814 6.873 ( 0.000 -1.297 -12.761) 12.826 7.148 ( 0.000 1.876 -5.821) 6.116 7.176 ( 0.000 -1.714 -3.467) 3.868 7.403 ( 0.000 -1.192 -6.376) 6.487 7.857 ( 0.000 2.031 7.970) 8.224 8.286 ( 0.000 -4.873 11.006) 12.036 9.130 ( 0.000 -1.330 10.600) 10.683 9.143 ( 0.000 -2.537 7.288) 7.717 9.483 ( 0.000 12.722 5.989) 14.061 9.858 ( 0.000 8.542 -3.988) 9.427 9.989 ( 0.000 4.159 3.538) 5.460 10.498 ( 0.000 -4.061 -11.286) 11.994 10.740 ( 0.000 3.337 -4.160) 5.333 10.997 ( 0.000 -1.857 -18.319) 18.413 11.142 ( 0.000 -1.889 -7.694) 7.923 11.377 ( 0.000 -5.342 -11.131) 12.347 11.977 ( 0.000 14.145 12.582) 18.931 12.070 ( 0.000 5.747 10.480) 11.953 12.315 ( 0.000 1.007 21.244) 21.268 13.978 ( 0.000 -7.391 -11.547) 13.710 14.020 ( 0.000 -13.150 13.121) 18.576 14.075 ( 0.000 -9.380 2.948) 9.833 14.430 ( 0.000 -1.655 -3.720) 4.072 14.462 ( 0.000 -3.440 6.783) 7.606 14.707 ( 0.000 0.615 -0.242) 0.661 14.736 ( 0.000 -1.713 -12.329) 12.448 14.954 ( 0.000 -1.381 -2.059) 2.479 14.996 ( 0.000 4.794 -14.987) 15.735 16.955 ( 0.000 1.228 17.491) 17.534 17.459 ( 0.000 -10.170 4.095) 10.963 17.569 ( 0.000 5.654 -0.154) 5.656 17.727 ( 0.000 2.668 -0.174) 2.673 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 12.164 7.237 18.696) 23.449 1.321 ( 9.288 12.385 19.328) 24.764 2.256 ( -0.259 -5.428 4.205) 6.871 2.350 ( -0.722 -3.563 -4.153) 5.519 2.467 ( 5.633 -4.196 10.457) 12.597 2.598 ( 2.716 -4.502 2.187) 5.695 2.694 ( 3.411 -2.434 -5.927) 7.259 3.047 ( -4.495 4.211 -3.637) 7.153 3.084 ( 1.132 3.204 -5.251) 6.255 3.100 ( -2.969 -1.162 -3.528) 4.755 3.209 ( 1.083 1.534 -9.822) 10.000 3.534 ( -2.718 11.972 -1.907) 12.424 3.701 ( -4.926 9.948 -2.248) 11.326 3.753 ( -1.022 12.710 6.222) 14.188 4.080 ( -9.407 -7.471 -0.193) 12.014 4.184 ( -9.752 -6.283 -0.473) 11.610 4.452 ( 8.767 4.239 9.215) 13.407 4.774 ( 1.905 -4.812 6.582) 8.373 4.836 ( 5.600 -0.858 -1.897) 5.974 5.260 ( 0.257 -4.589 -14.022) 14.757 5.334 ( 5.645 -7.581 -2.054) 9.672 5.630 ( -8.309 10.769 -3.019) 13.933 5.801 ( -8.441 -7.817 -0.437) 11.512 6.013 ( -0.615 -0.885 0.781) 1.331 6.126 ( -9.903 6.061 -3.895) 12.247 6.395 ( 0.243 -4.535 8.580) 9.708 6.583 ( 2.697 7.122 -3.427) 8.351 6.632 ( -4.472 -2.791 -15.771) 16.629 6.837 ( -7.079 -1.610 -5.236) 8.951 7.222 ( 7.606 -2.036 -3.144) 8.478 7.241 ( 5.972 1.443 -3.520) 7.081 7.589 ( 11.982 -0.568 -0.389) 12.001 7.988 ( 7.745 -0.158 -3.022) 8.315 8.375 ( 8.758 -7.287 1.213) 11.458 9.022 ( -8.075 -1.980 10.389) 13.306 9.150 ( -1.463 -2.689 5.220) 6.051 9.508 ( 2.342 12.434 6.215) 14.097 9.881 ( 2.023 10.482 -3.060) 11.106 10.043 ( 4.317 3.440 4.024) 6.830 10.497 ( -0.050 -3.937 -10.863) 11.554 10.680 ( -3.887 1.937 -2.224) 4.879 10.983 ( -1.663 -3.252 -14.157) 14.621 11.124 ( -1.607 -0.562 -9.621) 9.771 11.372 ( -0.826 -5.971 -10.036) 11.708 11.880 ( -3.989 14.992 6.051) 16.651 12.255 ( 16.932 4.060 10.247) 20.203 12.617 ( 22.600 1.914 21.430) 31.204 13.815 ( -15.097 -3.060 -7.608) 17.180 13.892 ( -11.025 -2.116 6.133) 12.792 14.104 ( 1.587 -8.514 1.146) 8.736 14.321 ( -2.530 -8.609 2.102) 9.216 14.424 ( -8.734 -1.220 11.359) 14.381 14.565 ( 1.642 -0.401 3.750) 4.113 14.661 ( -4.490 -6.302 -5.126) 9.282 15.023 ( 10.564 1.173 -10.614) 15.021 15.436 ( 17.044 -2.968 -13.339) 21.845 16.961 ( 0.868 1.405 14.731) 14.824 17.426 ( -2.526 -8.039 0.568) 8.446 17.556 ( -1.131 5.576 -0.994) 5.776 17.696 ( -2.740 2.917 -0.829) 4.087 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 11.348 7.445 14.263) 19.689 1.621 ( 17.056 4.537 12.185) 21.447 2.209 ( -4.148 -6.100 -0.096) 7.377 2.295 ( -3.526 -4.369 -7.377) 9.270 2.489 ( -4.718 -9.864 -5.653) 12.310 2.567 ( -0.347 -6.064 2.242) 6.474 2.791 ( -1.644 -4.021 -7.298) 8.493 2.950 ( -8.145 0.593 -1.069) 8.236 3.028 ( 0.296 5.097 1.637) 5.362 3.183 ( 2.390 -8.822 -6.174) 11.030 3.240 ( 2.775 5.273 2.467) 6.449 3.544 ( 6.204 10.670 2.885) 12.675 3.674 ( 7.448 6.565 -3.312) 10.466 3.754 ( -3.568 5.417 0.051) 6.487 3.932 ( -4.275 -0.793 -3.223) 5.412 3.970 ( -4.660 8.838 -0.650) 10.012 4.682 ( 11.568 0.286 8.301) 14.241 4.810 ( 2.650 0.288 0.596) 2.731 4.957 ( 4.621 -1.837 1.962) 5.346 5.282 ( 1.825 -1.056 -8.490) 8.748 5.386 ( -12.694 -1.858 -12.310) 17.780 5.478 ( 1.932 -1.639 -2.258) 3.394 5.610 ( -4.732 4.723 1.078) 6.772 5.891 ( -10.898 -2.770 -3.579) 11.800 6.010 ( -0.808 -2.816 2.218) 3.675 6.297 ( -6.162 -1.440 7.265) 9.635 6.494 ( -7.826 -1.623 -12.417) 14.767 6.588 ( -11.233 -2.903 -4.281) 12.367 6.862 ( 14.020 8.989 8.207) 18.567 7.350 ( 5.329 -2.114 1.800) 6.009 7.418 ( 8.109 3.111 0.310) 8.691 7.830 ( 11.028 -1.056 5.075) 12.186 8.106 ( 3.830 -0.537 0.790) 3.947 8.572 ( 7.906 -7.587 -15.397) 18.898 8.810 ( -11.381 -0.769 7.796) 13.817 9.078 ( -5.245 -3.889 0.802) 6.578 9.576 ( 4.060 11.813 6.568) 14.113 9.922 ( 1.168 12.238 -0.075) 12.293 10.145 ( 5.381 2.583 4.326) 7.372 10.497 ( 0.377 -2.823 -9.121) 9.556 10.647 ( 0.846 0.153 -1.607) 1.822 10.895 ( -6.772 -3.007 -7.703) 10.689 11.099 ( -0.520 -2.629 -9.454) 9.826 11.329 ( -3.288 -6.576 -7.344) 10.392 11.896 ( 5.852 16.192 -3.702) 17.610 12.689 ( 22.037 4.016 5.233) 23.004 13.159 ( 26.663 -0.060 18.277) 32.326 13.413 ( -20.206 3.623 -14.834) 25.327 13.660 ( -9.156 6.058 14.499) 18.187 14.149 ( 3.141 -6.650 -1.967) 7.613 14.331 ( 1.023 -15.125 0.753) 15.179 14.361 ( 3.082 -4.927 15.024) 16.109 14.596 ( -1.607 -8.003 0.816) 8.203 14.615 ( 1.861 -2.638 4.707) 5.707 15.149 ( 0.239 0.564 -3.327) 3.383 15.614 ( -0.218 -5.105 -4.453) 6.778 17.011 ( 4.249 2.051 7.204) 8.612 17.383 ( -1.060 -3.771 -6.859) 7.899 17.524 ( -1.920 5.285 -3.297) 6.518 17.615 ( -4.949 3.180 -2.138) 6.259 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 9.560 0.495 7.540) 12.185 1.959 ( 13.748 3.367 3.968) 14.700 2.097 ( -6.748 -1.675 -3.128) 7.623 2.206 ( -3.664 -5.418 -4.012) 7.673 2.409 ( 0.590 -6.010 -3.382) 6.922 2.561 ( -2.434 -5.847 0.772) 6.380 2.752 ( -4.270 0.171 -6.193) 7.524 2.780 ( -5.263 1.213 0.612) 5.435 2.984 ( -0.435 -3.680 -1.822) 4.129 3.158 ( -5.497 -5.213 2.422) 7.953 3.199 ( -1.397 -11.923 -3.218) 12.429 3.469 ( -13.418 -3.755 -1.690) 14.035 3.777 ( 7.764 7.701 -2.045) 11.125 3.860 ( -1.248 11.826 0.800) 11.919 4.062 ( 13.606 8.457 -9.583) 18.667 4.171 ( 27.564 8.896 -0.551) 28.969 4.796 ( -6.538 6.215 -5.367) 10.497 4.883 ( 3.308 -1.434 0.047) 3.606 5.043 ( -7.779 -0.728 -3.754) 8.668 5.065 ( 1.591 -5.599 -0.739) 5.867 5.313 ( 0.309 2.518 -0.648) 2.619 5.438 ( -11.906 4.339 -2.610) 12.938 5.638 ( 3.183 6.587 1.234) 7.419 5.705 ( 2.742 -4.325 -7.850) 9.372 5.992 ( -3.325 4.048 3.150) 6.113 6.195 ( -2.319 -7.274 3.437) 8.373 6.292 ( -13.249 -1.114 -4.116) 13.918 6.361 ( -6.450 -5.503 0.693) 8.507 7.155 ( 12.405 6.733 9.650) 17.098 7.424 ( 0.494 -0.357 5.572) 5.605 7.588 ( 9.415 0.906 6.049) 11.227 7.974 ( -1.205 -3.888 13.418) 14.022 8.196 ( 7.535 1.197 -2.787) 8.123 8.578 ( -9.505 2.024 0.395) 9.726 8.702 ( 4.620 -5.910 -13.544) 15.483 8.943 ( -7.047 -3.764 -3.833) 8.861 9.678 ( 5.620 11.500 6.564) 14.384 9.904 ( -3.085 12.012 4.207) 13.096 10.285 ( 8.130 1.940 2.243) 8.654 10.529 ( 2.579 -2.327 -7.760) 8.502 10.655 ( -2.296 -1.557 -3.166) 4.210 10.731 ( -7.197 -0.167 -5.534) 9.080 11.102 ( 1.124 -5.291 -4.647) 7.131 11.245 ( -4.362 -6.496 -4.212) 8.886 12.115 ( 14.412 14.664 -11.792) 23.702 12.914 ( -20.238 5.677 -18.702) 28.134 13.118 ( 14.076 6.588 1.331) 15.598 13.506 ( -6.051 6.880 11.425) 14.645 13.769 ( 26.501 -2.239 15.047) 30.557 14.234 ( 4.115 -6.191 -3.457) 8.198 14.369 ( 1.471 -15.627 2.472) 15.890 14.425 ( 0.152 -7.596 4.996) 9.093 14.575 ( 1.573 -9.768 4.719) 10.961 14.731 ( 10.900 -1.403 13.485) 17.396 15.024 ( -11.110 -1.666 7.021) 13.248 15.455 ( -13.826 -5.011 6.929) 16.256 17.142 ( 7.889 2.877 -0.260) 8.401 17.388 ( 1.342 0.110 -10.828) 10.912 17.477 ( -3.001 4.223 -5.918) 7.865 17.490 ( -6.395 3.626 -4.122) 8.429 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -7.341 -3.152 -0.090) 7.989 1.930 ( 7.341 -3.152 -0.090) 7.989 2.165 ( -3.768 0.938 -2.777) 4.774 2.165 ( 3.768 0.938 -2.777) 4.774 2.472 ( -4.057 -5.279 0.046) 6.658 2.472 ( 4.057 -5.279 0.046) 6.658 2.697 ( -2.695 3.388 -0.765) 4.397 2.697 ( 2.695 3.388 -0.765) 4.397 3.048 ( -5.387 -11.103 -0.132) 12.342 3.048 ( 5.387 -11.103 -0.132) 12.342 3.245 ( -7.079 -6.855 -0.612) 9.874 3.245 ( 7.079 -6.855 -0.612) 9.874 3.847 ( -0.761 13.369 -1.330) 13.456 3.847 ( 0.761 13.369 -1.330) 13.456 4.423 ( -18.472 3.770 -14.990) 24.086 4.423 ( 18.472 3.770 -14.990) 24.086 4.776 ( -20.619 0.450 -5.740) 21.407 4.776 ( 20.619 0.450 -5.740) 21.407 4.999 ( -2.881 4.305 5.026) 7.218 4.999 ( 2.881 4.305 5.026) 7.218 5.290 ( -1.716 -2.341 -0.921) 3.045 5.290 ( 1.716 -2.341 -0.921) 3.045 5.771 ( -6.960 10.659 3.482) 13.198 5.771 ( 6.960 10.659 3.482) 13.198 5.982 ( -10.797 -2.512 -7.330) 13.290 5.982 ( 10.797 -2.512 -7.330) 13.290 6.257 ( -4.066 -8.108 5.556) 10.637 6.257 ( 4.066 -8.108 5.556) 10.637 7.357 ( -6.608 3.407 8.149) 11.031 7.357 ( 6.608 3.407 8.149) 11.031 7.815 ( -11.027 -2.691 11.782) 16.360 7.815 ( 11.027 -2.691 11.782) 16.360 8.389 ( -9.127 1.808 -2.283) 9.581 8.389 ( 9.127 1.808 -2.283) 9.581 8.806 ( -5.658 -3.912 -8.777) 11.152 8.806 ( 5.658 -3.912 -8.777) 11.152 9.804 ( -5.889 11.740 6.037) 14.455 9.804 ( 5.889 11.740 6.037) 14.455 10.474 ( -9.070 -0.447 0.008) 9.081 10.474 ( 9.070 -0.447 0.008) 9.081 10.633 ( -3.816 -0.725 -7.837) 8.747 10.633 ( 3.816 -0.725 -7.837) 8.747 11.156 ( -3.782 -6.034 -2.286) 7.479 11.156 ( 3.782 -6.034 -2.286) 7.479 12.478 ( -19.600 10.765 -16.881) 28.018 12.478 ( 19.600 10.765 -16.881) 28.018 13.361 ( -8.544 6.645 4.640) 11.776 13.361 ( 8.544 6.645 4.640) 11.776 14.203 ( -11.960 -8.430 3.253) 14.990 14.203 ( 11.960 -8.430 3.253) 14.990 14.379 ( -2.243 -7.144 1.069) 7.564 14.379 ( 2.243 -7.144 1.069) 7.564 14.724 ( -12.188 -7.100 10.330) 17.484 14.724 ( 12.188 -7.100 10.330) 17.484 15.092 ( -18.707 -3.571 14.291) 23.810 15.092 ( 18.707 -3.571 14.291) 23.810 17.320 ( -8.547 3.286 -3.315) 9.739 17.320 ( 8.547 3.286 -3.315) 9.739 17.429 ( -2.308 2.887 -9.953) 10.617 17.429 ( 2.308 2.887 -9.953) 10.617 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 13.595 15.163) 20.365 1.577 ( 0.000 19.530 14.040) 24.053 2.031 ( 0.000 -14.032 2.383) 14.233 2.267 ( 0.000 -4.619 -8.668) 9.822 2.270 ( 0.000 -11.223 -5.318) 12.420 2.506 ( 0.000 -7.417 14.293) 16.103 2.763 ( 0.000 6.684 -2.057) 6.993 2.948 ( 0.000 0.518 -0.295) 0.596 3.172 ( 0.000 5.723 0.048) 5.723 3.261 ( 0.000 6.464 -18.428) 19.529 3.349 ( 0.000 10.273 -2.850) 10.661 3.732 ( 0.000 -0.820 -4.819) 4.888 3.871 ( 0.000 -3.274 -4.687) 5.717 4.042 ( 0.000 -7.051 9.056) 11.477 4.090 ( 0.000 17.017 -1.961) 17.130 4.246 ( 0.000 10.883 7.363) 13.140 4.495 ( 0.000 3.852 7.532) 8.460 4.563 ( 0.000 -4.397 4.212) 6.089 4.857 ( 0.000 -1.252 -0.774) 1.472 5.087 ( 0.000 -10.772 -12.112) 16.209 5.101 ( 0.000 -2.922 0.366) 2.945 5.551 ( 0.000 -15.625 -0.387) 15.630 5.919 ( 0.000 -0.163 8.973) 8.974 6.163 ( 0.000 8.728 -13.710) 16.253 6.249 ( 0.000 -7.441 8.403) 11.224 6.491 ( 0.000 6.119 -6.332) 8.805 6.578 ( 0.000 2.227 -9.225) 9.490 6.648 ( 0.000 4.488 -13.826) 14.536 6.831 ( 0.000 -2.745 -13.701) 13.973 7.051 ( 0.000 -9.692 -3.772) 10.400 7.209 ( 0.000 3.900 -3.429) 5.193 7.364 ( 0.000 -2.798 -4.797) 5.554 7.924 ( 0.000 4.539 10.728) 11.649 8.167 ( 0.000 -6.491 15.153) 16.485 9.099 ( 0.000 -1.506 6.147) 6.329 9.102 ( 0.000 -1.246 8.982) 9.068 9.811 ( 0.000 18.244 3.180) 18.519 10.015 ( 0.000 6.043 -4.947) 7.810 10.071 ( 0.000 3.035 0.127) 3.038 10.390 ( 0.000 -7.191 -9.975) 12.297 10.836 ( 0.000 4.973 -3.132) 5.877 10.971 ( 0.000 0.880 -17.858) 17.880 11.028 ( 0.000 -8.126 -4.636) 9.355 11.251 ( 0.000 -7.055 -10.486) 12.639 12.188 ( 0.000 7.295 12.963) 14.875 12.332 ( 0.000 0.201 19.486) 19.487 12.422 ( 0.000 26.444 9.124) 27.974 13.633 ( 0.000 -26.956 5.253) 27.463 13.795 ( 0.000 -6.921 9.075) 11.413 13.869 ( 0.000 -7.398 -4.303) 8.558 14.434 ( 0.000 0.083 10.996) 10.997 14.450 ( 0.000 1.330 0.050) 1.331 14.728 ( 0.000 1.805 -18.236) 18.325 14.747 ( 0.000 2.587 -3.305) 4.197 14.916 ( 0.000 -2.069 -2.703) 3.404 14.997 ( 0.000 -3.760 -20.419) 20.762 17.005 ( 0.000 3.756 15.516) 15.964 17.260 ( 0.000 -8.813 10.013) 13.339 17.690 ( 0.000 5.389 0.088) 5.390 17.770 ( 0.000 1.296 0.219) 1.315 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 7.649 10.510 14.132) 19.201 1.645 ( 5.686 17.910 13.552) 23.168 2.032 ( -0.215 -13.419 2.798) 13.710 2.256 ( -0.619 -3.856 -6.304) 7.416 2.313 ( 3.278 -9.662 -6.318) 12.001 2.511 ( -1.863 -11.072 11.809) 16.295 2.677 ( -5.132 2.535 -4.459) 7.255 2.935 ( -3.220 -6.656 -2.481) 7.799 3.172 ( -0.921 7.860 -8.250) 11.432 3.237 ( -0.725 8.777 -4.949) 10.102 3.393 ( 3.654 10.263 -7.391) 13.164 3.702 ( -2.283 0.417 -4.801) 5.333 3.819 ( -9.359 3.319 6.292) 11.756 3.940 ( -1.986 -3.324 -1.184) 4.049 4.059 ( -7.181 11.687 -2.837) 14.008 4.184 ( 2.835 7.839 8.094) 11.619 4.537 ( 4.250 5.247 4.128) 7.914 4.706 ( 8.972 -2.090 8.522) 12.550 4.886 ( 2.437 2.766 -2.817) 4.640 5.106 ( 3.646 -11.030 -8.235) 14.240 5.171 ( 4.748 -4.698 -2.224) 7.040 5.498 ( -5.151 -14.000 -3.012) 15.218 5.789 ( -7.470 0.728 7.020) 10.277 5.994 ( -11.890 -5.291 -3.762) 13.547 6.228 ( -4.765 6.549 -1.540) 8.244 6.408 ( -6.734 6.157 -1.997) 9.341 6.556 ( -0.894 -3.663 -10.836) 11.473 6.719 ( -3.771 1.671 -7.636) 8.679 6.816 ( 4.779 2.520 -4.310) 6.912 7.116 ( 7.024 -7.543 -3.779) 10.978 7.327 ( 9.851 6.317 -2.583) 11.984 7.559 ( 13.381 -2.837 -0.860) 13.705 8.000 ( 5.663 1.787 1.540) 6.135 8.210 ( 4.807 -8.068 9.165) 13.122 9.004 ( -6.884 0.303 7.030) 9.844 9.087 ( -3.011 -3.172 5.387) 6.938 9.822 ( 1.265 16.925 2.932) 17.223 10.082 ( 5.506 8.082 -4.452) 10.745 10.113 ( 3.401 2.705 1.102) 4.483 10.395 ( 0.748 -6.262 -8.679) 10.728 10.749 ( -5.514 4.833 -1.151) 7.422 10.944 ( -2.595 -0.544 -16.336) 16.550 11.036 ( -0.716 -6.743 -6.135) 9.145 11.221 ( -2.762 -8.327 -8.719) 12.369 12.259 ( -0.532 18.658 7.379) 20.072 12.368 ( 16.092 6.336 11.133) 20.568 12.694 ( 18.930 7.810 17.652) 27.036 13.642 ( -0.237 -22.218 3.480) 22.490 13.788 ( -0.414 -5.213 9.979) 11.266 13.858 ( -1.384 -6.193 -6.622) 9.171 14.272 ( -12.351 2.537 -10.057) 16.128 14.412 ( -11.325 -0.806 8.188) 13.998 14.532 ( -0.460 -2.597 7.224) 7.690 14.538 ( -9.576 -4.769 -2.814) 11.062 15.080 ( 11.234 4.565 -11.073) 16.421 15.338 ( 13.753 -6.360 -13.072) 20.012 17.015 ( 1.291 3.937 12.545) 13.211 17.260 ( 0.324 -7.803 6.083) 9.899 17.675 ( -1.340 5.251 -0.599) 5.453 17.746 ( -2.224 1.618 -0.400) 2.779 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 11.119 3.928 11.007) 16.131 1.776 ( 5.887 12.406 13.217) 19.059 2.021 ( -0.278 -9.873 3.951) 10.638 2.233 ( -2.574 -1.785 -2.571) 4.052 2.361 ( -2.234 -4.248 -8.431) 9.701 2.408 ( -1.627 -9.460 8.492) 12.817 2.634 ( -0.027 -8.049 -7.032) 10.688 2.811 ( -7.004 -11.498 -2.243) 13.649 3.095 ( -6.221 3.216 -8.677) 11.150 3.170 ( -6.564 4.919 -5.165) 9.693 3.417 ( -7.468 7.603 -3.069) 11.090 3.603 ( -5.155 -2.472 0.788) 5.771 3.742 ( 1.497 2.470 -8.197) 8.691 3.855 ( 1.283 -1.293 -2.572) 3.151 4.079 ( 10.623 19.779 2.529) 22.593 4.302 ( 5.071 18.404 2.508) 19.253 4.688 ( 9.710 0.473 2.170) 9.960 4.819 ( 1.942 -1.088 5.776) 6.190 4.994 ( 7.141 3.511 -3.774) 8.807 5.225 ( 3.350 -8.615 -6.524) 11.314 5.264 ( 1.188 -3.081 -2.207) 3.972 5.352 ( -2.379 -8.567 -7.944) 11.923 5.700 ( -0.678 0.379 6.782) 6.827 5.786 ( -7.889 -6.437 -1.281) 10.262 6.030 ( -11.172 6.163 -1.764) 12.880 6.261 ( -8.191 -2.743 -1.504) 8.768 6.465 ( -6.893 -0.731 -4.175) 8.092 6.534 ( -11.060 -2.490 -1.637) 11.454 7.039 ( 13.288 7.408 4.760) 15.941 7.278 ( 7.299 -4.913 0.938) 8.848 7.534 ( 7.574 8.222 3.807) 11.809 7.796 ( 8.640 -2.530 8.483) 12.370 8.107 ( 4.654 1.173 -2.124) 5.248 8.369 ( 9.001 -11.001 -10.248) 17.523 8.830 ( -9.076 2.511 3.539) 10.060 8.989 ( -5.953 -4.613 1.504) 7.680 9.869 ( 3.254 15.253 2.858) 15.856 10.175 ( 2.316 6.748 1.173) 7.230 10.215 ( 6.233 7.020 -2.779) 9.791 10.429 ( 2.262 -2.992 -6.469) 7.478 10.674 ( -1.400 3.337 -0.096) 3.620 10.852 ( -6.125 -0.931 -11.820) 13.346 10.991 ( -3.005 -7.499 -7.323) 10.903 11.143 ( -4.383 -11.162 -4.528) 12.818 12.330 ( 6.936 24.937 -0.813) 25.896 12.795 ( 22.435 5.327 5.559) 23.720 13.146 ( 21.908 -0.855 14.366) 26.212 13.530 ( -10.320 5.993 -2.430) 12.179 13.790 ( -2.764 -13.435 -4.035) 14.298 13.804 ( 0.123 -3.155 8.382) 8.957 14.108 ( -1.426 -8.602 -0.450) 8.731 14.180 ( -7.255 -11.562 -3.447) 14.078 14.458 ( -0.664 -2.302 10.507) 10.776 14.556 ( 2.035 -4.015 9.085) 10.139 15.199 ( -0.805 4.468 -3.099) 5.497 15.478 ( -0.799 -7.727 -3.948) 8.713 17.078 ( 5.017 4.448 4.918) 8.315 17.290 ( 2.819 -5.127 -2.203) 6.252 17.634 ( -2.601 4.700 -2.487) 5.919 17.677 ( -4.359 2.360 -1.889) 5.304 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 2.552 5.920 9.467) 11.453 1.920 ( 8.792 -4.766 9.408) 13.730 2.017 ( -2.613 -4.538 4.222) 6.727 2.144 ( -1.537 -2.161 1.445) 3.020 2.349 ( 1.885 -0.421 -4.506) 4.902 2.415 ( -0.024 -6.999 0.215) 7.003 2.631 ( -0.674 -9.103 -4.120) 10.015 2.691 ( -3.879 -9.281 -1.578) 10.182 2.980 ( -2.838 -0.889 -3.228) 4.389 3.027 ( -5.722 0.332 -3.201) 6.565 3.176 ( -10.831 4.449 -0.242) 11.711 3.384 ( -12.622 -4.154 -2.854) 13.591 3.918 ( 12.179 5.348 -11.732) 17.736 3.994 ( 8.034 2.482 -10.032) 13.090 4.322 ( 1.911 14.657 -8.516) 17.058 4.454 ( 18.107 17.004 1.713) 24.899 4.768 ( -10.010 -8.129 -2.877) 13.212 4.897 ( 7.410 -2.526 1.411) 7.954 5.017 ( -6.537 10.149 -8.985) 15.048 5.148 ( 7.113 6.519 -3.451) 10.248 5.350 ( -0.340 -0.895 -3.025) 3.173 5.467 ( 0.571 -4.055 -0.809) 4.174 5.616 ( -1.858 -3.159 -7.616) 8.452 5.774 ( 6.018 4.729 8.981) 11.800 5.870 ( -1.297 -9.022 1.824) 9.295 6.098 ( -6.288 -6.355 4.994) 10.240 6.272 ( -13.615 0.487 2.838) 13.916 6.290 ( -9.435 -1.077 2.151) 9.737 7.310 ( 11.141 6.979 8.855) 15.850 7.414 ( 5.582 -0.542 6.130) 8.308 7.625 ( 2.456 3.204 8.124) 9.072 7.867 ( -2.873 -6.341 15.463) 16.958 8.248 ( 9.300 4.251 -7.430) 12.640 8.546 ( 7.368 -8.548 -12.129) 16.567 8.644 ( -8.319 4.014 -2.499) 9.569 8.850 ( -7.078 -5.215 -3.103) 9.323 9.965 ( 5.932 15.041 2.665) 16.387 10.190 ( -1.454 13.135 2.147) 13.389 10.348 ( 6.555 4.341 -2.102) 8.138 10.473 ( 1.796 -2.251 -6.675) 7.270 10.650 ( -2.490 1.843 -1.901) 3.635 10.712 ( -6.280 -1.254 -9.304) 11.295 10.940 ( -0.801 -10.195 -3.435) 10.788 11.052 ( -4.056 -12.225 -0.808) 12.905 12.532 ( 11.751 25.511 -6.455) 28.820 13.096 ( -8.086 11.460 -10.704) 17.643 13.303 ( 10.573 11.156 -0.335) 15.374 13.658 ( 15.643 -10.335 6.460) 19.830 13.677 ( -5.013 8.240 5.399) 11.054 13.899 ( 8.442 -22.369 5.915) 24.630 14.073 ( -4.936 -17.865 -5.715) 19.395 14.129 ( 1.107 -12.281 2.272) 12.538 14.499 ( 5.029 0.776 11.359) 12.446 14.667 ( 10.255 -4.826 13.462) 17.597 15.047 ( -12.818 4.037 7.116) 15.207 15.322 ( -13.120 -7.589 6.617) 16.538 17.222 ( 8.243 4.669 -1.807) 9.645 17.374 ( 4.794 -1.736 -7.338) 8.936 17.558 ( -5.926 3.417 -3.640) 7.748 17.571 ( -4.416 3.295 -4.984) 7.430 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -4.388 0.325 7.755) 8.916 1.896 ( 4.388 0.325 7.755) 8.916 2.107 ( -5.740 -6.255 2.222) 8.776 2.107 ( 5.740 -6.255 2.222) 8.776 2.389 ( -2.346 -1.634 -3.068) 4.194 2.389 ( 2.346 -1.634 -3.068) 4.194 2.644 ( -2.069 -10.125 1.370) 10.425 2.644 ( 2.069 -10.125 1.370) 10.425 2.942 ( -3.317 3.955 -0.873) 5.235 2.942 ( 3.317 3.955 -0.873) 5.235 3.153 ( -8.278 -3.314 -3.872) 9.721 3.153 ( 8.278 -3.314 -3.872) 9.721 4.093 ( -3.083 10.485 -8.256) 13.697 4.093 ( 3.083 10.485 -8.256) 13.697 4.446 ( -14.561 -4.768 -17.166) 23.009 4.446 ( 14.561 -4.768 -17.166) 23.009 4.815 ( -12.130 8.874 -4.418) 15.666 4.815 ( 12.130 8.874 -4.418) 15.666 5.158 ( -12.407 6.750 2.018) 14.268 5.158 ( 12.407 6.750 2.018) 14.268 5.308 ( -6.074 3.788 -2.100) 7.460 5.308 ( 6.074 3.788 -2.100) 7.460 5.801 ( -7.824 -10.340 -4.550) 13.742 5.801 ( 7.824 -10.340 -4.550) 13.742 5.975 ( -9.674 3.495 6.960) 12.420 5.975 ( 9.674 3.495 6.960) 12.420 6.103 ( -5.665 -4.882 8.710) 11.479 6.103 ( 5.665 -4.882 8.710) 11.479 7.458 ( -2.709 6.295 9.067) 11.365 7.458 ( 2.709 6.295 9.067) 11.365 7.731 ( -7.947 -5.540 11.962) 15.393 7.731 ( 7.947 -5.540 11.962) 15.393 8.454 ( -9.378 4.616 -4.860) 11.527 8.454 ( 9.378 4.616 -4.860) 11.527 8.701 ( -6.963 -6.161 -8.575) 12.648 8.701 ( 6.963 -6.161 -8.575) 12.648 10.102 ( -6.297 16.020 2.394) 17.379 10.102 ( 6.297 16.020 2.394) 17.379 10.474 ( -3.917 -0.535 -3.064) 5.002 10.474 ( 3.917 -0.535 -3.064) 5.002 10.610 ( -2.179 0.011 -7.515) 7.825 10.610 ( 2.179 0.011 -7.515) 7.825 10.974 ( -3.261 -11.626 0.114) 12.075 10.974 ( 3.261 -11.626 0.114) 12.075 12.808 ( -14.296 21.472 -10.279) 27.768 12.808 ( 14.296 21.472 -10.279) 27.768 13.535 ( -8.106 8.973 1.533) 12.189 13.535 ( 8.106 8.973 1.533) 12.189 13.917 ( -9.250 -21.303 -2.910) 23.406 13.917 ( 9.250 -21.303 -2.910) 23.406 14.092 ( -5.691 -14.661 3.734) 16.164 14.092 ( 5.691 -14.661 3.734) 16.164 14.718 ( -15.289 4.492 12.774) 20.424 14.718 ( 15.289 4.492 12.774) 20.424 14.984 ( -17.228 -6.666 13.437) 22.843 14.984 ( 17.228 -6.666 13.437) 22.843 17.401 ( -8.270 4.175 -4.003) 10.092 17.401 ( 8.270 4.175 -4.003) 10.092 17.478 ( -4.723 1.275 -7.538) 8.986 17.478 ( 4.723 1.275 -7.538) 8.986 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 -14.041 6.323) 15.399 1.676 ( 0.000 14.041 6.323) 15.399 2.015 ( 0.000 -15.285 7.121) 16.862 2.015 ( 0.000 15.285 7.121) 16.862 2.277 ( 0.000 -7.277 -3.580) 8.110 2.277 ( 0.000 7.277 -3.580) 8.110 2.899 ( 0.000 -5.598 -0.964) 5.681 2.899 ( 0.000 5.598 -0.964) 5.681 3.316 ( 0.000 -2.682 -13.200) 13.470 3.316 ( 0.000 2.682 -13.200) 13.470 3.575 ( 0.000 -10.957 -9.032) 14.199 3.575 ( 0.000 10.957 -9.032) 14.199 3.906 ( 0.000 -7.006 14.165) 15.802 3.906 ( 0.000 7.006 14.165) 15.802 4.345 ( 0.000 -10.562 9.217) 14.018 4.345 ( 0.000 10.562 9.217) 14.018 4.537 ( 0.000 -11.813 0.004) 11.813 4.537 ( 0.000 11.813 0.004) 11.813 4.849 ( 0.000 -9.918 -7.752) 12.588 4.849 ( 0.000 9.918 -7.752) 12.588 5.250 ( 0.000 -13.013 0.875) 13.043 5.250 ( 0.000 13.013 0.875) 13.043 5.997 ( 0.000 -8.143 3.750) 8.965 5.997 ( 0.000 8.143 3.750) 8.965 6.405 ( 0.000 -8.090 -8.198) 11.518 6.405 ( 0.000 8.090 -8.198) 11.518 6.741 ( 0.000 -1.875 -13.956) 14.082 6.741 ( 0.000 1.875 -13.956) 14.082 6.823 ( 0.000 -10.352 -4.418) 11.255 6.823 ( 0.000 10.352 -4.418) 11.255 7.293 ( 0.000 -4.046 -3.417) 5.296 7.293 ( 0.000 4.046 -3.417) 5.296 8.035 ( 0.000 -6.254 14.014) 15.347 8.035 ( 0.000 6.254 14.014) 15.347 9.086 ( 0.000 -0.172 7.149) 7.151 9.086 ( 0.000 0.172 7.149) 7.151 10.089 ( 0.000 -0.965 -2.518) 2.696 10.089 ( 0.000 0.965 -2.518) 2.696 10.167 ( 0.000 -14.886 -3.195) 15.224 10.167 ( 0.000 14.886 -3.195) 15.224 10.899 ( 0.000 -3.465 -7.281) 8.063 10.899 ( 0.000 3.465 -7.281) 8.063 11.087 ( 0.000 -8.591 -10.664) 13.694 11.087 ( 0.000 8.591 -10.664) 13.694 12.303 ( 0.000 -3.540 15.995) 16.382 12.303 ( 0.000 3.540 15.995) 16.382 13.022 ( 0.000 -31.365 8.005) 32.371 13.022 ( 0.000 31.365 8.005) 32.371 13.758 ( 0.000 -2.716 1.016) 2.900 13.758 ( 0.000 2.716 1.016) 2.900 14.449 ( 0.000 -0.963 8.409) 8.464 14.449 ( 0.000 0.963 8.409) 8.464 14.781 ( 0.000 -0.679 -12.402) 12.420 14.781 ( 0.000 0.679 -12.402) 12.420 14.906 ( 0.000 -2.805 -13.409) 13.700 14.906 ( 0.000 2.805 -13.409) 13.700 17.107 ( 0.000 -6.269 13.204) 14.617 17.107 ( 0.000 6.269 13.204) 14.617 17.766 ( 0.000 -1.934 0.177) 1.942 17.766 ( 0.000 1.934 0.177) 1.942 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 2.900 -12.693 6.553) 14.576 1.709 ( 2.900 12.693 6.553) 14.576 2.061 ( 3.842 -16.178 8.243) 18.559 2.061 ( 3.842 16.178 8.243) 18.559 2.269 ( -0.722 -6.300 -3.380) 7.185 2.269 ( -0.722 6.300 -3.380) 7.185 2.795 ( -8.366 -7.168 -1.992) 11.195 2.795 ( -8.366 7.168 -1.992) 11.195 3.304 ( -2.290 -3.195 -15.133) 15.635 3.304 ( -2.290 3.195 -15.133) 15.635 3.584 ( 0.720 -8.375 -7.522) 11.280 3.584 ( 0.720 8.375 -7.522) 11.280 3.901 ( -5.231 -3.002 10.382) 12.007 3.901 ( -5.231 3.002 10.382) 12.007 4.239 ( 1.892 -5.523 7.831) 9.768 4.239 ( 1.892 5.523 7.831) 9.768 4.668 ( 5.826 -3.937 1.872) 7.276 4.668 ( 5.826 3.937 1.872) 7.276 4.907 ( 5.582 -5.481 -6.243) 10.009 4.907 ( 5.582 5.481 -6.243) 10.009 5.239 ( -0.796 -10.057 -0.507) 10.101 5.239 ( -0.796 10.057 -0.507) 10.101 5.850 ( -9.316 -6.081 3.325) 11.611 5.850 ( -9.316 6.081 3.325) 11.611 6.385 ( -5.608 -7.119 -9.567) 13.177 6.385 ( -5.608 7.119 -9.567) 13.177 6.626 ( -6.674 -7.600 -3.392) 10.668 6.626 ( -6.674 7.600 -3.392) 10.668 6.951 ( 9.027 -8.108 -5.529) 13.334 6.951 ( 9.027 8.108 -5.529) 13.334 7.464 ( 13.266 -6.317 -1.735) 14.796 7.464 ( 13.266 6.317 -1.735) 14.796 8.071 ( 3.292 -5.281 7.756) 9.944 8.071 ( 3.292 5.281 7.756) 9.944 9.031 ( -4.896 -2.199 5.741) 7.859 9.031 ( -4.896 2.199 5.741) 7.859 10.095 ( 0.514 -6.615 -2.318) 7.028 10.095 ( 0.514 6.615 -2.318) 7.028 10.232 ( 5.811 -8.640 -2.346) 10.673 10.232 ( 5.811 8.640 -2.346) 10.673 10.859 ( -3.055 -6.056 -6.602) 9.465 10.859 ( -3.055 6.056 -6.602) 9.465 11.052 ( -3.651 -7.351 -9.515) 12.566 11.052 ( -3.651 7.351 -9.515) 12.566 12.445 ( 12.655 -1.529 12.420) 17.797 12.445 ( 12.655 1.529 12.420) 17.797 13.079 ( 5.448 -27.941 8.781) 29.791 13.079 ( 5.448 27.941 8.781) 29.791 13.774 ( 1.445 -2.400 0.438) 2.836 13.774 ( 1.445 2.400 0.438) 2.836 14.355 ( -15.563 -4.588 -8.713) 18.417 14.355 ( -15.563 4.588 -8.713) 18.417 14.495 ( -4.805 -0.831 8.702) 9.975 14.495 ( -4.805 0.831 8.702) 9.975 15.199 ( 12.115 -6.813 -12.130) 18.448 15.199 ( 12.115 6.813 -12.130) 18.448 17.118 ( 1.368 -6.099 9.823) 11.643 17.118 ( 1.368 6.099 9.823) 11.643 17.748 ( -1.710 -1.704 -0.429) 2.452 17.748 ( -1.710 1.704 -0.429) 2.452 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 4.100 -7.506 6.699) 10.864 1.784 ( 4.100 7.506 6.699) 10.864 2.123 ( -0.079 -15.059 12.905) 19.833 2.123 ( -0.079 15.059 12.905) 19.833 2.268 ( 1.924 -3.232 -4.001) 5.491 2.268 ( 1.924 3.232 -4.001) 5.491 2.621 ( -6.608 -6.055 -4.874) 10.203 2.621 ( -6.608 6.055 -4.874) 10.203 3.181 ( -8.843 -3.349 -11.199) 14.657 3.181 ( -8.843 3.349 -11.199) 14.657 3.533 ( -9.331 -4.316 -2.131) 10.500 3.533 ( -9.331 4.316 -2.131) 10.500 3.803 ( 3.610 -3.148 -6.239) 7.866 3.803 ( 3.610 3.148 -6.239) 7.866 4.464 ( 14.920 -11.956 8.518) 20.931 4.464 ( 14.920 11.956 8.518) 20.931 4.714 ( -1.738 -7.969 -1.915) 8.378 4.714 ( -1.738 7.969 -1.915) 8.378 5.071 ( 9.203 -4.681 -2.779) 10.693 5.071 ( 9.203 4.681 -2.779) 10.693 5.238 ( 1.444 -1.296 -4.005) 4.450 5.238 ( 1.444 1.296 -4.005) 4.450 5.698 ( -4.923 -2.025 2.588) 5.919 5.698 ( -4.923 2.025 2.588) 5.919 6.172 ( -12.430 -6.225 -5.633) 14.999 6.172 ( -12.430 6.225 -5.633) 14.999 6.482 ( -7.838 -2.287 1.384) 8.282 6.482 ( -7.838 2.287 1.384) 8.282 7.166 ( 10.990 -5.750 1.497) 12.493 7.166 ( 10.990 5.750 1.497) 12.493 7.704 ( 6.938 -7.027 9.328) 13.584 7.704 ( 6.938 7.027 9.328) 13.584 8.180 ( 7.478 -6.612 -7.606) 12.550 8.180 ( 7.478 6.612 -7.606) 12.550 8.899 ( -7.191 -4.093 2.187) 8.558 8.899 ( -7.191 4.093 2.187) 8.558 10.123 ( 2.597 -8.556 -2.025) 9.168 10.123 ( 2.597 8.556 -2.025) 9.168 10.373 ( 6.610 -4.609 -1.751) 8.246 10.373 ( 6.610 4.609 -1.751) 8.246 10.798 ( -2.579 -7.393 -5.908) 9.809 10.798 ( -2.579 7.393 -5.908) 9.809 10.932 ( -7.314 -6.798 -5.527) 11.413 10.932 ( -7.314 6.798 -5.527) 11.413 12.772 ( 16.579 -12.731 2.705) 21.078 12.772 ( 16.579 12.731 2.705) 21.078 13.252 ( 10.887 -16.551 9.901) 22.148 13.252 ( 10.887 16.551 9.901) 22.148 13.794 ( -1.625 -10.319 -1.369) 10.535 13.794 ( -1.625 10.319 -1.369) 10.535 14.012 ( -11.965 -4.796 -5.018) 13.833 14.012 ( -11.965 4.796 -5.018) 13.833 14.476 ( 0.925 -3.179 11.484) 11.952 14.476 ( 0.925 3.179 11.484) 11.952 15.321 ( -1.018 -7.293 -3.453) 8.133 15.321 ( -1.018 7.293 -3.453) 8.133 17.181 ( 4.854 -5.450 1.891) 7.539 17.181 ( 4.854 5.450 1.891) 7.539 17.694 ( -3.477 -1.006 -2.025) 4.148 17.694 ( -3.477 1.006 -2.025) 4.148 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 4.464 -1.150 6.933) 8.326 1.878 ( 4.464 1.150 6.933) 8.326 2.053 ( -4.801 -6.956 10.318) 13.338 2.053 ( -4.801 6.956 10.318) 13.338 2.340 ( 3.941 -0.299 1.437) 4.206 2.340 ( 3.941 0.299 1.437) 4.206 2.542 ( -2.353 -2.325 -6.225) 7.049 2.542 ( -2.353 2.325 -6.225) 7.049 3.012 ( -4.460 -2.310 -6.078) 7.884 3.012 ( -4.460 2.310 -6.078) 7.884 3.288 ( -11.943 -5.470 -1.514) 13.223 3.288 ( -11.943 5.470 -1.514) 13.223 3.995 ( 12.436 -2.099 -14.424) 19.160 3.995 ( 12.436 2.099 -14.424) 19.160 4.567 ( -10.823 -9.898 -7.822) 16.622 4.567 ( -10.823 9.898 -7.822) 16.622 4.792 ( 14.506 -11.928 2.735) 18.979 4.792 ( 14.506 11.928 2.735) 18.979 5.211 ( -0.072 -6.824 -3.613) 7.722 5.211 ( -0.072 6.824 -3.613) 7.722 5.328 ( 8.368 -6.377 -4.814) 11.570 5.328 ( 8.368 6.377 -4.814) 11.570 5.638 ( -1.729 -6.660 -1.066) 6.963 5.638 ( -1.729 6.660 -1.066) 6.963 5.955 ( -5.282 -7.187 6.321) 10.932 5.955 ( -5.282 7.187 6.321) 10.932 6.281 ( -11.137 -0.281 5.638) 12.486 6.281 ( -11.137 0.281 5.638) 12.486 7.396 ( 10.567 -1.802 6.618) 12.598 7.396 ( 10.567 1.802 6.618) 12.598 7.730 ( -3.483 -6.703 14.094) 15.990 7.730 ( -3.483 6.703 14.094) 15.990 8.373 ( 9.886 -7.814 -11.947) 17.364 8.373 ( 9.886 7.814 -11.947) 17.364 8.741 ( -7.799 -5.295 -2.342) 9.713 8.741 ( -7.799 5.295 -2.342) 9.713 10.217 ( 6.378 -8.435 -2.887) 10.962 10.217 ( 6.378 8.435 -2.887) 10.962 10.467 ( 0.891 -2.631 -3.545) 4.503 10.467 ( 0.891 2.631 -3.545) 4.503 10.736 ( -3.428 -4.740 -6.315) 8.608 10.736 ( -3.428 4.740 -6.315) 8.608 10.791 ( -4.568 -9.948 1.651) 11.070 10.791 ( -4.568 9.948 1.651) 11.070 13.081 ( 12.512 -24.176 -4.423) 27.579 13.081 ( 12.512 24.176 -4.423) 27.579 13.463 ( 2.385 -4.109 -2.782) 5.505 13.463 ( 2.385 4.109 -2.782) 5.505 13.676 ( -0.397 -10.870 4.832) 11.902 13.676 ( -0.397 10.870 4.832) 11.902 13.925 ( -1.492 -9.261 0.431) 9.391 13.925 ( -1.492 9.261 0.431) 9.391 14.562 ( 8.565 -4.802 13.148) 16.410 14.562 ( 8.565 4.802 13.148) 16.410 15.167 ( -12.785 -7.241 6.664) 16.134 15.167 ( -12.785 7.241 6.664) 16.134 17.314 ( 7.335 -4.009 -4.106) 9.313 17.314 ( 7.335 4.009 -4.106) 9.313 17.601 ( -5.365 -0.455 -4.034) 6.728 17.601 ( -5.365 0.455 -4.034) 6.728 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -2.699 -6.064 8.433) 10.732 1.962 ( 1.008 -5.934 8.433) 10.360 1.962 ( -1.008 5.934 8.433) 10.360 1.962 ( 2.699 6.064 8.433) 10.732 2.447 ( -3.937 -6.796 -1.583) 8.012 2.447 ( -0.380 -6.507 -1.583) 6.708 2.447 ( 0.380 6.507 -1.583) 6.708 2.447 ( 3.937 6.796 -1.583) 8.012 3.064 ( -7.948 -5.689 -3.448) 10.365 3.064 ( 2.479 -4.255 -3.448) 6.012 3.064 ( -2.479 4.255 -3.448) 6.012 3.064 ( 7.948 5.689 -3.448) 10.365 4.286 ( -11.854 -8.010 -13.790) 19.871 4.286 ( -5.412 -6.029 -13.790) 15.994 4.286 ( 5.412 6.029 -13.790) 15.994 4.286 ( 11.854 8.010 -13.790) 19.871 5.071 ( -10.032 -11.897 -3.013) 15.851 5.071 ( 5.048 -11.080 -3.013) 12.543 5.071 ( -5.048 11.080 -3.013) 12.543 5.071 ( 10.032 11.897 -3.013) 15.851 5.524 ( -7.034 -14.050 -3.115) 16.018 5.524 ( 4.046 -13.752 -3.115) 14.669 5.524 ( -4.046 13.752 -3.115) 14.669 5.524 ( 7.034 14.050 -3.115) 16.018 6.038 ( -10.162 -2.297 10.154) 14.548 6.038 ( -9.108 0.442 10.154) 13.647 6.038 ( 9.108 -0.442 10.154) 13.647 6.038 ( 10.163 2.297 10.154) 14.548 7.599 ( -6.598 -6.662 10.910) 14.385 7.599 ( -0.727 -5.799 10.910) 12.377 7.599 ( 0.727 5.799 10.910) 12.377 7.599 ( 6.598 6.662 10.910) 14.385 8.569 ( -8.626 -6.458 -7.326) 13.030 8.569 ( 7.683 -6.153 -7.326) 12.270 8.569 ( -7.683 6.153 -7.326) 12.270 8.569 ( 8.626 6.458 -7.326) 13.030 10.376 ( -6.815 -9.333 -4.830) 12.524 10.376 ( 3.675 -8.880 -4.830) 10.756 10.376 ( -3.675 8.880 -4.830) 10.756 10.376 ( 6.815 9.333 -4.830) 12.524 10.725 ( -2.153 -10.986 -0.042) 11.195 10.725 ( 2.151 -10.986 -0.042) 11.195 10.725 ( -2.151 10.986 -0.042) 11.195 10.725 ( 2.153 10.986 -0.042) 11.195 13.315 ( -8.671 -26.697 -6.172) 28.741 13.315 ( 7.209 -26.588 -6.172) 28.231 13.315 ( -7.209 26.588 -6.172) 28.231 13.315 ( 8.671 26.697 -6.172) 28.741 13.829 ( -7.812 -11.563 2.572) 14.190 13.829 ( 7.808 -11.563 2.572) 14.187 13.829 ( -7.808 11.563 2.572) 14.187 13.829 ( 7.812 11.563 2.572) 14.190 14.841 ( -16.384 -6.973 13.012) 22.054 14.841 ( -12.890 4.802 13.012) 18.935 14.841 ( 12.890 -4.802 13.012) 18.935 14.841 ( 16.384 6.973 13.012) 22.054 17.469 ( -7.027 -2.111 -5.392) 9.105 17.469 ( -6.864 1.973 -5.392) 8.949 17.469 ( 6.864 -1.973 -5.392) 8.949 17.469 ( 7.027 2.111 -5.392) 9.105 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.000 0.000 20.534) 20.534 1.543 ( 0.000 0.000 23.886) 23.886 2.251 ( 0.000 0.000 -9.107) 9.107 2.300 ( 0.000 0.000 -6.491) 6.491 2.546 ( 0.000 0.000 -6.368) 6.368 2.599 ( 0.000 0.000 -5.256) 5.256 2.603 ( 0.000 0.000 -6.381) 6.381 2.763 ( 0.000 0.000 -15.862) 15.862 3.001 ( 0.000 0.000 4.922) 4.922 3.235 ( 0.000 0.000 18.826) 18.826 3.371 ( 0.000 0.000 15.372) 15.372 3.391 ( 0.000 0.000 -2.638) 2.638 3.409 ( 0.000 0.000 -3.224) 3.224 4.055 ( 0.000 0.000 14.529) 14.529 4.286 ( 0.000 0.000 -5.329) 5.329 4.443 ( 0.000 0.000 9.340) 9.340 4.487 ( 0.000 0.000 2.579) 2.579 4.773 ( 0.000 0.000 2.720) 2.720 4.889 ( 0.000 0.000 0.402) 0.402 4.995 ( 0.000 0.000 -14.498) 14.498 5.328 ( 0.000 0.000 3.431) 3.431 5.429 ( 0.000 0.000 -5.191) 5.191 5.974 ( 0.000 0.000 -6.492) 6.492 5.983 ( 0.000 0.000 -11.134) 11.134 6.000 ( 0.000 0.000 -7.355) 7.355 6.172 ( 0.000 0.000 -32.237) 32.237 6.378 ( 0.000 0.000 16.953) 16.953 6.792 ( 0.000 0.000 -0.639) 0.639 6.842 ( 0.000 0.000 -3.177) 3.177 7.055 ( 0.000 0.000 -0.853) 0.853 7.065 ( 0.000 0.000 -5.988) 5.988 7.295 ( 0.000 0.000 -6.019) 6.019 7.989 ( 0.000 0.000 8.229) 8.229 8.375 ( 0.000 0.000 -2.130) 2.130 9.365 ( 0.000 0.000 10.986) 10.986 9.405 ( 0.000 0.000 13.169) 13.169 9.494 ( 0.000 0.000 7.423) 7.423 9.721 ( 0.000 0.000 -1.639) 1.639 10.070 ( 0.000 0.000 8.969) 8.969 10.328 ( 0.000 0.000 -10.703) 10.703 10.580 ( 0.000 0.000 -10.899) 10.899 10.720 ( 0.000 0.000 -8.712) 8.712 10.906 ( 0.000 0.000 -14.560) 14.560 11.099 ( 0.000 0.000 -17.697) 17.697 12.103 ( 0.000 0.000 18.026) 18.026 12.482 ( 0.000 0.000 28.871) 28.871 12.785 ( 0.000 0.000 26.773) 26.773 13.590 ( 0.000 0.000 -28.556) 28.556 13.980 ( 0.000 0.000 -13.685) 13.685 14.246 ( 0.000 0.000 -18.339) 18.339 14.425 ( 0.000 0.000 9.141) 9.141 14.535 ( 0.000 0.000 1.224) 1.224 14.653 ( 0.000 0.000 -0.630) 0.630 14.785 ( 0.000 0.000 -3.070) 3.070 14.859 ( 0.000 0.000 5.652) 5.652 14.982 ( 0.000 0.000 2.533) 2.533 17.255 ( 0.000 0.000 13.182) 13.182 17.498 ( 0.000 0.000 0.060) 0.060 17.571 ( 0.000 0.000 -1.805) 1.805 17.649 ( 0.000 0.000 -2.167) 2.167 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 8.319 0.000 17.574) 19.443 1.613 ( 5.747 0.000 21.337) 22.097 2.247 ( -0.324 0.000 -9.214) 9.220 2.259 ( -4.023 0.000 -7.635) 8.630 2.563 ( 0.282 0.000 -3.689) 3.700 2.613 ( -0.650 0.000 -7.901) 7.928 2.619 ( 2.269 0.000 -7.369) 7.710 2.851 ( 7.195 0.000 -15.353) 16.955 2.976 ( 0.465 0.000 6.334) 6.352 3.187 ( -8.638 0.000 -0.223) 8.641 3.367 ( -0.744 0.000 -1.161) 1.379 3.390 ( 7.299 0.000 30.931) 31.780 3.470 ( 3.162 0.000 -3.736) 4.895 3.881 ( -11.102 0.000 14.332) 18.130 4.170 ( -10.197 0.000 -4.355) 11.088 4.300 ( -13.741 0.000 8.171) 15.986 4.556 ( 6.424 0.000 1.949) 6.713 4.811 ( 3.906 0.000 6.794) 7.837 4.966 ( 4.862 0.000 -4.778) 6.817 5.015 ( 2.990 0.000 -12.524) 12.876 5.367 ( -5.823 0.000 -3.428) 6.757 5.425 ( 6.994 0.000 5.811) 9.093 5.759 ( -14.719 0.000 -6.618) 16.138 5.928 ( -4.821 0.000 -15.745) 16.466 5.943 ( -5.093 0.000 -8.448) 9.865 6.199 ( 2.390 0.000 -22.329) 22.456 6.609 ( 16.522 0.000 13.096) 21.083 6.636 ( -8.332 0.000 3.080) 8.883 6.779 ( -8.025 0.000 -3.197) 8.638 7.178 ( 9.785 0.000 0.792) 9.817 7.188 ( 9.686 0.000 -4.606) 10.725 7.512 ( 16.901 0.000 -7.350) 18.430 7.991 ( 0.690 0.000 5.019) 5.067 8.393 ( 1.495 0.000 -3.767) 4.053 9.307 ( -8.452 0.000 11.417) 14.205 9.334 ( -4.106 0.000 10.744) 11.502 9.532 ( 3.356 0.000 8.044) 8.716 9.743 ( 2.069 0.000 -0.422) 2.112 10.117 ( 4.229 0.000 7.308) 8.444 10.330 ( 0.554 0.000 -9.553) 9.569 10.578 ( -0.675 0.000 -6.689) 6.723 10.770 ( 5.147 0.000 -11.125) 12.258 10.874 ( -2.773 0.000 -13.603) 13.883 11.106 ( 0.446 0.000 -17.856) 17.862 11.926 ( -11.963 0.000 15.497) 19.577 12.623 ( 12.343 0.000 26.528) 29.259 13.065 ( 20.800 0.000 24.061) 31.805 13.333 ( -18.581 0.000 -26.272) 32.178 13.981 ( 0.076 0.000 -12.006) 12.006 14.272 ( -10.191 0.000 12.292) 15.967 14.400 ( 9.101 0.000 -13.117) 15.965 14.587 ( 1.791 0.000 1.808) 2.545 14.666 ( 1.105 0.000 -0.551) 1.235 14.752 ( -1.684 0.000 14.474) 14.572 14.854 ( 6.905 0.000 -6.039) 9.174 15.250 ( 15.546 0.000 -8.628) 17.779 17.225 ( -2.682 0.000 12.146) 12.439 17.467 ( -2.902 0.000 -0.997) 3.069 17.486 ( -7.394 0.000 -1.655) 7.577 17.616 ( -3.139 0.000 -2.572) 4.058 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 6.732 0.000 14.284) 15.791 1.773 ( 8.067 0.000 9.136) 12.187 2.131 ( -7.777 0.000 -8.102) 11.231 2.223 ( -2.388 0.000 -6.943) 7.342 2.527 ( -2.537 0.000 -3.219) 4.098 2.569 ( -1.658 0.000 -6.674) 6.877 2.704 ( 4.667 0.000 -0.231) 4.673 2.903 ( -7.101 0.000 -1.237) 7.208 3.023 ( 0.400 0.000 -1.924) 1.965 3.064 ( 3.346 0.000 -12.041) 12.497 3.343 ( -1.808 0.000 0.081) 1.810 3.495 ( -0.698 0.000 -3.075) 3.153 3.675 ( 19.006 0.000 19.733) 27.397 3.759 ( 0.953 0.000 8.448) 8.501 3.902 ( -13.283 0.000 -2.047) 13.440 4.040 ( -9.618 0.000 14.210) 17.159 4.606 ( -2.807 0.000 -12.769) 13.074 4.949 ( 8.605 0.000 13.455) 15.971 5.068 ( 6.260 0.000 -7.165) 9.515 5.147 ( 8.432 0.000 -7.039) 10.984 5.208 ( -8.072 0.000 0.445) 8.084 5.472 ( -10.865 0.000 -3.044) 11.284 5.489 ( -4.287 0.000 3.864) 5.772 5.798 ( -5.579 0.000 -18.592) 19.411 5.836 ( -5.173 0.000 -8.960) 10.346 6.234 ( -0.799 0.000 -13.011) 13.036 6.486 ( -5.224 0.000 6.312) 8.193 6.598 ( -7.811 0.000 0.236) 7.815 6.969 ( 16.700 0.000 11.637) 20.354 7.391 ( 8.357 0.000 -1.411) 8.475 7.412 ( 12.445 0.000 3.801) 13.013 7.876 ( 15.843 0.000 -3.725) 16.275 8.050 ( 5.254 0.000 -2.077) 5.650 8.421 ( 0.771 0.000 -6.549) 6.594 9.057 ( -14.166 0.000 11.972) 18.547 9.194 ( -9.268 0.000 5.861) 10.966 9.619 ( 4.501 0.000 8.989) 10.052 9.803 ( 3.289 0.000 1.137) 3.480 10.228 ( 5.787 0.000 5.715) 8.133 10.351 ( 1.376 0.000 -7.609) 7.733 10.575 ( 0.542 0.000 -5.452) 5.479 10.804 ( -3.792 0.000 -9.743) 10.454 10.899 ( 6.023 0.000 -10.427) 12.041 11.109 ( -0.228 0.000 -16.644) 16.645 11.721 ( -5.918 0.000 6.547) 8.825 12.864 ( -22.424 0.000 -25.979) 34.318 12.938 ( 16.103 0.000 21.063) 26.513 13.596 ( 25.469 0.000 21.840) 33.551 13.935 ( -7.015 0.000 3.081) 7.662 14.131 ( 0.251 0.000 5.422) 5.428 14.522 ( 2.520 0.000 -6.137) 6.634 14.586 ( -1.720 0.000 0.998) 1.989 14.704 ( 2.950 0.000 2.079) 3.609 14.819 ( 7.623 0.000 16.334) 18.025 15.038 ( 8.464 0.000 -7.204) 11.115 15.524 ( 9.043 0.000 -9.485) 13.105 17.160 ( -2.807 0.000 8.524) 8.975 17.305 ( -8.594 0.000 -3.288) 9.202 17.383 ( -4.868 0.000 -3.944) 6.266 17.520 ( -5.911 0.000 -3.565) 6.902 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.830 0.000 -2.917) 3.032 1.900 ( 7.886 0.000 4.220) 8.944 1.960 ( -7.828 0.000 -7.688) 10.971 2.159 ( -3.354 0.000 -6.102) 6.963 2.544 ( 5.252 0.000 5.776) 7.807 2.561 ( 0.269 0.000 -3.749) 3.758 2.725 ( -8.353 0.000 1.658) 8.516 2.766 ( 0.139 0.000 5.002) 5.004 2.996 ( -0.632 0.000 -4.715) 4.757 3.113 ( -1.536 0.000 -13.676) 13.762 3.324 ( 1.093 0.000 -0.584) 1.239 3.469 ( -2.212 0.000 -3.924) 4.504 3.704 ( -3.110 0.000 3.947) 5.025 3.858 ( -6.127 0.000 6.113) 8.655 3.875 ( 9.255 0.000 -0.575) 9.273 4.182 ( 24.870 0.000 11.170) 27.264 4.430 ( -12.974 0.000 -16.251) 20.795 5.077 ( -0.097 0.000 7.612) 7.613 5.096 ( -0.874 0.000 8.688) 8.731 5.168 ( -11.119 0.000 -8.582) 14.046 5.285 ( 0.693 0.000 -1.110) 1.309 5.345 ( 9.437 0.000 -1.831) 9.613 5.377 ( 3.446 0.000 -2.405) 4.202 5.710 ( -7.042 0.000 -6.705) 9.724 5.719 ( -2.232 0.000 -7.912) 8.221 6.094 ( -12.006 0.000 -9.949) 15.593 6.444 ( 0.500 0.000 6.415) 6.435 6.495 ( -2.126 0.000 4.495) 4.972 7.279 ( 12.307 0.000 9.588) 15.602 7.505 ( 2.072 0.000 2.533) 3.272 7.706 ( 15.340 0.000 6.628) 16.711 8.141 ( 9.663 0.000 1.416) 9.766 8.162 ( 2.138 0.000 -3.409) 4.024 8.415 ( -1.808 0.000 -8.303) 8.498 8.780 ( -9.286 0.000 8.886) 12.853 8.972 ( -10.915 0.000 2.125) 11.120 9.713 ( 4.518 0.000 8.004) 9.191 9.849 ( 0.172 0.000 2.948) 2.953 10.359 ( 7.143 0.000 5.493) 9.011 10.398 ( 3.364 0.000 -7.535) 8.252 10.566 ( -2.146 0.000 -7.629) 7.925 10.701 ( -6.466 0.000 -1.639) 6.670 11.004 ( 3.987 0.000 -8.676) 9.548 11.100 ( -0.712 0.000 -12.869) 12.889 11.726 ( 6.861 0.000 -7.472) 10.144 12.398 ( -21.373 0.000 -23.043) 31.429 13.253 ( 13.467 0.000 16.098) 20.988 13.735 ( -10.476 0.000 13.023) 16.714 14.092 ( 20.217 0.000 13.550) 24.338 14.232 ( 7.162 0.000 -1.842) 7.395 14.517 ( -4.817 0.000 -0.901) 4.900 14.518 ( -2.664 0.000 -2.931) 3.961 14.810 ( 7.414 0.000 6.163) 9.641 15.061 ( 14.752 0.000 16.065) 21.811 15.128 ( -1.003 0.000 0.865) 1.324 15.586 ( -3.704 0.000 0.319) 3.718 17.139 ( 1.393 0.000 2.237) 2.635 17.173 ( -3.120 0.000 -7.861) 8.458 17.273 ( -5.312 0.000 -7.650) 9.313 17.375 ( -7.503 0.000 -4.307) 8.651 ======================= Grid point 193 (65/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -2.461 0.000 -7.122) 7.535 1.842 ( 2.461 0.000 -7.122) 7.535 2.061 ( -6.545 0.000 -4.634) 8.019 2.061 ( 6.545 0.000 -4.634) 8.019 2.590 ( -3.549 0.000 1.688) 3.930 2.590 ( 3.549 0.000 1.688) 3.930 2.691 ( -6.696 0.000 7.710) 10.212 2.691 ( 6.696 0.000 7.710) 10.212 3.036 ( -3.998 0.000 -9.685) 10.477 3.036 ( 3.998 0.000 -9.685) 10.477 3.393 ( -4.477 0.000 -2.284) 5.026 3.393 ( 4.477 0.000 -2.284) 5.026 3.738 ( -4.720 0.000 6.530) 8.058 3.738 ( 4.720 0.000 6.530) 8.058 4.129 ( -14.224 0.000 -10.263) 17.540 4.129 ( 14.224 0.000 -10.263) 17.540 4.716 ( -24.894 0.000 -2.879) 25.060 4.716 ( 24.894 0.000 -2.879) 25.060 5.073 ( -1.038 0.000 7.015) 7.091 5.073 ( 1.038 0.000 7.015) 7.091 5.417 ( -4.262 0.000 1.968) 4.694 5.417 ( 4.262 0.000 1.968) 4.694 5.538 ( -9.074 0.000 -3.307) 9.658 5.538 ( 9.074 0.000 -3.307) 9.658 5.813 ( -12.145 0.000 -9.332) 15.316 5.813 ( 12.145 0.000 -9.332) 15.316 6.467 ( -1.207 0.000 5.989) 6.109 6.467 ( 1.207 0.000 5.989) 6.109 7.469 ( -5.508 0.000 6.432) 8.468 7.469 ( 5.508 0.000 6.432) 8.468 8.025 ( -13.437 0.000 6.427) 14.895 8.025 ( 13.437 0.000 6.427) 14.895 8.317 ( -6.965 0.000 -3.575) 7.829 8.317 ( 6.965 0.000 -3.575) 7.829 8.773 ( -6.895 0.000 0.842) 6.946 8.773 ( 6.895 0.000 0.842) 6.946 9.805 ( -3.820 0.000 5.537) 6.727 9.805 ( 3.820 0.000 5.537) 6.727 10.488 ( -4.685 0.000 -8.422) 9.637 10.488 ( 4.685 0.000 -8.422) 9.637 10.533 ( -8.917 0.000 3.902) 9.734 10.533 ( 8.917 0.000 3.902) 9.734 11.070 ( -2.276 0.000 -9.400) 9.672 11.070 ( 2.276 0.000 -9.400) 9.672 11.988 ( -16.937 0.000 -17.736) 24.524 11.988 ( 16.937 0.000 -17.736) 24.524 13.509 ( -11.175 0.000 14.089) 17.983 13.509 ( 11.175 0.000 14.089) 17.983 14.388 ( -7.153 0.000 -2.100) 7.455 14.388 ( 7.153 0.000 -2.100) 7.455 14.401 ( -9.266 0.000 2.663) 9.642 14.401 ( 9.266 0.000 2.663) 9.642 15.003 ( -9.508 0.000 8.024) 12.441 15.003 ( 9.508 0.000 8.024) 12.441 15.384 ( -14.214 0.000 10.907) 17.916 15.384 ( 14.214 0.000 10.907) 17.916 17.178 ( -3.065 0.000 -10.006) 10.465 17.178 ( 3.065 0.000 -10.006) 10.465 17.224 ( -6.273 0.000 -2.950) 6.932 17.224 ( 6.273 0.000 -2.950) 6.932 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 5.289 17.457) 18.240 1.639 ( 0.000 9.041 21.498) 23.321 2.125 ( 0.000 -7.201 -12.020) 14.011 2.301 ( 0.000 -3.445 -0.189) 3.450 2.418 ( 0.000 -10.709 -5.314) 11.955 2.618 ( 0.000 5.728 -4.054) 7.018 2.725 ( 0.000 3.667 -7.721) 8.548 2.791 ( 0.000 3.605 -9.449) 10.114 2.937 ( 0.000 -3.268 -2.015) 3.840 3.163 ( 0.000 -7.701 6.529) 10.096 3.352 ( 0.000 -1.897 7.868) 8.093 3.535 ( 0.000 13.727 3.233) 14.102 3.541 ( 0.000 8.949 -4.053) 9.824 4.150 ( 0.000 7.482 17.203) 18.760 4.196 ( 0.000 -6.395 -4.612) 7.884 4.353 ( 0.000 -5.775 8.710) 10.451 4.532 ( 0.000 6.888 9.994) 12.138 4.749 ( 0.000 -2.422 2.724) 3.645 4.873 ( 0.000 -0.451 0.992) 1.089 4.961 ( 0.000 -3.313 -13.139) 13.551 5.264 ( 0.000 -6.049 3.739) 7.111 5.551 ( 0.000 5.291 -11.983) 13.100 5.883 ( 0.000 -2.824 -4.862) 5.623 6.102 ( 0.000 5.816 -4.595) 7.413 6.148 ( 0.000 11.054 -8.905) 14.195 6.169 ( 0.000 -0.018 -29.955) 29.955 6.292 ( 0.000 -4.444 9.727) 10.694 6.644 ( 0.000 -14.792 -3.280) 15.151 6.786 ( 0.000 -1.469 1.389) 2.022 7.084 ( 0.000 2.896 -1.156) 3.118 7.090 ( 0.000 -1.688 -5.335) 5.596 7.283 ( 0.000 -0.688 -5.907) 5.947 8.030 ( 0.000 4.031 9.269) 10.108 8.393 ( 0.000 1.303 0.539) 1.410 9.332 ( 0.000 -2.872 9.798) 10.210 9.337 ( 0.000 -5.481 11.444) 12.688 9.607 ( 0.000 10.392 6.091) 12.045 9.804 ( 0.000 6.802 -2.038) 7.100 10.095 ( 0.000 1.697 7.556) 7.744 10.281 ( 0.000 -3.901 -9.988) 10.723 10.608 ( 0.000 2.685 -12.549) 12.833 10.714 ( 0.000 -0.014 -6.060) 6.060 10.934 ( 0.000 1.516 -13.205) 13.292 11.076 ( 0.000 -2.164 -15.926) 16.072 12.247 ( 0.000 13.424 16.290) 21.109 12.493 ( 0.000 1.800 27.783) 27.841 12.785 ( 0.000 -0.279 25.840) 25.841 13.608 ( 0.000 1.333 -24.258) 24.294 14.005 ( 0.000 2.575 -13.764) 14.003 14.157 ( 0.000 -9.401 -5.801) 11.047 14.326 ( 0.000 -17.751 1.122) 17.786 14.381 ( 0.000 -1.433 -1.085) 1.797 14.637 ( 0.000 -2.562 -3.071) 3.999 14.753 ( 0.000 -4.869 -10.060) 11.177 14.869 ( 0.000 1.723 9.427) 9.583 14.988 ( 0.000 0.046 4.091) 4.091 17.239 ( 0.000 -0.689 11.476) 11.497 17.491 ( 0.000 -5.364 -0.036) 5.364 17.574 ( 0.000 6.113 0.873) 6.175 17.711 ( 0.000 3.625 -1.510) 3.927 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 7.982 4.705 14.863) 17.514 1.698 ( 4.883 7.821 18.974) 21.096 2.129 ( 0.211 -6.020 -11.747) 13.201 2.285 ( -1.956 -2.265 -0.525) 3.038 2.407 ( -1.232 -9.953 -3.880) 10.753 2.591 ( -0.754 1.177 -3.785) 4.035 2.777 ( -0.409 5.942 -4.176) 7.274 2.860 ( 7.406 0.107 -13.201) 15.137 2.925 ( -0.472 -3.442 -2.609) 4.344 3.090 ( -6.882 -7.093 -1.268) 9.964 3.321 ( -0.763 -1.694 7.798) 8.016 3.555 ( 4.383 9.570 7.881) 13.150 3.612 ( 3.149 11.868 -1.945) 12.431 3.971 ( -12.494 7.044 13.895) 19.970 4.107 ( -7.428 -2.308 -3.552) 8.551 4.222 ( -9.380 -4.341 12.791) 16.445 4.614 ( 5.333 3.493 3.517) 7.280 4.797 ( -0.593 0.599 1.130) 1.410 4.881 ( 3.953 -5.106 -0.876) 6.516 5.026 ( 7.052 0.673 -5.905) 9.222 5.311 ( 1.910 -6.003 1.785) 6.547 5.484 ( -6.033 0.037 -9.709) 11.431 5.780 ( -8.462 3.512 -3.495) 9.806 5.973 ( -5.654 0.089 -3.577) 6.691 5.997 ( -8.984 5.859 -14.369) 17.931 6.205 ( 2.792 0.779 -18.703) 18.926 6.538 ( 8.213 -1.741 0.260) 8.400 6.569 ( -2.705 -7.525 4.285) 9.072 6.799 ( 1.360 1.130 1.954) 2.635 7.154 ( 9.841 -1.988 -3.554) 10.651 7.207 ( 8.309 1.118 -0.435) 8.395 7.503 ( 16.861 -0.928 -7.406) 18.439 8.024 ( -0.086 3.390 6.616) 7.435 8.401 ( 0.699 0.434 -0.875) 1.201 9.242 ( -8.697 -5.546 11.462) 15.420 9.286 ( -4.611 -3.710 7.996) 9.948 9.642 ( 3.064 10.007 6.744) 12.450 9.840 ( 3.040 7.904 -1.552) 8.610 10.142 ( 4.104 1.667 6.383) 7.769 10.296 ( 1.324 -2.834 -8.425) 8.987 10.599 ( -1.248 2.331 -8.253) 8.666 10.727 ( 1.915 -2.775 -8.282) 8.941 10.909 ( -2.001 1.711 -12.673) 12.943 11.081 ( 0.280 -2.431 -16.062) 16.247 12.077 ( -10.657 14.069 14.056) 22.563 12.633 ( 12.375 1.401 24.830) 27.778 13.064 ( 19.669 -0.235 22.108) 29.592 13.391 ( -15.644 5.483 -22.547) 27.985 13.978 ( -0.899 -0.310 -11.199) 11.239 14.177 ( -2.475 -8.655 8.077) 12.094 14.316 ( 0.683 -14.528 2.861) 14.823 14.470 ( 0.810 -3.365 -9.656) 10.257 14.582 ( 3.278 -7.281 -0.925) 8.038 14.715 ( -1.441 -1.912 4.865) 5.422 14.917 ( 5.821 3.376 1.815) 6.970 15.222 ( 14.542 -2.824 -7.985) 16.829 17.210 ( -2.563 -0.581 10.396) 10.723 17.429 ( -5.497 -4.159 -0.310) 6.900 17.544 ( -2.781 6.208 -0.049) 6.803 17.669 ( -3.696 3.708 -1.966) 5.592 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 6.680 5.689 8.750) 12.391 1.830 ( 7.682 4.609 11.608) 14.663 2.122 ( -1.374 -1.655 -10.262) 10.485 2.200 ( -5.669 -1.081 -0.003) 5.771 2.377 ( -1.086 -8.314 -0.647) 8.410 2.591 ( -0.055 -2.300 -1.338) 2.661 2.711 ( -3.104 -1.256 -2.097) 3.951 2.883 ( -3.977 -4.906 -3.522) 7.231 2.962 ( -2.359 -5.319 -7.306) 9.340 3.025 ( 4.741 1.446 -8.836) 10.131 3.312 ( -2.401 -2.566 2.048) 4.067 3.571 ( -5.062 2.376 -5.430) 7.795 3.693 ( 2.749 -0.440 6.978) 7.513 3.849 ( 3.668 7.315 8.222) 11.600 3.940 ( -5.197 7.498 -0.936) 9.171 4.055 ( -3.534 4.729 17.320) 18.298 4.683 ( -1.396 5.927 -12.005) 13.461 4.828 ( 5.178 -5.278 4.191) 8.499 4.990 ( 6.614 -5.604 -0.885) 8.714 5.183 ( -9.889 -3.910 -4.864) 11.693 5.219 ( 7.137 4.929 1.365) 8.780 5.394 ( -1.792 -6.562 -3.393) 7.601 5.656 ( -2.566 7.944 0.521) 8.365 5.732 ( -13.873 3.430 -12.377) 18.906 5.963 ( 1.434 2.126 -5.944) 6.473 6.248 ( -0.075 0.924 -9.891) 9.934 6.436 ( -5.442 -2.595 4.566) 7.563 6.532 ( -6.976 -4.844 -0.934) 8.544 7.035 ( 16.074 5.430 9.036) 19.223 7.373 ( 9.167 -2.162 -0.632) 9.440 7.428 ( 12.320 2.269 2.265) 12.730 7.870 ( 16.172 -0.731 -4.632) 16.839 8.057 ( 3.856 0.940 0.071) 3.969 8.413 ( 0.173 -1.092 -3.826) 3.983 8.994 ( -14.075 -5.225 10.572) 18.362 9.138 ( -9.175 -4.574 4.654) 11.259 9.722 ( 4.168 9.206 7.594) 12.641 9.914 ( 3.516 9.408 -0.612) 10.062 10.241 ( 4.814 0.326 4.622) 6.681 10.329 ( 1.797 -1.200 -6.114) 6.484 10.580 ( -0.479 0.725 -6.669) 6.726 10.747 ( -1.544 -4.536 -5.787) 7.513 10.892 ( 1.480 -0.693 -11.401) 11.517 11.082 ( -0.212 -2.694 -14.646) 14.893 11.913 ( -3.854 17.428 5.880) 18.792 12.885 ( -4.946 2.280 -6.495) 8.476 13.019 ( 1.490 7.452 2.306) 7.941 13.588 ( 23.358 -0.866 20.155) 30.864 13.935 ( -5.379 -0.078 2.410) 5.894 14.104 ( -0.376 -2.883 5.032) 5.811 14.350 ( 2.201 -16.945 0.722) 17.102 14.452 ( -0.265 -12.433 -2.898) 12.770 14.670 ( 0.421 -2.265 3.444) 4.143 14.765 ( 8.152 -3.140 8.252) 12.017 15.070 ( 6.844 2.085 -2.781) 7.676 15.478 ( 8.326 -4.363 -8.778) 12.862 17.151 ( -2.320 0.020 6.666) 7.058 17.294 ( -6.212 -0.950 -2.410) 6.730 17.462 ( -4.831 6.337 -2.630) 8.391 17.564 ( -6.237 3.615 -3.145) 7.865 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.059 4.386 4.663) 6.402 1.953 ( 3.957 4.414 -3.988) 7.145 2.030 ( -4.740 5.753 -4.005) 8.462 2.122 ( -1.760 -2.887 -3.295) 4.721 2.412 ( 4.548 -7.342 4.424) 9.704 2.577 ( -0.970 -3.546 1.477) 3.963 2.693 ( -0.735 -0.911 -0.117) 1.177 2.802 ( -1.916 -3.459 0.212) 3.960 2.926 ( -0.885 -3.362 -3.816) 5.162 3.060 ( -2.575 -3.232 -9.890) 10.719 3.217 ( -2.805 -7.011 2.827) 8.063 3.431 ( -7.792 -4.246 -3.149) 9.416 3.754 ( 3.828 -0.872 2.345) 4.573 3.861 ( 0.401 -0.809 -1.124) 1.442 3.921 ( 1.764 9.392 -4.470) 10.549 4.256 ( 16.842 8.604 7.984) 20.529 4.517 ( -12.755 6.029 -16.554) 21.750 4.900 ( -2.938 -7.918 -1.099) 8.517 5.047 ( 1.557 -3.587 2.214) 4.494 5.117 ( 4.276 -5.601 2.737) 7.559 5.342 ( -4.669 2.743 0.721) 5.463 5.359 ( -2.491 7.411 -0.315) 7.825 5.515 ( 3.338 -4.825 -10.449) 11.984 5.675 ( 5.166 14.180 2.011) 15.225 5.969 ( -2.613 6.474 -4.569) 8.343 6.125 ( -11.494 4.961 -5.162) 13.542 6.370 ( -0.742 -5.397 6.267) 8.304 6.423 ( -2.563 -6.188 4.096) 7.851 7.336 ( 11.516 5.360 8.371) 15.213 7.515 ( 3.455 1.017 3.066) 4.730 7.707 ( 14.500 0.244 6.318) 15.818 8.133 ( 8.759 -0.754 2.436) 9.123 8.159 ( 2.626 -0.313 -2.773) 3.832 8.407 ( -0.726 -1.222 -8.553) 8.671 8.711 ( -9.948 -5.729 7.411) 13.664 8.921 ( -10.861 -4.553 0.978) 11.817 9.812 ( 4.474 8.788 6.509) 11.816 9.957 ( -0.179 9.502 1.225) 9.582 10.349 ( 5.499 -2.255 -0.855) 6.004 10.382 ( 3.964 0.075 -1.404) 4.206 10.546 ( -3.237 -1.646 -9.022) 9.726 10.670 ( -5.428 -2.373 0.433) 5.940 10.954 ( 3.752 -4.064 -9.642) 11.116 11.071 ( -1.031 -2.931 -11.098) 11.525 11.939 ( 6.300 19.108 -5.271) 20.798 12.517 ( -18.742 11.336 -20.362) 29.906 13.294 ( 13.492 3.939 14.370) 20.101 13.754 ( -9.248 1.633 10.836) 14.339 14.037 ( 16.269 -5.973 11.816) 20.975 14.176 ( 5.406 -5.890 -1.679) 8.169 14.385 ( 0.033 -13.176 -1.020) 13.216 14.432 ( -2.195 -10.424 -1.659) 10.781 14.716 ( 6.259 -4.903 8.298) 11.492 14.987 ( 10.878 -4.142 9.358) 14.935 15.138 ( 0.275 -0.495 6.028) 6.055 15.529 ( -3.949 -5.290 0.331) 6.610 17.144 ( 2.212 1.462 0.258) 2.664 17.210 ( -1.156 2.696 -6.414) 7.053 17.350 ( -5.524 6.107 -5.927) 10.145 17.414 ( -7.790 3.385 -4.147) 9.452 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -2.388 4.691 -2.694) 5.913 1.897 ( 2.388 4.691 -2.694) 5.913 2.083 ( -3.097 1.833 -4.899) 6.078 2.083 ( 3.097 1.833 -4.899) 6.078 2.509 ( -4.695 -5.134 3.402) 7.744 2.509 ( 4.695 -5.134 3.402) 7.744 2.739 ( -4.995 0.192 4.216) 6.539 2.739 ( 4.995 0.192 4.216) 6.539 2.962 ( -4.600 -4.520 -7.161) 9.637 2.962 ( 4.600 -4.520 -7.161) 9.637 3.272 ( -6.532 -9.562 2.078) 11.765 3.272 ( 6.532 -9.562 2.078) 11.765 3.815 ( -2.722 5.572 -1.350) 6.347 3.815 ( 2.722 5.572 -1.350) 6.347 4.146 ( -15.532 1.050 -12.339) 19.865 4.146 ( 15.532 1.050 -12.339) 19.865 4.681 ( -16.609 -1.495 -4.068) 17.165 4.681 ( 16.609 -1.495 -4.068) 17.165 5.118 ( -4.259 3.518 5.991) 8.149 5.118 ( 4.259 3.517 5.991) 8.149 5.280 ( -5.502 -2.843 0.507) 6.214 5.280 ( 5.502 -2.843 0.507) 6.214 5.751 ( -9.604 4.120 -6.002) 12.052 5.751 ( 9.604 4.120 -6.002) 12.052 5.891 ( -5.275 11.474 -0.157) 12.629 5.891 ( 5.275 11.474 -0.157) 12.629 6.386 ( -1.538 -6.914 6.241) 9.440 6.386 ( 1.538 -6.914 6.241) 9.440 7.504 ( -4.397 3.604 6.399) 8.560 7.504 ( 4.397 3.604 6.399) 8.560 8.015 ( -13.254 -1.293 7.848) 15.457 8.015 ( 13.254 -1.293 7.848) 15.457 8.316 ( -7.620 0.165 -4.399) 8.800 8.316 ( 7.620 0.165 -4.399) 8.800 8.712 ( -7.906 -5.560 -0.890) 9.707 8.712 ( 7.906 -5.560 -0.890) 9.707 9.906 ( -4.060 8.989 3.907) 10.609 9.906 ( 4.060 8.989 3.907) 10.609 10.448 ( -4.205 -3.518 -8.165) 9.835 10.448 ( 4.205 -3.518 -8.165) 9.835 10.528 ( -7.244 -0.029 3.254) 7.942 10.528 ( 7.244 -0.029 3.254) 7.942 11.029 ( -2.989 -3.806 -9.095) 10.302 11.029 ( 2.989 -3.806 -9.095) 10.302 12.162 ( -14.371 16.280 -14.475) 26.098 12.162 ( 14.371 16.280 -14.475) 26.098 13.545 ( -10.663 3.455 12.268) 16.618 13.545 ( 10.663 3.455 12.268) 16.618 14.245 ( -2.608 -11.422 1.393) 11.798 14.245 ( 2.608 -11.422 1.393) 11.798 14.370 ( -1.682 -7.377 -1.936) 7.810 14.370 ( 1.682 -7.377 -1.936) 7.810 14.931 ( -11.237 -3.753 9.616) 15.258 14.931 ( 11.237 -3.753 9.616) 15.258 15.334 ( -13.162 -4.837 10.001) 17.224 15.334 ( 13.162 -4.837 10.001) 17.224 17.230 ( -2.364 4.309 -7.806) 9.224 17.230 ( 2.364 4.309 -7.806) 9.224 17.264 ( -3.136 3.589 -4.104) 6.289 17.264 ( 3.136 3.589 -4.104) 6.289 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.000 8.647 13.256) 15.827 1.849 ( 0.000 7.945 11.824) 14.246 2.068 ( 0.000 4.982 0.453) 5.003 2.162 ( 0.000 -8.707 1.255) 8.797 2.200 ( 0.000 -9.927 0.366) 9.934 2.655 ( 0.000 -11.013 -0.297) 11.017 2.741 ( 0.000 6.090 -0.680) 6.128 2.888 ( 0.000 2.994 -9.655) 10.108 2.916 ( 0.000 0.643 -15.060) 15.074 3.023 ( 0.000 -4.746 -7.022) 8.475 3.268 ( 0.000 -2.373 -8.012) 8.356 3.585 ( 0.000 -6.791 -9.327) 11.537 3.907 ( 0.000 21.093 9.388) 23.087 4.187 ( 0.000 7.177 1.700) 7.375 4.298 ( 0.000 8.190 21.223) 22.748 4.419 ( 0.000 9.119 8.874) 12.725 4.608 ( 0.000 -1.538 6.678) 6.853 4.663 ( 0.000 -5.776 5.996) 8.325 4.866 ( 0.000 -5.705 -8.822) 10.506 4.929 ( 0.000 3.127 4.335) 5.345 5.110 ( 0.000 -5.318 3.997) 6.653 5.488 ( 0.000 -9.865 -6.265) 11.686 5.897 ( 0.000 2.630 -13.862) 14.109 6.025 ( 0.000 -7.267 2.335) 7.633 6.158 ( 0.000 -0.471 -27.226) 27.230 6.346 ( 0.000 -12.026 -2.297) 12.243 6.394 ( 0.000 10.822 -7.188) 12.992 6.438 ( 0.000 12.914 -2.692) 13.192 6.726 ( 0.000 -3.969 0.876) 4.064 6.967 ( 0.000 -9.474 -4.671) 10.563 7.156 ( 0.000 3.727 -1.790) 4.135 7.266 ( 0.000 -1.372 -4.834) 5.025 8.147 ( 0.000 7.207 11.358) 13.452 8.394 ( 0.000 -2.125 7.157) 7.466 9.236 ( 0.000 -3.408 7.709) 8.428 9.266 ( 0.000 -3.269 7.448) 8.134 9.861 ( 0.000 12.951 1.398) 13.026 9.947 ( 0.000 6.574 -2.469) 7.023 10.109 ( 0.000 -0.635 3.372) 3.431 10.194 ( 0.000 -4.484 -8.844) 9.916 10.660 ( 0.000 2.566 -11.570) 11.851 10.772 ( 0.000 6.072 -3.494) 7.006 10.911 ( 0.000 -4.765 -7.655) 9.017 11.011 ( 0.000 -4.098 -12.215) 12.884 12.512 ( 0.000 7.710 17.134) 18.789 12.686 ( 0.000 21.641 19.367) 29.042 12.757 ( 0.000 -2.952 22.446) 22.639 13.616 ( 0.000 -2.836 -9.995) 10.389 13.852 ( 0.000 -21.308 6.074) 22.157 13.929 ( 0.000 -11.092 2.611) 11.395 14.143 ( 0.000 7.079 -22.283) 23.381 14.385 ( 0.000 0.972 -8.871) 8.924 14.562 ( 0.000 -4.275 -5.633) 7.071 14.600 ( 0.000 -9.185 -15.256) 17.808 14.908 ( 0.000 1.891 9.167) 9.360 14.975 ( 0.000 -1.208 6.171) 6.288 17.247 ( 0.000 1.560 9.323) 9.453 17.385 ( 0.000 -4.845 3.508) 5.981 17.697 ( 0.000 5.275 0.773) 5.331 17.768 ( 0.000 1.717 -0.506) 1.790 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 5.864 6.724 12.466) 15.330 1.881 ( 2.741 7.028 9.549) 12.169 2.072 ( 0.524 2.717 -1.302) 3.058 2.174 ( 1.159 -7.180 1.910) 7.520 2.235 ( 2.353 -5.921 1.730) 6.603 2.600 ( -4.209 -3.186 -2.579) 5.875 2.740 ( -3.650 -7.900 7.434) 11.446 2.832 ( -3.805 -0.381 -9.893) 10.606 2.898 ( -0.906 0.679 -12.582) 12.633 3.016 ( -0.031 -2.953 -13.121) 13.450 3.279 ( 1.455 0.701 -7.618) 7.787 3.562 ( -2.886 -6.901 -9.408) 12.019 3.989 ( 6.233 22.181 8.107) 24.424 4.068 ( -12.503 5.627 11.812) 18.097 4.190 ( -11.734 1.484 11.805) 16.711 4.286 ( 0.696 13.765 7.120) 15.513 4.627 ( 2.100 -2.159 3.631) 4.718 4.779 ( 4.960 -4.687 -3.177) 7.528 4.883 ( 0.049 4.641 0.689) 4.692 5.032 ( 10.246 -0.082 3.767) 10.917 5.151 ( 3.238 -8.042 3.055) 9.192 5.371 ( -10.459 -9.162 -9.494) 16.837 5.851 ( -4.742 0.936 -9.382) 10.554 5.897 ( -6.555 -4.834 3.611) 8.909 6.091 ( -9.060 2.432 -18.526) 20.766 6.199 ( -0.765 -3.110 -10.050) 10.548 6.482 ( 1.630 2.534 0.803) 3.118 6.597 ( 0.677 5.309 -4.915) 7.267 6.793 ( 11.432 -0.834 2.115) 11.656 7.047 ( 9.831 -8.040 -3.633) 13.209 7.276 ( 10.277 5.224 -1.709) 11.655 7.467 ( 15.900 -2.838 -6.700) 17.486 8.128 ( -1.601 6.652 9.721) 11.887 8.383 ( -0.941 -2.986 6.195) 6.941 9.143 ( -8.342 -3.010 7.388) 11.543 9.203 ( -5.849 -4.077 5.901) 9.255 9.879 ( 1.747 11.438 2.241) 11.785 10.012 ( 5.201 8.550 -3.175) 10.499 10.140 ( 2.362 -2.445 0.131) 3.402 10.244 ( 4.400 -2.189 -4.365) 6.573 10.654 ( -1.010 2.005 -11.874) 12.084 10.724 ( -2.834 4.010 -1.102) 5.032 10.897 ( -1.751 -3.260 -8.243) 9.035 11.007 ( -0.414 -4.829 -11.466) 12.449 12.437 ( -6.526 18.969 11.060) 22.907 12.695 ( 10.335 4.517 20.182) 23.120 13.062 ( 16.614 1.524 17.478) 24.162 13.536 ( -6.866 7.713 -11.636) 15.557 13.830 ( -0.834 -24.503 3.928) 24.830 13.934 ( 0.079 -7.190 -0.449) 7.205 14.077 ( -0.925 -1.966 -3.944) 4.503 14.326 ( -12.325 -9.617 -6.428) 16.903 14.547 ( 8.576 1.890 -7.317) 11.430 14.659 ( 0.038 -3.201 1.440) 3.511 14.977 ( 6.333 2.900 2.204) 7.306 15.142 ( 12.006 -4.742 -5.518) 14.038 17.221 ( -2.270 1.641 8.256) 8.718 17.344 ( -3.467 -3.974 2.722) 5.935 17.668 ( -2.699 5.266 0.017) 5.917 17.732 ( -3.306 2.034 -1.061) 4.024 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 7.682 2.505 9.404) 12.398 1.947 ( 3.009 4.324 5.841) 7.866 2.092 ( 1.238 1.938 -2.270) 3.231 2.190 ( -0.356 -0.389 2.344) 2.402 2.271 ( 0.792 -0.941 3.237) 3.463 2.511 ( -3.950 -4.341 -1.245) 5.999 2.594 ( -5.391 -10.121 4.228) 12.222 2.738 ( -5.733 -7.557 -5.886) 11.163 2.897 ( -0.102 -0.209 -11.090) 11.093 3.024 ( 0.115 -3.736 -7.277) 8.181 3.310 ( -0.736 2.359 -6.835) 7.268 3.462 ( -6.072 -6.788 -12.376) 15.366 3.770 ( -10.064 5.051 9.519) 14.745 3.909 ( -10.698 -0.993 7.451) 13.074 4.224 ( 8.844 19.371 6.683) 22.319 4.317 ( 1.775 17.209 2.591) 17.493 4.718 ( 6.267 -1.194 -1.587) 6.574 4.857 ( -1.779 -2.510 -11.189) 11.604 4.919 ( 5.055 3.529 3.785) 7.234 5.077 ( -9.311 -3.290 -7.118) 12.173 5.220 ( 3.401 -7.703 -2.588) 8.809 5.276 ( 8.077 -2.825 4.297) 9.575 5.692 ( -9.920 -0.742 -7.311) 12.345 5.841 ( 1.235 -6.530 5.980) 8.940 5.936 ( -4.905 6.824 -7.771) 11.446 6.206 ( 0.312 -5.888 -3.174) 6.696 6.436 ( -4.318 2.946 0.653) 5.268 6.510 ( -6.338 2.119 -0.912) 6.745 7.134 ( 17.621 3.609 4.801) 18.617 7.298 ( 12.061 -4.903 0.669) 13.037 7.537 ( 13.072 8.439 -1.842) 15.668 7.834 ( 17.312 -3.314 -6.613) 18.826 8.100 ( -0.311 3.562 5.199) 6.310 8.350 ( -2.458 -5.665 4.200) 7.468 8.911 ( -13.005 -1.537 5.081) 14.046 9.035 ( -9.733 -5.245 2.749) 11.393 9.931 ( 3.118 9.801 3.032) 10.722 10.125 ( 4.650 10.408 -4.163) 12.136 10.194 ( 2.877 -4.308 -2.223) 5.637 10.341 ( 4.023 1.090 -1.069) 4.303 10.608 ( -3.093 1.504 -10.537) 11.084 10.694 ( -0.671 1.264 0.883) 1.682 10.848 ( -2.026 -3.737 -7.506) 8.627 10.995 ( -0.640 -5.902 -8.979) 10.764 12.364 ( 0.078 25.500 4.550) 25.903 12.945 ( 7.682 2.449 3.533) 8.803 13.208 ( -1.284 9.868 -3.905) 10.690 13.561 ( 10.519 -1.521 9.547) 14.286 13.861 ( 4.752 -20.396 8.002) 22.419 13.936 ( 0.385 -3.909 -0.743) 3.998 14.063 ( -6.474 -6.070 2.786) 9.302 14.149 ( 0.713 -13.530 0.396) 13.555 14.637 ( 0.308 -0.529 5.024) 5.061 14.710 ( 6.640 -2.695 4.881) 8.671 15.122 ( 5.556 3.582 -2.980) 7.251 15.360 ( 7.015 -6.808 -7.349) 12.229 17.175 ( -1.288 2.152 4.645) 5.279 17.268 ( -2.878 -1.657 -0.211) 3.328 17.587 ( -4.936 5.144 -2.048) 7.417 17.634 ( -5.956 2.627 -2.463) 6.960 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.345 2.256 4.434) 4.987 2.033 ( 3.820 2.291 4.428) 6.281 2.086 ( -2.788 2.177 -2.193) 4.162 2.169 ( 0.139 7.035 2.590) 7.498 2.306 ( 3.523 -1.202 3.600) 5.178 2.438 ( -2.822 -8.620 1.611) 9.212 2.601 ( 4.411 -10.790 0.254) 11.660 2.640 ( -2.621 -7.653 -3.254) 8.719 2.900 ( 1.387 0.298 -4.849) 5.052 2.986 ( -3.820 -4.488 -2.199) 6.291 3.169 ( -9.510 1.216 -0.898) 9.630 3.300 ( -10.257 -6.098 -5.894) 13.309 3.748 ( 6.518 1.075 -3.362) 7.413 3.824 ( 4.380 -1.993 -4.872) 6.848 4.163 ( -8.727 11.689 -8.696) 16.983 4.518 ( -2.100 10.472 -5.271) 11.911 4.547 ( -5.793 0.681 -7.247) 9.303 4.856 ( 2.766 5.175 -1.639) 6.093 5.033 ( 7.427 2.580 3.143) 8.467 5.115 ( 5.228 3.052 0.454) 6.070 5.310 ( 1.384 -4.209 -1.865) 4.807 5.425 ( 7.575 -5.467 -1.391) 9.445 5.466 ( -8.773 2.034 -6.172) 10.917 5.842 ( -3.876 -9.894 -4.259) 11.448 5.954 ( 7.274 7.789 8.989) 13.942 6.198 ( -1.202 -4.256 3.884) 5.886 6.324 ( -5.446 2.871 3.722) 7.194 6.371 ( -6.659 2.699 3.562) 8.019 7.456 ( 11.610 4.818 6.087) 13.966 7.547 ( 11.263 1.243 6.388) 13.007 7.754 ( 6.983 6.596 4.580) 10.642 8.109 ( 5.239 -1.950 6.166) 8.323 8.152 ( 4.051 -0.168 -1.883) 4.470 8.313 ( 3.766 -8.803 -7.467) 12.142 8.634 ( -12.358 -0.058 0.864) 12.388 8.810 ( -11.377 -5.983 -1.265) 12.917 10.010 ( 4.380 9.141 1.695) 10.277 10.167 ( -0.705 9.082 -3.579) 9.787 10.275 ( 4.146 -3.738 -6.031) 8.218 10.403 ( 1.733 -0.015 -1.763) 2.472 10.530 ( -3.064 2.022 -6.214) 7.217 10.664 ( -2.946 3.206 3.014) 5.295 10.846 ( 2.146 -6.843 -6.134) 9.437 10.974 ( -1.691 -6.679 -5.986) 9.127 12.434 ( 6.107 28.464 -2.917) 29.257 12.831 ( -11.309 18.654 -14.519) 26.205 13.390 ( 12.591 3.509 7.784) 15.214 13.684 ( 0.592 -16.792 0.746) 16.819 13.895 ( -2.835 -2.785 9.207) 10.028 13.955 ( 0.462 -13.744 -1.443) 13.827 14.060 ( 6.359 -14.542 6.220) 17.047 14.182 ( 0.535 -10.195 2.656) 10.549 14.702 ( 7.574 2.668 9.390) 12.355 14.905 ( 11.870 -4.829 9.446) 15.920 15.145 ( -3.877 2.466 3.514) 5.784 15.392 ( -4.288 -7.604 0.461) 8.742 17.196 ( 3.633 3.099 -0.819) 4.845 17.254 ( 1.829 1.155 -4.468) 4.964 17.467 ( -6.232 4.607 -4.664) 9.045 17.487 ( -7.777 3.166 -3.912) 9.263 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -2.043 4.746 2.885) 5.918 1.998 ( 2.043 4.746 2.885) 5.918 2.135 ( -3.667 3.173 0.275) 4.857 2.135 ( 3.667 3.173 0.275) 4.857 2.386 ( -3.165 -6.072 2.877) 7.427 2.386 ( 3.165 -6.072 2.877) 7.427 2.647 ( -1.765 -8.643 -1.300) 8.917 2.647 ( 1.765 -8.643 -1.300) 8.917 2.928 ( -1.876 1.112 -1.219) 2.498 2.928 ( 1.876 1.112 -1.219) 2.498 3.101 ( -5.874 -6.025 -0.304) 8.420 3.101 ( 5.874 -6.025 -0.304) 8.420 3.920 ( -7.682 4.684 -8.859) 12.627 3.920 ( 7.682 4.684 -8.859) 12.627 4.118 ( -15.677 -4.195 -15.673) 22.561 4.118 ( 15.677 -4.195 -15.673) 22.561 4.776 ( -9.197 11.855 0.334) 15.008 4.776 ( 9.197 11.855 0.334) 15.008 5.207 ( -5.903 2.041 2.659) 6.788 5.207 ( 5.903 2.041 2.659) 6.788 5.263 ( -6.023 1.909 -2.007) 6.629 5.263 ( 6.023 1.909 -2.007) 6.629 5.685 ( -11.269 -9.616 -5.591) 15.834 5.685 ( 11.269 -9.616 -5.591) 15.834 6.123 ( -7.077 8.338 6.903) 12.933 6.123 ( 7.077 8.338 6.903) 12.933 6.269 ( -1.432 -2.913 6.993) 7.710 6.269 ( 1.432 -2.913 6.993) 7.710 7.623 ( -4.098 8.059 7.419) 11.696 7.623 ( 4.098 8.059 7.419) 11.696 7.955 ( -12.130 -5.086 10.430) 16.787 7.955 ( 12.130 -5.086 10.430) 16.787 8.340 ( -9.561 2.608 -6.291) 11.739 8.340 ( 9.561 2.608 -6.291) 11.739 8.571 ( -10.231 -7.626 -4.586) 13.560 8.571 ( 10.231 -7.626 -4.586) 13.560 10.107 ( -4.432 9.294 -1.441) 10.397 10.107 ( 4.432 9.294 -1.441) 10.397 10.361 ( -4.256 -4.868 -8.380) 10.585 10.361 ( 4.256 -4.868 -8.380) 10.585 10.570 ( -5.143 5.195 3.451) 8.084 10.570 ( 5.143 5.195 3.451) 8.084 10.916 ( -3.658 -7.441 -5.237) 9.807 10.916 ( 3.658 -7.441 -5.237) 9.807 12.603 ( -9.739 26.226 -9.585) 29.572 12.603 ( 9.739 26.226 -9.585) 29.572 13.605 ( -7.346 -2.737 4.144) 8.868 13.605 ( 7.346 -2.737 4.144) 8.868 13.915 ( -3.382 -15.791 2.584) 16.355 13.915 ( 3.382 -15.791 2.584) 16.355 14.153 ( -3.155 -11.621 2.039) 12.213 14.153 ( 3.155 -11.621 2.039) 12.213 14.937 ( -11.849 3.853 9.213) 15.496 14.937 ( 11.849 3.853 9.213) 15.496 15.203 ( -12.151 -7.438 8.815) 16.754 15.203 ( 12.151 -7.438 8.815) 16.754 17.318 ( -6.184 3.765 -4.771) 8.671 17.318 ( 6.184 3.765 -4.771) 8.671 17.340 ( -4.245 3.060 -5.467) 7.568 17.340 ( 4.245 3.060 -5.467) 7.568 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.000 -6.611 11.844) 13.564 1.859 ( 0.000 6.611 11.844) 13.564 2.057 ( 0.000 -2.271 -1.433) 2.685 2.057 ( 0.000 2.271 -1.433) 2.685 2.342 ( 0.000 -17.293 8.636) 19.329 2.342 ( 0.000 17.293 8.636) 19.329 2.869 ( 0.000 -6.047 -2.143) 6.415 2.869 ( 0.000 6.047 -2.143) 6.415 2.934 ( 0.000 -1.281 -21.851) 21.888 2.934 ( 0.000 1.281 -21.851) 21.888 3.377 ( 0.000 -10.584 -10.787) 15.112 3.377 ( 0.000 10.584 -10.787) 15.112 4.263 ( 0.000 -8.222 14.492) 16.662 4.263 ( 0.000 8.222 14.492) 16.662 4.466 ( 0.000 -8.073 3.239) 8.698 4.466 ( 0.000 8.073 3.239) 8.698 4.581 ( 0.000 -4.335 5.530) 7.027 4.581 ( 0.000 4.335 5.530) 7.027 4.810 ( 0.000 -4.732 6.818) 8.299 4.810 ( 0.000 4.732 6.818) 8.299 5.249 ( 0.000 -12.194 -0.987) 12.234 5.249 ( 0.000 12.194 -0.987) 12.234 5.937 ( 0.000 -1.799 -9.569) 9.737 5.937 ( 0.000 1.799 -9.569) 9.737 6.178 ( 0.000 -3.619 -15.465) 15.883 6.178 ( 0.000 3.619 -15.465) 15.883 6.576 ( 0.000 -5.310 -1.488) 5.514 6.576 ( 0.000 5.310 -1.488) 5.514 6.744 ( 0.000 -10.873 -3.802) 11.519 6.744 ( 0.000 10.873 -3.802) 11.519 7.223 ( 0.000 -2.758 -3.198) 4.223 7.223 ( 0.000 2.758 -3.198) 4.223 8.298 ( 0.000 -6.849 11.695) 13.553 8.298 ( 0.000 6.849 11.695) 13.553 9.216 ( 0.000 -1.192 5.897) 6.016 9.216 ( 0.000 1.192 5.897) 6.016 10.046 ( 0.000 -0.641 -2.231) 2.321 10.046 ( 0.000 0.641 -2.231) 2.321 10.091 ( 0.000 -4.225 -4.252) 5.994 10.091 ( 0.000 4.225 -4.252) 5.994 10.764 ( 0.000 -7.718 -4.852) 9.116 10.764 ( 0.000 7.718 -4.852) 9.116 10.908 ( 0.000 -6.297 -7.873) 10.082 10.908 ( 0.000 6.297 -7.873) 10.082 12.656 ( 0.000 -6.663 18.441) 19.608 12.656 ( 0.000 6.663 18.441) 19.608 13.215 ( 0.000 -28.015 12.044) 30.494 13.215 ( 0.000 28.015 12.044) 30.494 13.755 ( 0.000 -5.374 -1.748) 5.651 13.755 ( 0.000 5.374 -1.748) 5.651 14.327 ( 0.000 -8.884 -18.884) 20.869 14.327 ( 0.000 8.884 -18.884) 20.869 14.492 ( 0.000 -1.335 -9.298) 9.394 14.492 ( 0.000 1.335 -9.298) 9.394 14.945 ( 0.000 -1.701 7.940) 8.120 14.945 ( 0.000 1.701 7.940) 8.120 17.300 ( 0.000 -3.479 6.780) 7.621 17.300 ( 0.000 3.479 6.780) 7.621 17.770 ( 0.000 -1.712 0.202) 1.724 17.770 ( 0.000 1.712 0.202) 1.724 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 2.134 -5.229 10.816) 12.202 1.883 ( 2.134 5.229 10.816) 12.202 2.097 ( 3.626 -1.090 -1.582) 4.103 2.097 ( 3.626 1.090 -1.582) 4.103 2.348 ( -0.042 -15.237 8.003) 17.211 2.348 ( -0.042 15.237 8.003) 17.211 2.767 ( -8.431 -5.406 -1.877) 10.190 2.767 ( -8.431 5.406 -1.877) 10.190 2.934 ( 0.133 -2.955 -19.139) 19.367 2.934 ( 0.133 2.955 -19.139) 19.367 3.390 ( 0.383 -8.379 -10.847) 13.712 3.390 ( 0.383 8.379 -10.847) 13.712 4.176 ( -14.589 -3.463 14.043) 20.543 4.176 ( -14.589 3.463 14.043) 20.543 4.391 ( 6.199 -12.960 6.929) 15.950 4.391 ( 6.199 12.960 6.929) 15.950 4.635 ( 2.606 -8.651 -4.306) 10.009 4.635 ( 2.606 8.651 -4.306) 10.009 4.950 ( 8.661 -4.221 10.753) 14.438 4.950 ( 8.661 4.221 10.753) 14.438 5.180 ( -5.423 -8.245 -5.297) 11.200 5.180 ( -5.423 8.245 -5.297) 11.200 5.842 ( -6.978 -1.474 -3.916) 8.137 5.842 ( -6.978 1.474 -3.916) 8.137 6.131 ( -2.868 -2.422 -15.041) 15.502 6.131 ( -2.868 2.422 -15.041) 15.502 6.599 ( -2.924 -5.513 0.339) 6.250 6.599 ( -2.924 5.513 0.339) 6.250 6.868 ( 14.102 -8.278 -3.033) 16.631 6.868 ( 14.102 8.278 -3.033) 16.631 7.386 ( 13.540 -5.012 -4.607) 15.155 7.386 ( 13.540 5.012 -4.607) 15.155 8.275 ( -2.134 -7.083 10.750) 13.049 8.275 ( -2.134 7.083 10.750) 13.049 9.136 ( -7.147 -2.008 4.866) 8.876 9.136 ( -7.147 2.008 4.866) 8.876 10.053 ( 0.977 -5.894 -2.121) 6.340 10.053 ( 0.977 5.894 -2.121) 6.340 10.170 ( 6.232 -5.882 -4.095) 9.497 10.170 ( 6.232 5.882 -4.095) 9.497 10.733 ( -2.457 -5.452 -4.473) 7.468 10.733 ( -2.457 5.452 -4.473) 7.468 10.894 ( -1.358 -5.521 -6.894) 8.936 10.894 ( -1.358 5.521 -6.894) 8.936 12.709 ( 4.752 -6.209 13.296) 15.424 12.709 ( 4.752 6.209 13.296) 15.424 13.289 ( 6.191 -22.096 12.048) 25.917 13.289 ( 6.191 22.096 12.048) 25.917 13.744 ( -0.832 -9.584 -3.375) 10.195 13.744 ( -0.832 9.584 -3.375) 10.195 14.150 ( -9.716 -7.027 -8.645) 14.783 14.150 ( -9.716 7.027 -8.645) 14.783 14.597 ( 4.012 -2.837 -3.222) 5.876 14.597 ( 4.012 2.837 -3.222) 5.876 15.048 ( 8.707 -4.206 -1.356) 9.764 15.048 ( 8.707 4.206 -1.356) 9.764 17.271 ( -2.379 -3.176 5.778) 7.009 17.271 ( -2.379 3.176 5.778) 7.009 17.739 ( -2.868 -1.540 -0.429) 3.284 17.739 ( -2.868 1.540 -0.429) 3.284 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 3.022 -1.935 8.992) 9.682 1.939 ( 3.022 1.935 8.992) 9.682 2.195 ( 4.797 -3.017 -1.721) 5.922 2.195 ( 4.797 3.017 -1.721) 5.922 2.329 ( -1.232 -9.888 5.167) 11.225 2.329 ( -1.232 9.888 5.167) 11.225 2.573 ( -8.604 -7.377 -0.254) 11.336 2.573 ( -8.604 7.377 -0.254) 11.336 2.935 ( -0.459 -3.518 -11.946) 12.462 2.935 ( -0.459 3.518 -11.946) 12.462 3.369 ( -3.116 -3.244 -11.648) 12.486 3.369 ( -3.116 3.244 -11.648) 12.486 3.859 ( -12.105 -3.597 9.584) 15.853 3.859 ( -12.105 3.597 9.584) 15.853 4.598 ( 9.268 -13.680 2.907) 16.778 4.598 ( 9.268 13.680 2.907) 16.778 4.646 ( -3.099 -13.887 -4.488) 14.919 4.646 ( -3.099 13.887 -4.488) 14.919 5.033 ( 2.387 -6.021 -7.070) 9.588 5.033 ( 2.387 6.021 -7.070) 9.588 5.165 ( 4.069 -6.620 4.475) 8.967 5.165 ( 4.069 6.620 4.475) 8.967 5.707 ( -5.473 -3.973 -2.009) 7.055 5.707 ( -5.473 3.973 -2.009) 7.055 6.078 ( -1.687 -6.186 -4.012) 7.563 6.078 ( -1.687 6.186 -4.012) 7.563 6.512 ( -4.803 -2.687 1.703) 5.761 6.512 ( -4.803 2.687 1.703) 5.761 7.202 ( 16.122 -3.924 1.979) 16.711 7.202 ( 16.122 3.924 1.979) 16.711 7.720 ( 16.780 -8.036 -6.154) 19.597 7.720 ( 16.780 8.036 -6.154) 19.597 8.208 ( -4.196 -6.977 8.629) 11.863 8.208 ( -4.196 6.977 8.629) 11.863 8.940 ( -10.976 -3.697 1.839) 11.728 8.940 ( -10.976 3.697 1.839) 11.728 10.089 ( 2.434 -6.070 -1.439) 6.696 10.089 ( 2.434 6.070 -1.439) 6.696 10.299 ( 4.911 -5.781 -6.054) 9.705 10.299 ( 4.911 5.781 -6.054) 9.705 10.680 ( -2.228 -5.418 -3.755) 6.958 10.680 ( -2.228 5.418 -3.755) 6.958 10.857 ( -1.968 -6.584 -3.271) 7.611 10.857 ( -1.968 6.584 -3.271) 7.611 12.842 ( 7.635 -16.833 4.216) 18.958 12.842 ( 7.635 16.833 4.216) 18.958 13.393 ( 1.232 -11.437 0.753) 11.528 13.393 ( 1.232 11.437 0.753) 11.528 13.741 ( 1.453 -11.021 2.129) 11.319 13.741 ( 1.453 11.021 2.129) 11.319 14.024 ( -1.675 -2.328 3.682) 4.668 14.024 ( -1.675 2.328 3.682) 4.668 14.656 ( 3.162 -2.201 5.419) 6.649 14.656 ( 3.162 2.201 5.419) 6.649 15.223 ( 5.937 -6.213 -5.440) 10.171 15.223 ( 5.937 6.213 -5.440) 10.171 17.226 ( -1.171 -2.500 2.390) 3.652 17.226 ( -1.171 2.500 2.390) 3.652 17.652 ( -5.352 -1.092 -2.086) 5.847 17.652 ( -5.352 1.092 -2.086) 5.847 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 3.909 -2.146 6.906) 8.220 2.011 ( 3.909 2.146 6.906) 8.220 2.203 ( -4.133 -7.300 3.957) 9.276 2.203 ( -4.133 7.300 3.957) 9.276 2.367 ( 4.290 -10.028 0.115) 10.907 2.367 ( 4.290 10.028 0.115) 10.907 2.457 ( -2.247 -9.603 -1.019) 9.915 2.457 ( -2.247 9.603 -1.019) 9.915 2.918 ( -0.002 -1.648 -3.141) 3.547 2.918 ( -0.002 1.648 -3.141) 3.547 3.216 ( -10.757 -3.052 -6.572) 12.970 3.216 ( -10.757 3.052 -6.572) 12.970 3.783 ( 5.276 -2.046 -4.960) 7.525 3.783 ( 5.276 2.046 -4.960) 7.525 4.371 ( -16.914 -9.241 -12.964) 23.229 4.371 ( -16.914 9.241 -12.964) 23.229 4.851 ( 11.260 -11.250 3.089) 16.214 4.851 ( 11.260 11.250 3.089) 16.214 5.183 ( 0.584 -10.057 -0.081) 10.074 5.183 ( 0.584 10.057 -0.081) 10.074 5.211 ( 8.227 -2.469 -3.637) 9.328 5.211 ( 8.227 2.469 -3.637) 9.328 5.598 ( -5.829 -10.648 -3.491) 12.631 5.598 ( -5.829 10.648 -3.491) 12.631 6.094 ( 3.899 -5.234 6.774) 9.406 6.094 ( 3.899 5.234 6.774) 9.406 6.391 ( -6.911 -1.926 4.849) 8.659 6.391 ( -6.911 1.926 4.849) 8.659 7.526 ( 14.564 -2.614 6.500) 16.161 7.526 ( 14.564 2.614 6.500) 16.161 7.978 ( 0.210 -12.189 8.226) 14.707 7.978 ( 0.210 12.189 8.226) 14.707 8.167 ( 7.226 -2.600 -6.271) 9.915 8.167 ( 7.226 2.600 -6.271) 9.915 8.694 ( -12.160 -4.985 -2.457) 13.370 8.694 ( -12.160 4.985 -2.457) 13.370 10.156 ( 4.013 -5.582 -3.008) 7.504 10.156 ( 4.013 5.582 -3.008) 7.504 10.338 ( -1.669 -5.382 -8.562) 10.250 10.338 ( -1.669 5.382 -8.562) 10.250 10.665 ( 1.532 -8.880 -1.123) 9.080 10.665 ( 1.532 8.880 -1.123) 9.080 10.811 ( -2.735 -8.417 0.239) 8.853 10.811 ( -2.735 8.417 0.239) 8.853 13.015 ( 8.398 -22.087 -2.117) 23.724 13.015 ( 8.398 22.087 -2.117) 23.724 13.327 ( -6.004 -11.717 -8.272) 15.549 13.327 ( -6.004 11.717 -8.272) 15.549 13.812 ( 4.906 -6.211 7.417) 10.847 13.812 ( 4.906 6.211 7.417) 10.847 14.016 ( -1.486 -6.624 6.590) 9.462 14.016 ( -1.486 6.624 6.590) 9.462 14.793 ( 10.449 -5.625 10.003) 15.521 14.793 ( 10.449 5.625 10.003) 15.521 15.243 ( -4.503 -6.614 1.186) 8.089 15.243 ( -4.503 6.614 1.186) 8.089 17.249 ( 3.600 -1.666 -2.379) 4.625 17.249 ( 3.600 1.666 -2.379) 4.625 17.519 ( -7.098 -0.374 -4.026) 8.169 17.519 ( -7.098 0.374 -4.026) 8.169 ======================= Grid point 224 (80/100) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -4.712 -5.706 5.669) 9.322 2.103 ( 4.660 -5.695 5.669) 9.289 2.103 ( -4.660 5.695 5.669) 9.289 2.103 ( 4.712 5.706 5.669) 9.322 2.430 ( -1.640 -10.124 -0.207) 10.258 2.430 ( 1.637 -10.123 -0.207) 10.257 2.430 ( -1.637 10.123 -0.207) 10.257 2.430 ( 1.640 10.124 -0.207) 10.258 2.999 ( -7.186 -4.344 -2.761) 8.840 2.999 ( -2.432 -2.727 -2.761) 4.580 2.999 ( 2.433 2.727 -2.761) 4.580 2.999 ( 7.186 4.344 -2.761) 8.840 4.016 ( -14.707 -4.562 -13.238) 20.307 4.016 ( -11.606 0.643 -13.238) 17.617 4.016 ( 11.606 -0.643 -13.238) 17.617 4.016 ( 14.707 4.562 -13.238) 20.307 5.065 ( -7.779 -12.951 2.362) 15.291 5.065 ( 5.828 -12.692 2.362) 14.165 5.065 ( -5.828 12.692 2.362) 14.165 5.065 ( 7.779 12.951 2.362) 15.291 5.435 ( -9.485 -11.996 -5.139) 16.134 5.435 ( 8.714 -11.849 -5.139) 15.580 5.435 ( -8.714 11.849 -5.139) 15.580 5.435 ( 9.485 11.996 -5.139) 16.134 6.229 ( -6.735 -1.869 8.219) 10.789 6.229 ( -6.216 -1.346 8.219) 10.392 6.229 ( 6.216 1.346 8.219) 10.392 6.229 ( 6.735 1.869 8.219) 10.789 7.807 ( -10.686 -8.682 9.994) 17.013 7.807 ( 1.660 -6.894 9.994) 12.254 7.807 ( -1.660 6.894 9.994) 12.254 7.807 ( 10.686 8.682 9.994) 17.013 8.428 ( -12.763 -5.732 -6.886) 15.594 8.428 ( -5.763 -0.665 -6.886) 9.004 8.428 ( 5.763 0.665 -6.886) 9.004 8.428 ( 12.763 5.732 -6.886) 15.594 10.255 ( -4.758 -5.648 -6.551) 9.872 10.255 ( 3.294 -5.381 -6.551) 9.095 10.255 ( -3.294 5.381 -6.551) 9.095 10.255 ( 4.758 5.648 -6.551) 9.872 10.735 ( -4.132 -9.763 0.621) 10.620 10.735 ( 4.034 -9.753 0.621) 10.573 10.735 ( -4.034 9.753 0.621) 10.573 10.735 ( 4.132 9.763 0.621) 10.620 13.183 ( -5.442 -29.297 -6.066) 30.409 13.183 ( 4.392 -29.252 -6.066) 30.196 13.183 ( -4.392 29.252 -6.066) 30.196 13.183 ( 5.442 29.297 -6.066) 30.409 13.932 ( -5.414 -9.486 6.069) 12.495 13.932 ( 4.594 -9.377 6.069) 12.077 13.932 ( -4.594 9.377 6.069) 12.077 13.932 ( 5.414 9.486 6.069) 12.495 15.053 ( -12.212 -6.925 8.475) 16.399 15.053 ( 2.540 -3.505 8.475) 9.517 15.053 ( -2.540 3.505 8.475) 9.517 15.053 ( 12.213 6.925 8.475) 16.399 17.366 ( -6.998 -0.638 -4.772) 8.494 17.366 ( -6.982 0.595 -4.772) 8.478 17.366 ( 6.982 -0.595 -4.772) 8.478 17.366 ( 6.998 0.638 -4.772) 8.494 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 0.000 15.171) 15.171 1.985 ( 0.000 0.000 21.568) 21.568 2.091 ( 0.000 0.000 -12.134) 12.134 2.204 ( 0.000 0.000 4.428) 4.428 2.371 ( 0.000 0.000 -15.387) 15.387 2.406 ( 0.000 0.000 -17.323) 17.323 2.505 ( 0.000 0.000 -0.498) 0.498 2.517 ( 0.000 0.000 -2.300) 2.300 3.133 ( 0.000 0.000 7.996) 7.996 3.271 ( 0.000 0.000 -4.874) 4.874 3.349 ( 0.000 0.000 -1.194) 1.194 3.355 ( 0.000 0.000 -1.828) 1.828 3.880 ( 0.000 0.000 20.077) 20.077 4.145 ( 0.000 0.000 -9.487) 9.487 4.321 ( 0.000 0.000 11.994) 11.994 4.491 ( 0.000 0.000 -4.526) 4.526 4.767 ( 0.000 0.000 27.263) 27.263 4.801 ( 0.000 0.000 -4.227) 4.227 4.810 ( 0.000 0.000 -4.715) 4.715 4.951 ( 0.000 0.000 14.533) 14.533 5.244 ( 0.000 0.000 -13.614) 13.614 5.388 ( 0.000 0.000 -20.632) 20.632 5.602 ( 0.000 0.000 -3.992) 3.992 5.793 ( 0.000 0.000 -11.492) 11.492 5.848 ( 0.000 0.000 -2.246) 2.246 5.877 ( 0.000 0.000 -4.521) 4.521 6.679 ( 0.000 0.000 13.720) 13.720 6.793 ( 0.000 0.000 0.320) 0.320 6.804 ( 0.000 0.000 -1.005) 1.005 6.910 ( 0.000 0.000 -9.951) 9.951 7.086 ( 0.000 0.000 3.660) 3.660 7.180 ( 0.000 0.000 -5.620) 5.620 8.148 ( 0.000 0.000 7.908) 7.908 8.288 ( 0.000 0.000 -6.194) 6.194 9.558 ( 0.000 0.000 8.032) 8.032 9.608 ( 0.000 0.000 4.899) 4.899 9.613 ( 0.000 0.000 4.658) 4.658 9.681 ( 0.000 0.000 -2.568) 2.568 10.191 ( 0.000 0.000 -0.962) 0.962 10.298 ( 0.000 0.000 14.143) 14.143 10.321 ( 0.000 0.000 -12.311) 12.311 10.600 ( 0.000 0.000 -16.232) 16.232 10.682 ( 0.000 0.000 2.745) 2.745 10.815 ( 0.000 0.000 -10.918) 10.918 12.514 ( 0.000 0.000 23.891) 23.891 13.020 ( 0.000 0.000 -27.007) 27.007 13.062 ( 0.000 0.000 29.506) 29.506 13.329 ( 0.000 0.000 26.303) 26.303 13.597 ( 0.000 0.000 -24.539) 24.539 13.831 ( 0.000 0.000 -23.985) 23.985 14.537 ( 0.000 0.000 2.857) 2.857 14.555 ( 0.000 0.000 0.519) 0.519 14.674 ( 0.000 0.000 2.201) 2.201 14.726 ( 0.000 0.000 -2.924) 2.924 14.964 ( 0.000 0.000 4.454) 4.454 15.012 ( 0.000 0.000 -0.267) 0.267 17.463 ( 0.000 0.000 8.265) 8.265 17.508 ( 0.000 0.000 0.999) 0.999 17.535 ( 0.000 0.000 -1.738) 1.738 17.586 ( 0.000 0.000 -4.563) 4.563 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 2.838 0.000 12.121) 12.449 1.988 ( -0.128 0.000 15.721) 15.721 2.075 ( -2.101 0.000 -9.808) 10.031 2.146 ( -2.526 0.000 -2.340) 3.443 2.453 ( 4.910 0.000 -5.764) 7.572 2.515 ( 0.321 0.000 -0.426) 0.534 2.540 ( 10.450 0.000 -13.795) 17.306 2.542 ( 3.517 0.000 -2.453) 4.287 3.081 ( -4.138 0.000 5.386) 6.793 3.168 ( -8.611 0.000 -2.791) 9.052 3.357 ( 0.947 0.000 0.580) 1.110 3.396 ( 2.506 0.000 -3.284) 4.131 3.858 ( -1.592 0.000 14.164) 14.253 4.049 ( -8.171 0.000 -7.540) 11.119 4.178 ( -10.405 0.000 15.390) 18.577 4.445 ( -4.852 0.000 -11.060) 12.078 4.668 ( -7.352 0.000 27.073) 28.053 4.837 ( 3.391 0.000 -3.945) 5.202 4.881 ( 5.931 0.000 -0.923) 6.002 5.032 ( 6.455 0.000 12.816) 14.350 5.249 ( 0.058 0.000 -8.784) 8.784 5.373 ( -3.367 0.000 -33.139) 33.310 5.628 ( 4.295 0.000 11.048) 11.853 5.698 ( -11.225 0.000 0.600) 11.241 5.778 ( -7.689 0.000 -7.191) 10.527 5.881 ( 6.092 0.000 -13.620) 14.920 6.688 ( -6.188 0.000 2.259) 6.587 6.729 ( -6.250 0.000 -2.147) 6.608 6.859 ( 14.254 0.000 11.919) 18.581 7.060 ( 12.006 0.000 -8.514) 14.719 7.238 ( 11.782 0.000 4.950) 12.779 7.360 ( 14.243 0.000 -7.408) 16.054 8.132 ( -0.948 0.000 8.263) 8.317 8.286 ( -0.083 0.000 -7.054) 7.054 9.482 ( -7.459 0.000 6.801) 10.094 9.518 ( -8.044 0.000 4.609) 9.271 9.660 ( 4.168 0.000 4.827) 6.378 9.723 ( 3.667 0.000 -1.897) 4.129 10.227 ( 2.930 0.000 0.748) 3.024 10.309 ( 1.321 0.000 12.513) 12.583 10.370 ( 3.356 0.000 -11.911) 12.375 10.587 ( -1.000 0.000 -15.215) 15.247 10.694 ( 1.906 0.000 2.123) 2.853 10.821 ( 0.722 0.000 -10.763) 10.788 12.301 ( -15.784 0.000 22.499) 27.483 12.784 ( -18.092 0.000 -26.556) 32.133 13.159 ( 8.439 0.000 27.191) 28.471 13.581 ( 19.326 0.000 25.345) 31.872 13.644 ( 4.086 0.000 -21.786) 22.166 14.046 ( 15.443 0.000 -21.806) 26.720 14.470 ( -4.440 0.000 7.780) 8.958 14.576 ( -0.134 0.000 -3.061) 3.064 14.696 ( 2.132 0.000 2.720) 3.456 14.761 ( 3.589 0.000 -3.897) 5.297 14.974 ( 2.690 0.000 8.747) 9.152 15.113 ( 8.103 0.000 -6.216) 10.213 17.421 ( -3.804 0.000 8.087) 8.937 17.455 ( -4.909 0.000 -0.108) 4.910 17.462 ( -6.580 0.000 -0.831) 6.633 17.546 ( -3.742 0.000 -4.813) 6.097 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -1.973 0.000 4.056) 4.510 1.977 ( -0.808 0.000 8.634) 8.672 1.984 ( -6.428 0.000 -6.127) 8.880 2.104 ( -2.124 0.000 -5.460) 5.858 2.541 ( 2.953 0.000 4.528) 5.406 2.555 ( 4.424 0.000 5.132) 6.776 2.661 ( 7.335 0.000 -4.353) 8.529 2.727 ( 5.408 0.000 -12.712) 13.815 2.977 ( -6.952 0.000 0.621) 6.979 2.997 ( -4.679 0.000 -1.289) 4.853 3.358 ( -1.470 0.000 1.989) 2.473 3.421 ( -0.676 0.000 -4.088) 4.144 3.841 ( 0.040 0.000 2.222) 2.222 3.868 ( -6.710 0.000 -1.341) 6.843 3.993 ( -5.675 0.000 14.826) 15.875 4.307 ( -7.664 0.000 -16.677) 18.354 4.533 ( -4.442 0.000 29.524) 29.856 4.937 ( 5.009 0.000 -8.717) 10.054 5.042 ( 9.027 0.000 -0.743) 9.057 5.179 ( 6.645 0.000 8.079) 10.461 5.235 ( -0.929 0.000 1.040) 1.394 5.261 ( -5.035 0.000 -23.449) 23.983 5.464 ( -10.053 0.000 3.746) 10.728 5.632 ( -5.400 0.000 -11.189) 12.424 5.728 ( 2.972 0.000 10.635) 11.042 5.975 ( 1.294 0.000 -13.615) 13.676 6.576 ( -3.919 0.000 3.077) 4.982 6.607 ( -4.418 0.000 -0.171) 4.422 7.178 ( 14.648 0.000 9.385) 17.396 7.324 ( 11.728 0.000 -5.512) 12.959 7.521 ( 14.742 0.000 7.323) 16.460 7.696 ( 16.432 0.000 -10.459) 19.478 8.137 ( 1.769 0.000 7.621) 7.823 8.290 ( 0.483 0.000 -7.501) 7.516 9.253 ( -13.533 0.000 6.968) 15.222 9.296 ( -12.536 0.000 2.714) 12.826 9.763 ( 4.767 0.000 5.091) 6.975 9.813 ( 4.318 0.000 -0.511) 4.348 10.281 ( 1.645 0.000 1.634) 2.319 10.365 ( 4.182 0.000 9.058) 9.977 10.414 ( 0.483 0.000 -10.142) 10.153 10.580 ( 0.969 0.000 -12.230) 12.269 10.777 ( 5.347 0.000 -0.989) 5.437 10.853 ( 2.468 0.000 -8.631) 8.977 11.966 ( -14.848 0.000 17.622) 23.043 12.375 ( -19.692 0.000 -23.624) 30.755 13.371 ( 10.722 0.000 21.774) 24.270 13.746 ( 4.937 0.000 -15.975) 16.720 14.002 ( 18.743 0.000 19.311) 26.912 14.327 ( 9.457 0.000 -13.592) 16.558 14.365 ( -5.075 0.000 11.848) 12.889 14.539 ( -3.302 0.000 -5.721) 6.606 14.776 ( 5.965 0.000 4.956) 7.755 14.894 ( 9.059 0.000 -7.043) 11.474 15.099 ( 9.151 0.000 12.524) 15.511 15.323 ( 10.919 0.000 -10.803) 15.360 17.282 ( -9.748 0.000 0.561) 9.764 17.314 ( -5.954 0.000 7.092) 9.260 17.316 ( -7.939 0.000 -2.754) 8.403 17.434 ( -6.587 0.000 -5.242) 8.418 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -5.614 0.000 -1.054) 5.712 1.830 ( -7.234 0.000 -4.726) 8.641 1.963 ( -0.168 0.000 3.076) 3.080 2.045 ( -3.260 0.000 -5.362) 6.275 2.593 ( 2.465 0.000 6.344) 6.806 2.699 ( 8.117 0.000 8.509) 11.760 2.730 ( -3.433 0.000 -3.667) 5.023 2.811 ( 5.588 0.000 -1.689) 5.837 2.890 ( -2.316 0.000 -5.776) 6.223 2.904 ( -3.696 0.000 -4.076) 5.502 3.307 ( -2.240 0.000 0.788) 2.374 3.375 ( -3.210 0.000 -5.124) 6.046 3.796 ( 0.866 0.000 5.085) 5.158 3.878 ( 1.320 0.000 -2.668) 2.977 3.945 ( 0.470 0.000 7.162) 7.177 4.141 ( -7.788 0.000 -12.770) 14.958 4.504 ( 2.332 0.000 19.512) 19.651 4.885 ( -10.110 0.000 -18.500) 21.082 5.196 ( -0.818 0.000 5.933) 5.989 5.259 ( 11.661 0.000 1.762) 11.794 5.288 ( -5.226 0.000 0.439) 5.244 5.329 ( 11.076 0.000 -4.121) 11.817 5.339 ( 5.722 0.000 6.804) 8.890 5.544 ( -3.608 0.000 -10.110) 10.735 5.706 ( -4.991 0.000 6.916) 8.529 5.893 ( -8.887 0.000 -10.675) 13.889 6.540 ( 0.193 0.000 3.174) 3.180 6.558 ( -0.607 0.000 1.358) 1.487 7.437 ( 9.425 0.000 6.239) 11.303 7.515 ( 5.875 0.000 -1.712) 6.119 7.842 ( 15.120 0.000 7.508) 16.881 8.004 ( 11.595 0.000 -9.125) 14.755 8.200 ( 3.649 0.000 4.022) 5.430 8.295 ( -0.393 0.000 -5.375) 5.390 8.960 ( -12.673 0.000 7.354) 14.652 9.020 ( -12.762 0.000 1.046) 12.805 9.838 ( 2.488 0.000 4.342) 5.004 9.879 ( 1.460 0.000 -0.044) 1.461 10.304 ( 1.123 0.000 -0.736) 1.343 10.393 ( -2.216 0.000 -8.745) 9.022 10.484 ( 6.809 0.000 7.425) 10.074 10.628 ( 2.441 0.000 -6.278) 6.736 10.881 ( 3.905 0.000 -2.739) 4.770 10.910 ( 2.301 0.000 -5.712) 6.158 11.723 ( -6.975 0.000 7.500) 10.242 11.987 ( -16.492 0.000 -18.347) 24.670 13.583 ( 9.201 0.000 15.940) 18.405 13.815 ( 0.529 0.000 -5.903) 5.926 14.289 ( -1.161 0.000 7.823) 7.909 14.306 ( 9.615 0.000 8.521) 12.848 14.437 ( 1.836 0.000 -5.286) 5.596 14.445 ( -5.373 0.000 -6.449) 8.394 14.953 ( 10.043 0.000 7.833) 12.736 15.085 ( 7.009 0.000 -5.022) 8.622 15.334 ( 11.950 0.000 11.888) 16.856 15.519 ( 6.250 0.000 -6.840) 9.265 17.094 ( -6.967 0.000 -0.361) 6.976 17.144 ( -7.673 0.000 -5.062) 9.193 17.200 ( -3.965 0.000 3.959) 5.603 17.286 ( -6.847 0.000 -4.672) 8.289 ======================= Grid point 256 (85/100) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -0.874 0.000 -3.221) 3.338 1.734 ( 0.874 0.000 -3.221) 3.338 1.983 ( -2.214 0.000 -2.470) 3.317 1.983 ( 2.214 0.000 -2.470) 3.317 2.653 ( -3.352 0.000 3.701) 4.993 2.653 ( 3.352 0.000 3.701) 4.993 2.837 ( -3.591 0.000 5.682) 6.722 2.837 ( 3.591 0.000 5.682) 6.722 2.862 ( -0.489 0.000 -6.722) 6.740 2.862 ( 0.489 0.000 -6.722) 6.740 3.308 ( -2.420 0.000 -4.430) 5.048 3.308 ( 2.420 0.000 -4.430) 5.048 3.856 ( -3.250 0.000 4.080) 5.217 3.856 ( 3.250 0.000 4.080) 5.217 4.001 ( -4.932 0.000 -2.987) 5.766 4.001 ( 4.932 0.000 -2.987) 5.766 4.646 ( -10.522 0.000 -3.023) 10.948 4.646 ( 10.522 0.000 -3.023) 10.948 5.207 ( -2.077 0.000 5.416) 5.801 5.207 ( 2.077 0.000 5.416) 5.801 5.458 ( -4.859 0.000 -3.881) 6.218 5.458 ( 4.859 0.000 -3.881) 6.218 5.488 ( -7.010 0.000 4.713) 8.447 5.488 ( 7.010 0.000 4.713) 8.447 5.656 ( -10.296 0.000 -6.561) 12.209 5.656 ( 10.296 0.000 -6.561) 12.209 6.553 ( -0.466 0.000 2.407) 2.451 6.553 ( 0.466 0.000 2.407) 2.451 7.558 ( -1.904 0.000 2.400) 3.064 7.558 ( 1.904 0.000 2.400) 3.064 8.090 ( -5.553 0.000 1.080) 5.657 8.090 ( 5.553 0.000 1.080) 5.657 8.265 ( -2.339 0.000 -1.448) 2.751 8.265 ( 2.339 0.000 -1.448) 2.751 8.830 ( -2.633 0.000 2.995) 3.988 8.830 ( 2.633 0.000 2.995) 3.988 9.877 ( -1.240 0.000 1.820) 2.203 9.877 ( 1.240 0.000 1.820) 2.203 10.340 ( -2.325 0.000 -5.115) 5.618 10.340 ( 2.325 0.000 -5.115) 5.618 10.615 ( -4.293 0.000 3.263) 5.392 10.615 ( 4.293 0.000 3.263) 5.392 10.930 ( -0.666 0.000 -3.920) 3.976 10.930 ( 0.666 0.000 -3.920) 3.976 11.723 ( -7.264 0.000 -7.956) 10.773 11.723 ( 7.264 0.000 -7.956) 10.773 13.749 ( -6.202 0.000 8.156) 10.246 13.749 ( 6.202 0.000 8.156) 10.246 14.332 ( -4.606 0.000 -2.702) 5.340 14.332 ( 4.606 0.000 -2.702) 5.340 14.427 ( -2.723 0.000 0.469) 2.763 14.427 ( 2.723 0.000 0.469) 2.763 15.121 ( -4.044 0.000 3.420) 5.296 15.121 ( 4.045 0.000 3.420) 5.296 15.533 ( -5.298 0.000 4.050) 6.669 15.533 ( 5.298 0.000 4.050) 6.669 17.034 ( -1.734 0.000 -4.094) 4.446 17.034 ( 1.734 0.000 -4.094) 4.446 17.181 ( -2.407 0.000 -1.257) 2.715 17.181 ( 2.407 0.000 -1.257) 2.715 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.000 -1.982 8.697) 8.920 1.931 ( 0.000 -7.455 -6.728) 10.042 2.048 ( 0.000 6.047 19.177) 20.108 2.327 ( 0.000 4.601 3.531) 5.800 2.365 ( 0.000 -0.012 -1.470) 1.470 2.423 ( 0.000 3.631 -16.992) 17.375 2.546 ( 0.000 3.208 -2.961) 4.366 2.595 ( 0.000 2.674 -9.080) 9.466 2.987 ( 0.000 -10.150 6.103) 11.843 3.135 ( 0.000 -9.888 -7.694) 12.529 3.387 ( 0.000 -1.895 2.945) 3.502 3.458 ( 0.000 4.664 -4.095) 6.207 3.839 ( 0.000 1.338 14.928) 14.987 4.062 ( 0.000 -4.343 -8.888) 9.892 4.425 ( 0.000 7.852 9.959) 12.682 4.574 ( 0.000 5.694 -4.905) 7.515 4.760 ( 0.000 1.649 31.806) 31.849 4.792 ( 0.000 -0.685 -2.948) 3.027 4.811 ( 0.000 0.949 -4.144) 4.251 4.952 ( 0.000 0.192 16.123) 16.125 5.277 ( 0.000 2.026 -15.946) 16.074 5.373 ( 0.000 -1.317 -10.414) 10.497 5.571 ( 0.000 -2.122 -13.581) 13.746 5.723 ( 0.000 -4.711 -10.851) 11.830 6.022 ( 0.000 10.995 -2.638) 11.307 6.025 ( 0.000 13.051 -3.231) 13.445 6.478 ( 0.000 -12.809 7.505) 14.845 6.582 ( 0.000 -14.814 -3.661) 15.260 6.856 ( 0.000 0.142 5.203) 5.205 6.973 ( 0.000 -0.431 -6.396) 6.411 7.099 ( 0.000 1.744 2.571) 3.107 7.175 ( 0.000 0.152 -4.981) 4.983 8.203 ( 0.000 5.250 8.259) 9.786 8.340 ( 0.000 4.635 -5.363) 7.089 9.494 ( 0.000 -5.295 6.042) 8.033 9.516 ( 0.000 -7.146 4.859) 8.642 9.704 ( 0.000 7.719 3.839) 8.621 9.764 ( 0.000 6.455 -2.397) 6.886 10.160 ( 0.000 -2.815 -0.806) 2.928 10.222 ( 0.000 -4.342 -0.708) 4.399 10.429 ( 0.000 6.993 2.596) 7.460 10.654 ( 0.000 4.330 -14.713) 15.337 10.693 ( 0.000 1.360 2.617) 2.949 10.817 ( 0.000 0.350 -10.115) 10.121 12.620 ( 0.000 9.621 21.697) 23.735 13.056 ( 0.000 0.126 28.677) 28.677 13.066 ( 0.000 2.885 -20.343) 20.547 13.332 ( 0.000 1.634 17.686) 17.761 13.623 ( 0.000 2.565 -21.270) 21.424 13.830 ( 0.000 -0.211 -22.036) 22.037 14.422 ( 0.000 -14.704 6.759) 16.183 14.474 ( 0.000 -6.164 5.610) 8.334 14.572 ( 0.000 -6.053 -3.796) 7.144 14.575 ( 0.000 -11.911 -8.085) 14.396 15.011 ( 0.000 2.698 4.658) 5.383 15.046 ( 0.000 1.908 0.959) 2.135 17.402 ( 0.000 -2.509 5.442) 5.993 17.470 ( 0.000 -3.417 -2.042) 3.980 17.609 ( 0.000 6.140 2.736) 6.722 17.668 ( 0.000 4.833 -2.837) 5.604 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.12 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 1.970 -2.025 5.657) 6.323 1.933 ( 0.286 -5.572 -6.957) 8.918 2.054 ( 1.025 5.079 16.106) 16.919 2.273 ( -2.733 5.457 -3.058) 6.826 2.437 ( 4.659 0.475 5.642) 7.333 2.496 ( 4.125 -1.768 -4.187) 6.138 2.572 ( 0.139 1.186 -8.894) 8.974 2.651 ( 6.962 6.296 -9.967) 13.691 2.944 ( -3.382 -9.428 3.895) 10.747 3.041 ( -7.919 -8.933 -4.778) 12.858 3.386 ( -0.450 -3.078 3.711) 4.843 3.479 ( 0.712 1.882 -5.569) 5.921 3.837 ( 0.155 3.757 10.128) 10.803 3.994 ( -5.362 -0.811 -6.912) 8.786 4.258 ( -12.137 6.467 14.877) 20.260 4.520 ( -5.448 5.516 -10.653) 13.175 4.676 ( -6.430 1.969 28.023) 28.818 4.780 ( 1.591 -4.077 -1.458) 4.613 4.820 ( 1.815 -3.317 -1.008) 3.914 5.121 ( 11.293 5.535 11.839) 17.272 5.222 ( -8.009 -3.036 -16.999) 19.035 5.405 ( 3.070 0.731 -9.369) 9.886 5.548 ( -0.513 -1.353 -6.130) 6.298 5.693 ( -5.758 -2.053 -9.418) 11.228 5.929 ( -4.326 9.576 0.038) 10.508 5.993 ( 1.228 8.535 -6.550) 10.829 6.561 ( 0.651 -8.262 1.882) 8.499 6.594 ( -1.003 -9.645 -1.032) 9.752 6.910 ( 9.147 1.103 7.744) 12.035 7.055 ( 10.089 -1.687 -6.542) 12.142 7.245 ( 11.318 0.834 4.104) 12.068 7.355 ( 14.034 -0.337 -7.005) 15.689 8.183 ( -1.440 4.884 8.538) 9.941 8.330 ( -0.700 4.052 -6.051) 7.316 9.414 ( -7.913 -5.908 5.380) 11.246 9.428 ( -7.695 -7.115 4.631) 11.458 9.747 ( 3.866 7.477 3.955) 9.301 9.806 ( 3.601 6.637 -2.236) 7.875 10.195 ( 2.928 -2.951 1.123) 4.306 10.280 ( 4.313 -3.323 -0.698) 5.489 10.429 ( -0.103 5.779 0.948) 5.857 10.637 ( -1.237 4.087 -13.139) 13.815 10.698 ( 1.052 0.777 1.818) 2.240 10.820 ( 0.479 0.078 -10.064) 10.075 12.417 ( -14.532 10.769 20.405) 27.267 12.850 ( -16.095 5.709 -22.426) 28.188 13.163 ( 8.179 0.871 24.426) 25.773 13.539 ( 13.864 -2.665 8.423) 16.440 13.689 ( 8.420 3.228 -5.624) 10.628 14.039 ( 14.175 -1.030 -19.220) 23.904 14.408 ( -1.037 -14.969 2.835) 15.270 14.424 ( -5.055 -5.407 3.788) 8.315 14.565 ( 4.795 -11.525 1.712) 12.599 14.671 ( 3.980 -5.109 -6.327) 9.054 15.029 ( 2.597 2.834 6.091) 7.203 15.120 ( 6.514 0.033 -3.765) 7.524 17.358 ( -4.015 -2.341 4.803) 6.684 17.413 ( -5.213 -2.746 -1.434) 6.064 17.564 ( -4.183 6.390 2.233) 7.958 17.620 ( -4.341 4.932 -3.008) 7.226 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 1.093 -0.426 1.162) 1.651 1.936 ( -0.399 -1.478 -7.521) 7.675 2.077 ( -0.587 6.311 10.648) 12.392 2.198 ( -5.004 6.068 -1.623) 8.031 2.506 ( 2.098 -2.554 9.739) 10.285 2.562 ( 2.169 -1.133 0.036) 2.447 2.616 ( 5.191 -3.444 -5.098) 8.050 2.769 ( 1.134 -1.065 -10.701) 10.813 2.878 ( -3.437 -5.324 -0.669) 6.372 2.895 ( -2.195 -5.405 -2.650) 6.408 3.351 ( -3.066 -4.383 2.996) 6.131 3.442 ( -3.917 -4.102 -6.240) 8.432 3.823 ( -2.494 3.210 4.715) 6.226 3.890 ( -3.941 6.241 -2.719) 7.866 4.056 ( -5.467 5.229 13.758) 15.701 4.370 ( -8.066 4.723 -16.409) 18.885 4.530 ( -5.660 -0.354 24.991) 25.626 4.868 ( 4.606 -5.430 -0.261) 7.126 4.938 ( 7.145 -2.395 -4.332) 8.692 5.016 ( -5.559 -9.362 -13.105) 17.038 5.331 ( 5.705 3.481 5.323) 8.544 5.409 ( -1.187 0.597 3.417) 3.666 5.479 ( -7.368 4.703 -5.164) 10.153 5.610 ( 1.270 4.788 -7.566) 9.043 5.916 ( 1.761 9.752 3.177) 10.407 6.055 ( 1.966 6.863 -9.634) 11.991 6.504 ( -3.432 -5.249 2.434) 6.727 6.530 ( -3.756 -6.299 -0.256) 7.338 7.199 ( 15.030 1.600 7.445) 16.849 7.318 ( 12.622 -0.800 -4.637) 13.470 7.521 ( 14.531 0.100 6.816) 16.051 7.688 ( 16.543 -0.818 -10.155) 19.428 8.168 ( 0.383 3.071 8.032) 8.608 8.317 ( -0.582 2.479 -6.592) 7.067 9.174 ( -13.920 -7.004 6.531) 16.896 9.217 ( -12.173 -6.621 2.001) 14.001 9.842 ( 4.376 6.701 4.298) 9.084 9.895 ( 4.262 6.785 -1.535) 8.158 10.249 ( 1.638 -2.925 1.691) 3.755 10.360 ( 2.464 -3.060 -3.870) 5.515 10.430 ( 0.843 4.053 2.792) 4.994 10.623 ( 0.558 3.446 -10.937) 11.480 10.750 ( 3.344 -1.681 0.703) 3.809 10.846 ( 2.052 -0.359 -8.671) 8.917 12.124 ( -12.145 14.664 15.308) 24.431 12.486 ( -17.216 10.476 -21.198) 29.249 13.376 ( 10.968 0.349 20.278) 23.057 13.723 ( 5.921 -2.696 -13.867) 15.318 13.996 ( 15.365 -0.746 16.452) 22.524 14.270 ( 6.272 -6.614 -9.613) 13.247 14.303 ( -5.120 -6.808 8.458) 12.004 14.405 ( -0.107 -12.389 -1.998) 12.549 14.708 ( 6.504 -4.547 2.164) 8.226 14.784 ( 9.788 -6.386 -4.434) 12.499 15.134 ( 7.314 1.203 7.840) 10.789 15.301 ( 9.725 -2.424 -8.954) 13.440 17.248 ( -5.966 -1.362 2.808) 6.733 17.272 ( -7.354 -0.529 -0.439) 7.386 17.442 ( -7.127 6.820 1.086) 9.925 17.496 ( -7.209 4.817 -3.635) 9.402 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.38 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.201 5.300 -1.467) 5.503 1.903 ( -2.827 6.373 -4.205) 8.142 2.011 ( -3.426 4.631 3.262) 6.620 2.076 ( -5.344 3.900 -2.617) 7.115 2.542 ( 1.860 -4.301 7.948) 9.226 2.651 ( -0.162 -5.617 4.138) 6.979 2.684 ( 4.993 -3.517 -1.599) 6.313 2.764 ( -0.235 -7.256 -3.749) 8.171 2.850 ( 0.952 -2.746 -3.139) 4.278 2.883 ( 0.557 0.755 -6.063) 6.135 3.278 ( -2.782 -4.280 3.691) 6.300 3.356 ( -3.963 -3.691 -4.051) 6.763 3.804 ( 1.904 -4.074 0.579) 4.534 3.828 ( -1.162 3.345 -1.790) 3.967 3.950 ( -6.124 -0.241 8.478) 10.461 4.177 ( -10.531 2.422 -13.792) 17.521 4.505 ( 3.279 2.039 12.849) 13.416 4.765 ( -7.325 -6.158 -12.112) 15.436 5.107 ( 9.950 -3.474 3.927) 11.247 5.153 ( 5.222 -2.316 0.398) 5.727 5.299 ( -4.384 1.785 -1.084) 4.856 5.336 ( 0.879 -4.930 -5.639) 7.541 5.506 ( 3.569 6.751 9.076) 11.861 5.662 ( 3.099 11.575 -5.114) 13.028 5.920 ( -2.291 11.456 1.847) 11.828 6.014 ( -5.460 12.513 -6.164) 14.979 6.465 ( -0.207 -6.099 3.058) 6.825 6.482 ( -0.767 -6.488 1.337) 6.669 7.469 ( 9.851 3.235 5.133) 11.570 7.532 ( 7.033 1.919 -1.271) 7.400 7.842 ( 15.518 -0.027 7.707) 17.327 8.009 ( 12.711 0.337 -9.238) 15.717 8.200 ( 2.367 0.048 4.402) 4.998 8.296 ( -1.658 0.054 -4.992) 5.260 8.872 ( -13.351 -7.929 7.073) 17.063 8.942 ( -13.108 -6.922 -0.210) 14.825 9.912 ( 2.425 6.259 3.633) 7.632 9.957 ( 1.247 6.555 -1.097) 6.762 10.270 ( 0.836 -3.030 -0.799) 3.243 10.352 ( -2.340 -3.455 -8.511) 9.479 10.507 ( 5.972 2.078 8.307) 10.440 10.665 ( 2.241 2.915 -4.993) 6.201 10.806 ( 1.876 -5.135 -1.409) 5.646 10.884 ( 0.761 -1.713 -7.340) 7.575 11.942 ( -4.499 19.454 5.945) 20.834 12.159 ( -13.345 15.844 -15.567) 25.912 13.593 ( 9.305 0.684 14.579) 17.309 13.808 ( 1.269 -1.100 -5.949) 6.182 14.215 ( 4.673 -9.364 5.662) 11.899 14.228 ( 0.384 -7.799 7.170) 10.601 14.333 ( 0.027 -8.960 -3.428) 9.594 14.376 ( -2.933 -6.967 -4.551) 8.823 14.883 ( 10.583 -4.036 8.380) 14.090 15.016 ( 8.831 -4.135 -4.293) 10.654 15.312 ( 8.779 -2.783 9.758) 13.418 15.470 ( 4.910 -4.678 -5.993) 9.051 17.130 ( -4.124 2.937 -0.368) 5.076 17.152 ( -3.484 1.815 -1.637) 4.256 17.285 ( -6.979 6.266 0.115) 9.380 17.333 ( -7.656 4.105 -3.828) 9.493 ======================= Grid point 265 (90/100) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -0.474 10.481 -1.072) 10.546 1.856 ( 0.474 10.481 -1.072) 10.546 2.001 ( -1.954 1.919 -2.767) 3.893 2.001 ( 1.954 1.919 -2.767) 3.893 2.593 ( -3.012 -4.969 4.823) 7.551 2.593 ( 3.012 -4.969 4.823) 7.551 2.751 ( -0.447 -6.861 -4.949) 8.471 2.751 ( 0.447 -6.861 -4.949) 8.471 2.894 ( -2.622 1.270 1.882) 3.468 2.894 ( 2.622 1.270 1.882) 3.468 3.277 ( -2.950 -4.015 -1.189) 5.122 3.277 ( 2.950 -4.015 -1.189) 5.122 3.828 ( -2.870 -2.280 3.073) 4.783 3.828 ( 2.870 -2.280 3.073) 4.783 3.955 ( -9.209 -4.224 -7.314) 12.496 3.955 ( 9.209 -4.224 -7.314) 12.496 4.620 ( -6.651 1.613 -1.807) 7.079 4.620 ( 6.651 1.613 -1.807) 7.079 5.186 ( -1.377 -1.256 1.045) 2.136 5.186 ( 1.377 -1.256 1.045) 2.136 5.332 ( -5.715 -2.698 3.595) 7.271 5.332 ( 5.715 -2.698 3.595) 7.271 5.634 ( -7.717 4.332 -4.377) 9.873 5.634 ( 7.717 4.332 -4.377) 9.873 5.901 ( -3.472 18.383 0.392) 18.712 5.901 ( 3.472 18.383 0.392) 18.712 6.473 ( -0.498 -6.722 2.425) 7.164 6.473 ( 0.498 -6.722 2.425) 7.164 7.592 ( -1.565 3.721 2.364) 4.678 7.592 ( 1.565 3.721 2.364) 4.678 8.108 ( -6.381 1.548 2.038) 6.875 8.108 ( 6.381 1.548 2.038) 6.875 8.250 ( -2.248 -1.430 -1.903) 3.274 8.250 ( 2.248 -1.430 -1.903) 3.274 8.735 ( -3.369 -8.698 1.767) 9.493 8.735 ( 3.369 -8.698 1.767) 9.493 9.952 ( -1.330 6.292 1.040) 6.515 9.952 ( 1.330 6.292 1.040) 6.515 10.300 ( -2.159 -3.426 -4.997) 6.432 10.300 ( 2.159 -3.426 -4.997) 6.432 10.637 ( -5.089 1.534 5.996) 8.013 10.637 ( 5.089 1.534 5.996) 8.013 10.860 ( -2.847 -4.479 -7.095) 8.860 10.860 ( 2.847 -4.479 -7.095) 8.860 11.953 ( -5.570 20.266 -6.000) 21.857 11.953 ( 5.570 20.266 -6.000) 21.857 13.755 ( -5.788 0.305 7.099) 9.165 13.755 ( 5.788 0.305 7.099) 9.165 14.267 ( -3.101 -8.704 1.046) 9.299 14.267 ( 3.101 -8.704 1.046) 9.299 14.315 ( -1.886 -9.290 -2.992) 9.941 14.315 ( 1.886 -9.290 -2.992) 9.941 15.066 ( -4.445 -3.140 3.725) 6.595 15.066 ( 4.445 -3.140 3.725) 6.595 15.469 ( -4.885 -5.902 3.615) 8.471 15.469 ( 4.885 -5.902 3.615) 8.471 17.108 ( -1.466 6.228 -3.522) 7.304 17.108 ( 1.466 6.228 -3.522) 7.304 17.215 ( -2.049 2.990 -1.321) 3.858 17.215 ( 2.049 2.990 -1.321) 3.858 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 5.847 2.790) 6.478 1.891 ( 0.000 4.199 -4.300) 6.010 2.192 ( 0.000 3.430 12.817) 13.268 2.327 ( 0.000 -0.427 12.450) 12.458 2.345 ( 0.000 -6.666 12.276) 13.969 2.487 ( 0.000 3.497 -14.516) 14.931 2.591 ( 0.000 -1.544 -14.509) 14.591 2.611 ( 0.000 1.994 -12.465) 12.624 2.824 ( 0.000 -4.077 4.870) 6.352 2.959 ( 0.000 -6.317 -6.517) 9.076 3.216 ( 0.000 -10.003 5.520) 11.425 3.389 ( 0.000 -10.444 -10.296) 14.665 4.052 ( 0.000 16.397 5.320) 17.238 4.141 ( 0.000 11.556 -4.193) 12.293 4.527 ( 0.000 -0.291 2.839) 2.854 4.587 ( 0.000 -5.406 -3.827) 6.623 4.802 ( 0.000 2.628 6.707) 7.203 4.878 ( 0.000 9.425 29.860) 31.312 4.884 ( 0.000 3.063 0.783) 3.162 4.991 ( 0.000 6.084 13.364) 14.684 5.296 ( 0.000 -0.938 -13.559) 13.592 5.305 ( 0.000 -6.133 11.145) 12.721 5.560 ( 0.000 1.468 -30.356) 30.391 5.617 ( 0.000 -4.704 -14.554) 15.295 6.071 ( 0.000 -9.032 2.728) 9.435 6.169 ( 0.000 -8.225 -7.753) 11.303 6.403 ( 0.000 6.493 0.813) 6.543 6.412 ( 0.000 9.940 -0.446) 9.950 6.784 ( 0.000 -6.242 4.199) 7.523 6.874 ( 0.000 -8.253 -4.836) 9.566 7.146 ( 0.000 2.247 0.755) 2.371 7.185 ( 0.000 0.315 -3.230) 3.246 8.341 ( 0.000 7.446 8.005) 10.933 8.441 ( 0.000 4.161 -1.844) 4.551 9.367 ( 0.000 -6.362 4.389) 7.729 9.376 ( 0.000 -5.600 3.256) 6.478 9.876 ( 0.000 8.036 0.748) 8.071 9.904 ( 0.000 6.641 -2.065) 6.955 10.090 ( 0.000 -3.818 -1.094) 3.972 10.127 ( 0.000 -4.951 -2.544) 5.566 10.580 ( 0.000 7.522 3.862) 8.456 10.732 ( 0.000 2.471 -9.753) 10.061 10.742 ( 0.000 3.162 1.011) 3.320 10.822 ( 0.000 -0.396 -7.060) 7.071 12.825 ( 0.000 7.754 15.540) 17.367 13.050 ( 0.000 -4.453 -0.646) 4.500 13.146 ( 0.000 11.574 25.450) 27.958 13.466 ( 0.000 10.918 1.227) 10.987 13.701 ( 0.000 4.754 -19.608) 20.176 13.806 ( 0.000 -2.745 -14.322) 14.582 14.028 ( 0.000 -21.486 10.344) 23.846 14.237 ( 0.000 -16.034 -9.402) 18.587 14.397 ( 0.000 -4.514 -1.686) 4.819 14.455 ( 0.000 -5.474 -4.990) 7.407 15.049 ( 0.000 1.172 4.279) 4.436 15.067 ( 0.000 0.287 2.289) 2.307 17.375 ( 0.000 -0.336 4.004) 4.018 17.414 ( 0.000 -2.109 -0.261) 2.125 17.720 ( 0.000 4.343 1.500) 4.595 17.749 ( 0.000 2.863 -1.335) 3.159 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 2.602 5.927 1.755) 6.707 1.925 ( 2.913 5.199 -5.115) 7.854 2.165 ( -1.194 3.552 13.997) 14.490 2.307 ( -0.466 -2.505 8.917) 9.274 2.402 ( 2.127 -6.116 8.175) 10.429 2.485 ( -0.118 2.268 -9.548) 9.814 2.556 ( -0.358 -0.633 -11.318) 11.342 2.657 ( -0.599 -7.520 -8.543) 11.397 2.847 ( 2.987 0.739 -0.736) 3.164 2.894 ( -5.014 -4.167 -1.904) 6.792 3.210 ( -0.548 -8.952 3.422) 9.599 3.366 ( -2.900 -10.066 -10.161) 14.594 4.084 ( 2.245 16.564 3.283) 17.035 4.141 ( -0.091 13.266 -2.499) 13.499 4.385 ( -12.544 4.402 12.212) 18.052 4.577 ( -3.129 -1.529 -4.463) 5.661 4.694 ( -4.521 -1.733 10.380) 11.453 4.738 ( -2.544 -1.701 10.312) 10.756 4.829 ( -5.187 7.171 -3.836) 9.646 5.132 ( -13.485 -5.665 -15.272) 21.146 5.218 ( 12.112 3.974 14.780) 19.517 5.349 ( 1.840 -4.123 13.536) 14.269 5.600 ( 5.430 3.328 -18.719) 19.772 5.654 ( -1.971 -0.660 -17.643) 17.765 5.974 ( -3.783 -5.482 3.837) 7.686 6.067 ( -1.913 -4.792 -5.639) 7.644 6.495 ( 1.832 3.435 0.838) 3.983 6.526 ( 2.138 5.740 -2.504) 6.617 6.871 ( 11.935 -4.226 4.994) 13.611 6.967 ( 11.359 -6.724 -4.605) 13.980 7.276 ( 10.698 2.130 1.810) 11.057 7.346 ( 12.840 -0.797 -5.175) 13.866 8.313 ( -2.322 7.200 8.209) 11.163 8.420 ( -1.771 3.700 -2.225) 4.667 9.271 ( -8.804 -6.437 4.553) 11.818 9.291 ( -7.761 -6.093 2.382) 10.150 9.910 ( 2.953 7.327 1.413) 8.025 9.951 ( 3.870 7.058 -2.905) 8.558 10.121 ( 2.771 -4.050 0.950) 4.998 10.192 ( 4.754 -5.002 -4.521) 8.250 10.568 ( -1.162 7.217 3.864) 8.269 10.709 ( -1.544 2.184 -6.051) 6.616 10.739 ( -0.242 2.891 -1.249) 3.159 10.821 ( 0.193 -0.341 -7.217) 7.227 12.690 ( -9.845 14.432 14.646) 22.797 12.950 ( -6.550 2.408 -5.974) 9.186 13.233 ( 3.635 6.946 13.039) 15.215 13.514 ( 4.044 1.173 -3.115) 5.238 13.747 ( 9.876 1.140 3.207) 10.446 13.976 ( 5.066 -7.653 -4.308) 10.139 14.047 ( 4.617 -15.122 2.220) 15.966 14.201 ( -3.430 -14.011 -8.237) 16.611 14.433 ( 7.201 -1.432 1.581) 7.510 14.558 ( 6.216 -5.703 -8.419) 11.918 15.065 ( 1.885 0.994 4.114) 4.633 15.106 ( 3.811 -1.163 -0.493) 4.015 17.335 ( -3.519 -0.125 3.622) 5.052 17.370 ( -3.991 -1.594 -0.120) 4.299 17.679 ( -3.825 4.481 1.090) 5.991 17.706 ( -4.013 3.095 -1.504) 5.287 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 3.117 6.809 0.127) 7.489 1.984 ( 2.333 6.673 -6.017) 9.283 2.173 ( 1.097 2.141 12.390) 12.621 2.289 ( -2.166 2.347 4.541) 5.552 2.419 ( -0.220 -6.477 7.643) 10.021 2.490 ( -0.397 -5.345 -2.108) 5.759 2.532 ( 0.355 -5.426 -7.989) 9.664 2.596 ( -3.923 -10.077 -8.111) 13.517 2.809 ( -1.165 0.293 3.952) 4.131 2.923 ( 1.779 2.344 -5.048) 5.843 3.201 ( -0.213 -7.925 -2.187) 8.224 3.262 ( -6.096 -8.610 -7.389) 12.880 3.977 ( -12.738 7.997 9.671) 17.881 4.062 ( -7.950 5.925 4.451) 10.868 4.226 ( -5.687 12.196 2.771) 13.739 4.467 ( -7.229 4.393 -15.390) 17.561 4.545 ( -2.379 3.479 12.823) 13.498 4.785 ( -2.140 -4.153 -2.863) 5.479 4.879 ( 1.138 -3.613 -7.975) 8.829 4.915 ( 10.819 -1.228 -4.386) 11.739 5.304 ( -3.335 -0.627 9.710) 10.286 5.455 ( 7.045 0.375 11.504) 13.494 5.515 ( -8.525 0.655 -9.550) 12.818 5.711 ( 3.300 0.473 -12.558) 12.993 5.992 ( 4.588 -0.889 7.212) 8.594 6.122 ( 4.860 -3.179 -5.749) 8.172 6.463 ( -3.240 2.975 1.636) 4.693 6.491 ( -3.420 3.767 -1.187) 5.225 7.221 ( 18.176 0.456 4.032) 18.624 7.285 ( 16.436 -2.454 -2.201) 16.763 7.541 ( 13.850 2.236 3.227) 14.396 7.660 ( 16.318 -2.046 -8.527) 18.525 8.258 ( -2.753 5.479 8.324) 10.339 8.373 ( -2.835 2.167 -2.702) 4.476 9.020 ( -14.440 -6.635 5.021) 16.666 9.070 ( -12.740 -7.111 0.074) 14.590 9.981 ( 3.366 6.123 2.429) 7.397 10.041 ( 4.027 6.823 -3.892) 8.827 10.174 ( 1.735 -4.070 1.695) 4.738 10.272 ( 2.072 -4.980 -7.150) 8.957 10.543 ( -0.588 6.254 4.818) 7.916 10.680 ( -0.707 1.271 -7.049) 7.198 10.750 ( 1.149 1.963 2.187) 3.155 10.840 ( 1.436 -0.638 -6.458) 6.647 12.512 ( -6.242 22.277 10.530) 25.419 12.762 ( -9.821 15.313 -14.394) 23.198 13.366 ( 8.490 -2.399 13.281) 15.944 13.591 ( 3.555 -11.941 -7.831) 14.715 13.944 ( 2.007 -6.530 4.793) 8.346 14.028 ( 1.560 -13.468 0.303) 13.562 14.102 ( 3.680 -6.807 7.307) 10.643 14.211 ( 3.084 -6.396 1.179) 7.198 14.658 ( 10.059 -0.345 -0.566) 10.081 14.702 ( 10.659 -2.213 -3.920) 11.571 15.137 ( 4.802 -0.195 3.718) 6.076 15.228 ( 7.133 -4.196 -5.642) 10.016 17.246 ( -4.294 0.740 2.394) 4.972 17.269 ( -4.846 -0.027 -0.185) 4.850 17.565 ( -6.839 4.761 0.013) 8.333 17.587 ( -7.091 3.519 -2.048) 8.177 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 2.826 6.695 0.058) 7.267 2.035 ( 2.545 6.610 -4.289) 8.280 2.144 ( -3.528 7.585 5.804) 10.181 2.199 ( -4.958 6.417 0.937) 8.163 2.424 ( 1.160 -6.964 5.994) 9.261 2.487 ( -1.086 -10.565 1.853) 10.781 2.564 ( 2.930 -7.031 -2.848) 8.132 2.592 ( 1.780 -8.888 -2.767) 9.477 2.836 ( 3.741 1.587 0.097) 4.065 2.907 ( -1.817 1.881 -5.451) 6.046 3.153 ( -3.517 -6.798 0.067) 7.654 3.192 ( -1.695 -10.137 -4.075) 11.056 3.776 ( -3.970 1.341 5.724) 7.094 3.869 ( -7.877 -1.521 5.411) 9.676 3.988 ( -12.806 5.007 -5.775) 14.913 4.180 ( -17.128 -2.830 -16.627) 24.039 4.658 ( 8.314 12.852 6.792) 16.746 4.786 ( 3.715 8.821 -5.811) 11.197 5.087 ( 11.933 -1.087 3.901) 12.601 5.162 ( 6.967 2.375 0.148) 7.362 5.233 ( 0.950 -3.950 -0.434) 4.086 5.336 ( -7.498 2.300 -6.836) 10.404 5.540 ( 1.054 -4.882 9.370) 10.618 5.719 ( -2.847 -6.792 -8.169) 10.999 6.113 ( 6.078 6.461 7.018) 11.311 6.211 ( 2.941 2.119 -2.610) 4.467 6.393 ( -2.848 1.806 2.682) 4.309 6.414 ( -3.697 2.425 0.651) 4.469 7.555 ( 12.683 4.552 4.106) 14.087 7.608 ( 12.863 5.114 -0.644) 13.858 7.844 ( 14.710 0.915 6.392) 16.065 8.006 ( 15.718 -1.273 -9.583) 18.453 8.206 ( -1.594 0.743 5.443) 5.720 8.289 ( -5.379 -1.220 -1.754) 5.787 8.695 ( -15.393 -7.478 4.987) 17.826 8.777 ( -14.552 -8.333 -2.728) 16.990 10.039 ( 2.175 5.322 1.763) 6.013 10.091 ( 0.504 5.667 -3.596) 6.730 10.198 ( 0.907 -3.662 -0.504) 3.806 10.271 ( -1.857 -4.259 -7.457) 8.786 10.571 ( 3.603 4.299 6.331) 8.458 10.705 ( 3.173 -0.248 -6.141) 6.917 10.753 ( -1.510 1.105 3.813) 4.248 10.855 ( -0.756 -1.514 -5.848) 6.088 12.438 ( -0.851 28.295 3.701) 28.549 12.579 ( -7.162 24.527 -10.542) 27.640 13.548 ( 7.848 -9.818 7.399) 14.585 13.658 ( 2.296 -18.993 -3.657) 19.478 13.955 ( 0.554 -11.126 2.180) 11.351 13.991 ( -0.516 -7.137 0.028) 7.155 14.179 ( -0.866 -6.149 5.066) 8.015 14.225 ( -1.595 -6.760 0.687) 6.979 14.867 ( 11.407 2.203 7.450) 13.801 14.974 ( 11.505 -0.646 -2.427) 11.776 15.236 ( 3.776 -3.398 6.169) 7.991 15.348 ( 2.768 -6.657 -4.544) 8.522 17.189 ( -0.306 2.608 0.128) 2.629 17.202 ( -0.701 2.253 -1.260) 2.675 17.405 ( -7.930 4.745 -1.277) 9.329 17.421 ( -8.321 3.684 -2.551) 9.451 ======================= Grid point 274 (95/100) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -2.589 5.861 1.745) 6.640 2.040 ( 2.589 5.861 1.745) 6.640 2.121 ( -2.402 10.613 -1.270) 10.955 2.121 ( 2.402 10.613 -1.270) 10.955 2.458 ( -1.695 -8.397 3.293) 9.178 2.458 ( 1.695 -8.397 3.293) 9.178 2.598 ( -1.217 -7.725 -2.985) 8.370 2.598 ( 1.217 -7.725 -2.985) 8.370 2.906 ( -1.313 0.779 -0.446) 1.591 2.906 ( 1.313 0.779 -0.446) 1.591 3.130 ( -2.495 -9.194 1.799) 9.695 3.130 ( 2.495 -9.194 1.799) 9.695 3.797 ( -3.449 -0.233 -2.215) 4.106 3.797 ( 3.449 -0.233 -2.215) 4.106 3.869 ( -9.860 -3.589 -8.978) 13.809 3.869 ( 9.860 -3.589 -8.978) 13.809 4.801 ( -3.819 15.488 1.307) 16.005 4.801 ( 3.819 15.488 1.307) 16.005 5.193 ( -3.522 1.572 -1.700) 4.215 5.193 ( 3.522 1.572 -1.700) 4.215 5.295 ( -5.151 -1.539 2.545) 5.948 5.295 ( 5.151 -1.539 2.545) 5.948 5.602 ( -6.629 -9.324 -2.585) 11.729 5.602 ( 6.629 -9.324 -2.585) 11.729 6.218 ( -2.947 11.033 2.548) 11.701 6.218 ( 2.947 11.033 2.548) 11.701 6.361 ( -0.366 -2.572 2.412) 3.545 6.361 ( 0.366 -2.572 2.412) 3.545 7.729 ( -2.493 9.978 2.995) 10.712 7.729 ( 2.493 9.978 2.995) 10.712 8.121 ( -9.896 -2.507 6.539) 12.123 8.121 ( 9.896 -2.507 6.539) 12.123 8.228 ( -2.209 0.938 -5.161) 5.691 8.228 ( 2.209 0.938 -5.161) 5.691 8.516 ( -5.518 -11.771 -1.326) 13.068 8.516 ( 5.518 -11.771 -1.326) 13.068 10.077 ( -1.412 5.107 -1.012) 5.394 10.077 ( 1.412 5.107 -1.012) 5.394 10.224 ( -1.871 -3.660 -4.287) 5.939 10.224 ( 1.871 -3.660 -4.287) 5.939 10.673 ( -5.114 2.604 6.213) 8.458 10.673 ( 5.114 2.604 6.213) 8.458 10.798 ( -4.256 -2.124 -6.433) 8.001 10.798 ( 4.256 -2.124 -6.433) 8.001 12.468 ( -3.443 29.310 -3.787) 29.754 12.468 ( 3.443 29.310 -3.787) 29.754 13.660 ( -2.491 -17.167 1.340) 17.398 13.660 ( 2.491 -17.167 1.340) 17.398 13.987 ( -1.859 -7.265 3.334) 8.207 13.987 ( 1.859 -7.265 3.334) 8.207 14.166 ( -2.135 -7.348 -0.414) 7.663 14.166 ( 2.135 -7.348 -0.414) 7.663 15.062 ( -4.596 2.884 3.382) 6.394 15.062 ( 4.596 2.884 3.382) 6.394 15.320 ( -4.526 -8.073 3.040) 9.742 15.320 ( 4.526 -8.073 3.040) 9.742 17.234 ( -1.105 5.210 -2.550) 5.905 17.234 ( 1.106 5.210 -2.550) 5.905 17.278 ( -1.237 2.581 -1.545) 3.253 17.278 ( 1.237 2.581 -1.545) 3.253 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 -7.135 0.601) 7.160 2.003 ( 0.000 7.135 0.601) 7.160 2.116 ( 0.000 -8.802 7.798) 11.760 2.116 ( 0.000 8.802 7.798) 11.760 2.485 ( 0.000 -8.942 3.964) 9.781 2.485 ( 0.000 8.942 3.964) 9.781 2.582 ( 0.000 -3.871 -11.616) 12.244 2.582 ( 0.000 3.871 -11.616) 12.244 2.845 ( 0.000 -4.809 0.517) 4.837 2.845 ( 0.000 4.809 0.517) 4.837 3.180 ( 0.000 -6.941 -7.730) 10.389 3.180 ( 0.000 6.941 -7.730) 10.389 4.364 ( 0.000 -5.535 0.802) 5.593 4.364 ( 0.000 5.535 0.802) 5.593 4.415 ( 0.000 -2.489 -3.244) 4.089 4.415 ( 0.000 2.489 -3.244) 4.089 4.873 ( 0.000 -2.912 11.778) 12.133 4.873 ( 0.000 2.912 11.778) 12.133 5.082 ( 0.000 -7.172 21.392) 22.563 5.082 ( 0.000 7.172 21.392) 22.563 5.213 ( 0.000 -4.789 -1.640) 5.062 5.213 ( 0.000 4.789 -1.640) 5.062 5.582 ( 0.000 -0.332 -24.759) 24.761 5.582 ( 0.000 0.332 -24.759) 24.761 5.979 ( 0.000 -4.099 -4.299) 5.940 5.979 ( 0.000 4.099 -4.299) 5.940 6.591 ( 0.000 -4.660 1.350) 4.851 6.591 ( 0.000 4.660 1.350) 4.851 6.683 ( 0.000 -6.664 -2.146) 7.001 6.683 ( 0.000 6.664 -2.146) 7.001 7.179 ( 0.000 -0.986 -1.214) 1.564 7.179 ( 0.000 0.986 -1.214) 1.564 8.459 ( 0.000 -3.004 4.375) 5.307 8.459 ( 0.000 3.004 4.375) 5.307 9.303 ( 0.000 -0.632 2.609) 2.684 9.303 ( 0.000 0.632 2.609) 2.684 10.005 ( 0.000 -4.831 -1.349) 5.016 10.005 ( 0.000 4.831 -1.349) 5.016 10.024 ( 0.000 -5.248 -2.186) 5.685 10.024 ( 0.000 5.248 -2.186) 5.685 10.715 ( 0.000 -4.709 -0.803) 4.777 10.715 ( 0.000 4.709 -0.803) 4.777 10.796 ( 0.000 -1.831 -3.136) 3.631 10.796 ( 0.000 1.831 -3.136) 3.631 12.940 ( 0.000 -5.355 8.561) 10.098 12.940 ( 0.000 5.355 8.561) 10.098 13.506 ( 0.000 -20.226 17.538) 26.771 13.506 ( 0.000 20.226 17.538) 26.771 13.701 ( 0.000 -7.318 -2.489) 7.730 13.701 ( 0.000 7.318 -2.489) 7.730 13.926 ( 0.000 -12.407 -20.576) 24.027 13.926 ( 0.000 12.407 -20.576) 24.027 14.373 ( 0.000 -1.966 -3.069) 3.645 14.373 ( 0.000 1.966 -3.069) 3.645 15.064 ( 0.000 -0.460 3.388) 3.419 15.064 ( 0.000 0.460 3.388) 3.419 17.383 ( 0.000 -1.025 1.998) 2.246 17.383 ( 0.000 1.025 1.998) 2.246 17.773 ( 0.000 -0.709 0.093) 0.715 17.773 ( 0.000 0.709 0.093) 0.715 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 2.422 -7.785 1.901) 8.371 2.031 ( 2.422 7.785 1.901) 8.371 2.144 ( 2.648 -9.824 6.690) 12.177 2.144 ( 2.648 9.824 6.690) 12.177 2.441 ( -4.265 -8.658 1.667) 9.795 2.441 ( -4.265 8.658 1.667) 9.795 2.560 ( -2.316 -2.678 -12.153) 12.658 2.560 ( -2.316 2.678 -12.153) 12.658 2.850 ( 1.052 -1.881 4.885) 5.339 2.850 ( 1.052 1.881 4.885) 5.339 3.185 ( -0.307 -6.020 -8.841) 10.701 3.185 ( -0.307 6.020 -8.841) 10.701 4.351 ( -6.137 -7.003 4.494) 10.339 4.351 ( -6.137 7.003 4.494) 10.339 4.434 ( 4.106 -11.448 -2.790) 12.478 4.434 ( 4.106 11.448 -2.790) 12.478 4.698 ( -6.562 -2.012 10.727) 12.735 4.698 ( -6.562 2.012 10.727) 12.735 4.994 ( -13.296 -7.801 -9.509) 18.113 4.994 ( -13.296 7.801 -9.509) 18.113 5.282 ( 7.847 -2.621 18.236) 20.025 5.282 ( 7.847 2.621 18.236) 20.025 5.646 ( 1.677 -2.384 -16.843) 17.093 5.646 ( 1.677 2.384 -16.843) 17.093 5.924 ( -0.537 -4.434 -4.176) 6.114 5.924 ( -0.537 4.434 -4.176) 6.114 6.614 ( -3.511 -2.732 0.653) 4.496 6.614 ( -3.511 2.732 0.653) 4.496 6.828 ( 17.290 -4.006 -1.091) 17.781 6.828 ( 17.290 4.006 -1.091) 17.781 7.319 ( 11.459 -1.836 -1.888) 11.758 7.319 ( 11.459 1.836 -1.888) 11.758 8.431 ( -2.435 -3.216 4.428) 5.990 8.431 ( -2.435 3.216 4.428) 5.990 9.209 ( -8.581 -0.959 2.195) 8.909 9.209 ( -8.581 0.959 2.195) 8.909 10.027 ( 2.189 -4.164 -0.146) 4.706 10.027 ( 2.189 4.164 -0.146) 4.706 10.086 ( 4.633 -5.091 -3.594) 7.765 10.086 ( 4.633 5.091 -3.594) 7.765 10.693 ( -1.827 -4.145 -0.328) 4.542 10.693 ( -1.827 4.145 -0.328) 4.542 10.794 ( 0.047 -2.218 -2.941) 3.684 10.794 ( 0.047 2.218 -2.941) 3.684 12.915 ( -1.404 -6.352 6.515) 9.207 12.915 ( -1.404 6.352 6.515) 9.207 13.450 ( -5.590 -12.661 1.608) 13.933 13.450 ( -5.590 12.661 1.608) 13.933 13.756 ( 5.804 -7.982 8.096) 12.765 13.756 ( 5.804 7.982 8.096) 12.765 13.995 ( 4.739 -5.380 -8.878) 11.411 13.995 ( 4.739 5.380 -8.878) 11.411 14.459 ( 7.899 -3.552 -6.090) 10.588 14.459 ( 7.899 3.552 -6.090) 10.588 15.083 ( 1.979 -0.983 2.078) 3.033 15.083 ( 1.979 0.983 2.078) 3.033 17.345 ( -3.362 -0.905 1.847) 3.941 17.345 ( -3.362 0.905 1.847) 3.941 17.733 ( -3.748 -0.650 -0.186) 3.809 17.733 ( -3.748 0.650 -0.186) 3.809 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 2.664 -6.873 4.824) 8.809 2.089 ( 2.664 6.873 4.824) 8.809 2.216 ( 3.263 -11.015 2.405) 11.737 2.216 ( 3.263 11.015 2.405) 11.737 2.341 ( -3.657 -2.931 0.706) 4.740 2.341 ( -3.657 2.931 0.706) 4.740 2.493 ( -3.055 -1.784 -8.860) 9.540 2.493 ( -3.055 1.784 -8.860) 9.540 2.881 ( 1.312 -5.373 5.988) 8.151 2.881 ( 1.312 5.373 5.988) 8.151 3.148 ( -3.102 -2.925 -9.987) 10.859 3.148 ( -3.102 2.925 -9.987) 10.859 4.085 ( -15.370 -2.642 11.579) 19.424 4.085 ( -15.370 2.642 11.579) 19.424 4.449 ( -11.941 -7.097 -10.684) 17.524 4.449 ( -11.941 7.097 -10.684) 17.524 4.692 ( 7.013 -7.061 4.031) 10.738 4.692 ( 7.013 7.061 4.031) 10.738 4.856 ( 6.072 -2.724 -7.715) 10.189 4.856 ( 6.072 2.724 -7.715) 10.189 5.370 ( -0.017 -6.247 12.464) 13.942 5.370 ( -0.017 6.247 12.464) 13.942 5.604 ( -3.661 -7.489 -8.470) 11.884 5.604 ( -3.661 7.489 -8.470) 11.884 6.022 ( 7.723 -4.162 -1.457) 8.893 6.022 ( 7.723 4.162 -1.457) 8.893 6.539 ( -3.544 -1.260 0.801) 3.845 6.539 ( -3.543 1.260 0.801) 3.845 7.236 ( 20.072 -1.658 1.203) 20.176 7.236 ( 20.072 1.658 1.203) 20.176 7.603 ( 14.987 -3.385 -3.860) 15.842 7.603 ( 14.987 3.385 -3.860) 15.842 8.362 ( -4.311 -3.652 4.931) 7.499 8.362 ( -4.311 3.652 4.931) 7.499 8.966 ( -13.943 -1.955 0.728) 14.098 8.966 ( -13.943 1.955 0.728) 14.098 10.083 ( 2.674 -4.145 1.337) 5.111 10.083 ( 2.674 4.145 1.337) 5.111 10.168 ( 2.487 -5.165 -5.964) 8.272 10.168 ( 2.487 5.165 -5.964) 8.272 10.654 ( -1.379 -3.892 0.029) 4.129 10.654 ( -1.379 3.892 0.029) 4.129 10.806 ( 0.942 -2.695 -1.547) 3.247 10.806 ( 0.942 2.695 -1.547) 3.247 12.918 ( 2.079 -10.278 2.762) 10.844 12.918 ( 2.079 10.278 2.762) 10.844 13.319 ( -6.117 -7.002 -4.112) 10.167 13.319 ( -6.117 7.002 -4.112) 10.167 13.858 ( 2.967 -2.182 5.028) 6.233 13.858 ( 2.967 2.182 5.028) 6.233 14.103 ( 4.604 -3.833 3.631) 7.005 14.103 ( 4.604 3.833 3.631) 7.005 14.671 ( 11.636 -1.196 -2.196) 11.901 14.671 ( 11.635 1.196 -2.196) 11.901 15.156 ( 4.698 -2.422 -1.246) 5.431 15.156 ( 4.698 2.422 -1.246) 5.431 17.263 ( -3.713 -0.650 1.135) 3.936 17.263 ( -3.713 0.650 1.135) 3.936 17.620 ( -6.794 -0.516 -0.955) 6.881 17.620 ( -6.794 0.516 -0.955) 6.881 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 1.897 -6.302 5.099) 8.325 2.134 ( 1.897 6.302 5.099) 8.325 2.227 ( -1.481 -9.253 -1.354) 9.468 2.227 ( -1.481 9.253 -1.354) 9.468 2.349 ( 3.275 -3.997 0.216) 5.172 2.349 ( 3.275 3.997 0.216) 5.172 2.460 ( -0.629 -1.620 -0.697) 1.872 2.460 ( -0.629 1.620 -0.697) 1.872 2.906 ( 1.585 -4.019 1.668) 4.631 2.906 ( 1.585 4.019 1.668) 4.631 3.066 ( -4.447 -2.132 -6.702) 8.321 3.066 ( -4.447 2.132 -6.702) 8.321 3.820 ( -7.816 -2.594 7.292) 10.999 3.820 ( -7.816 2.594 7.292) 10.999 4.093 ( -17.267 -4.968 -13.622) 22.548 4.093 ( -17.267 4.968 -13.622) 22.548 4.916 ( 11.630 -7.536 3.340) 14.255 4.916 ( 11.630 7.536 3.340) 14.255 5.081 ( 12.069 -7.452 -4.844) 14.989 5.081 ( 12.069 7.452 -4.844) 14.989 5.307 ( -5.040 -8.802 6.309) 11.945 5.307 ( -5.040 8.802 6.309) 11.945 5.508 ( -6.017 -9.491 -4.928) 12.270 5.508 ( -6.017 9.491 -4.928) 12.270 6.190 ( 7.722 -2.180 2.634) 8.445 6.190 ( 7.722 2.180 2.634) 8.445 6.455 ( -4.683 -0.977 1.631) 5.054 6.455 ( -4.683 0.977 1.631) 5.054 7.639 ( 17.775 -2.769 4.292) 18.494 7.639 ( 17.775 2.769 4.292) 18.494 7.929 ( 15.056 -6.177 -5.377) 17.140 7.929 ( 15.056 6.177 -5.377) 17.140 8.240 ( -7.124 -2.735 5.611) 9.472 8.240 ( -7.124 2.735 5.611) 9.472 8.648 ( -15.877 -3.142 -1.893) 16.295 8.648 ( -15.877 3.142 -1.893) 16.295 10.124 ( 1.352 -3.433 0.340) 3.705 10.124 ( 1.352 3.433 0.340) 3.705 10.187 ( -0.604 -3.980 -5.914) 7.154 10.187 ( -0.604 3.980 -5.914) 7.154 10.661 ( 2.475 -3.802 0.198) 4.541 10.661 ( 2.475 3.802 0.198) 4.541 10.808 ( -1.414 -3.089 -0.242) 3.406 10.808 ( -1.414 3.089 -0.242) 3.406 12.996 ( 4.863 -11.733 -0.149) 12.702 12.996 ( 4.863 11.733 -0.149) 12.702 13.203 ( -5.010 -8.680 -3.663) 10.671 13.203 ( -5.010 8.680 -3.663) 10.671 13.917 ( 3.636 -3.231 2.829) 5.627 13.917 ( 3.636 3.231 2.829) 5.627 14.126 ( -2.747 -2.010 3.521) 4.897 14.126 ( -2.747 2.010 3.521) 4.897 14.936 ( 12.869 -3.515 4.192) 13.984 14.936 ( 12.869 3.515 4.192) 13.984 15.234 ( 1.180 -3.593 -1.128) 3.947 15.234 ( 1.180 3.593 -1.128) 3.947 17.223 ( 0.601 -0.402 -0.473) 0.864 17.223 ( 0.601 0.402 -0.473) 0.864 17.458 ( -8.227 -0.318 -1.835) 8.435 17.458 ( -8.227 0.318 -1.835) 8.435 ======================= Grid point 287 (100/100) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -2.443 -7.313 2.485) 8.100 2.183 ( 2.302 -7.301 2.485) 8.048 2.183 ( -2.302 7.301 2.485) 8.048 2.183 ( 2.443 7.313 2.485) 8.100 2.423 ( -1.122 -8.254 -0.603) 8.352 2.423 ( 0.001 -8.235 -0.603) 8.257 2.423 ( -0.001 8.235 -0.603) 8.257 2.423 ( 1.122 8.254 -0.603) 8.352 2.970 ( -2.330 -5.532 -0.401) 6.016 2.970 ( -0.609 -5.417 -0.401) 5.465 2.970 ( 0.609 5.417 -0.401) 5.465 2.970 ( 2.330 5.532 -0.401) 6.016 3.815 ( -7.439 -1.718 -6.056) 9.745 3.815 ( -7.053 1.246 -6.056) 9.379 3.815 ( 7.053 -1.246 -6.056) 9.380 3.815 ( 7.439 1.718 -6.056) 9.745 5.135 ( -7.041 -11.670 3.527) 14.078 5.135 ( 3.707 -11.280 3.527) 12.386 5.135 ( -3.707 11.280 3.527) 12.386 5.135 ( 7.041 11.670 3.527) 14.078 5.342 ( -8.800 -9.639 -3.749) 13.579 5.342 ( 5.324 -8.980 -3.749) 11.092 5.342 ( -5.324 8.980 -3.749) 11.092 5.342 ( 8.800 9.639 -3.749) 13.579 6.339 ( -5.642 -1.190 2.863) 6.438 6.339 ( -5.304 -0.699 2.863) 6.067 6.339 ( 5.304 0.699 2.863) 6.067 6.339 ( 5.642 1.190 2.863) 6.438 7.966 ( -9.986 -10.952 5.330) 15.750 7.966 ( 0.322 -9.749 5.330) 11.115 7.966 ( -0.322 9.749 5.330) 11.115 7.966 ( 9.986 10.952 5.330) 15.750 8.315 ( -12.576 -5.818 -4.028) 14.430 8.315 ( -9.114 -3.882 -4.028) 10.694 8.315 ( 9.114 3.882 -4.028) 10.694 8.315 ( 12.576 5.818 -4.028) 14.430 10.156 ( -1.622 -3.172 -2.911) 4.601 10.156 ( 1.279 -3.133 -2.911) 4.464 10.156 ( -1.279 3.133 -2.911) 4.464 10.156 ( 1.622 3.172 -2.911) 4.601 10.743 ( -4.336 -3.533 0.170) 5.596 10.743 ( 4.313 -3.526 0.170) 5.573 10.743 ( -4.312 3.526 0.170) 5.573 10.743 ( 4.336 3.533 0.170) 5.596 13.101 ( -1.954 -31.871 -2.135) 32.002 13.101 ( 1.298 -31.863 -2.135) 31.961 13.101 ( -1.298 31.863 -2.135) 31.961 13.101 ( 1.954 31.871 -2.135) 32.002 14.022 ( -4.317 -5.735 2.618) 7.641 14.022 ( -0.158 -5.314 2.618) 5.926 14.022 ( 0.158 5.314 2.618) 5.926 14.022 ( 4.317 5.735 2.618) 7.641 15.165 ( -6.352 -6.381 2.935) 9.469 15.165 ( 0.004 -5.534 2.935) 6.264 15.165 ( -0.004 5.534 2.935) 6.264 15.165 ( 6.352 6.381 2.935) 9.469 17.298 ( -6.033 -0.389 -1.900) 6.337 17.298 ( -5.988 -0.132 -1.900) 6.284 17.298 ( 5.988 0.132 -1.900) 6.284 17.298 ( 6.033 0.389 -1.900) 6.337 =================== 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 3/25920 10.0 2867.948 3171.264 3524.022 0.000 0.000 -0.000 3/25920 20.0 260.235 278.965 279.437 0.000 0.000 -0.000 3/25920 30.0 84.636 94.176 92.250 0.000 0.000 -0.000 3/25920 40.0 42.826 48.603 47.318 0.000 0.000 -0.000 3/25920 50.0 27.204 31.075 30.286 0.000 0.000 -0.000 3/25920 60.0 19.666 22.432 21.964 0.000 0.000 -0.000 3/25920 70.0 15.376 17.447 17.183 0.000 0.000 -0.000 3/25920 80.0 12.642 14.250 14.115 0.000 0.000 -0.000 3/25920 90.0 10.753 12.040 11.988 0.000 0.000 -0.000 3/25920 100.0 9.369 10.426 10.428 0.000 0.000 -0.000 3/25920 110.0 8.311 9.197 9.235 0.000 0.000 -0.000 3/25920 120.0 7.474 8.231 8.293 0.000 0.000 -0.000 3/25920 130.0 6.796 7.453 7.530 0.000 0.000 -0.000 3/25920 140.0 6.234 6.812 6.899 0.000 0.000 -0.000 3/25920 150.0 5.760 6.275 6.369 0.000 0.000 -0.000 3/25920 160.0 5.356 5.819 5.916 0.000 0.000 -0.000 3/25920 170.0 5.007 5.426 5.526 0.000 0.000 -0.000 3/25920 180.0 4.702 5.085 5.186 0.000 0.000 -0.000 3/25920 190.0 4.433 4.785 4.886 0.000 0.000 -0.000 3/25920 200.0 4.194 4.520 4.621 0.000 0.000 -0.000 3/25920 210.0 3.980 4.284 4.383 0.000 0.000 -0.000 3/25920 220.0 3.788 4.072 4.169 0.000 0.000 -0.000 3/25920 230.0 3.614 3.880 3.976 0.000 0.000 -0.000 3/25920 240.0 3.455 3.706 3.801 0.000 0.000 -0.000 3/25920 250.0 3.311 3.548 3.640 0.000 0.000 -0.000 3/25920 260.0 3.178 3.403 3.493 0.000 0.000 -0.000 3/25920 270.0 3.055 3.269 3.358 0.000 0.000 -0.000 3/25920 280.0 2.942 3.146 3.233 0.000 0.000 -0.000 3/25920 290.0 2.837 3.032 3.117 0.000 0.000 -0.000 3/25920 300.0 2.740 2.926 3.009 0.000 0.000 -0.000 3/25920 310.0 2.649 2.828 2.909 0.000 0.000 -0.000 3/25920 320.0 2.564 2.736 2.815 0.000 0.000 -0.000 3/25920 330.0 2.485 2.650 2.727 0.000 0.000 -0.000 3/25920 340.0 2.410 2.569 2.645 0.000 0.000 -0.000 3/25920 350.0 2.340 2.493 2.567 0.000 0.000 -0.000 3/25920 360.0 2.273 2.422 2.494 0.000 0.000 -0.000 3/25920 370.0 2.211 2.354 2.425 0.000 0.000 -0.000 3/25920 380.0 2.152 2.290 2.360 0.000 0.000 -0.000 3/25920 390.0 2.096 2.230 2.299 0.000 0.000 -0.000 3/25920 400.0 2.042 2.173 2.240 0.000 0.000 -0.000 3/25920 410.0 1.992 2.119 2.184 0.000 0.000 -0.000 3/25920 420.0 1.944 2.067 2.131 0.000 0.000 -0.000 3/25920 430.0 1.898 2.018 2.081 0.000 0.000 -0.000 3/25920 440.0 1.854 1.971 2.033 0.000 0.000 -0.000 3/25920 450.0 1.813 1.926 1.987 0.000 0.000 -0.000 3/25920 460.0 1.773 1.884 1.943 0.000 0.000 -0.000 3/25920 470.0 1.735 1.843 1.902 0.000 0.000 -0.000 3/25920 480.0 1.698 1.804 1.861 0.000 0.000 -0.000 3/25920 490.0 1.663 1.767 1.823 0.000 0.000 -0.000 3/25920 500.0 1.630 1.731 1.786 0.000 0.000 -0.000 3/25920 510.0 1.597 1.696 1.751 0.000 0.000 -0.000 3/25920 520.0 1.566 1.663 1.717 0.000 0.000 -0.000 3/25920 530.0 1.537 1.631 1.684 0.000 0.000 -0.000 3/25920 540.0 1.508 1.601 1.653 0.000 0.000 -0.000 3/25920 550.0 1.480 1.571 1.622 0.000 0.000 -0.000 3/25920 560.0 1.454 1.543 1.593 0.000 0.000 -0.000 3/25920 570.0 1.428 1.515 1.565 0.000 0.000 -0.000 3/25920 580.0 1.403 1.489 1.538 0.000 0.000 -0.000 3/25920 590.0 1.379 1.463 1.511 0.000 0.000 -0.000 3/25920 600.0 1.356 1.439 1.486 0.000 0.000 -0.000 3/25920 610.0 1.334 1.415 1.461 0.000 0.000 -0.000 3/25920 620.0 1.312 1.392 1.438 0.000 0.000 -0.000 3/25920 630.0 1.291 1.370 1.415 0.000 0.000 -0.000 3/25920 640.0 1.271 1.348 1.392 0.000 0.000 -0.000 3/25920 650.0 1.251 1.327 1.371 0.000 0.000 -0.000 3/25920 660.0 1.232 1.307 1.350 0.000 0.000 -0.000 3/25920 670.0 1.214 1.287 1.330 0.000 0.000 -0.000 3/25920 680.0 1.196 1.268 1.310 0.000 0.000 -0.000 3/25920 690.0 1.179 1.250 1.291 0.000 0.000 -0.000 3/25920 700.0 1.162 1.232 1.272 0.000 0.000 -0.000 3/25920 710.0 1.145 1.214 1.254 0.000 0.000 -0.000 3/25920 720.0 1.129 1.197 1.237 0.000 0.000 -0.000 3/25920 730.0 1.114 1.181 1.220 0.000 0.000 -0.000 3/25920 740.0 1.099 1.165 1.203 0.000 0.000 -0.000 3/25920 750.0 1.084 1.149 1.187 0.000 0.000 -0.000 3/25920 760.0 1.070 1.134 1.171 0.000 0.000 -0.000 3/25920 770.0 1.056 1.119 1.156 0.000 0.000 -0.000 3/25920 780.0 1.042 1.104 1.141 0.000 0.000 -0.000 3/25920 790.0 1.029 1.090 1.127 0.000 0.000 -0.000 3/25920 800.0 1.016 1.077 1.113 0.000 0.000 -0.000 3/25920 810.0 1.003 1.063 1.099 0.000 0.000 -0.000 3/25920 820.0 0.991 1.050 1.085 0.000 0.000 -0.000 3/25920 830.0 0.979 1.038 1.072 0.000 0.000 -0.000 3/25920 840.0 0.968 1.025 1.059 0.000 0.000 -0.000 3/25920 850.0 0.956 1.013 1.047 0.000 0.000 -0.000 3/25920 860.0 0.945 1.001 1.035 0.000 0.000 -0.000 3/25920 870.0 0.934 0.990 1.023 0.000 0.000 -0.000 3/25920 880.0 0.923 0.978 1.011 0.000 0.000 -0.000 3/25920 890.0 0.913 0.967 1.000 0.000 0.000 -0.000 3/25920 900.0 0.903 0.956 0.989 0.000 0.000 -0.000 3/25920 910.0 0.893 0.946 0.978 0.000 0.000 -0.000 3/25920 920.0 0.883 0.936 0.967 0.000 0.000 -0.000 3/25920 930.0 0.874 0.926 0.957 0.000 0.000 -0.000 3/25920 940.0 0.864 0.916 0.946 0.000 0.000 -0.000 3/25920 950.0 0.855 0.906 0.936 0.000 0.000 -0.000 3/25920 960.0 0.846 0.896 0.927 0.000 0.000 -0.000 3/25920 970.0 0.838 0.887 0.917 0.000 0.000 -0.000 3/25920 980.0 0.829 0.878 0.908 0.000 0.000 -0.000 3/25920 990.0 0.821 0.869 0.898 0.000 0.000 -0.000 3/25920 1000.0 0.812 0.860 0.889 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m869.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:56:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|