----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:08:34]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.897879675204830 0.000000000000000 0.000000000000000 b 0.000000000000000 6.227552460000000 0.000000000000000 c -2.580612026672854 0.000000000000000 5.804438949202889 Atomic positions (fractional): *1 K 0.81969148092971 0.62938727659981 0.07261889774313 39.098 2 K 0.18030851907029 0.12938727659981 0.42738110225687 39.098 3 K 0.81969148092971 0.87061272340019 0.57261889774313 39.098 4 K 0.18030851907029 0.37061272340019 0.92738110225687 39.098 *5 Mg 0.66316514880728 0.39244415746398 0.42413575274480 24.305 6 Mg 0.66316514880728 0.10755584253601 0.92413575274480 24.305 7 Mg 0.33683485119272 0.89244415746398 0.07586424725520 24.305 8 Mg 0.33683485119272 0.60755584253602 0.57586424725520 24.305 *9 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 10 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 *11 O 0.58365090404631 0.14212720998583 0.20522440238004 15.999 12 O 0.41634909595369 0.64212720998583 0.29477559761996 15.999 13 O 0.58365090404631 0.35787279001417 0.70522440238004 15.999 14 O 0.41634909595369 0.85787279001417 0.79477559761996 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.897879675204830 0.000000000000000 0.000000000000000 b 0.000000000000000 6.227552460000000 0.000000000000000 c -2.580612026672854 0.000000000000000 5.804438949202889 Atomic positions (fractional): *1 K 0.81969148092971 0.62938727659981 0.07261889774313 39.098 > 1 2 K 0.18030851907029 0.12938727659981 0.42738110225687 39.098 > 2 3 K 0.81969148092971 0.87061272340019 0.57261889774313 39.098 > 3 4 K 0.18030851907029 0.37061272340019 0.92738110225687 39.098 > 4 *5 Mg 0.66316514880728 0.39244415746398 0.42413575274480 24.305 > 5 6 Mg 0.66316514880728 0.10755584253601 0.92413575274480 24.305 > 6 7 Mg 0.33683485119272 0.89244415746398 0.07586424725520 24.305 > 7 8 Mg 0.33683485119272 0.60755584253602 0.57586424725520 24.305 > 8 *9 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 9 10 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 10 *11 O 0.58365090404631 0.14212720998583 0.20522440238004 15.999 > 11 12 O 0.41634909595369 0.64212720998583 0.29477559761996 15.999 > 12 13 O 0.58365090404631 0.35787279001417 0.70522440238004 15.999 > 13 14 O 0.41634909595369 0.85787279001417 0.79477559761996 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.795759350409661 0.000000000000000 0.000000000000000 b 0.000000000000000 12.455104920000000 0.000000000000000 c -5.161224053345708 0.000000000000000 11.608877898405778 Atomic positions (fractional): *1 K 0.40984574046486 0.31469363829991 0.03630944887157 39.098 > 1 2 K 0.90984574046486 0.31469363829991 0.03630944887157 39.098 > 1 3 K 0.40984574046486 0.81469363829991 0.03630944887157 39.098 > 1 4 K 0.90984574046486 0.81469363829991 0.03630944887157 39.098 > 1 5 K 0.40984574046486 0.31469363829991 0.53630944887157 39.098 > 1 6 K 0.90984574046486 0.31469363829991 0.53630944887157 39.098 > 1 7 K 0.40984574046486 0.81469363829991 0.53630944887157 39.098 > 1 8 K 0.90984574046486 0.81469363829991 0.53630944887157 39.098 > 1 9 K 0.09015425953514 0.06469363829991 0.21369055112843 39.098 > 2 10 K 0.59015425953514 0.06469363829991 0.21369055112843 39.098 > 2 11 K 0.09015425953514 0.56469363829991 0.21369055112843 39.098 > 2 12 K 0.59015425953514 0.56469363829991 0.21369055112843 39.098 > 2 13 K 0.09015425953514 0.06469363829991 0.71369055112843 39.098 > 2 14 K 0.59015425953514 0.06469363829991 0.71369055112843 39.098 > 2 15 K 0.09015425953514 0.56469363829991 0.71369055112843 39.098 > 2 16 K 0.59015425953514 0.56469363829991 0.71369055112843 39.098 > 2 17 K 0.40984574046486 0.43530636170009 0.28630944887157 39.098 > 3 18 K 0.90984574046486 0.43530636170009 0.28630944887157 39.098 > 3 19 K 0.40984574046486 0.93530636170009 0.28630944887157 39.098 > 3 20 K 0.90984574046486 0.93530636170009 0.28630944887157 39.098 > 3 21 K 0.40984574046486 0.43530636170009 0.78630944887157 39.098 > 3 22 K 0.90984574046486 0.43530636170009 0.78630944887157 39.098 > 3 23 K 0.40984574046486 0.93530636170009 0.78630944887157 39.098 > 3 24 K 0.90984574046486 0.93530636170009 0.78630944887157 39.098 > 3 25 K 0.09015425953514 0.18530636170009 0.46369055112843 39.098 > 4 26 K 0.59015425953514 0.18530636170009 0.46369055112843 39.098 > 4 27 K 0.09015425953514 0.68530636170009 0.46369055112843 39.098 > 4 28 K 0.59015425953514 0.68530636170009 0.46369055112843 39.098 > 4 29 K 0.09015425953514 0.18530636170009 0.96369055112843 39.098 > 4 30 K 0.59015425953514 0.18530636170009 0.96369055112843 39.098 > 4 31 K 0.09015425953514 0.68530636170009 0.96369055112843 39.098 > 4 32 K 0.59015425953514 0.68530636170009 0.96369055112843 39.098 > 4 *33 Mg 0.33158257440364 0.19622207873199 0.21206787637240 24.305 > 5 34 Mg 0.83158257440364 0.19622207873199 0.21206787637240 24.305 > 5 35 Mg 0.33158257440364 0.69622207873199 0.21206787637240 24.305 > 5 36 Mg 0.83158257440364 0.69622207873199 0.21206787637240 24.305 > 5 37 Mg 0.33158257440364 0.19622207873199 0.71206787637240 24.305 > 5 38 Mg 0.83158257440364 0.19622207873199 0.71206787637240 24.305 > 5 39 Mg 0.33158257440364 0.69622207873199 0.71206787637240 24.305 > 5 40 Mg 0.83158257440364 0.69622207873199 0.71206787637240 24.305 > 5 41 Mg 0.33158257440364 0.05377792126801 0.46206787637240 24.305 > 6 42 Mg 0.83158257440364 0.05377792126801 0.46206787637240 24.305 > 6 43 Mg 0.33158257440364 0.55377792126801 0.46206787637240 24.305 > 6 44 Mg 0.83158257440364 0.55377792126801 0.46206787637240 24.305 > 6 45 Mg 0.33158257440364 0.05377792126801 0.96206787637240 24.305 > 6 46 Mg 0.83158257440364 0.05377792126801 0.96206787637240 24.305 > 6 47 Mg 0.33158257440364 0.55377792126801 0.96206787637240 24.305 > 6 48 Mg 0.83158257440364 0.55377792126801 0.96206787637240 24.305 > 6 49 Mg 0.16841742559636 0.44622207873199 0.03793212362760 24.305 > 7 50 Mg 0.66841742559636 0.44622207873199 0.03793212362760 24.305 > 7 51 Mg 0.16841742559636 0.94622207873199 0.03793212362760 24.305 > 7 52 Mg 0.66841742559636 0.94622207873199 0.03793212362760 24.305 > 7 53 Mg 0.16841742559636 0.44622207873199 0.53793212362760 24.305 > 7 54 Mg 0.66841742559636 0.44622207873199 0.53793212362760 24.305 > 7 55 Mg 0.16841742559636 0.94622207873199 0.53793212362760 24.305 > 7 56 Mg 0.66841742559636 0.94622207873199 0.53793212362760 24.305 > 7 57 Mg 0.16841742559636 0.30377792126801 0.28793212362760 24.305 > 8 58 Mg 0.66841742559636 0.30377792126801 0.28793212362760 24.305 > 8 59 Mg 0.16841742559636 0.80377792126801 0.28793212362760 24.305 > 8 60 Mg 0.66841742559636 0.80377792126801 0.28793212362760 24.305 > 8 61 Mg 0.16841742559636 0.30377792126801 0.78793212362760 24.305 > 8 62 Mg 0.66841742559636 0.30377792126801 0.78793212362760 24.305 > 8 63 Mg 0.16841742559636 0.80377792126801 0.78793212362760 24.305 > 8 64 Mg 0.66841742559636 0.80377792126801 0.78793212362760 24.305 > 8 *65 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 9 66 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 9 67 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 9 68 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 9 69 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 9 70 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 9 71 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 9 72 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 9 73 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 10 74 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 10 75 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 10 76 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 10 77 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 10 78 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 10 79 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 10 80 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 10 *81 O 0.29182545202315 0.07106360499292 0.10261220119002 15.999 > 11 82 O 0.79182545202315 0.07106360499292 0.10261220119002 15.999 > 11 83 O 0.29182545202315 0.57106360499292 0.10261220119002 15.999 > 11 84 O 0.79182545202315 0.57106360499292 0.10261220119002 15.999 > 11 85 O 0.29182545202315 0.07106360499292 0.60261220119002 15.999 > 11 86 O 0.79182545202315 0.07106360499292 0.60261220119002 15.999 > 11 87 O 0.29182545202315 0.57106360499292 0.60261220119002 15.999 > 11 88 O 0.79182545202315 0.57106360499292 0.60261220119002 15.999 > 11 89 O 0.20817454797685 0.32106360499292 0.14738779880998 15.999 > 12 90 O 0.70817454797685 0.32106360499292 0.14738779880998 15.999 > 12 91 O 0.20817454797685 0.82106360499292 0.14738779880998 15.999 > 12 92 O 0.70817454797685 0.82106360499292 0.14738779880998 15.999 > 12 93 O 0.20817454797685 0.32106360499292 0.64738779880998 15.999 > 12 94 O 0.70817454797685 0.32106360499292 0.64738779880998 15.999 > 12 95 O 0.20817454797685 0.82106360499292 0.64738779880998 15.999 > 12 96 O 0.70817454797685 0.82106360499292 0.64738779880998 15.999 > 12 97 O 0.29182545202315 0.17893639500708 0.35261220119002 15.999 > 13 98 O 0.79182545202315 0.17893639500708 0.35261220119002 15.999 > 13 99 O 0.29182545202315 0.67893639500708 0.35261220119002 15.999 > 13 100 O 0.79182545202315 0.67893639500708 0.35261220119002 15.999 > 13 101 O 0.29182545202315 0.17893639500708 0.85261220119002 15.999 > 13 102 O 0.79182545202315 0.17893639500708 0.85261220119002 15.999 > 13 103 O 0.29182545202315 0.67893639500708 0.85261220119002 15.999 > 13 104 O 0.79182545202315 0.67893639500708 0.85261220119002 15.999 > 13 105 O 0.20817454797685 0.42893639500708 0.39738779880998 15.999 > 14 106 O 0.70817454797685 0.42893639500708 0.39738779880998 15.999 > 14 107 O 0.20817454797685 0.92893639500708 0.39738779880998 15.999 > 14 108 O 0.70817454797685 0.92893639500708 0.39738779880998 15.999 > 14 109 O 0.20817454797685 0.42893639500708 0.89738779880998 15.999 > 14 110 O 0.70817454797685 0.42893639500708 0.89738779880998 15.999 > 14 111 O 0.20817454797685 0.92893639500708 0.89738779880998 15.999 > 14 112 O 0.70817454797685 0.92893639500708 0.89738779880998 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0203615 0.0000000 -0.0148298 0.0000000 3.0787846 0.0000000 -0.0148298 0.0000000 3.0392626 -------------------------- Born effective charges -------------------------- 1 K 1.0788815 0.0239548 0.0558034 0.0292517 1.1213736 -0.0564594 0.0613725 -0.0499336 1.1574223 2 K 1.0788815 -0.0239548 0.0558034 -0.0292517 1.1213736 0.0564594 0.0613725 0.0499336 1.1574223 3 K 1.0788815 -0.0239548 0.0558034 -0.0292517 1.1213736 0.0564594 0.0613725 0.0499336 1.1574223 4 K 1.0788815 0.0239548 0.0558034 0.0292517 1.1213736 -0.0564594 0.0613725 -0.0499336 1.1574223 5 Mg 1.7793749 -0.0495978 -0.0444635 -0.0190852 1.7155115 0.0321778 -0.0439261 0.0826962 1.6809353 6 Mg 1.7793749 0.0495978 -0.0444635 0.0190852 1.7155115 -0.0321778 -0.0439261 -0.0826962 1.6809353 7 Mg 1.7793749 0.0495978 -0.0444635 0.0190852 1.7155115 -0.0321778 -0.0439261 -0.0826962 1.6809353 8 Mg 1.7793749 -0.0495978 -0.0444635 -0.0190852 1.7155115 0.0321778 -0.0439261 0.0826962 1.6809353 9 O -2.1718057 -0.0693255 -0.1449582 -0.0594338 -1.8169224 0.0295934 -0.1068674 -0.0409213 -1.7816240 10 O -2.1718057 0.0693255 -0.1449582 0.0594338 -1.8169224 -0.0295934 -0.1068674 0.0409213 -1.7816240 11 O -1.7723535 -0.0702692 0.0611392 -0.0586116 -1.9284239 -0.2613254 0.0359873 -0.1878347 -1.9475456 12 O -1.7723535 0.0702692 0.0611392 0.0586116 -1.9284239 0.2613254 0.0359873 0.1878347 -1.9475456 13 O -1.7723535 0.0702692 0.0611392 0.0586116 -1.9284239 0.2613254 0.0359873 0.1878347 -1.9475456 14 O -1.7723535 -0.0702692 0.0611392 -0.0586116 -1.9284239 -0.2613254 0.0359873 -0.1878347 -1.9475456 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 388), data: True |-- (396, 389), data: True |-- (396, 388), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 2.949 Solver_block: 200 / 480 - Time: 2.969 Solver_block: 300 / 480 - Time: 2.966 Solver_block: 400 / 480 - Time: 2.966 Solver_block: 480 / 480 - Time: 2.399 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.301 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 388), data: True |-- (396, 389), data: True |-- (396, 388), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:09:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:09:09]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.897879675204830 0.000000000000000 0.000000000000000 b 0.000000000000000 6.227552460000000 0.000000000000000 c -2.580612026672854 0.000000000000000 5.804438949202889 Atomic positions (fractional): 1 K 0.81969148092971 0.62938727659981 0.07261889774313 39.098 2 K 0.18030851907029 0.12938727659981 0.42738110225687 39.098 3 K 0.81969148092971 0.87061272340019 0.57261889774313 39.098 4 K 0.18030851907029 0.37061272340019 0.92738110225687 39.098 5 Mg 0.66316514880728 0.39244415746398 0.42413575274480 24.305 6 Mg 0.66316514880728 0.10755584253601 0.92413575274480 24.305 7 Mg 0.33683485119272 0.89244415746398 0.07586424725520 24.305 8 Mg 0.33683485119272 0.60755584253602 0.57586424725520 24.305 9 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 10 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 11 O 0.58365090404631 0.14212720998583 0.20522440238004 15.999 12 O 0.41634909595369 0.64212720998583 0.29477559761996 15.999 13 O 0.58365090404631 0.35787279001417 0.70522440238004 15.999 14 O 0.41634909595369 0.85787279001417 0.79477559761996 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.795759350409661 0.000000000000000 0.000000000000000 b 0.000000000000000 12.455104920000000 0.000000000000000 c -5.161224053345708 0.000000000000000 11.608877898405778 Atomic positions (fractional): 1 K 0.40984574046486 0.31469363829991 0.03630944887157 39.098 > 1 2 K 0.90984574046486 0.31469363829991 0.03630944887157 39.098 > 1 3 K 0.40984574046486 0.81469363829991 0.03630944887157 39.098 > 1 4 K 0.90984574046486 0.81469363829991 0.03630944887157 39.098 > 1 5 K 0.40984574046486 0.31469363829991 0.53630944887157 39.098 > 1 6 K 0.90984574046486 0.31469363829991 0.53630944887157 39.098 > 1 7 K 0.40984574046486 0.81469363829991 0.53630944887157 39.098 > 1 8 K 0.90984574046486 0.81469363829991 0.53630944887157 39.098 > 1 9 K 0.09015425953514 0.06469363829991 0.21369055112843 39.098 > 9 10 K 0.59015425953514 0.06469363829991 0.21369055112843 39.098 > 9 11 K 0.09015425953514 0.56469363829991 0.21369055112843 39.098 > 9 12 K 0.59015425953514 0.56469363829991 0.21369055112843 39.098 > 9 13 K 0.09015425953514 0.06469363829991 0.71369055112843 39.098 > 9 14 K 0.59015425953514 0.06469363829991 0.71369055112843 39.098 > 9 15 K 0.09015425953514 0.56469363829991 0.71369055112843 39.098 > 9 16 K 0.59015425953514 0.56469363829991 0.71369055112843 39.098 > 9 17 K 0.40984574046486 0.43530636170009 0.28630944887157 39.098 > 17 18 K 0.90984574046486 0.43530636170009 0.28630944887157 39.098 > 17 19 K 0.40984574046486 0.93530636170009 0.28630944887157 39.098 > 17 20 K 0.90984574046486 0.93530636170009 0.28630944887157 39.098 > 17 21 K 0.40984574046486 0.43530636170009 0.78630944887157 39.098 > 17 22 K 0.90984574046486 0.43530636170009 0.78630944887157 39.098 > 17 23 K 0.40984574046486 0.93530636170009 0.78630944887157 39.098 > 17 24 K 0.90984574046486 0.93530636170009 0.78630944887157 39.098 > 17 25 K 0.09015425953514 0.18530636170009 0.46369055112843 39.098 > 25 26 K 0.59015425953514 0.18530636170009 0.46369055112843 39.098 > 25 27 K 0.09015425953514 0.68530636170009 0.46369055112843 39.098 > 25 28 K 0.59015425953514 0.68530636170009 0.46369055112843 39.098 > 25 29 K 0.09015425953514 0.18530636170009 0.96369055112843 39.098 > 25 30 K 0.59015425953514 0.18530636170009 0.96369055112843 39.098 > 25 31 K 0.09015425953514 0.68530636170009 0.96369055112843 39.098 > 25 32 K 0.59015425953514 0.68530636170009 0.96369055112843 39.098 > 25 33 Mg 0.33158257440364 0.19622207873199 0.21206787637240 24.305 > 33 34 Mg 0.83158257440364 0.19622207873199 0.21206787637240 24.305 > 33 35 Mg 0.33158257440364 0.69622207873199 0.21206787637240 24.305 > 33 36 Mg 0.83158257440364 0.69622207873199 0.21206787637240 24.305 > 33 37 Mg 0.33158257440364 0.19622207873199 0.71206787637240 24.305 > 33 38 Mg 0.83158257440364 0.19622207873199 0.71206787637240 24.305 > 33 39 Mg 0.33158257440364 0.69622207873199 0.71206787637240 24.305 > 33 40 Mg 0.83158257440364 0.69622207873199 0.71206787637240 24.305 > 33 41 Mg 0.33158257440364 0.05377792126801 0.46206787637240 24.305 > 41 42 Mg 0.83158257440364 0.05377792126801 0.46206787637240 24.305 > 41 43 Mg 0.33158257440364 0.55377792126801 0.46206787637240 24.305 > 41 44 Mg 0.83158257440364 0.55377792126801 0.46206787637240 24.305 > 41 45 Mg 0.33158257440364 0.05377792126801 0.96206787637240 24.305 > 41 46 Mg 0.83158257440364 0.05377792126801 0.96206787637240 24.305 > 41 47 Mg 0.33158257440364 0.55377792126801 0.96206787637240 24.305 > 41 48 Mg 0.83158257440364 0.55377792126801 0.96206787637240 24.305 > 41 49 Mg 0.16841742559636 0.44622207873199 0.03793212362760 24.305 > 49 50 Mg 0.66841742559636 0.44622207873199 0.03793212362760 24.305 > 49 51 Mg 0.16841742559636 0.94622207873199 0.03793212362760 24.305 > 49 52 Mg 0.66841742559636 0.94622207873199 0.03793212362760 24.305 > 49 53 Mg 0.16841742559636 0.44622207873199 0.53793212362760 24.305 > 49 54 Mg 0.66841742559636 0.44622207873199 0.53793212362760 24.305 > 49 55 Mg 0.16841742559636 0.94622207873199 0.53793212362760 24.305 > 49 56 Mg 0.66841742559636 0.94622207873199 0.53793212362760 24.305 > 49 57 Mg 0.16841742559636 0.30377792126801 0.28793212362760 24.305 > 57 58 Mg 0.66841742559636 0.30377792126801 0.28793212362760 24.305 > 57 59 Mg 0.16841742559636 0.80377792126801 0.28793212362760 24.305 > 57 60 Mg 0.66841742559636 0.80377792126801 0.28793212362760 24.305 > 57 61 Mg 0.16841742559636 0.30377792126801 0.78793212362760 24.305 > 57 62 Mg 0.66841742559636 0.30377792126801 0.78793212362760 24.305 > 57 63 Mg 0.16841742559636 0.80377792126801 0.78793212362760 24.305 > 57 64 Mg 0.66841742559636 0.80377792126801 0.78793212362760 24.305 > 57 65 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 65 66 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 65 67 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 65 68 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 65 69 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 65 70 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 65 71 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 65 72 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 65 73 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 73 78 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 73 79 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 73 80 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 73 81 O 0.29182545202315 0.07106360499292 0.10261220119002 15.999 > 81 82 O 0.79182545202315 0.07106360499292 0.10261220119002 15.999 > 81 83 O 0.29182545202315 0.57106360499292 0.10261220119002 15.999 > 81 84 O 0.79182545202315 0.57106360499292 0.10261220119002 15.999 > 81 85 O 0.29182545202315 0.07106360499292 0.60261220119002 15.999 > 81 86 O 0.79182545202315 0.07106360499292 0.60261220119002 15.999 > 81 87 O 0.29182545202315 0.57106360499292 0.60261220119002 15.999 > 81 88 O 0.79182545202315 0.57106360499292 0.60261220119002 15.999 > 81 89 O 0.20817454797685 0.32106360499292 0.14738779880998 15.999 > 89 90 O 0.70817454797685 0.32106360499292 0.14738779880998 15.999 > 89 91 O 0.20817454797685 0.82106360499292 0.14738779880998 15.999 > 89 92 O 0.70817454797685 0.82106360499292 0.14738779880998 15.999 > 89 93 O 0.20817454797685 0.32106360499292 0.64738779880998 15.999 > 89 94 O 0.70817454797685 0.32106360499292 0.64738779880998 15.999 > 89 95 O 0.20817454797685 0.82106360499292 0.64738779880998 15.999 > 89 96 O 0.70817454797685 0.82106360499292 0.64738779880998 15.999 > 89 97 O 0.29182545202315 0.17893639500708 0.35261220119002 15.999 > 97 98 O 0.79182545202315 0.17893639500708 0.35261220119002 15.999 > 97 99 O 0.29182545202315 0.67893639500708 0.35261220119002 15.999 > 97 100 O 0.79182545202315 0.67893639500708 0.35261220119002 15.999 > 97 101 O 0.29182545202315 0.17893639500708 0.85261220119002 15.999 > 97 102 O 0.79182545202315 0.17893639500708 0.85261220119002 15.999 > 97 103 O 0.29182545202315 0.67893639500708 0.85261220119002 15.999 > 97 104 O 0.79182545202315 0.67893639500708 0.85261220119002 15.999 > 97 105 O 0.20817454797685 0.42893639500708 0.39738779880998 15.999 > 105 106 O 0.70817454797685 0.42893639500708 0.39738779880998 15.999 > 105 107 O 0.20817454797685 0.92893639500708 0.39738779880998 15.999 > 105 108 O 0.70817454797685 0.92893639500708 0.39738779880998 15.999 > 105 109 O 0.20817454797685 0.42893639500708 0.89738779880998 15.999 > 105 110 O 0.70817454797685 0.42893639500708 0.89738779880998 15.999 > 105 111 O 0.20817454797685 0.92893639500708 0.89738779880998 15.999 > 105 112 O 0.70817454797685 0.92893639500708 0.89738779880998 15.999 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0203615 0.0000000 -0.0148298 0.0000000 3.0787846 0.0000000 -0.0148298 0.0000000 3.0392626 -------------------------- Born effective charges -------------------------- 1 K 1.0788815 0.0239548 0.0558034 0.0292517 1.1213736 -0.0564594 0.0613725 -0.0499336 1.1574223 2 K 1.0788815 -0.0239548 0.0558034 -0.0292517 1.1213736 0.0564594 0.0613725 0.0499336 1.1574223 3 K 1.0788815 -0.0239548 0.0558034 -0.0292517 1.1213736 0.0564594 0.0613725 0.0499336 1.1574223 4 K 1.0788815 0.0239548 0.0558034 0.0292517 1.1213736 -0.0564594 0.0613725 -0.0499336 1.1574223 5 Mg 1.7793749 -0.0495978 -0.0444635 -0.0190852 1.7155115 0.0321778 -0.0439261 0.0826962 1.6809353 6 Mg 1.7793749 0.0495978 -0.0444635 0.0190852 1.7155115 -0.0321778 -0.0439261 -0.0826962 1.6809353 7 Mg 1.7793749 0.0495978 -0.0444635 0.0190852 1.7155115 -0.0321778 -0.0439261 -0.0826962 1.6809353 8 Mg 1.7793749 -0.0495978 -0.0444635 -0.0190852 1.7155115 0.0321778 -0.0439261 0.0826962 1.6809353 9 O -2.1718057 -0.0693255 -0.1449582 -0.0594338 -1.8169224 0.0295934 -0.1068674 -0.0409213 -1.7816240 10 O -2.1718057 0.0693255 -0.1449582 0.0594338 -1.8169224 -0.0295934 -0.1068674 0.0409213 -1.7816240 11 O -1.7723535 -0.0702692 0.0611392 -0.0586116 -1.9284239 -0.2613254 0.0359873 -0.1878347 -1.9475456 12 O -1.7723535 0.0702692 0.0611392 0.0586116 -1.9284239 0.2613254 0.0359873 0.1878347 -1.9475456 13 O -1.7723535 0.0702692 0.0611392 0.0586116 -1.9284239 0.2613254 0.0359873 0.1878347 -1.9475456 14 O -1.7723535 -0.0702692 0.0611392 -0.0586116 -1.9284239 -0.2613254 0.0359873 -0.1878347 -1.9475456 ---------------------------------------------------------------------------- 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 81, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:09:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:09:27]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.897879675204830 0.000000000000000 0.000000000000000 b 0.000000000000000 6.227552460000000 0.000000000000000 c -2.580612026672854 0.000000000000000 5.804438949202889 Atomic positions (fractional): 1 K 0.81969148092971 0.62938727659981 0.07261889774313 39.098 2 K 0.18030851907029 0.12938727659981 0.42738110225687 39.098 3 K 0.81969148092971 0.87061272340019 0.57261889774313 39.098 4 K 0.18030851907029 0.37061272340019 0.92738110225687 39.098 5 Mg 0.66316514880728 0.39244415746398 0.42413575274480 24.305 6 Mg 0.66316514880728 0.10755584253601 0.92413575274480 24.305 7 Mg 0.33683485119272 0.89244415746398 0.07586424725520 24.305 8 Mg 0.33683485119272 0.60755584253602 0.57586424725520 24.305 9 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 10 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 11 O 0.58365090404631 0.14212720998583 0.20522440238004 15.999 12 O 0.41634909595369 0.64212720998583 0.29477559761996 15.999 13 O 0.58365090404631 0.35787279001417 0.70522440238004 15.999 14 O 0.41634909595369 0.85787279001417 0.79477559761996 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.795759350409661 0.000000000000000 0.000000000000000 b 0.000000000000000 12.455104920000000 0.000000000000000 c -5.161224053345708 0.000000000000000 11.608877898405778 Atomic positions (fractional): 1 K 0.40984574046486 0.31469363829991 0.03630944887157 39.098 > 1 2 K 0.90984574046486 0.31469363829991 0.03630944887157 39.098 > 1 3 K 0.40984574046486 0.81469363829991 0.03630944887157 39.098 > 1 4 K 0.90984574046486 0.81469363829991 0.03630944887157 39.098 > 1 5 K 0.40984574046486 0.31469363829991 0.53630944887157 39.098 > 1 6 K 0.90984574046486 0.31469363829991 0.53630944887157 39.098 > 1 7 K 0.40984574046486 0.81469363829991 0.53630944887157 39.098 > 1 8 K 0.90984574046486 0.81469363829991 0.53630944887157 39.098 > 1 9 K 0.09015425953514 0.06469363829991 0.21369055112843 39.098 > 9 10 K 0.59015425953514 0.06469363829991 0.21369055112843 39.098 > 9 11 K 0.09015425953514 0.56469363829991 0.21369055112843 39.098 > 9 12 K 0.59015425953514 0.56469363829991 0.21369055112843 39.098 > 9 13 K 0.09015425953514 0.06469363829991 0.71369055112843 39.098 > 9 14 K 0.59015425953514 0.06469363829991 0.71369055112843 39.098 > 9 15 K 0.09015425953514 0.56469363829991 0.71369055112843 39.098 > 9 16 K 0.59015425953514 0.56469363829991 0.71369055112843 39.098 > 9 17 K 0.40984574046486 0.43530636170009 0.28630944887157 39.098 > 17 18 K 0.90984574046486 0.43530636170009 0.28630944887157 39.098 > 17 19 K 0.40984574046486 0.93530636170009 0.28630944887157 39.098 > 17 20 K 0.90984574046486 0.93530636170009 0.28630944887157 39.098 > 17 21 K 0.40984574046486 0.43530636170009 0.78630944887157 39.098 > 17 22 K 0.90984574046486 0.43530636170009 0.78630944887157 39.098 > 17 23 K 0.40984574046486 0.93530636170009 0.78630944887157 39.098 > 17 24 K 0.90984574046486 0.93530636170009 0.78630944887157 39.098 > 17 25 K 0.09015425953514 0.18530636170009 0.46369055112843 39.098 > 25 26 K 0.59015425953514 0.18530636170009 0.46369055112843 39.098 > 25 27 K 0.09015425953514 0.68530636170009 0.46369055112843 39.098 > 25 28 K 0.59015425953514 0.68530636170009 0.46369055112843 39.098 > 25 29 K 0.09015425953514 0.18530636170009 0.96369055112843 39.098 > 25 30 K 0.59015425953514 0.18530636170009 0.96369055112843 39.098 > 25 31 K 0.09015425953514 0.68530636170009 0.96369055112843 39.098 > 25 32 K 0.59015425953514 0.68530636170009 0.96369055112843 39.098 > 25 33 Mg 0.33158257440364 0.19622207873199 0.21206787637240 24.305 > 33 34 Mg 0.83158257440364 0.19622207873199 0.21206787637240 24.305 > 33 35 Mg 0.33158257440364 0.69622207873199 0.21206787637240 24.305 > 33 36 Mg 0.83158257440364 0.69622207873199 0.21206787637240 24.305 > 33 37 Mg 0.33158257440364 0.19622207873199 0.71206787637240 24.305 > 33 38 Mg 0.83158257440364 0.19622207873199 0.71206787637240 24.305 > 33 39 Mg 0.33158257440364 0.69622207873199 0.71206787637240 24.305 > 33 40 Mg 0.83158257440364 0.69622207873199 0.71206787637240 24.305 > 33 41 Mg 0.33158257440364 0.05377792126801 0.46206787637240 24.305 > 41 42 Mg 0.83158257440364 0.05377792126801 0.46206787637240 24.305 > 41 43 Mg 0.33158257440364 0.55377792126801 0.46206787637240 24.305 > 41 44 Mg 0.83158257440364 0.55377792126801 0.46206787637240 24.305 > 41 45 Mg 0.33158257440364 0.05377792126801 0.96206787637240 24.305 > 41 46 Mg 0.83158257440364 0.05377792126801 0.96206787637240 24.305 > 41 47 Mg 0.33158257440364 0.55377792126801 0.96206787637240 24.305 > 41 48 Mg 0.83158257440364 0.55377792126801 0.96206787637240 24.305 > 41 49 Mg 0.16841742559636 0.44622207873199 0.03793212362760 24.305 > 49 50 Mg 0.66841742559636 0.44622207873199 0.03793212362760 24.305 > 49 51 Mg 0.16841742559636 0.94622207873199 0.03793212362760 24.305 > 49 52 Mg 0.66841742559636 0.94622207873199 0.03793212362760 24.305 > 49 53 Mg 0.16841742559636 0.44622207873199 0.53793212362760 24.305 > 49 54 Mg 0.66841742559636 0.44622207873199 0.53793212362760 24.305 > 49 55 Mg 0.16841742559636 0.94622207873199 0.53793212362760 24.305 > 49 56 Mg 0.66841742559636 0.94622207873199 0.53793212362760 24.305 > 49 57 Mg 0.16841742559636 0.30377792126801 0.28793212362760 24.305 > 57 58 Mg 0.66841742559636 0.30377792126801 0.28793212362760 24.305 > 57 59 Mg 0.16841742559636 0.80377792126801 0.28793212362760 24.305 > 57 60 Mg 0.66841742559636 0.80377792126801 0.28793212362760 24.305 > 57 61 Mg 0.16841742559636 0.30377792126801 0.78793212362760 24.305 > 57 62 Mg 0.66841742559636 0.30377792126801 0.78793212362760 24.305 > 57 63 Mg 0.16841742559636 0.80377792126801 0.78793212362760 24.305 > 57 64 Mg 0.66841742559636 0.80377792126801 0.78793212362760 24.305 > 57 65 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 65 66 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 65 67 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 65 68 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 65 69 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 65 70 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 65 71 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 65 72 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 65 73 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 73 78 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 73 79 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 73 80 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 73 81 O 0.29182545202315 0.07106360499292 0.10261220119002 15.999 > 81 82 O 0.79182545202315 0.07106360499292 0.10261220119002 15.999 > 81 83 O 0.29182545202315 0.57106360499292 0.10261220119002 15.999 > 81 84 O 0.79182545202315 0.57106360499292 0.10261220119002 15.999 > 81 85 O 0.29182545202315 0.07106360499292 0.60261220119002 15.999 > 81 86 O 0.79182545202315 0.07106360499292 0.60261220119002 15.999 > 81 87 O 0.29182545202315 0.57106360499292 0.60261220119002 15.999 > 81 88 O 0.79182545202315 0.57106360499292 0.60261220119002 15.999 > 81 89 O 0.20817454797685 0.32106360499292 0.14738779880998 15.999 > 89 90 O 0.70817454797685 0.32106360499292 0.14738779880998 15.999 > 89 91 O 0.20817454797685 0.82106360499292 0.14738779880998 15.999 > 89 92 O 0.70817454797685 0.82106360499292 0.14738779880998 15.999 > 89 93 O 0.20817454797685 0.32106360499292 0.64738779880998 15.999 > 89 94 O 0.70817454797685 0.32106360499292 0.64738779880998 15.999 > 89 95 O 0.20817454797685 0.82106360499292 0.64738779880998 15.999 > 89 96 O 0.70817454797685 0.82106360499292 0.64738779880998 15.999 > 89 97 O 0.29182545202315 0.17893639500708 0.35261220119002 15.999 > 97 98 O 0.79182545202315 0.17893639500708 0.35261220119002 15.999 > 97 99 O 0.29182545202315 0.67893639500708 0.35261220119002 15.999 > 97 100 O 0.79182545202315 0.67893639500708 0.35261220119002 15.999 > 97 101 O 0.29182545202315 0.17893639500708 0.85261220119002 15.999 > 97 102 O 0.79182545202315 0.17893639500708 0.85261220119002 15.999 > 97 103 O 0.29182545202315 0.67893639500708 0.85261220119002 15.999 > 97 104 O 0.79182545202315 0.67893639500708 0.85261220119002 15.999 > 97 105 O 0.20817454797685 0.42893639500708 0.39738779880998 15.999 > 105 106 O 0.70817454797685 0.42893639500708 0.39738779880998 15.999 > 105 107 O 0.20817454797685 0.92893639500708 0.39738779880998 15.999 > 105 108 O 0.70817454797685 0.92893639500708 0.39738779880998 15.999 > 105 109 O 0.20817454797685 0.42893639500708 0.89738779880998 15.999 > 105 110 O 0.70817454797685 0.42893639500708 0.89738779880998 15.999 > 105 111 O 0.20817454797685 0.92893639500708 0.89738779880998 15.999 > 105 112 O 0.70817454797685 0.92893639500708 0.89738779880998 15.999 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0203615 0.0000000 -0.0148298 0.0000000 3.0787846 0.0000000 -0.0148298 0.0000000 3.0392626 -------------------------- Born effective charges -------------------------- 1 K 1.0788815 0.0239548 0.0558034 0.0292517 1.1213736 -0.0564594 0.0613725 -0.0499336 1.1574223 2 K 1.0788815 -0.0239548 0.0558034 -0.0292517 1.1213736 0.0564594 0.0613725 0.0499336 1.1574223 3 K 1.0788815 -0.0239548 0.0558034 -0.0292517 1.1213736 0.0564594 0.0613725 0.0499336 1.1574223 4 K 1.0788815 0.0239548 0.0558034 0.0292517 1.1213736 -0.0564594 0.0613725 -0.0499336 1.1574223 5 Mg 1.7793749 -0.0495978 -0.0444635 -0.0190852 1.7155115 0.0321778 -0.0439261 0.0826962 1.6809353 6 Mg 1.7793749 0.0495978 -0.0444635 0.0190852 1.7155115 -0.0321778 -0.0439261 -0.0826962 1.6809353 7 Mg 1.7793749 0.0495978 -0.0444635 0.0190852 1.7155115 -0.0321778 -0.0439261 -0.0826962 1.6809353 8 Mg 1.7793749 -0.0495978 -0.0444635 -0.0190852 1.7155115 0.0321778 -0.0439261 0.0826962 1.6809353 9 O -2.1718057 -0.0693255 -0.1449582 -0.0594338 -1.8169224 0.0295934 -0.1068674 -0.0409213 -1.7816240 10 O -2.1718057 0.0693255 -0.1449582 0.0594338 -1.8169224 -0.0295934 -0.1068674 0.0409213 -1.7816240 11 O -1.7723535 -0.0702692 0.0611392 -0.0586116 -1.9284239 -0.2613254 0.0359873 -0.1878347 -1.9475456 12 O -1.7723535 0.0702692 0.0611392 0.0586116 -1.9284239 0.2613254 0.0359873 0.1878347 -1.9475456 13 O -1.7723535 0.0702692 0.0611392 0.0586116 -1.9284239 0.2613254 0.0359873 0.1878347 -1.9475456 14 O -1.7723535 -0.0702692 0.0611392 -0.0586116 -1.9284239 -0.2613254 0.0359873 -0.1878347 -1.9475456 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.70, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/205) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 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 2.052 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 10.215 ( 0.000 0.000 0.000) 0.000 10.502 ( 0.000 0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 11.406 ( 0.000 0.000 0.000) 0.000 11.754 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 0.000) 0.000 12.687 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 13.014 ( 0.000 0.000 0.000) 0.000 13.223 ( 0.000 0.000 0.000) 0.000 14.596 ( 0.000 0.000 0.000) 0.000 14.970 ( 0.000 0.000 0.000) 0.000 15.898 ( 0.000 0.000 0.000) 0.000 17.052 ( 0.000 0.000 0.000) 0.000 18.005 ( 0.000 0.000 0.000) 0.000 18.158 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/205) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 27.796 0.000 29.111) 40.250 0.883 ( 36.265 0.000 22.231) 42.537 1.400 ( 60.836 0.000 22.577) 64.890 2.188 ( 10.197 0.000 4.372) 11.095 3.255 ( -1.681 0.000 -24.884) 24.940 3.405 ( 2.945 0.000 1.193) 3.177 3.914 ( 6.563 0.000 4.057) 7.716 4.194 ( 5.624 0.000 0.888) 5.694 4.571 ( 1.389 0.000 5.347) 5.525 4.845 ( 3.883 0.000 -18.555) 18.957 4.961 ( -4.123 0.000 -5.545) 6.910 5.043 ( 2.708 0.000 -1.499) 3.095 5.528 ( 0.666 0.000 -4.227) 4.279 5.776 ( -3.516 0.000 8.104) 8.834 6.173 ( 14.693 0.000 2.236) 14.862 6.494 ( -14.834 0.000 1.111) 14.876 6.770 ( -0.741 0.000 7.646) 7.682 7.793 ( -17.564 0.000 -3.536) 17.916 7.820 ( -11.292 0.000 -16.455) 19.957 8.162 ( -6.993 0.000 10.667) 12.755 8.324 ( 2.516 0.000 -6.367) 6.846 8.981 ( 3.598 0.000 -9.488) 10.148 9.354 ( 19.554 0.000 -7.424) 20.916 9.664 ( 6.950 0.000 9.100) 11.451 9.706 ( -7.388 0.000 4.495) 8.649 9.920 ( 8.679 0.000 -3.074) 9.207 10.459 ( -5.888 0.000 0.206) 5.891 10.588 ( 8.220 0.000 2.602) 8.623 10.743 ( -21.893 0.000 52.261) 56.662 11.173 ( -16.407 0.000 -5.926) 17.445 11.540 ( -24.349 0.000 1.314) 24.385 11.868 ( 3.884 0.000 7.437) 8.390 12.743 ( 0.977 0.000 0.919) 1.341 12.885 ( 1.339 0.000 -25.934) 25.968 13.183 ( -3.683 0.000 -1.068) 3.834 13.868 ( 43.603 0.000 -60.196) 74.329 14.637 ( 3.915 0.000 0.491) 3.946 15.755 ( -24.292 0.000 66.817) 71.096 15.900 ( 1.045 0.000 -1.880) 2.151 16.980 ( -7.671 0.000 1.102) 7.750 18.050 ( 5.686 0.000 -2.939) 6.400 19.908 ( 5.764 0.000 -19.235) 20.080 ======================= Grid point 2 (3/205) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 23.211 0.000 25.948) 34.814 1.719 ( 32.498 0.000 20.471) 38.408 2.412 ( 7.403 0.000 6.890) 10.113 2.546 ( 35.714 0.000 15.566) 38.959 3.094 ( 9.520 0.000 -13.727) 16.705 3.523 ( 7.181 0.000 3.168) 7.848 4.055 ( 2.183 0.000 8.307) 8.589 4.310 ( 5.349 0.000 -1.256) 5.494 4.551 ( -6.270 0.000 -4.340) 7.626 4.797 ( 4.392 0.000 -6.668) 7.985 4.903 ( 0.152 0.000 4.434) 4.436 5.062 ( 1.965 0.000 -6.423) 6.717 5.526 ( 3.512 0.000 -4.895) 6.025 5.796 ( -2.942 0.000 12.024) 12.379 6.175 ( -18.387 0.000 3.867) 18.790 6.549 ( 24.011 0.000 -2.362) 24.127 6.815 ( 0.945 0.000 2.974) 3.121 7.391 ( -16.458 0.000 -17.653) 24.135 7.486 ( -10.827 0.000 -4.537) 11.739 8.094 ( -8.355 0.000 8.560) 11.962 8.258 ( -3.786 0.000 -3.230) 4.977 8.987 ( 4.936 0.000 -9.014) 10.277 9.559 ( 5.045 0.000 -12.060) 13.073 9.565 ( -10.419 0.000 1.310) 10.501 9.948 ( 12.997 0.000 4.570) 13.777 10.005 ( 2.170 0.000 -2.129) 3.040 10.291 ( -6.848 0.000 -2.733) 7.374 10.641 ( -13.453 0.000 -8.253) 15.783 10.783 ( -9.259 0.000 26.294) 27.877 10.998 ( 11.194 0.000 6.868) 13.133 11.116 ( -19.213 0.000 9.058) 21.241 11.963 ( -0.066 0.000 6.467) 6.467 12.669 ( -3.202 0.000 -22.180) 22.410 12.778 ( 1.734 0.000 1.037) 2.020 13.069 ( -7.445 0.000 -1.085) 7.524 14.146 ( 20.326 0.000 -20.101) 28.586 14.740 ( 6.091 0.000 0.668) 6.128 15.881 ( -8.617 0.000 29.035) 30.287 15.921 ( 5.107 0.000 0.123) 5.109 16.809 ( -10.679 0.000 1.060) 10.732 18.147 ( 7.170 0.000 -4.031) 8.226 19.839 ( 0.318 0.000 -10.239) 10.244 ======================= Grid point 3 (4/205) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 7.629 0.000 13.333) 15.361 2.320 ( 10.721 0.000 9.979) 14.647 2.689 ( 19.704 0.000 14.540) 24.488 2.896 ( 13.548 0.000 4.449) 14.260 3.518 ( 22.882 0.000 0.092) 22.882 3.694 ( 6.822 0.000 4.105) 7.962 4.088 ( -7.684 0.000 10.139) 12.722 4.290 ( -13.047 0.000 -12.126) 17.811 4.369 ( 5.949 0.000 -7.495) 9.569 4.782 ( -11.422 0.000 -3.270) 11.881 4.977 ( -0.644 0.000 10.316) 10.337 5.121 ( 16.689 0.000 -5.334) 17.521 5.581 ( 5.322 0.000 -2.726) 5.980 5.872 ( 0.248 0.000 11.931) 11.934 6.009 ( -4.148 0.000 12.438) 13.112 6.728 ( -3.776 0.000 -29.177) 29.420 6.876 ( 4.377 0.000 2.274) 4.932 7.263 ( 21.248 0.000 7.079) 22.396 7.306 ( -3.707 0.000 -5.899) 6.967 8.006 ( -6.398 0.000 4.486) 7.814 8.155 ( -3.858 0.000 -4.338) 5.805 8.973 ( -4.574 0.000 -1.529) 4.822 9.182 ( -31.072 0.000 -8.632) 32.249 9.346 ( -10.167 0.000 -3.359) 10.707 9.948 ( -7.514 0.000 -1.796) 7.726 10.093 ( 12.706 0.000 -16.356) 20.712 10.286 ( -10.556 0.000 -6.624) 12.462 10.383 ( 7.934 0.000 5.422) 9.610 10.756 ( -14.111 0.000 20.388) 24.794 11.126 ( 7.382 0.000 16.356) 17.945 11.399 ( 20.196 0.000 6.635) 21.258 11.985 ( -1.625 0.000 3.349) 3.723 12.380 ( -9.014 0.000 -19.440) 21.429 12.818 ( 0.710 0.000 2.497) 2.595 12.888 ( -9.833 0.000 -2.445) 10.132 14.294 ( 8.636 0.000 -8.599) 12.187 14.861 ( 5.759 0.000 0.572) 5.787 15.899 ( -1.354 0.000 3.504) 3.756 16.079 ( 3.406 0.000 10.750) 11.277 16.621 ( -9.247 0.000 0.496) 9.260 18.238 ( 5.462 0.000 -3.287) 6.375 19.761 ( -1.003 0.000 -6.002) 6.085 ======================= Grid point 4 (5/205) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.934 0.000 1.698) 1.939 2.419 ( -0.017 0.000 2.219) 2.219 3.282 ( 24.057 0.000 16.421) 29.127 3.337 ( 21.867 0.000 10.686) 24.339 3.706 ( -3.580 0.000 -3.659) 5.119 3.782 ( -6.291 0.000 -5.226) 8.179 3.914 ( -9.482 0.000 -6.993) 11.782 3.991 ( -5.351 0.000 3.642) 6.473 4.372 ( 1.566 0.000 -15.557) 15.636 4.502 ( -9.246 0.000 5.654) 10.838 5.025 ( -1.066 0.000 4.991) 5.103 5.379 ( 7.340 0.000 1.179) 7.434 5.652 ( 2.798 0.000 -0.652) 2.873 5.998 ( 2.237 0.000 11.036) 11.261 6.138 ( 3.742 0.000 6.585) 7.574 6.362 ( -7.050 0.000 -19.008) 20.273 7.047 ( 6.753 0.000 5.808) 8.907 7.268 ( 5.924 0.000 -4.346) 7.347 7.873 ( 31.053 0.000 3.100) 31.207 7.944 ( -2.208 0.000 0.996) 2.422 8.004 ( -8.000 0.000 -7.096) 10.694 8.570 ( -20.010 0.000 -2.291) 20.141 8.656 ( -26.085 0.000 1.588) 26.133 9.239 ( 0.952 0.000 -3.565) 3.690 9.765 ( -6.226 0.000 -1.359) 6.372 10.169 ( -1.032 0.000 -1.692) 1.982 10.180 ( 5.662 0.000 -6.543) 8.652 10.536 ( 9.068 0.000 -5.842) 10.787 10.653 ( -12.296 0.000 15.027) 19.416 11.496 ( 13.264 0.000 16.204) 20.941 11.785 ( 13.748 0.000 4.791) 14.559 11.957 ( -3.002 0.000 -1.131) 3.208 12.018 ( -11.878 0.000 -16.451) 20.291 12.687 ( -8.116 0.000 0.523) 8.133 12.846 ( 1.008 0.000 -0.564) 1.155 14.347 ( 2.305 0.000 -2.483) 3.388 14.947 ( 2.484 0.000 0.237) 2.495 15.902 ( -0.340 0.000 0.879) 0.943 16.191 ( 1.634 0.000 3.452) 3.819 16.495 ( -3.784 0.000 0.097) 3.785 18.291 ( 2.015 0.000 -1.254) 2.374 19.711 ( -0.526 0.000 -2.038) 2.105 ======================= Grid point 9 (6/205) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 37.096 0.000) 37.096 0.900 ( 0.000 44.048 0.000) 44.048 1.248 ( 0.000 60.719 0.000) 60.719 2.112 ( 0.000 1.549 0.000) 1.549 3.030 ( 0.000 -7.521 0.000) 7.521 3.521 ( 0.000 11.528 0.000) 11.528 3.927 ( 0.000 10.298 0.000) 10.298 4.052 ( 0.000 -6.832 0.000) 6.832 4.421 ( 0.000 -3.085 0.000) 3.085 4.446 ( 0.000 -9.261 0.000) 9.261 5.005 ( 0.000 -3.389 0.000) 3.389 5.066 ( 0.000 4.070 0.000) 4.070 5.541 ( 0.000 -0.776 0.000) 0.776 5.917 ( 0.000 -9.300 0.000) 9.300 6.257 ( 0.000 4.887 0.000) 4.887 6.401 ( 0.000 7.330 0.000) 7.330 6.658 ( 0.000 -0.111 0.000) 0.111 7.820 ( 0.000 -13.246 0.000) 13.246 7.923 ( 0.000 -7.274 0.000) 7.274 8.220 ( 0.000 -0.253 0.000) 0.253 8.676 ( 0.000 8.612 0.000) 8.612 8.760 ( 0.000 -9.246 0.000) 9.246 9.092 ( 0.000 -5.047 0.000) 5.047 9.674 ( 0.000 -9.014 0.000) 9.014 9.675 ( 0.000 7.551 0.000) 7.551 10.037 ( 0.000 -13.293 0.000) 13.293 10.519 ( 0.000 1.778 0.000) 1.778 10.647 ( 0.000 7.839 0.000) 7.839 10.788 ( 0.000 10.585 0.000) 10.585 11.408 ( 0.000 0.977 0.000) 0.977 11.529 ( 0.000 -8.457 0.000) 8.457 12.008 ( 0.000 7.735 0.000) 7.735 12.712 ( 0.000 2.733 0.000) 2.733 13.006 ( 0.000 -0.722 0.000) 0.722 13.182 ( 0.000 -1.686 0.000) 1.686 13.208 ( 0.000 -1.438 0.000) 1.438 15.020 ( 0.000 4.828 0.000) 4.828 15.872 ( 0.000 -2.573 0.000) 2.573 16.975 ( 0.000 -0.240 0.000) 0.240 17.037 ( 0.000 -1.387 0.000) 1.387 18.171 ( 0.000 1.292 0.000) 1.292 18.517 ( 0.000 -1.425 0.000) 1.425 ======================= Grid point 10 (7/205) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 22.880 25.825 2.358) 34.583 1.136 ( 23.618 22.080 18.556) 37.278 1.947 ( 41.300 42.021 23.287) 63.354 2.210 ( 8.565 1.968 3.862) 9.599 3.120 ( 6.996 -7.903 -7.555) 12.980 3.508 ( -0.399 7.470 -5.879) 9.514 3.962 ( 1.534 3.256 4.891) 6.073 4.138 ( 7.261 -2.990 1.078) 7.926 4.525 ( 4.563 -4.567 7.789) 10.117 4.588 ( 10.759 -12.709 -2.214) 16.798 4.890 ( -6.414 -2.985 -5.331) 8.858 5.121 ( 2.839 4.346 0.956) 5.279 5.525 ( 1.417 -0.615 -5.553) 5.763 5.892 ( -9.478 2.108 -1.526) 9.829 6.136 ( 11.125 -0.978 -1.112) 11.223 6.527 ( -7.379 3.598 4.049) 9.153 6.688 ( 2.574 -4.960 5.598) 7.909 7.559 ( -15.576 -4.829 -1.497) 16.376 7.895 ( -6.539 -2.712 -4.450) 8.361 8.179 ( -1.875 -4.996 -7.581) 9.271 8.524 ( -13.637 10.409 1.692) 17.238 8.791 ( 4.972 -9.220 -6.166) 12.155 9.276 ( 14.342 -12.995 7.568) 20.781 9.552 ( 0.206 -1.486 -6.068) 6.250 9.864 ( 3.662 -4.628 3.718) 6.975 10.014 ( 4.317 6.476 -13.594) 15.665 10.432 ( -6.601 2.865 0.488) 7.213 10.580 ( 1.127 5.778 5.162) 7.829 10.805 ( -9.668 1.543 21.967) 24.050 11.177 ( -14.556 1.569 -5.015) 15.476 11.571 ( -11.293 4.580 5.530) 13.382 11.895 ( -8.573 -1.844 8.339) 12.101 12.679 ( 5.510 2.073 -14.067) 15.249 13.018 ( -3.230 5.308 -4.353) 7.587 13.166 ( -1.948 -1.496 -0.598) 2.528 13.574 ( 33.490 -13.395 -7.833) 36.911 14.905 ( -1.794 11.272 -13.948) 18.023 15.860 ( 0.199 -3.011 -2.991) 4.248 16.212 ( -36.216 27.350 23.311) 51.020 16.968 ( -7.410 -1.122 1.295) 7.605 18.093 ( 4.416 3.852 -2.639) 6.427 19.397 ( 30.223 -31.051 -1.660) 43.362 ======================= Grid point 11 (8/205) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 26.309 10.303 18.062) 33.534 1.754 ( 24.882 6.010 15.810) 30.087 2.398 ( 5.667 -0.291 6.867) 8.908 2.874 ( 30.088 26.453 18.195) 44.001 3.163 ( 9.866 4.875 -10.383) 15.129 3.527 ( 6.507 2.018 1.324) 6.940 4.031 ( -0.428 -3.707 8.059) 8.881 4.281 ( 6.784 -0.324 -0.703) 6.828 4.601 ( -4.987 3.707 -4.073) 7.430 4.750 ( 10.416 -7.185 -5.820) 13.928 4.799 ( 2.966 -3.098 8.954) 9.928 5.152 ( 0.050 6.631 -4.427) 7.973 5.519 ( 3.672 -1.211 -6.267) 7.364 5.721 ( -9.098 -3.204 6.529) 11.648 6.311 ( -8.616 6.196 2.655) 10.940 6.481 ( 16.078 -5.012 -1.373) 16.897 6.745 ( 1.672 -5.574 1.958) 6.140 7.315 ( -8.747 2.083 -0.701) 9.019 7.631 ( -11.580 7.460 -12.376) 18.518 8.070 ( -4.846 -8.209 -0.195) 9.534 8.277 ( -11.882 2.911 -1.615) 12.339 8.846 ( 6.448 -8.360 -6.488) 12.392 9.471 ( -5.628 -8.466 1.808) 10.325 9.633 ( 11.724 -4.347 -8.111) 14.904 9.847 ( -4.853 -13.237 -2.619) 14.340 9.974 ( -0.957 7.748 0.023) 7.807 10.279 ( -8.824 -0.372 -0.903) 8.878 10.706 ( -3.726 -2.676 18.502) 19.062 10.779 ( -4.266 2.451 -1.621) 5.180 10.869 ( -10.584 3.614 -0.947) 11.224 11.415 ( -0.204 18.301 8.139) 20.030 11.860 ( -3.940 -10.583 4.200) 12.048 12.646 ( 2.970 3.445 -16.205) 16.832 12.916 ( -2.699 6.889 -2.829) 7.922 13.094 ( -7.553 2.426 4.519) 9.130 14.051 ( 22.712 -8.029 -7.680) 25.284 14.827 ( 2.083 7.223 -4.923) 8.986 15.853 ( 3.240 -6.119 -5.347) 8.748 16.015 ( -12.459 11.515 22.646) 28.296 16.811 ( -9.849 -0.109 1.886) 10.029 18.183 ( 7.017 3.527 -3.701) 8.682 19.652 ( 6.700 -16.075 -6.185) 18.481 ======================= Grid point 12 (9/205) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 6.524 5.916 12.015) 14.897 2.338 ( 17.524 3.087 10.434) 20.628 2.578 ( 13.537 -6.198 8.713) 17.250 3.190 ( 10.930 22.338 6.269) 25.647 3.487 ( 13.068 -5.839 2.361) 14.507 3.741 ( 11.362 6.450 1.411) 13.141 4.067 ( -3.874 -1.000 9.423) 10.237 4.332 ( -9.660 5.534 -2.264) 11.361 4.393 ( 2.725 1.372 -12.675) 13.037 4.877 ( 1.817 -7.725 7.479) 10.904 4.901 ( -11.640 10.889 -6.212) 17.107 5.156 ( 16.479 2.488 0.927) 16.691 5.566 ( 4.693 -1.701 -3.493) 6.092 5.716 ( 1.251 -7.655 11.530) 13.896 6.225 ( -3.794 11.990 10.128) 16.147 6.576 ( 0.479 -11.253 -15.289) 18.989 6.905 ( 8.629 1.523 -2.568) 9.131 7.323 ( 6.920 6.167 1.956) 9.473 7.377 ( 3.011 6.079 -5.082) 8.476 8.009 ( -2.433 -9.108 1.091) 9.490 8.058 ( -8.009 -1.394 -4.548) 9.315 8.892 ( -0.961 -4.812 -1.085) 5.025 9.277 ( -17.372 0.533 -5.215) 18.146 9.324 ( -24.685 2.697 -5.679) 25.473 9.604 ( -9.515 -18.704 -9.559) 23.060 10.136 ( -0.893 -2.396 -0.374) 2.584 10.240 ( 11.122 -11.604 5.826) 17.096 10.624 ( -1.957 11.973 -5.974) 13.523 10.721 ( -7.859 8.508 12.355) 16.935 10.887 ( 4.580 -12.510 10.777) 17.135 11.704 ( 17.013 17.255 8.012) 25.522 11.773 ( -4.371 -14.708 -5.095) 16.168 12.511 ( -3.498 9.823 -11.849) 15.784 12.888 ( 1.971 5.092 -4.197) 6.887 12.951 ( -12.956 5.827 7.711) 16.164 14.299 ( 10.245 -0.189 -5.640) 11.696 14.878 ( 4.473 1.864 0.277) 4.854 15.880 ( 6.411 -9.523 -10.614) 15.635 16.000 ( -8.935 1.772 18.727) 20.825 16.659 ( -7.248 2.187 1.993) 7.829 18.276 ( 5.466 3.729 -3.084) 7.300 19.665 ( 1.085 -9.021 -4.793) 10.273 ======================= Grid point 13 (10/205) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.528 7.136 2.528) 7.589 2.451 ( -0.954 2.653 1.935) 3.419 3.109 ( 21.789 -9.737 10.982) 26.271 3.506 ( 10.866 7.466 3.325) 13.597 3.685 ( 7.545 -3.550 9.437) 12.593 3.795 ( -4.785 6.287 -6.776) 10.408 3.994 ( -10.223 7.081 -1.840) 12.571 4.078 ( -6.560 8.507 -0.675) 10.764 4.397 ( 4.664 2.754 -11.419) 12.638 4.595 ( -10.724 8.710 1.031) 13.854 4.938 ( -0.513 -6.964 4.094) 8.094 5.429 ( 6.706 3.988 1.984) 8.051 5.611 ( 1.875 -3.794 -1.169) 4.391 5.890 ( 4.664 -6.397 7.989) 11.247 6.283 ( -0.640 4.881 6.663) 8.284 6.405 ( -1.659 7.191 -13.769) 15.622 7.061 ( 8.471 0.873 6.826) 10.914 7.240 ( -0.038 -0.622 -7.231) 7.258 7.783 ( 4.243 -7.442 -3.039) 9.089 7.980 ( 20.677 -0.071 0.795) 20.692 8.038 ( 3.177 4.020 1.071) 5.235 8.598 ( -21.139 2.412 -0.552) 21.283 8.699 ( -29.912 3.904 -1.741) 30.216 9.169 ( 2.967 -7.409 -4.220) 9.028 9.397 ( -5.938 -19.898 -2.650) 20.933 10.094 ( -1.873 -7.769 1.275) 8.093 10.469 ( 10.356 -6.213 -4.823) 13.004 10.573 ( -1.482 3.919 -1.718) 4.529 10.672 ( -6.144 22.504 8.767) 24.920 11.162 ( 11.168 -20.577 13.457) 27.004 11.549 ( -9.419 -22.285 -11.298) 26.702 12.111 ( 15.886 19.519 6.280) 25.938 12.355 ( -4.899 16.635 -7.605) 18.936 12.753 ( -9.363 5.633 1.267) 11.000 12.902 ( 0.144 4.735 0.671) 4.784 14.380 ( 2.570 2.754 -2.021) 4.275 14.957 ( 2.440 1.072 0.678) 2.750 15.917 ( 8.135 -10.928 -13.042) 18.860 15.968 ( -9.248 -4.422 14.944) 18.122 16.584 ( -2.233 4.204 1.007) 4.866 18.330 ( 2.030 3.894 -1.186) 4.549 19.644 ( 0.008 -6.527 -1.759) 6.760 ======================= Grid point 18 (11/205) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.000 34.954 0.000) 34.954 1.748 ( 0.000 39.650 0.000) 39.650 2.173 ( 0.000 4.573 0.000) 4.573 2.394 ( 0.000 51.449 0.000) 51.449 2.882 ( 0.000 -6.421 0.000) 6.421 3.791 ( 0.000 14.579 0.000) 14.579 3.819 ( 0.000 -12.478 0.000) 12.478 4.105 ( 0.000 -6.748 0.000) 6.748 4.305 ( 0.000 5.620 0.000) 5.620 4.370 ( 0.000 -0.804 0.000) 0.804 4.919 ( 0.000 -4.764 0.000) 4.764 5.135 ( 0.000 1.649 0.000) 1.649 5.502 ( 0.000 -3.803 0.000) 3.803 5.625 ( 0.000 -19.281 0.000) 19.281 6.413 ( 0.000 10.402 0.000) 10.402 6.579 ( 0.000 9.585 0.000) 9.585 6.675 ( 0.000 2.887 0.000) 2.887 7.670 ( 0.000 -2.052 0.000) 2.052 7.754 ( 0.000 -9.523 0.000) 9.523 8.054 ( 0.000 -16.775 0.000) 16.775 8.304 ( 0.000 -19.266 0.000) 19.266 9.050 ( 0.000 13.209 0.000) 13.209 9.055 ( 0.000 3.129 0.000) 3.129 9.434 ( 0.000 -17.979 0.000) 17.979 9.766 ( 0.000 -9.901 0.000) 9.901 9.804 ( 0.000 4.945 0.000) 4.945 10.597 ( 0.000 6.241 0.000) 6.241 10.735 ( 0.000 1.786 0.000) 1.786 10.945 ( 0.000 2.954 0.000) 2.954 11.444 ( 0.000 -2.114 0.000) 2.114 11.512 ( 0.000 10.363 0.000) 10.363 12.080 ( 0.000 0.401 0.000) 0.401 12.793 ( 0.000 4.724 0.000) 4.724 12.990 ( 0.000 -0.741 0.000) 0.741 13.135 ( 0.000 -2.926 0.000) 2.926 13.166 ( 0.000 -2.729 0.000) 2.729 15.155 ( 0.000 8.271 0.000) 8.271 15.796 ( 0.000 -4.898 0.000) 4.898 16.968 ( 0.000 -0.494 0.000) 0.494 17.003 ( 0.000 -1.881 0.000) 1.881 18.209 ( 0.000 2.465 0.000) 2.465 18.476 ( 0.000 -2.655 0.000) 2.655 ======================= Grid point 19 (12/205) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 7.015 29.767 3.458) 30.778 1.678 ( 8.537 31.700 -1.365) 32.857 2.270 ( 6.936 4.140 3.649) 8.863 2.771 ( 21.954 27.225 6.646) 35.600 3.051 ( 14.437 10.171 13.310) 22.114 3.606 ( -4.802 -1.772 -5.758) 7.705 3.951 ( 2.967 1.172 -0.239) 3.199 4.152 ( 3.715 -1.220 1.652) 4.245 4.424 ( 9.675 -4.104 2.155) 10.728 4.483 ( 8.745 4.361 7.538) 12.342 4.853 ( -4.940 -1.438 -2.050) 5.538 5.171 ( 3.079 0.227 0.525) 3.132 5.495 ( 2.882 -3.111 -6.555) 7.807 5.686 ( 1.711 -19.054 3.790) 19.502 6.264 ( -4.521 11.530 -8.269) 14.891 6.638 ( -3.148 4.764 0.009) 5.710 6.652 ( -0.494 4.710 6.310) 7.890 7.556 ( -9.900 1.737 1.933) 10.236 7.735 ( -3.058 -10.393 1.991) 11.015 7.998 ( 1.770 -15.260 -13.358) 20.357 8.452 ( 4.800 -7.977 1.717) 9.467 8.882 ( -12.810 7.945 4.185) 15.644 8.965 ( -6.360 -11.213 5.408) 13.980 9.454 ( 4.499 -17.031 -9.103) 19.828 9.696 ( -1.034 -2.273 0.906) 2.656 10.052 ( 13.787 -0.067 -4.786) 14.594 10.560 ( -2.071 7.559 -6.608) 10.251 10.727 ( -2.410 5.013 3.525) 6.585 10.812 ( -13.156 -0.016 8.450) 15.636 11.287 ( -3.182 8.932 -11.518) 14.919 11.649 ( 0.509 0.062 10.563) 10.576 11.861 ( -17.409 2.456 0.058) 17.582 12.784 ( 3.468 6.265 -8.103) 10.813 13.071 ( -1.822 0.472 -1.360) 2.323 13.132 ( 1.023 -1.723 2.968) 3.581 13.374 ( 20.632 -7.985 6.665) 23.106 15.098 ( -1.935 9.347 -7.638) 12.225 15.771 ( -0.697 -5.570 -4.296) 7.069 16.594 ( -26.407 11.931 3.683) 29.210 16.937 ( -7.166 -1.945 1.379) 7.552 18.189 ( 4.080 5.460 -1.966) 7.094 18.926 ( 26.281 -17.046 3.168) 31.484 ======================= Grid point 20 (13/205) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 22.873 16.957 3.215) 28.654 1.968 ( 9.635 14.281 13.249) 21.733 2.414 ( 2.702 1.899 7.129) 7.857 3.111 ( 13.590 -4.435 -1.396) 14.363 3.480 ( 4.487 16.823 13.290) 21.903 3.647 ( 17.217 15.688 2.403) 23.416 3.984 ( 2.320 3.258 3.230) 5.141 4.277 ( 7.895 -2.709 -0.229) 8.350 4.599 ( 7.807 -3.503 1.594) 8.704 4.690 ( -3.110 3.538 -4.613) 6.593 4.838 ( 12.515 6.290 11.030) 17.828 5.242 ( 3.555 0.786 -1.460) 3.923 5.493 ( 3.168 -0.961 -10.274) 10.795 5.643 ( -8.223 -8.432 4.267) 12.527 6.216 ( 3.310 -4.320 -5.038) 7.416 6.589 ( -4.215 10.643 4.015) 12.131 6.696 ( 6.888 0.943 1.063) 7.034 7.409 ( -6.748 2.272 2.743) 7.630 7.673 ( -4.102 -4.705 -2.720) 6.809 7.876 ( -4.533 -7.954 -7.707) 11.967 8.300 ( -10.953 3.368 -10.078) 15.260 8.774 ( -0.880 -0.381 -0.765) 1.227 9.095 ( 5.237 -24.544 14.832) 29.152 9.415 ( -1.007 -20.780 -8.451) 22.456 9.668 ( -2.715 -0.189 -1.606) 3.160 10.065 ( -10.612 -2.841 -0.911) 11.024 10.368 ( -11.840 9.755 -5.736) 16.379 10.663 ( -6.463 -0.245 7.488) 9.895 10.717 ( -6.086 -2.365 3.837) 7.574 11.191 ( 3.716 18.960 -11.332) 22.399 11.587 ( -7.391 -12.065 -1.080) 14.190 11.763 ( 6.265 13.092 3.993) 15.053 12.771 ( 1.323 7.308 -7.153) 10.311 13.007 ( -0.725 2.630 -4.230) 5.034 13.147 ( -6.778 2.410 12.713) 14.607 13.859 ( 22.705 -10.811 4.243) 25.503 14.993 ( -1.423 9.018 -7.536) 11.838 15.703 ( -0.816 -8.205 -8.066) 11.535 16.266 ( -14.855 12.115 9.279) 21.296 16.792 ( -8.982 -1.879 2.597) 9.537 18.286 ( 7.243 6.656 -2.868) 10.246 19.296 ( 12.653 -17.854 -1.508) 21.935 ======================= Grid point 21 (14/205) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 4.281 6.580 8.734) 11.743 2.447 ( 26.829 4.670 8.838) 28.630 2.490 ( -0.680 0.083 6.093) 6.132 3.283 ( 6.068 -12.485 2.283) 14.068 3.667 ( 8.176 21.609 8.074) 24.474 3.879 ( 6.099 6.917 -1.612) 9.361 4.157 ( 6.206 11.089 9.288) 15.741 4.392 ( 7.186 -1.041 -9.816) 12.210 4.518 ( -10.583 10.782 1.022) 15.143 4.725 ( 0.326 -6.327 7.921) 10.143 5.122 ( -6.839 6.917 -13.255) 16.441 5.262 ( 16.550 10.792 7.144) 21.009 5.497 ( 5.265 -4.907 -2.405) 7.588 5.611 ( -0.441 -3.309 8.126) 8.785 6.211 ( 0.996 -11.569 -4.555) 12.473 6.576 ( 0.387 10.477 4.139) 11.272 6.946 ( 13.988 3.208 -2.516) 14.570 7.417 ( 8.008 -3.687 6.123) 10.734 7.486 ( -6.516 3.762 -13.878) 15.787 7.783 ( -3.296 -3.715 -0.278) 4.975 8.059 ( -4.191 0.624 -5.060) 6.600 8.804 ( 3.453 -5.335 -1.389) 6.505 9.142 ( -13.707 -9.514 0.313) 16.688 9.230 ( -7.586 -18.675 -7.483) 21.501 9.434 ( -25.297 2.115 -0.485) 25.390 9.912 ( -7.342 -17.039 14.260) 23.400 10.148 ( 1.143 4.115 -5.295) 6.802 10.595 ( -5.559 -2.292 3.637) 7.027 10.696 ( 0.933 -5.575 3.717) 6.766 11.211 ( 5.993 24.592 -8.119) 26.582 11.406 ( -8.818 -16.765 -8.798) 20.886 12.057 ( 19.284 13.499 2.443) 23.666 12.714 ( -1.847 9.823 -3.333) 10.537 12.990 ( 1.066 4.301 -1.601) 4.711 13.075 ( -11.471 6.738 10.564) 16.988 14.241 ( 13.901 -6.797 2.463) 15.668 14.946 ( 1.243 5.039 -2.263) 5.662 15.609 ( -1.102 -13.695 -9.981) 16.982 16.130 ( -8.237 8.491 7.823) 14.183 16.668 ( -6.188 -1.547 2.779) 6.958 18.389 ( 5.690 7.570 -2.535) 9.804 19.428 ( 4.587 -13.858 -2.699) 14.845 ======================= Grid point 22 (15/205) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 1.501 4.970 3.028) 6.010 2.494 ( -1.639 0.777 1.860) 2.598 2.950 ( 15.814 -5.047 6.107) 17.688 3.388 ( 2.067 -11.015 1.235) 11.275 3.900 ( 6.163 14.763 8.181) 17.969 3.945 ( 5.181 9.928 0.133) 11.199 4.180 ( -6.963 10.570 -7.571) 14.749 4.293 ( -5.817 11.966 -0.438) 13.313 4.504 ( 5.650 8.194 -0.287) 9.958 4.717 ( -6.246 -4.007 4.051) 8.455 4.902 ( -3.496 10.320 -4.813) 11.912 5.492 ( 5.198 -2.527 -3.303) 6.658 5.550 ( -0.118 3.777 3.825) 5.377 5.757 ( 4.683 -7.077 5.884) 10.327 6.228 ( 3.362 -8.112 -1.009) 8.839 6.615 ( 0.025 8.144 -1.091) 8.217 7.091 ( 4.368 3.398 5.489) 7.795 7.278 ( -3.712 3.349 -11.394) 12.442 7.668 ( -3.892 -1.137 -3.785) 5.547 7.858 ( 27.810 -10.396 3.161) 29.857 8.153 ( 11.225 4.946 3.063) 12.643 8.625 ( -25.292 -0.968 0.196) 25.311 8.747 ( -22.145 -1.457 -4.594) 22.664 8.992 ( -2.015 -8.349 -1.351) 8.694 9.144 ( -4.103 -4.534 -2.319) 6.540 9.840 ( -4.726 -15.807 3.678) 16.904 10.336 ( 10.269 -6.155 2.415) 12.214 10.523 ( -4.686 -3.577 1.705) 6.137 10.809 ( 5.621 -13.079 9.719) 17.237 11.117 ( -8.994 -20.021 -15.512) 26.877 11.255 ( 1.783 28.986 -1.171) 29.064 12.411 ( 12.928 8.450 0.884) 15.470 12.692 ( 5.083 15.692 -4.686) 17.148 12.891 ( -16.288 8.876 9.955) 21.052 13.002 ( 1.411 5.553 -2.234) 6.150 14.414 ( 3.862 -1.043 0.263) 4.009 14.991 ( 2.306 2.181 1.390) 3.465 15.511 ( -1.256 -20.223 -5.653) 21.036 16.070 ( -2.991 7.157 3.035) 8.330 16.609 ( -1.989 -1.591 1.208) 2.819 18.449 ( 2.110 8.002 -1.003) 8.336 19.460 ( 1.079 -11.477 -1.200) 11.590 ======================= Grid point 27 (16/205) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 28.478 0.000) 28.478 2.284 ( 0.000 6.093 0.000) 6.093 2.409 ( 0.000 21.511 0.000) 21.511 2.856 ( 0.000 9.402 0.000) 9.402 3.076 ( 0.000 4.764 0.000) 4.764 3.657 ( 0.000 -4.856 0.000) 4.856 3.860 ( 0.000 -1.903 0.000) 1.903 4.050 ( 0.000 9.285 0.000) 9.285 4.449 ( 0.000 9.991 0.000) 9.991 4.527 ( 0.000 11.858 0.000) 11.858 4.829 ( 0.000 -3.910 0.000) 3.910 5.096 ( 0.000 -6.006 0.000) 6.006 5.196 ( 0.000 -20.804 0.000) 20.804 5.354 ( 0.000 -11.470 0.000) 11.470 6.668 ( 0.000 14.753 0.000) 14.753 6.758 ( 0.000 7.674 0.000) 7.674 6.789 ( 0.000 7.509 0.000) 7.509 7.480 ( 0.000 -20.374 0.000) 20.374 7.655 ( 0.000 -2.474 0.000) 2.474 7.711 ( 0.000 -11.281 0.000) 11.281 8.085 ( 0.000 1.669 0.000) 1.669 8.920 ( 0.000 -28.198 0.000) 28.198 9.188 ( 0.000 5.813 0.000) 5.813 9.228 ( 0.000 4.957 0.000) 4.957 9.698 ( 0.000 1.561 0.000) 1.561 9.850 ( 0.000 -0.816 0.000) 0.816 10.751 ( 0.000 6.756 0.000) 6.756 10.759 ( 0.000 1.079 0.000) 1.079 10.961 ( 0.000 2.500 0.000) 2.500 11.353 ( 0.000 -7.970 0.000) 7.970 11.766 ( 0.000 12.776 0.000) 12.776 12.061 ( 0.000 -2.184 0.000) 2.184 12.882 ( 0.000 3.973 0.000) 3.973 12.980 ( 0.000 -0.448 0.000) 0.448 13.074 ( 0.000 -2.706 0.000) 2.706 13.105 ( 0.000 -3.090 0.000) 3.090 15.336 ( 0.000 9.416 0.000) 9.416 15.677 ( 0.000 -6.947 0.000) 6.947 16.958 ( 0.000 -0.448 0.000) 0.448 16.969 ( 0.000 -1.281 0.000) 1.281 18.268 ( 0.000 3.348 0.000) 3.348 18.413 ( 0.000 -3.484 0.000) 3.484 ======================= Grid point 28 (17/205) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -1.161 21.387 7.487) 22.689 2.271 ( -3.017 24.484 -10.327) 26.744 2.367 ( 4.135 4.860 3.346) 7.205 2.858 ( 8.178 -0.943 -6.493) 10.484 3.329 ( 4.579 -5.385 13.173) 14.950 3.659 ( 10.434 2.078 2.837) 11.010 3.959 ( 9.500 11.511 3.195) 15.263 4.260 ( 8.479 11.429 4.261) 14.855 4.405 ( 2.273 3.237 0.325) 3.969 4.675 ( 10.131 12.092 2.306) 15.943 4.817 ( -0.446 -2.188 1.335) 2.602 5.116 ( 2.222 -5.641 0.265) 6.068 5.245 ( 4.731 -21.172 -0.648) 21.703 5.376 ( 3.016 -10.541 -1.063) 11.016 6.535 ( -6.752 14.555 -8.252) 18.043 6.756 ( -2.490 9.070 3.426) 10.010 6.805 ( -0.465 6.039 0.277) 6.064 7.457 ( 0.235 -20.202 -3.939) 20.584 7.525 ( -8.202 -1.735 -0.072) 8.384 7.794 ( 5.663 -3.678 -2.363) 7.154 8.261 ( 9.173 -5.225 14.347) 17.812 8.862 ( -8.482 -11.725 -4.982) 15.305 8.976 ( -14.328 -1.374 0.751) 14.413 9.036 ( -13.388 -7.976 1.307) 15.639 9.756 ( 5.513 5.584 -4.714) 9.154 10.010 ( 9.378 -4.365 -4.796) 11.402 10.686 ( -2.054 3.623 -6.501) 7.721 10.767 ( -5.607 -1.316 1.253) 5.894 10.873 ( -6.356 9.221 4.997) 12.264 11.331 ( 1.818 -7.424 -8.441) 11.388 11.723 ( -5.843 10.098 0.462) 11.676 11.944 ( -7.040 2.613 -0.072) 7.510 12.901 ( 3.166 5.391 -4.042) 7.445 13.054 ( 0.433 -1.860 -4.591) 4.972 13.106 ( 2.228 -0.568 9.179) 9.462 13.228 ( 12.219 -6.631 10.086) 17.175 15.291 ( -2.072 9.657 -5.670) 11.388 15.641 ( -1.649 -7.358 -4.868) 8.975 16.756 ( -16.351 5.358 0.262) 17.209 16.893 ( -7.922 -2.427 0.942) 8.339 18.311 ( 6.310 6.730 -0.917) 9.271 18.654 ( 17.344 -11.022 2.286) 20.677 ======================= Grid point 29 (18/205) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 3.517 12.655 3.674) 13.639 2.277 ( 6.273 13.810 1.877) 15.284 2.465 ( 1.474 3.388 7.961) 8.777 2.932 ( 3.274 -12.473 -1.825) 13.024 3.570 ( 15.322 4.597 6.608) 17.308 3.990 ( 13.323 -8.113 9.091) 18.054 4.188 ( 3.357 25.761 7.742) 27.108 4.300 ( 6.025 10.172 -2.590) 12.103 4.580 ( 6.958 -0.252 1.930) 7.225 4.745 ( -0.315 1.101 -2.841) 3.063 5.024 ( 15.691 11.380 6.121) 20.327 5.189 ( 5.300 -4.863 0.550) 7.214 5.335 ( 4.694 -17.019 1.212) 17.696 5.459 ( 7.397 -5.430 -3.896) 9.969 6.313 ( -9.715 11.142 -7.302) 16.488 6.722 ( -3.448 -0.582 -2.337) 4.206 6.812 ( 5.301 9.832 0.506) 11.182 7.391 ( -6.891 4.248 3.366) 8.768 7.448 ( 2.837 -16.886 -5.028) 17.846 7.856 ( 1.699 2.299 -0.147) 2.862 8.456 ( -9.704 9.554 -9.460) 16.581 8.622 ( -1.997 -17.324 17.364) 24.609 8.758 ( -3.952 -3.230 -2.169) 5.546 8.951 ( -1.102 -23.144 1.621) 23.227 9.708 ( -7.787 3.327 -3.245) 9.069 9.942 ( -14.865 -7.549 -0.653) 16.685 10.538 ( -9.060 5.530 -0.915) 10.654 10.655 ( -3.606 -1.606 0.104) 3.949 10.775 ( -8.077 8.879 -5.054) 13.024 11.256 ( -1.322 -12.101 -13.321) 18.045 11.637 ( 2.027 16.149 -4.113) 16.788 11.948 ( 8.592 3.868 -0.974) 9.473 12.907 ( -1.439 5.777 1.135) 6.061 13.031 ( -1.503 -0.393 2.130) 2.636 13.211 ( 0.547 5.154 10.452) 11.666 13.623 ( 18.584 -12.496 8.321) 23.890 15.180 ( -2.936 9.372 -8.108) 12.736 15.536 ( -3.155 -8.426 -9.093) 12.792 16.479 ( -13.440 9.029 3.267) 16.518 16.733 ( -9.393 -4.007 2.248) 10.456 18.451 ( 8.587 9.755 -1.734) 13.111 18.960 ( 12.905 -15.466 -0.102) 20.143 ======================= Grid point 30 (19/205) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 1.869 4.566 5.072) 7.076 2.432 ( 2.861 -1.556 4.500) 5.555 2.635 ( 12.231 8.555 7.595) 16.747 3.028 ( 6.688 -12.160 3.388) 14.286 3.911 ( 12.671 7.462 5.543) 15.715 4.181 ( -2.102 18.773 4.786) 19.487 4.262 ( 8.187 -6.652 2.180) 10.771 4.478 ( 8.207 13.377 -0.775) 15.713 4.635 ( -3.454 -3.367 7.231) 8.692 4.698 ( -2.678 5.068 -1.768) 5.998 5.188 ( 2.800 1.510 -6.738) 7.451 5.395 ( 5.658 -5.782 4.912) 9.464 5.504 ( 14.683 8.920 -4.216) 17.689 5.559 ( 5.947 -0.784 5.205) 7.942 6.070 ( -9.242 1.157 -4.863) 10.507 6.629 ( -2.148 -10.853 -5.228) 12.237 7.043 ( 18.580 6.123 -3.337) 19.846 7.338 ( -2.411 4.291 7.798) 9.221 7.475 ( 5.065 -1.597 -8.223) 9.789 7.866 ( -1.139 5.126 1.516) 5.466 8.146 ( -7.715 7.584 -8.462) 13.735 8.594 ( -2.643 -16.917 -0.634) 17.134 8.872 ( 0.820 -12.542 -0.780) 12.593 8.953 ( -4.150 -9.199 6.755) 12.144 9.440 ( -21.171 -0.437 5.297) 21.828 9.605 ( -17.082 -11.964 13.236) 24.701 10.321 ( -8.162 11.085 -9.808) 16.903 10.568 ( -6.375 -1.387 0.688) 6.561 10.640 ( 0.045 0.548 -2.966) 3.017 11.045 ( -6.426 -16.213 -18.126) 25.154 11.710 ( 7.618 21.683 -4.463) 23.412 12.200 ( 17.255 0.096 -3.386) 17.584 12.880 ( -2.713 6.261 3.202) 7.537 13.022 ( -5.307 -0.933 10.006) 11.365 13.289 ( 0.932 15.179 4.383) 15.826 14.010 ( 14.216 -15.720 8.048) 22.671 15.070 ( -1.740 6.928 -5.864) 9.242 15.377 ( -4.475 -9.404 -11.000) 15.148 16.308 ( -8.063 8.803 3.627) 12.476 16.600 ( -6.534 -5.054 2.454) 8.617 18.579 ( 6.267 11.310 -1.835) 13.060 19.133 ( 6.528 -15.129 -1.479) 16.543 ======================= Grid point 31 (20/205) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 0.746 2.150 2.062) 3.072 2.468 ( -0.557 -2.903 2.124) 3.640 2.928 ( 9.180 2.544 3.643) 10.199 3.184 ( 4.647 -9.014 2.746) 10.507 4.080 ( 3.308 7.798 -0.367) 8.479 4.210 ( -1.229 9.525 8.128) 12.582 4.371 ( 5.490 7.447 -6.330) 11.210 4.504 ( -2.191 6.033 -0.765) 6.464 4.608 ( -3.534 -0.095 0.603) 3.586 4.691 ( 0.490 5.772 6.132) 8.435 5.146 ( -0.402 10.814 -4.660) 11.782 5.436 ( 0.699 -0.084 -2.990) 3.072 5.610 ( 2.501 -5.687 2.446) 6.676 5.758 ( 0.424 15.714 2.371) 15.898 5.999 ( 5.068 -13.895 0.876) 14.816 6.554 ( -1.639 -14.641 -3.886) 15.236 7.215 ( 1.453 7.639 -0.703) 7.808 7.446 ( 1.097 15.520 -2.992) 15.844 7.617 ( 19.033 -10.758 0.144) 21.863 7.791 ( -1.635 10.799 -3.163) 11.371 8.153 ( 5.370 -6.188 -0.002) 8.193 8.528 ( -7.012 -16.666 -3.882) 18.493 8.647 ( -8.441 -0.599 2.669) 8.873 8.818 ( -16.198 -5.248 1.578) 17.100 9.209 ( -3.430 6.781 4.711) 8.941 9.554 ( -4.216 -11.564 7.129) 14.224 10.243 ( 5.991 -1.596 0.894) 6.264 10.441 ( -7.570 -5.075 -3.539) 9.776 10.650 ( 1.010 -3.732 2.838) 4.796 10.777 ( -5.236 -12.737 -13.547) 19.317 11.797 ( 3.654 24.464 -2.071) 24.821 12.441 ( 9.014 -5.239 -2.972) 10.841 12.875 ( 1.010 4.942 -0.579) 5.077 12.990 ( -6.320 0.002 9.432) 11.353 13.320 ( 0.443 24.138 0.362) 24.145 14.255 ( 5.501 -15.871 3.773) 17.216 15.040 ( 1.116 2.650 0.044) 2.875 15.207 ( -4.015 -9.151 -7.513) 12.502 16.228 ( -2.758 8.306 1.504) 8.880 16.532 ( -2.242 -5.717 1.039) 6.228 18.649 ( 2.237 11.794 -0.785) 12.030 19.199 ( 1.905 -14.069 -0.786) 14.219 ======================= Grid point 36 (21/205) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 0.000 -2.328 0.000) 2.328 2.387 ( 0.000 2.328 0.000) 2.328 2.789 ( 0.000 -22.503 0.000) 22.503 2.789 ( 0.000 22.503 0.000) 22.503 3.279 ( 0.000 -24.646 0.000) 24.646 3.279 ( 0.000 24.646 0.000) 24.646 4.098 ( 0.000 -6.731 0.000) 6.731 4.098 ( 0.000 6.731 0.000) 6.731 4.710 ( 0.000 -3.267 0.000) 3.267 4.710 ( 0.000 3.267 0.000) 3.267 4.789 ( 0.000 -8.931 0.000) 8.931 4.789 ( 0.000 8.931 0.000) 8.931 5.102 ( 0.000 -8.364 0.000) 8.364 5.102 ( 0.000 8.364 0.000) 8.364 6.850 ( 0.000 -0.133 0.000) 0.133 6.850 ( 0.000 0.133 0.000) 0.133 7.045 ( 0.000 -20.000 0.000) 20.000 7.045 ( 0.000 20.000 0.000) 20.000 7.604 ( 0.000 -0.394 0.000) 0.394 7.604 ( 0.000 0.394 0.000) 0.394 8.372 ( 0.000 -23.614 0.000) 23.614 8.372 ( 0.000 23.614 0.000) 23.614 9.266 ( 0.000 -1.091 0.000) 1.091 9.266 ( 0.000 1.091 0.000) 1.091 9.780 ( 0.000 -5.230 0.000) 5.230 9.780 ( 0.000 5.230 0.000) 5.230 10.784 ( 0.000 -1.219 0.000) 1.219 10.784 ( 0.000 1.219 0.000) 1.219 11.138 ( 0.000 -12.211 0.000) 12.211 11.138 ( 0.000 12.211 0.000) 12.211 11.972 ( 0.000 -7.217 0.000) 7.217 11.972 ( 0.000 7.217 0.000) 7.217 12.951 ( 0.000 -2.728 0.000) 2.728 12.951 ( 0.000 2.728 0.000) 2.728 13.056 ( 0.000 -1.258 0.000) 1.258 13.056 ( 0.000 1.258 0.000) 1.258 15.520 ( 0.000 -8.645 0.000) 8.645 15.520 ( 0.000 8.645 0.000) 8.645 16.954 ( 0.000 -0.226 0.000) 0.226 16.954 ( 0.000 0.226 0.000) 0.226 18.340 ( 0.000 -3.731 0.000) 3.731 18.340 ( 0.000 3.731 0.000) 3.731 ======================= Grid point 38 (22/205) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -2.160 -4.009 4.378) 6.317 2.388 ( -2.160 4.009 4.378) 6.317 2.698 ( -3.009 -17.271 -8.641) 19.545 2.698 ( -3.009 17.271 -8.641) 19.545 3.405 ( 10.900 -14.818 6.872) 19.637 3.405 ( 10.900 14.818 6.872) 19.637 4.286 ( 13.429 -8.749 4.192) 16.566 4.286 ( 13.429 8.749 4.192) 16.566 4.663 ( -4.243 -15.875 2.910) 16.688 4.663 ( -4.243 15.875 2.910) 16.688 4.908 ( 10.634 -7.994 0.007) 13.304 4.908 ( 10.634 7.994 0.007) 13.304 5.125 ( 3.363 -9.721 -0.933) 10.328 5.125 ( 3.363 9.721 -0.933) 10.328 6.780 ( -6.050 -7.812 -4.024) 10.668 6.780 ( -6.050 7.812 -4.024) 10.668 7.040 ( 0.906 -18.744 -1.209) 18.804 7.040 ( 0.906 18.744 -1.209) 18.804 7.630 ( 1.172 -10.538 2.783) 10.962 7.630 ( 1.172 10.538 2.783) 10.962 8.427 ( 3.477 -19.485 5.181) 20.460 8.427 ( 3.477 19.485 5.181) 20.460 9.012 ( -19.868 -1.925 -0.952) 19.984 9.012 ( -19.868 1.925 -0.952) 19.984 9.889 ( 6.767 -7.032 -5.376) 11.142 9.889 ( 6.767 7.032 -5.376) 11.142 10.732 ( -4.698 -1.770 -2.071) 5.431 10.732 ( -4.698 1.770 -2.071) 5.431 11.110 ( -1.805 -12.646 -1.723) 12.890 11.110 ( -1.805 12.646 -1.723) 12.890 11.910 ( -3.503 -6.223 -2.499) 7.566 11.910 ( -3.503 6.223 -2.499) 7.566 12.998 ( 2.928 -3.928 -3.797) 6.198 12.998 ( 2.928 3.928 -3.797) 6.198 13.125 ( 5.067 -2.998 10.794) 12.295 13.125 ( 5.067 2.998 10.794) 12.295 15.478 ( -2.071 -8.827 -5.127) 10.416 15.478 ( -2.071 8.827 -5.127) 10.416 16.838 ( -10.611 -3.161 0.264) 11.075 16.838 ( -10.611 3.161 0.264) 11.075 18.462 ( 10.700 -8.404 0.596) 13.619 18.462 ( 10.700 8.404 0.596) 13.619 ======================= Grid point 40 (23/205) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -2.507 -3.458 4.467) 6.180 2.376 ( -2.507 3.458 4.467) 6.180 2.651 ( 3.607 -14.200 -0.624) 14.664 2.651 ( 3.607 14.200 -0.624) 14.664 3.751 ( 16.546 -12.328 8.377) 22.270 3.751 ( 16.546 12.328 8.377) 22.270 4.502 ( 3.963 -6.688 0.648) 7.801 4.502 ( 3.963 6.688 0.648) 7.801 4.636 ( 0.531 -14.389 3.031) 14.714 4.636 ( 0.531 14.389 3.031) 14.714 5.115 ( 7.284 -0.864 2.590) 7.779 5.115 ( 7.284 0.864 2.590) 7.779 5.278 ( 15.905 -12.018 -2.036) 20.039 5.278 ( 15.905 12.018 -2.036) 20.039 6.563 ( -11.244 -12.261 -7.185) 18.121 6.563 ( -11.244 12.261 -7.185) 18.121 7.082 ( 4.926 -17.141 -1.094) 17.868 7.082 ( 4.926 17.141 -1.094) 17.868 7.685 ( 2.066 -18.347 2.782) 18.671 7.685 ( 2.066 18.347 2.782) 18.671 8.559 ( -4.638 -11.711 11.438) 17.014 8.559 ( -4.638 11.711 11.438) 17.014 8.655 ( -6.242 -6.590 -6.059) 10.913 8.655 ( -6.242 6.590 -6.059) 10.913 9.801 ( -13.012 -6.014 -2.333) 14.523 9.801 ( -13.012 6.014 -2.333) 14.523 10.613 ( -6.121 -2.637 0.928) 6.730 10.613 ( -6.121 2.637 0.928) 6.730 11.001 ( -5.138 -12.525 -11.898) 18.023 11.001 ( -5.138 12.525 -11.898) 18.023 11.900 ( 7.274 -8.459 -4.789) 12.141 11.900 ( 7.274 8.459 -4.789) 12.141 12.994 ( -3.239 -3.034 5.418) 7.003 12.994 ( -3.239 3.034 5.418) 7.003 13.378 ( 11.285 -11.094 8.467) 17.947 13.378 ( 11.285 11.094 8.467) 17.947 15.363 ( -3.595 -8.847 -8.713) 12.927 15.363 ( -3.595 8.847 -8.713) 12.927 16.631 ( -11.069 -6.252 1.860) 12.848 16.631 ( -11.069 6.252 1.860) 12.848 18.677 ( 10.825 -12.743 -0.587) 16.731 18.677 ( 10.825 12.743 -0.587) 16.731 ======================= Grid point 42 (24/205) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -0.583 -3.375 3.952) 5.230 2.384 ( -0.583 3.375 3.952) 5.230 2.811 ( 9.958 -9.424 5.199) 14.663 2.811 ( 9.958 9.424 5.199) 14.663 4.083 ( 10.901 -9.516 5.413) 15.449 4.083 ( 10.901 9.516 5.413) 15.449 4.493 ( -4.274 -11.358 5.989) 13.532 4.493 ( -4.274 11.358 5.989) 13.532 4.698 ( 3.569 -5.736 -3.240) 7.492 4.698 ( 3.569 5.736 -3.240) 7.492 5.251 ( 5.715 -6.172 1.739) 8.590 5.251 ( 5.715 6.172 1.739) 8.590 5.577 ( 13.805 -0.984 -0.919) 13.871 5.577 ( 13.805 0.984 -0.919) 13.871 6.285 ( -9.747 -17.678 -7.187) 21.428 6.285 ( -9.747 17.678 -7.187) 21.428 7.215 ( 10.382 -10.455 -2.268) 14.908 7.215 ( 10.382 10.455 -2.268) 14.908 7.759 ( 4.343 -17.652 1.135) 18.214 7.759 ( 4.343 17.652 1.135) 18.214 8.301 ( -11.974 -8.689 -4.159) 15.368 8.301 ( -11.974 8.689 -4.159) 15.368 8.795 ( 3.981 -4.324 6.798) 8.986 8.795 ( 3.981 4.324 6.798) 8.986 9.458 ( -21.103 -3.202 8.876) 23.116 9.458 ( -21.103 3.202 8.876) 23.116 10.503 ( -7.010 -5.657 -1.793) 9.184 10.503 ( -7.010 5.657 -1.793) 9.184 10.758 ( -4.971 -11.327 -15.935) 20.173 10.758 ( -4.971 11.327 -15.935) 20.173 12.065 ( 12.522 -12.931 -5.343) 18.777 12.065 ( 12.522 12.931 -5.343) 18.777 12.974 ( -4.772 -3.490 8.038) 9.978 12.974 ( -4.772 3.490 8.038) 9.978 13.648 ( 9.408 -19.197 7.415) 22.628 13.648 ( 9.408 19.197 7.415) 22.628 15.214 ( -3.856 -7.359 -8.848) 12.137 15.214 ( -3.856 7.359 -8.848) 12.137 16.473 ( -7.377 -7.452 2.282) 10.731 16.473 ( -7.377 7.452 2.282) 10.731 18.836 ( 6.803 -14.089 -1.330) 15.702 18.836 ( 6.803 14.089 -1.330) 15.702 ======================= Grid point 44 (25/205) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -0.011 -2.837 1.741) 3.329 2.405 ( -0.011 2.837 1.741) 3.329 3.026 ( 6.286 -6.678 3.145) 9.695 3.026 ( 6.286 6.678 3.145) 9.695 4.227 ( 2.607 -5.866 0.002) 6.419 4.227 ( 2.607 5.866 0.002) 6.419 4.495 ( -1.724 -4.495 7.151) 8.620 4.495 ( -1.724 4.495 7.151) 8.620 4.698 ( 0.575 -3.956 -4.377) 5.928 4.698 ( 0.575 3.956 -4.377) 5.928 5.342 ( 2.391 -9.155 0.526) 9.477 5.342 ( 2.391 9.155 0.526) 9.477 5.708 ( 1.442 -13.501 -0.659) 13.594 5.708 ( 1.442 13.501 -0.659) 13.594 6.155 ( -0.264 -22.045 -1.990) 22.137 6.155 ( -0.264 22.045 -1.990) 22.137 7.386 ( 7.253 -9.619 -1.760) 12.174 7.386 ( 7.253 9.619 -1.760) 12.174 7.862 ( 4.927 -17.713 -0.532) 18.393 7.862 ( 4.927 17.713 -0.532) 18.393 8.112 ( -3.514 -16.852 -3.840) 17.637 8.112 ( -3.514 16.852 -3.840) 17.637 8.724 ( -11.390 -5.030 2.963) 12.799 8.724 ( -11.390 5.030 2.963) 12.799 9.360 ( -0.883 -8.371 10.610) 13.543 9.360 ( -0.883 8.371 10.610) 13.543 10.306 ( -5.760 -6.964 -7.667) 11.851 10.306 ( -5.760 6.964 -7.667) 11.851 10.634 ( -0.632 -2.294 -3.581) 4.299 10.634 ( -0.632 2.294 -3.581) 4.299 12.215 ( 5.872 -16.658 -2.828) 17.888 12.215 ( 5.872 16.658 -2.828) 17.888 12.954 ( -2.517 -3.077 4.048) 5.674 12.954 ( -2.517 3.077 4.048) 5.674 13.826 ( 3.801 -24.850 3.358) 25.362 13.826 ( 3.801 24.850 3.358) 25.362 15.098 ( -1.861 -3.354 -4.025) 5.560 15.098 ( -1.861 3.354 -4.025) 5.560 16.393 ( -2.557 -7.853 0.984) 8.317 16.393 ( -2.557 7.853 0.984) 8.317 18.912 ( 2.245 -14.102 -0.667) 14.295 18.912 ( 2.245 14.102 -0.667) 14.295 ======================= Grid point 81 (26/205) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.005 0.000 28.643) 28.643 0.820 ( 5.903 0.000 41.709) 42.125 1.271 ( 9.688 0.000 65.437) 66.151 2.061 ( 4.304 0.000 0.965) 4.411 3.160 ( -28.525 0.000 -3.626) 28.755 3.426 ( -1.388 0.000 4.929) 5.121 3.830 ( 5.537 0.000 2.481) 6.067 4.162 ( 0.804 0.000 3.057) 3.161 4.442 ( 6.459 0.000 -2.654) 6.983 4.491 ( 8.009 0.000 -3.673) 8.811 4.963 ( -3.374 0.000 -7.160) 7.915 5.051 ( -0.838 0.000 3.278) 3.384 5.466 ( 0.133 0.000 -5.686) 5.688 5.916 ( 0.848 0.000 12.011) 12.041 6.025 ( 2.271 0.000 0.660) 2.365 6.520 ( 9.548 0.000 -0.396) 9.557 6.734 ( 2.029 0.000 6.022) 6.355 7.838 ( -5.352 0.000 -11.510) 12.693 8.049 ( -4.147 0.000 -3.416) 5.373 8.213 ( 0.561 0.000 -1.832) 1.916 8.316 ( 2.608 0.000 6.812) 7.294 8.801 ( -2.389 0.000 -17.023) 17.190 9.067 ( 1.287 0.000 -15.404) 15.458 9.705 ( -4.549 0.000 8.243) 9.414 9.708 ( 5.819 0.000 -2.968) 6.532 9.865 ( -3.397 0.000 -1.406) 3.676 10.517 ( -1.920 0.000 0.867) 2.107 10.553 ( 0.772 0.000 5.585) 5.639 11.256 ( -3.367 0.000 -10.880) 11.389 11.320 ( 53.536 0.000 6.436) 53.921 11.703 ( 12.009 0.000 -6.693) 13.748 11.796 ( 0.959 0.000 -0.098) 0.964 12.828 ( -41.301 0.000 -9.428) 42.364 12.838 ( -2.951 0.000 9.945) 10.374 13.193 ( -22.575 0.000 8.793) 24.227 13.287 ( -3.948 0.000 5.844) 7.052 14.654 ( -1.879 0.000 5.911) 6.202 15.863 ( -1.517 0.000 -3.588) 3.895 17.050 ( 1.619 0.000 -0.093) 1.621 17.664 ( -87.432 0.000 -2.586) 87.470 18.019 ( -4.118 0.000 1.440) 4.363 18.364 ( 101.213 0.000 -0.715) 101.216 ======================= Grid point 82 (27/205) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 33.453 0.000 19.933) 38.942 1.472 ( 24.046 0.000 34.996) 42.461 2.181 ( 28.690 0.000 51.070) 58.577 2.271 ( 13.090 0.000 4.209) 13.750 2.909 ( -3.351 0.000 -10.603) 11.120 3.468 ( 2.018 0.000 5.125) 5.508 3.991 ( 8.155 0.000 3.150) 8.742 4.248 ( 4.226 0.000 4.940) 6.501 4.572 ( 8.838 0.000 -9.121) 12.701 4.582 ( 0.147 0.000 -5.315) 5.317 4.848 ( 2.126 0.000 -5.717) 6.100 5.046 ( -2.431 0.000 1.399) 2.804 5.433 ( 1.106 0.000 -3.012) 3.208 6.011 ( -2.776 0.000 14.647) 14.908 6.169 ( 12.529 0.000 -4.423) 13.287 6.486 ( -8.641 0.000 1.506) 8.771 6.814 ( 1.742 0.000 0.557) 1.829 7.522 ( -15.060 0.000 -13.184) 20.016 7.696 ( -18.178 0.000 -4.400) 18.703 8.306 ( -0.052 0.000 -1.733) 1.734 8.337 ( -7.357 0.000 7.121) 10.239 8.695 ( 8.496 0.000 -18.673) 20.515 9.093 ( 14.195 0.000 -15.590) 21.084 9.730 ( -4.007 0.000 -2.678) 4.819 9.827 ( 9.638 0.000 6.470) 11.609 9.852 ( 6.864 0.000 -5.940) 9.078 10.434 ( -7.787 0.000 -1.338) 7.901 10.658 ( 2.142 0.000 4.276) 4.783 11.014 ( -8.406 0.000 -6.997) 10.937 11.461 ( -23.424 0.000 9.959) 25.454 11.641 ( -20.294 0.000 16.829) 26.364 11.870 ( 9.932 0.000 -6.880) 12.082 12.390 ( 2.397 0.000 -16.517) 16.690 12.858 ( -4.063 0.000 9.820) 10.628 13.242 ( -5.806 0.000 6.229) 8.515 13.502 ( 28.031 0.000 0.118) 28.031 14.705 ( 1.489 0.000 6.627) 6.792 15.802 ( -0.187 0.000 -6.575) 6.578 16.645 ( -35.976 0.000 27.437) 45.244 17.004 ( -7.070 0.000 1.596) 7.248 18.007 ( 2.974 0.000 -1.589) 3.372 19.385 ( 31.590 0.000 -24.488) 39.970 ======================= Grid point 83 (28/205) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 19.747 0.000 17.021) 26.070 2.204 ( 21.891 0.000 28.572) 35.994 2.534 ( 10.940 0.000 5.715) 12.343 2.714 ( 4.571 0.000 -3.971) 6.055 3.136 ( 24.178 0.000 23.473) 33.698 3.599 ( 7.059 0.000 4.555) 8.401 4.146 ( 6.617 0.000 -2.488) 7.069 4.330 ( -3.188 0.000 7.053) 7.740 4.385 ( -9.993 0.000 -11.077) 14.918 4.728 ( 16.881 0.000 -3.653) 17.272 4.947 ( 7.469 0.000 -3.117) 8.093 4.958 ( -7.507 0.000 1.255) 7.611 5.476 ( 4.141 0.000 1.787) 4.510 6.066 ( -4.092 0.000 15.343) 15.880 6.315 ( 10.685 0.000 -22.935) 25.302 6.333 ( -10.969 0.000 11.534) 15.917 6.832 ( 1.234 0.000 -1.263) 1.766 7.209 ( -5.527 0.000 -0.545) 5.554 7.376 ( -11.048 0.000 -4.704) 12.008 8.195 ( -9.945 0.000 1.753) 10.098 8.208 ( -5.905 0.000 -4.356) 7.338 8.778 ( 12.209 0.000 -11.784) 16.968 9.235 ( 11.704 0.000 -17.662) 21.188 9.586 ( -9.126 0.000 -0.858) 9.166 9.910 ( 3.933 0.000 -8.438) 9.310 9.931 ( -10.044 0.000 -4.657) 11.071 10.297 ( 3.192 0.000 1.830) 3.679 10.436 ( -17.299 0.000 -9.824) 19.893 11.121 ( 15.207 0.000 5.868) 16.300 11.238 ( -7.042 0.000 13.114) 14.885 11.425 ( -20.946 0.000 26.547) 33.815 11.948 ( 4.760 0.000 -7.389) 8.790 12.265 ( -1.361 0.000 -18.736) 18.785 12.843 ( -4.632 0.000 6.248) 7.778 13.175 ( -8.551 0.000 9.598) 12.855 13.960 ( 20.246 0.000 -2.214) 20.366 14.811 ( 3.376 0.000 6.778) 7.572 15.755 ( 2.652 0.000 -10.144) 10.485 16.423 ( -13.582 0.000 20.557) 24.639 16.834 ( -11.526 0.000 1.698) 11.651 18.089 ( 6.698 0.000 -2.032) 7.000 19.573 ( 10.535 0.000 -15.064) 18.383 ======================= Grid point 84 (29/205) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -2.603 0.000 3.565) 4.414 2.496 ( -2.313 0.000 7.656) 7.997 2.994 ( 22.655 0.000 4.045) 23.014 3.020 ( 24.821 0.000 19.943) 31.840 3.609 ( 11.615 0.000 10.028) 15.345 3.763 ( 5.330 0.000 3.006) 6.119 4.060 ( -14.165 0.000 -11.690) 18.365 4.092 ( -5.336 0.000 -18.488) 19.243 4.306 ( -5.239 0.000 11.856) 12.962 4.735 ( -7.856 0.000 -1.820) 8.064 4.994 ( 1.908 0.000 -8.954) 9.155 5.186 ( 16.447 0.000 11.197) 19.897 5.598 ( 4.907 0.000 4.670) 6.774 6.112 ( -4.170 0.000 -5.660) 7.030 6.173 ( 3.492 0.000 -9.518) 10.138 6.317 ( -5.144 0.000 18.434) 19.138 6.903 ( 10.485 0.000 -0.616) 10.503 7.200 ( -4.873 0.000 -2.860) 5.650 7.419 ( 20.387 0.000 8.600) 22.127 8.030 ( -6.967 0.000 -1.643) 7.158 8.043 ( -5.839 0.000 -8.022) 9.922 8.913 ( 7.773 0.000 -4.853) 9.164 9.017 ( -23.617 0.000 -7.417) 24.754 9.350 ( -18.161 0.000 3.142) 18.431 9.746 ( 8.558 0.000 -17.216) 19.226 9.768 ( -7.006 0.000 -17.292) 18.657 10.145 ( -2.722 0.000 -5.812) 6.418 10.439 ( 5.605 0.000 0.946) 5.685 11.248 ( -18.878 0.000 26.703) 32.702 11.425 ( 8.602 0.000 13.347) 15.879 11.497 ( 18.779 0.000 2.747) 18.979 11.935 ( 0.828 0.000 -7.269) 7.315 12.028 ( -7.423 0.000 -15.854) 17.506 12.783 ( -6.249 0.000 2.861) 6.873 13.087 ( -9.957 0.000 12.589) 16.051 14.236 ( 9.989 0.000 1.676) 10.129 14.931 ( 2.886 0.000 6.746) 7.337 15.726 ( 4.744 0.000 -13.882) 14.670 16.384 ( -7.172 0.000 13.729) 15.489 16.631 ( -10.157 0.000 0.476) 10.168 18.205 ( 6.134 0.000 -0.023) 6.134 19.612 ( 5.334 0.000 -8.794) 10.285 ======================= Grid point 85 (30/205) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -3.230 0.000 2.768) 4.253 2.454 ( -4.487 0.000 1.201) 4.645 3.386 ( 12.727 0.000 -8.503) 15.306 3.531 ( -7.866 0.000 -3.486) 8.604 3.672 ( -12.763 0.000 -6.145) 14.166 3.672 ( 6.650 0.000 10.313) 12.271 3.874 ( 0.607 0.000 -1.005) 1.174 3.883 ( 8.174 0.000 -5.073) 9.620 4.349 ( 0.088 0.000 14.130) 14.131 4.632 ( -5.587 0.000 6.506) 8.575 4.881 ( -0.192 0.000 -17.752) 17.753 5.413 ( 1.928 0.000 1.536) 2.465 5.697 ( 0.941 0.000 3.446) 3.573 5.911 ( -1.097 0.000 -15.839) 15.877 6.322 ( -10.312 0.000 11.812) 15.680 6.366 ( 9.333 0.000 15.243) 17.873 7.109 ( -4.079 0.000 -1.739) 4.435 7.250 ( 15.876 0.000 4.550) 16.515 7.902 ( 2.260 0.000 -2.621) 3.461 7.905 ( 1.268 0.000 -2.478) 2.783 7.971 ( 22.408 0.000 4.350) 22.826 8.547 ( -15.841 0.000 -0.220) 15.842 8.695 ( -31.240 0.000 2.313) 31.326 9.200 ( 6.964 0.000 -1.918) 7.224 9.578 ( 3.078 0.000 -15.485) 15.788 9.836 ( 15.198 0.000 -20.770) 25.736 10.127 ( 2.372 0.000 -2.815) 3.681 10.511 ( 2.381 0.000 -0.365) 2.408 11.086 ( -21.113 0.000 24.981) 32.708 11.530 ( -7.384 0.000 -14.952) 16.676 11.766 ( 7.607 0.000 -12.868) 14.948 11.903 ( 2.326 0.000 2.449) 3.378 11.956 ( 10.273 0.000 12.385) 16.091 12.661 ( -7.454 0.000 2.773) 7.953 13.039 ( -6.439 0.000 13.035) 14.539 14.391 ( 3.335 0.000 6.663) 7.451 15.011 ( -0.747 0.000 6.366) 6.410 15.692 ( 5.378 0.000 -17.499) 18.307 16.349 ( -6.901 0.000 8.206) 10.722 16.491 ( -3.901 0.000 -0.574) 3.943 18.305 ( 2.867 0.000 2.790) 4.001 19.648 ( 4.661 0.000 -4.413) 6.419 ======================= Grid point 86 (31/205) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -6.655 0.000 1.817) 6.899 2.373 ( -3.600 0.000 -2.650) 4.470 2.997 ( -27.228 0.000 -12.931) 30.142 3.070 ( -15.437 0.000 -17.584) 23.399 3.709 ( 7.911 0.000 -5.554) 9.666 3.760 ( -5.280 0.000 -4.500) 6.938 3.921 ( -2.914 0.000 -0.855) 3.037 4.162 ( 16.087 0.000 15.476) 22.322 4.495 ( -1.514 0.000 5.567) 5.769 4.699 ( 6.719 0.000 18.044) 19.255 4.753 ( 3.851 0.000 -19.774) 20.146 5.355 ( -5.764 0.000 -2.468) 6.270 5.678 ( -3.013 0.000 -1.399) 3.322 5.805 ( -1.593 0.000 -6.407) 6.602 6.093 ( -18.574 0.000 1.777) 18.658 6.756 ( 15.937 0.000 19.411) 25.115 6.974 ( -7.815 0.000 -0.951) 7.872 7.327 ( -1.016 0.000 1.065) 1.471 7.833 ( -21.688 0.000 -1.687) 21.753 7.887 ( -14.765 0.000 -4.359) 15.395 8.147 ( 5.038 0.000 6.994) 8.620 8.638 ( 28.044 0.000 4.523) 28.406 8.642 ( 23.271 0.000 0.263) 23.273 9.345 ( 4.091 0.000 6.803) 7.938 9.637 ( 16.170 0.000 -12.910) 20.692 9.941 ( 14.084 0.000 -19.348) 23.931 10.166 ( 4.433 0.000 -2.693) 5.187 10.537 ( 1.089 0.000 -1.593) 1.930 10.854 ( -23.411 0.000 18.228) 29.670 11.164 ( -13.223 0.000 -14.478) 19.607 11.602 ( -8.578 0.000 -15.441) 17.664 11.951 ( -2.409 0.000 0.707) 2.510 12.347 ( 14.440 0.000 16.328) 21.798 12.640 ( 3.796 0.000 1.045) 3.937 13.052 ( -4.260 0.000 13.913) 14.551 14.491 ( -0.751 0.000 12.472) 12.495 14.998 ( -5.717 0.000 5.276) 7.779 15.624 ( 4.627 0.000 -22.387) 22.860 16.253 ( -8.912 0.000 4.661) 10.058 16.488 ( 3.994 0.000 -0.657) 4.047 18.351 ( -1.570 0.000 5.030) 5.269 19.716 ( 5.222 0.000 -1.885) 5.551 ======================= Grid point 87 (32/205) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -23.527 0.000 -7.981) 24.844 2.163 ( -24.297 0.000 -5.216) 24.851 2.448 ( -11.168 0.000 -11.069) 15.725 2.799 ( -5.042 0.000 -5.816) 7.697 3.564 ( -21.286 0.000 3.017) 21.499 3.611 ( -5.668 0.000 -4.488) 7.230 3.908 ( 5.399 0.000 -7.994) 9.646 4.441 ( -5.776 0.000 2.755) 6.399 4.479 ( 5.408 0.000 3.085) 6.226 4.732 ( 9.725 0.000 -8.734) 13.071 4.936 ( -1.112 0.000 12.199) 12.250 5.213 ( -7.079 0.000 0.887) 7.134 5.600 ( -2.337 0.000 -4.056) 4.681 5.720 ( -3.174 0.000 -1.759) 3.629 5.894 ( 3.379 0.000 0.571) 3.427 6.854 ( -5.228 0.000 0.910) 5.306 7.125 ( -35.761 0.000 -0.843) 35.771 7.255 ( 19.015 0.000 17.701) 25.979 7.362 ( 4.231 0.000 -0.350) 4.245 7.866 ( 4.894 0.000 -8.951) 10.201 8.236 ( 3.265 0.000 3.865) 5.060 8.978 ( 10.807 0.000 -0.652) 10.827 9.269 ( 26.963 0.000 -1.870) 27.028 9.475 ( 3.098 0.000 9.138) 9.649 9.896 ( 15.096 0.000 -6.378) 16.388 10.092 ( 15.972 0.000 -8.473) 18.080 10.300 ( 16.380 0.000 -5.737) 17.356 10.382 ( -20.595 0.000 -1.285) 20.635 10.645 ( -3.488 0.000 7.205) 8.005 10.876 ( -7.570 0.000 -5.511) 9.364 11.233 ( -17.016 0.000 -11.485) 20.529 11.875 ( -2.448 0.000 -5.239) 5.783 12.729 ( 11.337 0.000 15.991) 19.602 12.744 ( 4.787 0.000 0.261) 4.794 13.111 ( -1.832 0.000 13.889) 14.009 14.590 ( -3.512 0.000 22.368) 22.642 14.900 ( -8.328 0.000 4.221) 9.337 15.464 ( 0.934 0.000 -30.453) 30.467 16.110 ( -8.992 0.000 3.203) 9.545 16.611 ( 8.932 0.000 -0.562) 8.950 18.328 ( -5.741 0.000 6.060) 8.348 19.802 ( 5.440 0.000 -2.712) 6.078 ======================= Grid point 88 (33/205) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -30.412 0.000 -3.753) 30.643 1.482 ( -37.551 0.000 -3.078) 37.677 2.282 ( -5.048 0.000 -6.291) 8.066 2.364 ( -44.364 0.000 -2.066) 44.412 3.359 ( 0.623 0.000 10.510) 10.528 3.484 ( -4.983 0.000 -0.907) 5.065 3.902 ( 0.660 0.000 -7.032) 7.063 4.330 ( -7.619 0.000 0.690) 7.650 4.469 ( 1.586 0.000 -10.869) 10.985 4.911 ( 7.106 0.000 3.730) 8.026 4.952 ( -1.577 0.000 6.400) 6.591 5.121 ( -3.790 0.000 0.160) 3.793 5.528 ( -0.272 0.000 -6.381) 6.387 5.698 ( 0.674 0.000 3.538) 3.602 6.143 ( 15.687 0.000 -0.827) 15.708 6.524 ( -25.537 0.000 -2.766) 25.686 6.770 ( -4.595 0.000 0.572) 4.631 7.486 ( 11.274 0.000 -3.199) 11.719 7.744 ( 17.916 0.000 12.567) 21.884 7.896 ( 5.795 0.000 -7.667) 9.611 8.358 ( 5.894 0.000 3.681) 6.949 9.065 ( 0.527 0.000 -1.722) 1.800 9.483 ( 6.957 0.000 -15.549) 17.034 9.595 ( 2.672 0.000 4.951) 5.626 9.859 ( -24.863 0.000 -2.778) 25.018 9.999 ( 1.450 0.000 -3.244) 3.553 10.396 ( 4.746 0.000 7.027) 8.480 10.594 ( -10.875 0.000 8.121) 13.573 10.677 ( 19.630 0.000 -5.094) 20.280 10.856 ( -7.373 0.000 -7.675) 10.643 10.993 ( 26.917 0.000 -3.809) 27.186 11.779 ( -1.235 0.000 -9.582) 9.661 12.801 ( -0.347 0.000 3.952) 3.967 13.021 ( 5.756 0.000 12.852) 14.082 13.205 ( 0.229 0.000 10.857) 10.859 14.776 ( -8.039 0.000 4.026) 8.990 14.809 ( 0.271 0.000 47.292) 47.293 15.114 ( -6.548 0.000 -42.558) 43.059 15.991 ( -5.570 0.000 1.628) 5.803 16.790 ( 10.150 0.000 -0.917) 10.191 18.242 ( -8.466 0.000 5.824) 10.276 19.839 ( 3.124 0.000 -12.274) 12.665 ======================= Grid point 89 (34/205) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -21.102 0.000 29.800) 36.515 0.830 ( -32.879 0.000 17.318) 37.161 1.352 ( -59.454 0.000 16.054) 61.583 2.113 ( -7.046 0.000 -3.125) 7.707 3.425 ( -2.369 0.000 3.163) 3.952 3.593 ( 10.713 0.000 6.551) 12.557 3.815 ( -4.703 0.000 -8.456) 9.676 4.193 ( -5.913 0.000 -0.062) 5.913 4.429 ( 3.850 0.000 -8.738) 9.549 4.863 ( -15.455 0.000 -24.017) 28.560 5.012 ( 2.112 0.000 -1.036) 2.352 5.043 ( -1.934 0.000 1.351) 2.359 5.494 ( 1.725 0.000 -5.827) 6.077 5.790 ( 3.087 0.000 7.968) 8.545 6.133 ( -13.495 0.000 -1.392) 13.567 6.294 ( 3.594 0.000 0.133) 3.596 6.710 ( -2.983 0.000 4.251) 5.193 7.763 ( 20.040 0.000 -2.161) 20.156 7.919 ( 5.413 0.000 -11.631) 12.829 8.126 ( 10.023 0.000 11.340) 15.135 8.441 ( -1.371 0.000 -5.865) 6.023 8.987 ( -3.938 0.000 -8.848) 9.685 9.293 ( -9.407 0.000 -19.100) 21.291 9.637 ( -0.314 0.000 18.987) 18.989 9.653 ( 1.776 0.000 0.162) 1.784 9.946 ( -3.414 0.000 -2.251) 4.090 10.421 ( -2.525 0.000 19.639) 19.800 10.534 ( -1.492 0.000 5.628) 5.822 10.574 ( -6.647 0.000 1.282) 6.769 11.153 ( 21.311 0.000 -7.417) 22.565 11.528 ( 25.100 0.000 0.003) 25.100 11.671 ( -0.390 0.000 -10.469) 10.476 12.816 ( -2.644 0.000 7.579) 8.027 13.104 ( -4.858 0.000 3.081) 5.752 13.279 ( -1.175 0.000 7.907) 7.994 14.402 ( -30.882 0.000 -56.276) 64.193 14.681 ( -5.587 0.000 4.760) 7.340 15.776 ( 55.836 0.000 95.189) 110.357 15.920 ( -2.691 0.000 -0.648) 2.768 16.958 ( 8.027 0.000 -1.120) 8.105 18.120 ( -8.488 0.000 4.339) 9.533 19.496 ( -26.183 0.000 -49.750) 56.220 ======================= Grid point 90 (35/205) ======================= q-point: ( 0.00 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 11.806 21.169 15.666) 28.861 1.005 ( -5.197 29.859 16.627) 34.569 1.946 ( 5.042 42.785 45.339) 62.543 2.102 ( 5.324 5.044 3.440) 8.101 3.047 ( -9.496 -7.579 0.719) 12.171 3.543 ( -6.994 10.536 2.586) 12.908 3.941 ( 4.098 8.705 1.111) 9.685 4.081 ( 1.868 -7.250 2.650) 7.942 4.391 ( 3.883 -4.064 -3.110) 6.424 4.434 ( 8.395 -5.758 -1.196) 10.250 4.961 ( -5.622 -0.543 -4.487) 7.214 5.102 ( 1.097 2.560 2.929) 4.042 5.453 ( -0.957 -1.465 -6.490) 6.722 5.957 ( 1.131 -5.599 3.269) 6.581 6.065 ( -3.468 9.324 -3.306) 10.483 6.568 ( 6.339 4.354 4.498) 8.909 6.719 ( -0.781 -0.990 6.501) 6.622 7.725 ( 0.905 -7.530 -7.159) 10.429 7.960 ( 0.577 -7.798 1.031) 7.887 8.173 ( -12.078 -2.991 -4.979) 13.402 8.463 ( 3.090 -10.659 -14.239) 18.053 8.668 ( 10.080 13.061 -6.270) 17.649 9.208 ( -3.319 2.569 1.050) 4.326 9.523 ( 0.153 -7.821 -7.150) 10.598 9.795 ( 4.360 -3.707 2.743) 6.346 9.932 ( -7.796 2.842 -6.041) 10.264 10.411 ( 3.013 -4.064 -2.174) 5.506 10.566 ( -0.379 4.430 1.843) 4.813 11.038 ( 8.398 -7.071 3.978) 11.677 11.305 ( 3.614 -2.902 -2.663) 5.345 11.688 ( 9.368 0.226 8.548) 12.684 11.918 ( 8.342 3.823 -11.127) 14.423 12.782 ( -23.756 0.881 0.188) 23.773 12.949 ( -2.195 5.282 1.115) 5.827 13.116 ( 2.262 -3.200 7.820) 8.747 13.433 ( -9.577 4.163 7.912) 13.101 14.830 ( -3.096 11.736 -6.425) 13.733 15.832 ( -1.685 -3.028 -4.053) 5.332 17.039 ( 1.603 -0.999 0.478) 1.948 17.265 ( -23.168 -15.967 14.795) 31.790 18.133 ( -11.645 3.002 -2.675) 12.320 18.465 ( 38.013 3.265 -3.623) 38.324 ======================= Grid point 91 (36/205) ======================= q-point: ( 0.11 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 25.332 4.032 25.614) 36.249 1.449 ( 27.833 11.217 15.916) 33.968 2.275 ( 13.918 1.911 3.323) 14.436 2.644 ( 18.772 28.511 41.431) 53.682 2.986 ( 2.248 10.214 -3.324) 10.974 3.490 ( -0.751 3.150 3.306) 4.628 4.040 ( 4.914 2.372 2.502) 6.003 4.178 ( 4.675 -5.693 3.490) 8.151 4.483 ( 8.712 -6.425 -7.083) 12.936 4.609 ( 4.661 1.081 -1.695) 5.076 4.820 ( -1.153 -0.278 -0.460) 1.272 5.121 ( -0.883 5.018 -0.694) 5.142 5.408 ( 1.320 -2.404 -3.979) 4.833 5.965 ( -6.348 -2.115 8.592) 10.890 6.116 ( 10.308 -4.486 -3.282) 11.711 6.578 ( -5.709 6.249 4.038) 9.378 6.756 ( -0.651 -4.767 1.101) 4.935 7.518 ( -12.653 2.825 -2.404) 13.186 7.781 ( -16.136 4.396 -7.706) 18.414 8.068 ( 3.641 -14.885 -6.311) 16.573 8.362 ( -3.006 -8.014 -10.646) 13.660 8.724 ( -0.130 9.863 -2.910) 10.284 9.220 ( 10.686 5.832 -13.453) 18.144 9.578 ( 5.238 -17.570 4.647) 18.914 9.794 ( -1.657 0.661 -6.037) 6.295 9.904 ( 5.961 2.555 -2.459) 6.936 10.419 ( -4.603 -3.511 0.497) 5.811 10.612 ( 5.278 2.197 -0.725) 5.762 10.997 ( -5.150 -1.609 -2.742) 6.052 11.245 ( -14.571 -11.338 10.134) 21.061 11.703 ( -14.731 5.960 6.467) 17.156 11.900 ( 1.550 -7.067 -7.414) 10.359 12.459 ( -3.593 9.506 -8.894) 13.505 12.948 ( -3.629 5.480 5.535) 8.593 13.318 ( -2.410 4.669 10.702) 11.923 13.530 ( 22.200 2.365 1.258) 22.361 14.779 ( -0.008 6.846 1.186) 6.948 15.758 ( -0.992 -4.191 -7.158) 8.354 16.677 ( -31.596 2.793 19.316) 37.137 17.001 ( -6.713 -0.475 2.194) 7.078 18.052 ( 2.374 3.980 -1.709) 4.939 19.202 ( 30.505 -14.625 -13.786) 36.531 ======================= Grid point 92 (37/205) ======================= q-point: ( 0.22 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 19.124 6.431 15.632) 25.523 2.045 ( 24.738 -6.580 19.765) 32.341 2.521 ( 7.595 -0.286 5.780) 9.548 2.984 ( 9.119 12.981 -6.620) 17.190 3.306 ( 13.280 17.675 23.696) 32.408 3.611 ( 8.297 2.629 7.262) 11.336 4.135 ( 3.328 -2.811 -2.294) 4.924 4.256 ( -0.345 -2.830 1.376) 3.166 4.487 ( -6.707 7.094 -3.876) 10.504 4.668 ( 15.279 -4.194 -2.818) 16.093 4.976 ( 8.447 2.119 -0.898) 8.755 5.036 ( -5.215 7.341 2.714) 9.404 5.448 ( 4.467 -2.868 0.474) 5.329 5.926 ( -6.563 -7.666 13.542) 16.889 6.240 ( 8.435 -6.842 -16.321) 19.604 6.502 ( -6.898 10.194 8.530) 14.976 6.753 ( 2.738 -5.202 -0.837) 5.938 7.332 ( -4.905 9.795 1.360) 11.039 7.429 ( -11.717 5.042 -6.426) 14.284 8.031 ( -2.045 -15.309 -8.542) 17.650 8.179 ( -8.387 -2.812 -3.013) 9.345 8.739 ( 6.376 -0.756 -5.054) 8.171 9.288 ( 7.914 0.037 -16.237) 18.063 9.582 ( -8.570 -2.827 -0.292) 9.029 9.757 ( -7.548 -7.639 -6.916) 12.773 9.965 ( 4.875 -0.554 -0.667) 4.951 10.292 ( -4.244 -1.019 0.931) 4.463 10.548 ( -5.248 11.601 -13.788) 18.768 10.963 ( -0.857 -8.287 7.776) 11.396 11.125 ( -8.651 -12.021 19.244) 24.283 11.558 ( -0.638 9.248 4.215) 10.183 11.814 ( -4.543 -12.628 -6.365) 14.853 12.385 ( 2.483 11.943 -11.703) 16.905 12.903 ( -5.658 4.715 5.889) 9.430 13.302 ( -8.199 9.919 12.050) 17.630 13.973 ( 20.519 0.667 -0.581) 20.538 14.834 ( 2.583 2.453 5.038) 6.170 15.685 ( 1.385 -6.667 -10.576) 12.578 16.416 ( -15.251 0.361 16.921) 22.782 16.852 ( -10.225 0.941 2.353) 10.535 18.128 ( 6.597 3.789 -2.074) 7.885 19.462 ( 12.038 -10.168 -11.860) 19.723 ======================= Grid point 93 (38/205) ======================= q-point: ( 0.33 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.149 4.988 4.312) 6.596 2.522 ( 1.193 2.947 7.078) 7.759 2.830 ( 22.291 -9.178 18.103) 30.147 3.210 ( 17.475 11.483 -3.242) 21.160 3.626 ( 8.734 -0.582 9.797) 13.138 3.791 ( 1.881 3.551 3.694) 5.459 4.067 ( -1.183 1.367 -17.248) 17.343 4.154 ( -9.500 6.087 -4.570) 12.173 4.386 ( -5.240 7.980 9.515) 13.478 4.783 ( -5.848 4.750 -3.733) 8.408 4.904 ( 2.258 -5.872 -5.113) 8.107 5.300 ( 12.182 8.431 11.068) 18.493 5.565 ( 5.077 -3.026 3.868) 7.063 5.977 ( -1.610 -8.952 14.441) 17.066 6.148 ( 3.552 -1.698 -22.965) 23.300 6.492 ( -4.464 11.054 14.067) 18.439 6.868 ( 12.446 -2.348 -3.130) 13.047 7.220 ( -4.639 2.241 -3.291) 6.113 7.503 ( 16.212 6.612 9.041) 19.705 7.845 ( -5.339 -13.850 -13.243) 19.892 8.066 ( -3.641 -0.472 1.173) 3.855 8.850 ( 6.862 -3.802 -3.467) 8.577 9.136 ( -19.448 7.731 -8.327) 22.524 9.298 ( -22.735 -5.866 1.878) 23.554 9.382 ( -7.321 -13.793 -11.480) 19.381 10.092 ( 8.180 3.671 -4.909) 10.222 10.163 ( -2.439 4.715 -14.484) 15.426 10.494 ( 4.852 8.862 -2.316) 10.365 11.088 ( -12.750 -12.179 21.632) 27.908 11.112 ( 7.246 -16.070 11.340) 20.960 11.585 ( -5.654 -18.673 -13.883) 23.946 11.806 ( 15.233 11.784 2.886) 19.474 12.317 ( -0.467 16.978 -9.622) 19.521 12.845 ( -5.962 5.655 5.953) 10.147 13.215 ( -11.724 10.341 13.072) 20.378 14.265 ( 10.426 2.370 1.788) 10.840 14.941 ( 2.906 0.962 6.244) 6.954 15.639 ( 4.739 -9.023 -14.029) 17.340 16.307 ( -10.778 -3.941 12.904) 17.269 16.687 ( -7.933 2.928 0.779) 8.492 18.243 ( 6.162 3.732 -0.236) 7.208 19.539 ( 6.087 -7.066 -7.769) 12.139 ======================= Grid point 94 (39/205) ======================= q-point: ( 0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -3.139 7.942 3.121) 9.092 2.484 ( -4.784 2.697 1.314) 5.647 3.309 ( 1.679 -13.345 6.877) 15.106 3.450 ( 11.229 3.582 -8.224) 14.372 3.645 ( -1.282 -1.209 -8.134) 8.323 3.780 ( -10.486 6.610 -11.229) 16.726 3.881 ( 4.729 3.212 2.367) 6.187 4.048 ( 2.087 12.105 2.123) 12.466 4.445 ( 2.385 7.213 12.523) 14.647 4.663 ( -6.571 4.571 4.740) 9.303 4.836 ( -0.356 -3.281 -11.271) 11.745 5.474 ( 0.421 4.911 1.806) 5.250 5.666 ( 1.197 -3.126 4.684) 5.758 5.899 ( -4.054 -1.867 -11.324) 12.172 6.221 ( 4.389 -2.992 5.821) 7.881 6.532 ( -1.770 9.171 12.669) 15.740 7.101 ( -1.221 -2.944 -6.354) 7.109 7.225 ( 11.565 0.612 8.869) 14.587 7.708 ( 5.783 -10.323 -3.574) 12.361 8.007 ( 11.148 0.624 -0.787) 11.193 8.055 ( 16.181 7.356 2.517) 17.952 8.577 ( -18.674 3.250 -1.108) 18.987 8.692 ( -33.000 -1.776 -0.028) 33.048 9.104 ( 10.980 -7.803 -3.568) 13.935 9.293 ( 0.656 -13.188 -5.175) 14.182 10.025 ( 0.607 -2.661 -10.366) 10.719 10.224 ( 12.027 12.705 -13.788) 22.275 10.546 ( 1.632 4.542 -0.368) 4.840 10.982 ( -15.270 -6.692 17.434) 24.122 11.211 ( -8.182 -21.334 -12.412) 26.003 11.496 ( 8.336 -17.062 9.340) 21.163 12.131 ( 14.675 7.885 -7.216) 18.155 12.218 ( -0.566 21.583 -3.008) 21.798 12.759 ( -8.936 8.789 7.469) 14.590 13.121 ( -8.644 7.070 12.939) 17.092 14.421 ( 3.248 2.400 5.961) 7.200 15.011 ( -1.056 0.102 4.585) 4.706 15.634 ( 7.961 -7.006 -15.716) 18.959 16.210 ( -9.500 -6.928 10.111) 15.507 16.579 ( -3.262 3.689 -1.546) 5.162 18.341 ( 2.935 3.614 2.417) 5.245 19.587 ( 4.613 -6.017 -4.121) 8.630 ======================= Grid point 95 (40/205) ======================= q-point: (-0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -8.237 5.776 0.707) 10.085 2.407 ( -3.389 2.902 -2.879) 5.310 2.917 ( -26.159 -3.879 -9.374) 28.057 3.278 ( -11.401 15.280 -17.451) 25.845 3.566 ( 0.726 -10.353 -4.779) 11.426 3.859 ( 3.953 7.133 -9.095) 12.216 3.931 ( -0.781 2.431 3.973) 4.722 4.174 ( 9.114 3.234 8.263) 12.720 4.598 ( -5.834 4.034 6.995) 9.962 4.654 ( 9.303 -4.073 -8.720) 13.386 4.826 ( 6.092 10.138 11.130) 16.241 5.399 ( -7.073 3.926 -2.015) 8.337 5.667 ( -4.529 -0.752 0.348) 4.604 5.727 ( -5.403 -6.092 -6.176) 10.220 6.195 ( -8.454 7.482 0.089) 11.290 6.667 ( 3.204 -7.378 8.569) 11.753 7.006 ( -1.798 2.506 2.344) 3.873 7.367 ( 2.121 4.930 6.057) 8.093 7.810 ( -22.796 -2.915 0.513) 22.987 7.963 ( -2.507 6.560 -4.608) 8.399 8.023 ( -5.357 -11.103 1.938) 12.479 8.602 ( 20.411 -0.267 0.485) 20.419 8.751 ( 31.742 5.464 2.253) 32.288 9.281 ( 2.410 -7.410 7.061) 10.515 9.357 ( 15.010 -14.472 -5.219) 21.493 9.982 ( 3.853 -6.319 -10.229) 12.626 10.316 ( 9.104 9.083 -13.056) 18.325 10.541 ( -3.392 -1.729 -0.447) 3.833 10.768 ( -13.134 -1.690 0.311) 13.246 10.957 ( -9.634 -10.735 0.026) 14.424 11.672 ( 2.470 -5.234 -4.241) 7.175 12.010 ( -11.297 12.324 1.628) 16.797 12.450 ( 15.011 7.474 -0.992) 16.798 12.705 ( -1.558 6.648 7.181) 9.909 13.110 ( -4.715 4.926 13.139) 14.803 14.498 ( -2.320 -0.368 9.768) 10.047 14.976 ( -4.653 -1.291 1.736) 5.131 15.654 ( 7.573 1.254 -16.519) 18.215 16.125 ( -7.958 -8.089 8.430) 14.136 16.544 ( 2.054 2.759 -2.911) 4.506 18.385 ( -1.517 3.374 4.549) 5.863 19.645 ( 4.086 -6.870 -1.977) 8.234 ======================= Grid point 96 (41/205) ======================= q-point: (-0.33 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -19.509 8.187 -7.148) 22.333 2.185 ( -23.679 3.661 -4.896) 24.456 2.423 ( -10.398 -1.880 -8.155) 13.348 3.029 ( -4.696 18.798 -8.677) 21.230 3.471 ( -7.731 -7.922 -1.301) 11.145 3.740 ( -14.398 11.675 -0.554) 18.545 3.879 ( 3.492 -1.814 -7.706) 8.653 4.362 ( -0.214 -1.227 1.047) 1.627 4.601 ( -0.626 5.169 2.728) 5.878 4.658 ( 6.625 -6.421 -5.660) 10.824 5.028 ( -7.203 7.256 7.596) 12.737 5.232 ( -5.988 3.206 3.036) 7.440 5.539 ( 0.928 -4.175 -5.500) 6.967 5.656 ( -2.833 -1.713 5.283) 6.235 6.101 ( 3.496 13.780 -2.702) 14.471 6.714 ( -2.127 -16.231 2.324) 16.534 6.987 ( -17.660 -4.166 3.116) 18.410 7.249 ( -8.170 5.634 -2.485) 10.230 7.590 ( 7.762 9.940 13.650) 18.584 7.911 ( 5.057 -0.433 -8.598) 9.984 8.120 ( 5.832 -6.095 1.325) 8.539 8.907 ( 6.673 -5.382 0.514) 8.589 9.340 ( 22.997 2.281 -2.996) 23.303 9.433 ( 9.631 -4.685 6.844) 12.710 9.682 ( 19.337 -15.954 -1.461) 25.112 9.999 ( 4.704 -12.331 -9.477) 16.248 10.224 ( -10.641 -4.794 2.769) 11.995 10.493 ( 8.953 6.194 -8.926) 14.078 10.692 ( 4.262 7.268 -4.047) 9.347 10.810 ( -8.886 1.161 5.921) 10.741 11.469 ( -10.347 13.805 -16.089) 23.590 11.866 ( -8.164 1.127 5.996) 10.192 12.705 ( 12.388 -0.473 -5.267) 13.470 12.813 ( 3.348 4.400 14.966) 15.955 13.147 ( -2.853 3.187 12.405) 13.122 14.460 ( -11.398 -11.447 8.843) 18.416 14.926 ( -1.844 3.626 5.185) 6.590 15.625 ( 4.856 12.152 -17.608) 21.938 16.040 ( -7.213 -5.455 5.556) 10.614 16.620 ( 7.854 0.403 -1.848) 8.079 18.358 ( -5.699 3.002 5.493) 8.466 19.690 ( 2.117 -10.366 -2.960) 10.986 ======================= Grid point 97 (42/205) ======================= q-point: (-0.22 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -22.957 17.202 -5.760) 29.259 1.579 ( -32.626 11.401 0.741) 34.569 2.271 ( -4.575 -0.096 -5.981) 7.531 2.658 ( -34.321 24.902 -3.978) 42.589 3.304 ( -7.616 -6.357 3.560) 10.539 3.578 ( -1.526 9.377 5.565) 11.011 3.883 ( 2.791 -0.965 -6.741) 7.359 4.271 ( -6.109 -3.461 -2.009) 7.303 4.490 ( -4.243 0.669 -10.088) 10.964 4.807 ( -10.979 -9.916 1.727) 14.895 4.844 ( 4.744 -4.216 5.980) 8.720 5.167 ( -3.319 4.780 -1.427) 5.991 5.555 ( 1.430 -0.041 -3.790) 4.051 5.761 ( 6.414 4.867 9.795) 12.680 6.267 ( 12.463 10.105 -2.955) 16.315 6.472 ( -22.625 -6.092 -0.484) 23.436 6.715 ( -3.871 -4.994 1.194) 6.431 7.314 ( 9.546 -3.077 -1.856) 10.200 7.847 ( 6.208 -4.073 6.056) 9.582 8.043 ( 14.723 9.187 -1.742) 17.441 8.251 ( 8.143 -1.149 -1.881) 8.436 8.917 ( -3.657 -11.783 -2.376) 12.564 9.408 ( -6.182 -17.060 -1.522) 18.209 9.633 ( 5.046 -0.263 -11.382) 12.453 9.859 ( -4.812 -6.673 1.564) 8.375 9.977 ( 13.046 9.209 0.750) 15.987 10.328 ( 3.793 -3.479 4.308) 6.712 10.554 ( -5.303 2.163 3.909) 6.934 10.732 ( 2.149 -4.440 -3.202) 5.881 10.865 ( 15.968 12.720 -5.573) 21.162 11.275 ( 8.237 17.358 -6.431) 20.261 11.760 ( -4.627 -1.515 -2.857) 5.645 12.815 ( 4.518 0.726 -2.277) 5.111 13.020 ( 1.531 0.196 15.627) 15.703 13.210 ( -0.246 0.192 9.408) 9.413 14.198 ( -21.538 -24.965 3.605) 33.168 14.998 ( 1.303 5.166 7.320) 9.054 15.629 ( 11.250 29.552 -4.311) 31.913 15.961 ( -4.364 -1.943 2.294) 5.299 16.783 ( 9.901 -0.739 -0.949) 9.974 18.268 ( -8.281 2.599 5.128) 10.081 19.622 ( -5.901 -18.095 -10.329) 21.655 ======================= Grid point 98 (43/205) ======================= q-point: (-0.11 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -25.087 19.402 -2.053) 31.780 1.200 ( -17.478 31.373 17.519) 39.958 1.894 ( -35.977 39.493 16.580) 55.937 2.145 ( -7.343 4.021 -2.244) 8.667 3.221 ( -6.286 -15.030 3.222) 16.607 3.662 ( -2.208 6.098 7.557) 9.958 3.871 ( 2.168 8.589 -4.159) 9.786 4.123 ( -7.220 -5.788 -1.246) 9.337 4.362 ( 1.062 -5.805 -8.077) 10.003 4.544 ( -12.707 -12.079 -5.786) 18.462 4.990 ( 3.606 -3.326 4.160) 6.432 5.098 ( -2.822 3.624 -0.897) 4.680 5.526 ( -0.582 -0.738 -5.580) 5.659 5.946 ( 2.560 -1.090 1.972) 3.410 6.180 ( -5.381 8.171 -2.055) 9.997 6.378 ( 3.332 7.655 1.130) 8.425 6.696 ( -1.421 -1.521 5.338) 5.730 7.549 ( 16.447 -8.216 -3.234) 18.668 7.946 ( 3.100 -8.035 -1.314) 8.712 8.289 ( 4.455 0.338 3.569) 5.718 8.396 ( 11.842 10.621 -6.261) 17.095 8.727 ( -7.424 -16.564 -14.224) 23.061 9.263 ( -7.035 -10.252 5.475) 13.585 9.600 ( 2.217 3.446 -9.183) 10.056 9.780 ( -5.343 -6.600 1.092) 8.561 10.158 ( -5.051 7.457 -9.960) 13.428 10.307 ( 7.285 8.223 8.124) 13.663 10.541 ( 0.751 2.267 2.450) 3.421 10.726 ( 2.529 4.317 7.352) 8.893 11.163 ( 18.167 2.583 -7.723) 19.909 11.552 ( 4.939 4.137 5.435) 8.429 11.713 ( 13.993 1.911 -10.651) 17.688 12.868 ( 0.280 4.056 4.801) 6.291 13.086 ( -4.840 -2.087 8.377) 9.897 13.231 ( -5.969 -4.219 1.076) 7.389 13.741 ( -27.526 -24.071 3.470) 36.731 14.970 ( -2.740 8.659 -9.445) 13.103 15.887 ( -1.809 -2.950 -0.524) 3.500 16.323 ( 48.954 28.782 35.353) 66.894 16.951 ( 7.977 -0.694 -0.456) 8.020 18.151 ( -6.872 2.823 3.328) 8.140 19.138 ( -34.478 -22.595 -25.054) 48.238 ======================= Grid point 99 (44/205) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 13.548 35.574 -6.328) 38.589 1.684 ( -12.456 35.222 0.345) 37.361 2.177 ( 2.253 6.104 0.672) 6.541 2.730 ( 0.214 14.758 16.216) 21.927 2.998 ( 7.742 17.419 19.736) 27.438 3.739 ( -12.189 -2.132 -1.723) 12.493 3.911 ( 2.479 2.667 5.341) 6.464 4.066 ( 5.080 -3.622 -3.150) 6.989 4.335 ( 0.409 0.338 -1.573) 1.660 4.371 ( 9.506 4.356 4.258) 11.290 4.926 ( -2.908 -2.828 0.299) 4.068 5.129 ( 1.090 -0.538 -0.406) 1.282 5.384 ( -0.963 -6.510 -5.958) 8.877 5.762 ( -1.435 -12.548 8.527) 15.239 6.286 ( -5.228 12.376 -6.973) 15.137 6.678 ( 2.856 5.775 4.560) 7.893 6.734 ( -2.189 4.087 6.423) 7.922 7.643 ( 7.428 -0.507 -3.323) 8.154 7.787 ( -2.527 -9.023 -0.339) 9.376 7.868 ( -7.408 -21.479 -10.547) 25.049 8.334 ( 5.776 -6.335 -0.274) 8.577 8.934 ( 9.324 9.792 -6.614) 15.052 9.182 ( -3.284 -2.771 6.354) 7.671 9.306 ( -4.981 -13.525 -11.700) 18.564 9.735 ( 7.839 -4.537 -1.243) 9.142 9.853 ( -10.164 -2.103 1.699) 10.518 10.499 ( -0.476 6.822 -10.755) 12.745 10.709 ( 2.102 9.743 -1.171) 10.036 10.915 ( 3.554 -6.343 0.498) 7.288 11.283 ( -0.820 1.320 -8.564) 8.704 11.708 ( 3.727 0.576 9.464) 10.188 11.940 ( 6.349 -0.333 -12.777) 14.272 12.821 ( -12.292 2.475 -3.707) 13.075 13.029 ( -3.935 -0.780 9.193) 10.030 13.083 ( 6.929 3.100 7.223) 10.479 13.446 ( -3.671 -1.826 13.823) 14.418 15.053 ( -2.613 10.784 -7.134) 13.191 15.746 ( -1.931 -5.403 -4.948) 7.576 17.015 ( 1.245 -1.231 1.640) 2.398 17.078 ( -9.783 -5.044 8.416) 13.856 18.185 ( -3.573 2.688 -2.060) 4.923 18.468 ( 13.010 -2.001 -1.131) 13.212 ======================= Grid point 100 (45/205) ======================= q-point: ( 0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 12.054 24.410 6.882) 28.080 1.797 ( 19.437 21.021 5.299) 29.116 2.338 ( 11.577 4.347 3.347) 12.811 2.842 ( 7.713 -1.557 1.301) 7.975 3.487 ( 10.426 16.514 15.331) 24.828 3.599 ( -0.149 15.486 17.238) 23.173 3.978 ( 2.061 -2.368 2.876) 4.257 4.132 ( 5.305 -0.754 -3.271) 6.277 4.397 ( 8.272 -1.511 -3.519) 9.116 4.627 ( 8.501 2.393 3.689) 9.571 4.860 ( -1.273 2.981 4.051) 5.188 5.168 ( 2.624 -1.189 -0.592) 2.941 5.343 ( 1.735 -4.555 -5.791) 7.569 5.821 ( -1.539 -13.175 8.395) 15.698 6.142 ( -3.594 8.626 -4.570) 10.403 6.687 ( -3.248 4.233 4.892) 7.239 6.730 ( -3.336 4.330 2.200) 5.892 7.567 ( -8.096 -5.484 -3.990) 10.561 7.734 ( -2.740 -9.568 -7.017) 12.177 7.782 ( 2.212 -5.428 -1.589) 6.073 8.325 ( -4.124 4.672 -9.498) 11.360 8.894 ( -9.252 4.336 -3.277) 10.730 9.166 ( 1.015 -19.638 -0.942) 19.687 9.227 ( 7.402 -7.147 -1.047) 10.343 9.695 ( -4.349 -5.782 -1.048) 7.311 9.955 ( 10.387 0.171 -5.807) 11.901 10.427 ( -0.138 4.865 -6.997) 8.523 10.762 ( 5.180 10.116 -2.055) 11.549 10.905 ( -4.361 -7.988 2.507) 9.440 11.135 ( -9.793 0.833 -2.861) 10.236 11.702 ( -8.576 -8.705 -8.349) 14.800 11.820 ( -6.027 3.723 0.537) 7.105 12.660 ( 0.019 9.342 -7.467) 11.960 13.031 ( -4.102 2.646 7.708) 9.124 13.371 ( 8.447 1.013 13.183) 15.689 13.558 ( 8.665 -0.278 10.205) 13.390 14.953 ( -2.068 9.818 -4.688) 11.074 15.647 ( -2.627 -6.490 -8.150) 10.744 16.742 ( -23.319 3.459 9.073) 25.260 16.979 ( -6.577 -1.741 2.837) 7.372 18.151 ( 3.123 5.759 -1.926) 6.829 18.908 ( 24.221 -13.689 -4.346) 28.158 ======================= Grid point 101 (46/205) ======================= q-point: ( 0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 20.552 5.745 9.708) 23.444 2.198 ( 15.233 11.169 11.606) 22.169 2.546 ( 4.391 2.659 6.198) 8.048 3.073 ( 15.218 -2.285 -2.853) 15.650 3.546 ( 4.407 1.362 1.949) 5.007 3.863 ( 0.239 19.733 9.063) 21.716 4.108 ( 6.898 4.942 1.448) 8.608 4.240 ( 5.166 0.357 4.445) 6.825 4.604 ( 14.208 0.072 1.863) 14.330 4.632 ( -2.686 4.522 -2.544) 5.843 5.030 ( 5.761 3.344 0.617) 6.690 5.196 ( 2.820 6.637 5.437) 9.031 5.370 ( 5.239 -4.224 -1.034) 6.809 5.809 ( -7.105 -6.648 11.911) 15.381 6.091 ( 2.484 -3.835 -8.925) 10.027 6.674 ( -2.757 4.445 2.390) 5.751 6.712 ( 3.094 3.937 2.918) 5.795 7.419 ( -3.461 -8.001 -6.234) 10.717 7.528 ( -9.188 4.113 -6.482) 11.972 7.811 ( 0.002 0.411 -1.650) 1.701 8.121 ( -7.765 -0.646 -5.005) 9.261 8.731 ( -1.966 -1.514 -4.277) 4.945 9.138 ( 2.543 -14.317 -12.098) 18.915 9.384 ( -4.157 -15.130 7.161) 17.247 9.657 ( 1.736 -2.244 -0.213) 2.846 9.991 ( -0.584 0.599 -5.230) 5.297 10.296 ( -10.153 3.257 -2.069) 10.862 10.760 ( -3.322 0.065 -1.094) 3.498 10.901 ( -6.371 -7.828 10.143) 14.309 10.912 ( -2.254 8.600 -8.375) 12.214 11.460 ( -6.397 -12.422 -11.086) 17.836 11.779 ( 5.285 4.688 -3.186) 7.750 12.658 ( 4.787 14.237 -6.757) 16.470 13.005 ( -5.578 5.080 8.651) 11.478 13.474 ( -7.361 6.140 16.583) 19.154 13.950 ( 19.955 -3.806 4.642) 20.839 14.915 ( 0.259 5.631 0.300) 5.644 15.518 ( -2.458 -8.964 -10.554) 14.063 16.463 ( -15.393 4.144 10.007) 18.821 16.846 ( -9.189 -1.729 2.748) 9.746 18.237 ( 7.020 7.075 -2.172) 10.200 19.209 ( 13.478 -14.114 -6.803) 20.668 ======================= Grid point 102 (47/205) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 3.841 3.558 3.954) 6.561 2.603 ( -3.113 2.616 5.338) 6.710 2.697 ( 21.171 -1.406 16.335) 26.777 3.284 ( 9.604 -6.303 -2.773) 11.818 3.714 ( 10.814 10.310 -1.487) 15.015 3.905 ( 0.677 10.046 3.152) 10.551 4.114 ( 0.827 2.688 -16.487) 16.725 4.326 ( -1.560 9.925 5.641) 11.522 4.571 ( -2.786 7.131 0.885) 7.707 4.811 ( 1.489 -1.034 2.372) 2.986 4.929 ( -4.545 8.648 -4.472) 10.744 5.407 ( 5.260 -1.910 6.801) 8.807 5.564 ( 8.488 7.084 9.393) 14.507 5.821 ( -2.345 -6.505 13.256) 14.951 6.061 ( 5.492 -6.708 -10.505) 13.621 6.679 ( -2.874 5.364 6.718) 9.064 6.856 ( 15.267 1.375 -8.035) 17.307 7.248 ( -4.980 -1.448 -9.103) 10.477 7.499 ( 9.152 -4.782 -1.550) 10.442 7.732 ( -5.187 4.130 -0.299) 6.637 8.048 ( 1.749 0.122 2.981) 3.458 8.747 ( 5.358 -7.271 -4.065) 9.904 9.046 ( -5.898 -13.155 -9.295) 17.154 9.176 ( -16.355 -5.755 2.021) 17.455 9.381 ( -25.307 8.681 -3.859) 27.032 10.061 ( -12.233 -4.730 -0.950) 13.150 10.130 ( 13.177 -5.077 1.708) 14.224 10.679 ( -6.680 -0.283 1.044) 6.767 10.840 ( 1.430 -10.260 10.758) 14.935 10.957 ( 4.462 -0.999 -9.275) 10.341 11.234 ( -6.306 -7.373 -9.440) 13.537 11.977 ( 18.942 3.839 -11.149) 22.313 12.686 ( 1.507 19.500 -2.660) 19.738 12.983 ( -4.334 7.529 9.163) 12.626 13.409 ( -13.936 7.681 16.290) 22.772 14.286 ( 11.834 -1.930 2.417) 12.231 14.970 ( 2.838 1.950 4.419) 5.602 15.397 ( 0.102 -12.958 -11.040) 17.024 16.296 ( -11.264 2.686 8.674) 14.468 16.703 ( -7.113 -1.511 0.636) 7.300 18.356 ( 6.440 7.583 -0.772) 9.979 19.344 ( 7.388 -11.872 -5.643) 15.078 ======================= Grid point 103 (48/205) ======================= q-point: ( 0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -2.924 4.406 2.935) 6.048 2.540 ( -5.649 2.034 2.561) 6.527 3.080 ( 3.125 -8.463 6.639) 11.201 3.374 ( 1.634 -7.890 -2.639) 8.478 3.802 ( 5.305 11.823 -19.054) 23.043 3.944 ( -1.895 9.069 -1.652) 9.411 3.999 ( 6.167 10.662 -4.258) 13.032 4.307 ( -1.212 12.235 2.522) 12.551 4.528 ( 0.455 0.836 -6.410) 6.480 4.728 ( -6.458 0.560 0.571) 6.507 4.938 ( 0.324 14.348 11.504) 18.393 5.521 ( 2.176 -4.098 4.013) 6.134 5.631 ( -3.553 3.906 2.200) 5.720 5.826 ( -5.722 -4.629 1.951) 7.615 6.184 ( 6.658 -3.131 -1.302) 7.472 6.685 ( -1.197 4.562 8.179) 9.441 7.001 ( 3.437 -4.884 -11.680) 13.118 7.278 ( 10.638 3.671 7.945) 13.776 7.597 ( 4.122 2.063 -3.083) 5.545 7.884 ( 19.728 -11.763 -1.047) 22.993 8.199 ( 8.510 4.169 1.277) 9.562 8.597 ( -21.494 -4.752 -2.911) 22.204 8.668 ( -20.145 4.224 -2.489) 20.733 8.990 ( 0.943 -9.411 0.554) 9.474 9.119 ( -1.299 0.538 0.474) 1.484 9.854 ( -7.472 -12.081 -2.411) 14.409 10.336 ( 8.259 0.256 -4.264) 9.298 10.555 ( -8.020 -7.407 0.259) 10.920 10.819 ( -5.394 -15.302 -8.268) 18.210 11.008 ( 6.383 0.073 -1.436) 6.543 11.249 ( 7.397 2.552 10.285) 12.923 12.208 ( 16.940 -0.028 -18.470) 25.061 12.661 ( -1.765 21.352 -1.514) 21.479 12.976 ( -6.990 12.786 10.978) 18.244 13.261 ( -13.177 5.496 14.411) 20.286 14.438 ( 2.680 -2.542 1.964) 4.184 15.023 ( -1.291 1.269 1.179) 2.161 15.402 ( 8.149 -13.950 -3.786) 16.594 16.171 ( -8.791 2.607 6.560) 11.275 16.599 ( -3.047 -1.533 -2.198) 4.058 18.452 ( 3.143 7.539 1.429) 8.292 19.415 ( 4.448 -10.773 -3.357) 12.129 ======================= Grid point 104 (49/205) ======================= q-point: (-0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -8.075 5.068 -0.517) 9.548 2.457 ( -3.718 1.242 -2.639) 4.726 2.855 ( -21.901 -1.846 -4.209) 22.378 3.321 ( -3.371 -10.773 -5.937) 12.754 3.637 ( -2.574 15.839 -15.104) 22.037 3.950 ( -1.035 5.374 -4.169) 6.880 4.146 ( 8.804 14.893 -3.906) 17.736 4.310 ( 1.697 9.667 1.721) 9.965 4.531 ( 5.063 -6.101 -11.890) 14.291 4.632 ( -5.136 0.971 7.996) 9.552 5.124 ( 6.364 15.228 16.282) 23.184 5.490 ( -7.021 4.694 -1.813) 8.638 5.586 ( -3.535 -7.156 -3.195) 8.598 5.671 ( -9.337 2.064 4.407) 10.529 6.228 ( 0.728 -7.981 1.092) 8.088 6.634 ( -7.812 8.169 -2.588) 11.596 7.039 ( 4.473 -0.278 2.466) 5.115 7.506 ( 4.751 6.482 11.045) 13.660 7.719 ( 2.647 -6.927 0.504) 7.433 7.789 ( -25.368 -7.000 -2.709) 26.455 8.092 ( -6.358 5.578 -3.435) 9.129 8.607 ( 20.128 0.124 -1.154) 20.162 8.782 ( 29.510 -2.870 -1.730) 29.700 9.048 ( 2.701 -14.468 4.239) 15.316 9.176 ( 4.632 -6.098 -0.044) 7.658 9.727 ( -2.528 -17.817 -7.691) 19.570 10.297 ( -6.778 -4.165 -0.632) 7.980 10.490 ( 3.424 -0.517 -2.432) 4.232 10.720 ( -2.002 -4.705 0.099) 5.114 11.076 ( 7.139 14.275 -10.784) 19.262 11.504 ( 3.494 -5.791 16.819) 18.128 12.237 ( -1.269 5.275 -12.729) 13.837 12.639 ( 5.978 12.669 -10.223) 17.342 12.891 ( -10.141 11.237 13.881) 20.537 13.213 ( -4.522 4.696 11.055) 12.834 14.414 ( -6.321 -9.201 -0.793) 11.191 14.995 ( -1.117 3.805 2.546) 4.712 15.578 ( 9.301 -8.760 1.681) 12.887 16.079 ( -5.289 4.143 3.633) 7.638 16.558 ( 1.666 -1.425 -3.785) 4.375 18.489 ( -1.427 7.121 3.232) 7.949 19.455 ( 1.792 -11.673 -1.959) 11.972 ======================= Grid point 105 (50/205) ======================= q-point: (-0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -11.836 9.200 -5.734) 16.050 2.321 ( -14.003 8.320 -5.866) 17.312 2.393 ( -13.354 -0.023 -3.006) 13.688 3.223 ( -1.650 -9.656 -3.588) 10.432 3.447 ( -6.057 13.259 -12.694) 19.330 3.908 ( -0.891 6.917 -1.325) 7.099 4.026 ( -11.060 13.856 -3.789) 18.129 4.387 ( -5.163 0.871 -5.630) 7.688 4.525 ( 8.437 -2.572 -4.629) 9.961 4.680 ( 1.305 3.062 7.727) 8.413 5.173 ( -22.306 7.122 -2.427) 23.540 5.325 ( -3.113 2.610 3.221) 5.184 5.484 ( 3.962 -1.572 -1.954) 4.689 5.665 ( -1.810 3.434 14.129) 14.653 6.269 ( 1.648 -8.211 3.295) 9.000 6.491 ( -1.073 9.677 -5.721) 11.293 6.991 ( -18.201 2.959 2.472) 18.605 7.326 ( -4.092 -3.459 -2.674) 5.988 7.658 ( -2.795 -1.071 -1.395) 3.303 7.804 ( 9.734 -3.827 7.176) 12.685 8.158 ( 9.850 6.919 3.014) 12.409 8.813 ( 1.275 -3.875 -0.256) 4.087 9.091 ( -5.758 -25.261 -5.477) 26.482 9.327 ( 12.645 -16.232 0.521) 20.582 9.385 ( 30.647 -3.756 -3.304) 31.052 9.673 ( 10.549 -16.255 -8.660) 21.225 10.296 ( 2.313 8.790 8.775) 12.634 10.557 ( 5.782 1.696 -1.712) 6.264 10.710 ( -1.897 1.428 5.072) 5.600 11.116 ( 7.287 18.646 -11.156) 22.918 11.572 ( -3.884 -1.299 -0.404) 4.115 12.010 ( -15.511 10.330 4.252) 19.115 12.715 ( 11.824 1.812 -14.279) 18.628 12.903 ( -1.171 4.453 14.353) 15.073 13.220 ( -4.086 3.822 8.741) 10.378 14.187 ( -15.251 -15.110 -3.511) 21.754 15.046 ( 1.415 7.826 7.416) 10.874 15.736 ( 5.013 -4.653 2.919) 7.436 16.046 ( 0.921 9.156 -0.018) 9.202 16.611 ( 6.919 -1.564 -2.720) 7.597 18.451 ( -5.767 6.307 3.923) 9.404 19.429 ( -3.168 -14.726 -3.053) 15.369 ======================= Grid point 106 (51/205) ======================= q-point: (-0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -14.228 17.143 -10.468) 24.615 1.956 ( -15.662 23.456 8.706) 29.517 2.290 ( -1.290 1.844 -5.331) 5.787 3.142 ( -10.618 7.560 -1.047) 13.076 3.170 ( -11.433 2.983 -10.866) 16.052 3.741 ( -12.321 8.455 7.883) 16.895 3.955 ( 3.202 7.264 -1.346) 8.051 4.201 ( -6.794 -2.910 -7.068) 10.227 4.526 ( -2.920 2.547 -4.325) 5.807 4.699 ( -22.359 2.799 -3.737) 22.842 4.812 ( 3.923 0.083 6.751) 7.808 5.225 ( -4.558 -0.162 -2.137) 5.036 5.513 ( 0.691 -4.518 -4.033) 6.096 5.790 ( -1.930 -5.362 12.825) 14.034 6.319 ( -0.496 -1.538 6.068) 6.280 6.515 ( 6.382 13.146 -3.794) 15.097 6.688 ( -9.120 3.018 1.482) 9.720 7.371 ( 6.253 3.601 -1.391) 7.348 7.632 ( 3.843 -10.761 -4.553) 12.301 8.056 ( 8.612 -6.992 7.056) 13.147 8.377 ( 8.707 7.179 -2.466) 11.551 8.724 ( -4.783 -8.238 -10.456) 14.145 8.915 ( -3.748 -23.635 3.628) 24.204 9.436 ( 4.877 -23.158 -7.196) 24.736 9.712 ( 6.370 -0.307 1.037) 6.461 10.075 ( 24.293 -3.651 1.879) 24.638 10.390 ( 2.495 7.819 -1.030) 8.272 10.666 ( 4.699 0.487 -1.773) 5.046 10.711 ( -5.399 9.369 8.550) 13.785 11.183 ( 9.524 17.983 -9.992) 22.670 11.502 ( 8.838 1.861 -11.277) 14.448 11.788 ( -14.485 6.636 9.653) 18.629 12.815 ( 9.836 -0.369 -10.247) 14.208 13.033 ( -1.780 0.735 17.005) 17.113 13.207 ( -2.992 -0.262 5.357) 6.142 13.809 ( -21.681 -14.998 -0.988) 26.381 15.132 ( 1.111 8.147 4.790) 9.515 15.810 ( 0.036 -5.510 3.154) 6.349 16.184 ( 15.224 18.358 2.640) 23.995 16.759 ( 9.615 -1.653 -0.595) 9.774 18.346 ( -8.245 5.131 3.335) 10.267 19.242 ( -13.306 -18.108 -7.316) 23.632 ======================= Grid point 107 (52/205) ======================= q-point: (-0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -6.982 30.073 -11.363) 32.898 1.894 ( -7.339 35.154 12.428) 38.001 2.202 ( -3.498 5.322 -2.657) 6.901 2.729 ( -19.914 33.453 5.351) 39.298 2.983 ( -8.878 -6.507 2.992) 11.407 3.764 ( 3.517 0.223 10.301) 10.887 3.962 ( -5.151 -1.281 -0.601) 5.342 4.073 ( -1.145 -0.137 -5.387) 5.509 4.316 ( -9.135 5.359 -4.566) 11.533 4.415 ( -5.153 0.281 -2.847) 5.893 4.914 ( 1.848 -3.610 3.761) 5.531 5.148 ( -1.862 -0.154 -1.832) 2.616 5.464 ( -1.635 -6.144 -5.225) 8.229 5.768 ( -6.359 -12.999 7.824) 16.450 6.387 ( 1.079 11.606 -0.557) 11.669 6.554 ( 2.797 7.902 1.353) 8.491 6.693 ( 1.359 3.944 6.015) 7.320 7.503 ( 9.781 2.570 -4.230) 10.962 7.718 ( 5.929 -12.007 0.781) 13.414 8.201 ( -13.289 -18.935 -12.660) 26.371 8.221 ( 4.912 -11.814 2.285) 12.997 8.770 ( 12.310 10.487 -6.568) 17.454 9.034 ( 8.585 -7.569 8.327) 14.154 9.431 ( 2.054 -21.727 -10.444) 24.194 9.720 ( -4.282 2.990 1.615) 5.467 10.130 ( -16.468 -0.955 2.672) 16.711 10.604 ( -2.757 7.953 -5.392) 9.996 10.615 ( 17.080 6.887 -5.903) 19.339 10.753 ( 4.215 1.403 5.627) 7.169 11.299 ( 10.325 10.349 -12.444) 19.198 11.610 ( -4.958 -2.468 7.365) 9.215 11.764 ( 17.117 5.468 -7.083) 19.315 12.925 ( 7.921 0.320 -3.018) 8.483 13.046 ( -10.279 0.475 14.089) 17.447 13.150 ( -9.074 -3.715 -2.442) 10.105 13.467 ( -13.852 -7.675 11.888) 19.802 15.139 ( -1.080 8.963 -3.325) 9.620 15.802 ( -1.374 -5.373 -1.057) 5.646 16.691 ( 27.958 10.353 13.049) 32.544 16.932 ( 7.855 -1.143 1.026) 8.004 18.223 ( -5.627 4.139 1.399) 7.124 18.787 ( -25.210 -12.978 -10.457) 30.222 ======================= Grid point 108 (53/205) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 12.334 29.501 -7.101) 32.754 2.265 ( -2.740 13.878 -3.535) 14.581 2.398 ( -11.350 20.592 -0.394) 23.516 2.687 ( 0.791 -3.834 -6.352) 7.462 3.330 ( 12.382 -7.314 12.332) 18.944 3.622 ( -8.051 -5.334 -1.769) 9.818 3.876 ( 4.552 6.001 2.950) 8.090 4.164 ( 6.701 6.069 8.916) 12.698 4.450 ( -1.350 12.991 0.390) 13.067 4.565 ( 2.119 11.760 4.312) 12.703 4.877 ( -1.851 -1.627 4.683) 5.292 5.042 ( 3.030 -8.712 -3.739) 9.953 5.173 ( -3.167 -11.567 0.487) 12.003 5.506 ( -4.236 -12.978 11.904) 18.113 6.553 ( -4.380 13.705 -7.279) 16.124 6.794 ( 2.627 5.214 1.824) 6.117 6.883 ( -3.107 9.494 7.195) 12.311 7.441 ( -4.955 -18.725 -7.582) 20.801 7.622 ( -2.376 -6.469 -1.641) 7.084 7.670 ( 5.883 -0.969 0.514) 5.985 8.174 ( 9.900 -3.474 6.214) 12.193 8.839 ( 0.782 -25.054 -7.961) 26.300 9.100 ( 5.714 7.491 -6.935) 11.698 9.245 ( -1.439 0.853 0.096) 1.675 9.689 ( -2.999 1.512 -1.286) 3.596 9.845 ( -7.418 -1.476 -0.884) 7.615 10.611 ( -0.528 4.592 -8.912) 10.040 10.792 ( 2.090 -5.527 -5.710) 8.217 10.924 ( 2.396 11.256 0.063) 11.508 11.296 ( -2.577 -2.674 -6.812) 7.759 11.725 ( 3.352 2.912 -1.762) 4.777 11.916 ( 5.497 -2.555 -11.641) 13.124 12.874 ( -5.970 2.672 -1.676) 6.752 12.977 ( -0.300 -2.836 4.219) 5.092 13.180 ( 0.864 5.177 14.246) 15.182 13.382 ( -1.579 -4.203 16.018) 16.635 15.266 ( -2.371 10.250 -5.922) 12.073 15.619 ( -2.105 -7.160 -5.464) 9.250 16.994 ( 0.034 -0.769 2.478) 2.595 17.012 ( -5.144 -2.004 4.763) 7.291 18.248 ( -0.669 3.589 -1.866) 4.100 18.407 ( 5.531 -3.755 -0.889) 6.744 ======================= Grid point 109 (54/205) ======================= q-point: ( 0.11 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -1.364 23.128 -3.251) 23.395 2.231 ( 8.668 19.421 0.193) 21.268 2.440 ( 8.830 5.412 4.112) 11.143 2.763 ( 9.704 -5.788 -2.741) 11.627 3.390 ( 1.195 -7.366 -2.086) 7.749 3.783 ( 14.997 -14.051 2.192) 20.667 4.101 ( 10.897 16.268 9.608) 21.811 4.362 ( 0.290 17.709 7.371) 19.184 4.417 ( 4.799 5.585 1.380) 7.492 4.700 ( 3.530 3.142 -0.360) 4.739 4.927 ( 4.788 4.141 10.726) 12.455 5.086 ( 3.847 -5.366 -1.633) 6.802 5.180 ( 4.574 -11.092 -1.962) 12.158 5.542 ( -3.738 -13.663 13.946) 19.878 6.384 ( -6.961 14.073 -7.069) 17.218 6.813 ( -2.869 0.238 0.099) 2.881 6.833 ( -5.296 10.207 4.578) 12.377 7.330 ( 0.773 -9.878 -7.863) 12.649 7.552 ( -5.463 -7.177 2.431) 9.341 7.792 ( 5.701 0.152 1.509) 5.899 8.413 ( 6.807 1.333 -0.174) 6.938 8.732 ( -3.547 -13.961 -8.109) 16.530 9.005 ( -17.396 -1.659 1.424) 17.533 9.022 ( -4.584 -7.682 -0.312) 8.951 9.670 ( 2.220 2.850 -3.927) 5.336 9.903 ( 8.540 -5.079 -6.296) 11.763 10.536 ( 0.489 5.101 -8.726) 10.120 10.743 ( -2.192 -7.015 -3.914) 8.327 10.952 ( -0.789 8.357 0.851) 8.438 11.179 ( -4.458 0.181 -6.010) 7.484 11.615 ( -9.573 1.633 -8.213) 12.719 11.836 ( -2.254 -2.453 -9.021) 9.616 12.832 ( 4.052 7.811 -3.759) 9.569 13.045 ( 1.203 -1.514 6.159) 6.455 13.387 ( 6.905 1.334 15.734) 17.234 13.518 ( 1.901 -3.347 16.953) 17.384 15.155 ( -3.276 9.965 -6.733) 12.464 15.506 ( -3.650 -7.516 -8.366) 11.824 16.810 ( -16.092 3.275 4.386) 16.998 16.933 ( -7.913 -2.690 3.003) 8.881 18.283 ( 6.115 7.442 -1.926) 9.822 18.658 ( 16.879 -11.284 -1.779) 20.381 ======================= Grid point 110 (55/205) ======================= q-point: ( 0.22 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 8.902 10.492 1.779) 13.874 2.406 ( 7.092 7.355 7.342) 12.582 2.613 ( 4.151 3.825 6.851) 8.877 2.928 ( 7.866 -10.954 1.064) 13.527 3.589 ( 19.323 6.498 -2.047) 20.489 4.041 ( 11.521 -7.147 -2.421) 13.772 4.231 ( 0.991 12.659 -3.692) 13.223 4.439 ( 2.508 14.406 8.776) 17.054 4.615 ( 9.048 0.857 1.165) 9.163 4.688 ( 0.412 -0.426 -1.122) 1.269 5.107 ( 1.509 4.414 2.473) 5.280 5.253 ( 11.792 -0.910 5.205) 12.922 5.295 ( 10.557 -2.726 2.488) 11.184 5.599 ( -2.460 -12.003 14.270) 18.809 6.181 ( -8.193 10.449 -6.446) 14.760 6.661 ( -7.278 -7.379 -4.087) 11.141 6.851 ( 1.755 9.222 2.701) 9.768 7.320 ( 3.256 1.862 -4.990) 6.242 7.469 ( -4.917 -5.454 1.996) 7.610 7.889 ( 1.999 0.583 2.365) 3.151 8.234 ( -11.712 10.837 -11.175) 19.481 8.650 ( -5.467 -6.678 -7.380) 11.355 8.826 ( 0.362 -12.310 0.761) 12.339 9.059 ( 1.258 -15.819 10.260) 18.897 9.663 ( -0.512 2.591 -0.730) 2.740 9.909 ( -3.676 -7.522 -2.974) 8.884 10.433 ( -7.566 8.693 -7.224) 13.601 10.673 ( -3.179 -4.555 1.474) 5.747 10.817 ( -14.320 -1.010 4.367) 15.005 11.000 ( -8.974 -5.777 -10.359) 14.873 11.421 ( 3.622 10.326 -15.246) 18.767 11.799 ( 10.387 -3.097 -13.512) 17.322 12.934 ( 8.124 12.479 -1.512) 14.967 13.095 ( -2.831 3.479 9.699) 10.686 13.549 ( -5.233 2.324 18.738) 19.593 13.812 ( 14.646 -9.240 10.353) 20.176 15.051 ( -2.324 7.485 -4.200) 8.892 15.350 ( -4.657 -7.686 -9.403) 13.007 16.566 ( -13.492 5.780 5.198) 15.572 16.784 ( -9.694 -4.256 2.776) 10.946 18.411 ( 8.557 10.227 -2.300) 13.531 18.920 ( 12.776 -14.332 -3.825) 19.577 ======================= Grid point 111 (56/205) ======================= q-point: ( 0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 3.484 3.093 2.717) 5.393 2.559 ( -0.948 -4.345 7.738) 8.925 2.794 ( 10.231 6.983 8.500) 15.022 3.103 ( 7.948 -9.382 3.881) 12.894 3.902 ( 13.472 8.683 -4.522) 16.653 4.141 ( 4.189 -0.366 -10.917) 11.699 4.227 ( 3.808 18.519 -2.101) 19.023 4.497 ( -1.072 6.009 -0.146) 6.106 4.608 ( -0.334 -0.413 -6.895) 6.916 4.817 ( 2.200 -3.395 6.442) 7.607 5.124 ( 0.019 10.368 2.295) 10.618 5.367 ( 3.450 0.625 0.801) 3.596 5.648 ( 4.244 -3.756 12.546) 13.767 5.732 ( 11.745 -2.797 11.750) 16.847 5.984 ( -7.298 3.859 -3.691) 9.043 6.537 ( -0.992 -17.068 -5.084) 17.837 6.955 ( 10.763 8.769 -6.195) 15.203 7.344 ( 3.912 7.366 -4.554) 9.503 7.443 ( 1.436 0.664 2.865) 3.273 7.829 ( -6.413 5.969 -5.216) 10.197 8.075 ( 1.160 0.255 1.255) 1.728 8.527 ( -1.615 -16.058 -4.713) 16.813 8.833 ( -1.692 -3.936 -2.517) 4.969 9.054 ( -8.660 -6.538 3.116) 11.289 9.537 ( -17.579 6.245 4.300) 19.144 9.860 ( -8.471 -11.765 10.476) 17.886 10.156 ( -3.785 6.803 -5.095) 9.304 10.608 ( -12.575 -4.488 2.063) 13.510 10.693 ( -1.768 -5.050 6.828) 8.674 10.711 ( -3.591 -14.315 -13.469) 19.980 11.463 ( 13.355 17.832 -17.865) 28.557 11.961 ( 18.940 -5.115 -18.999) 27.310 13.045 ( -2.183 13.564 7.649) 15.725 13.141 ( 2.743 8.033 6.767) 10.856 13.531 ( -12.468 6.783 16.606) 21.846 14.131 ( 11.048 -13.741 3.962) 18.071 15.021 ( 1.137 3.224 0.978) 3.556 15.194 ( -3.729 -6.796 -7.114) 10.522 16.389 ( -9.812 5.964 4.591) 12.366 16.635 ( -7.525 -4.930 1.059) 9.058 18.546 ( 7.084 11.235 -1.486) 13.365 19.080 ( 8.008 -13.991 -3.728) 16.546 ======================= Grid point 112 (57/205) ======================= q-point: ( 0.44 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -2.406 2.010 2.681) 4.125 2.531 ( -5.578 -2.983 3.961) 7.463 3.002 ( 1.859 0.822 3.956) 4.447 3.218 ( 0.107 -7.386 0.706) 7.420 3.973 ( 3.962 6.784 -16.385) 18.170 4.115 ( 3.706 5.812 -3.840) 7.891 4.292 ( 3.953 12.579 -11.879) 17.747 4.462 ( 3.123 6.447 0.263) 7.168 4.536 ( -2.054 0.745 -4.774) 5.251 4.808 ( -5.746 3.823 2.468) 7.330 5.192 ( 2.196 9.438 7.654) 12.348 5.433 ( 1.735 -1.416 3.365) 4.042 5.679 ( -5.030 -2.472 2.384) 6.091 5.853 ( -4.286 10.003 9.201) 14.251 6.035 ( 2.530 -10.202 1.458) 10.612 6.562 ( 4.759 -15.647 5.722) 17.327 7.063 ( 7.717 10.521 -12.088) 17.786 7.461 ( 5.001 15.809 2.598) 16.784 7.597 ( 15.528 -14.861 -3.068) 21.712 7.756 ( 4.395 11.041 -0.238) 11.886 8.153 ( 2.748 -7.985 0.031) 8.444 8.475 ( -1.312 -16.760 -1.729) 16.900 8.675 ( -8.786 1.202 0.123) 8.869 8.818 ( -17.010 -2.695 -1.144) 17.260 9.254 ( -10.518 9.500 -0.377) 14.178 9.624 ( -14.011 -9.526 0.616) 16.954 10.305 ( 4.220 -3.148 0.116) 5.266 10.357 ( -1.553 -8.518 -1.046) 8.721 10.652 ( -0.426 -2.672 1.215) 2.966 10.815 ( 5.198 -10.674 12.839) 17.487 11.578 ( 13.047 19.551 -15.734) 28.284 12.136 ( 17.218 -7.123 -22.534) 29.240 13.002 ( -8.381 12.106 8.901) 17.205 13.260 ( 0.315 5.007 8.684) 10.029 13.367 ( -14.970 15.695 9.446) 23.657 14.250 ( 1.165 -16.594 -3.941) 17.096 15.061 ( -0.259 2.256 1.449) 2.694 15.182 ( 5.703 -6.701 5.557) 10.407 16.270 ( -6.021 6.410 2.815) 9.234 16.529 ( -3.406 -5.112 -1.287) 6.276 18.642 ( 3.461 11.257 0.145) 11.778 19.169 ( 4.167 -13.405 -2.325) 14.229 ======================= Grid point 113 (58/205) ======================= q-point: (-0.44 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -5.745 3.069 -0.505) 6.532 2.444 ( -4.784 -2.297 -1.145) 5.430 2.867 ( -14.491 3.125 -2.742) 15.076 3.123 ( -7.056 -8.799 -3.354) 11.767 3.871 ( 0.591 8.504 -18.535) 20.401 4.150 ( -0.891 12.510 1.393) 12.619 4.231 ( 4.833 -6.768 -18.465) 20.251 4.477 ( 0.702 3.287 -1.085) 3.532 4.610 ( 7.308 11.372 0.957) 13.552 4.692 ( -7.872 7.401 3.268) 11.288 5.291 ( 1.053 1.385 6.076) 6.320 5.453 ( -3.546 -4.445 0.963) 5.767 5.580 ( -3.506 3.255 -2.991) 5.642 5.856 ( -11.252 13.982 11.187) 21.148 5.992 ( 2.776 -9.663 2.229) 10.298 6.707 ( -0.443 -11.707 12.173) 16.895 7.100 ( 6.903 13.211 -10.476) 18.219 7.499 ( -9.183 -4.434 -0.614) 10.216 7.654 ( -7.710 2.813 4.894) 9.555 7.859 ( 0.273 10.220 3.262) 10.732 8.156 ( -1.099 -0.631 0.611) 1.407 8.573 ( -1.089 -12.016 -3.744) 12.633 8.623 ( 21.204 -9.179 4.400) 23.521 8.753 ( 13.736 -6.831 -4.896) 16.103 9.095 ( -2.429 -2.077 -6.832) 7.543 9.357 ( -7.778 -16.557 -11.997) 21.876 10.327 ( 3.270 5.725 7.484) 9.974 10.480 ( 4.933 -1.006 0.629) 5.074 10.694 ( 1.246 2.538 7.746) 8.246 11.069 ( 8.798 -10.995 11.388) 18.110 11.673 ( 6.876 17.498 -7.489) 20.238 12.210 ( 8.712 -6.564 -19.471) 22.318 12.897 ( -6.368 11.005 -0.023) 12.714 13.103 ( -17.076 5.377 11.720) 21.398 13.342 ( -0.565 12.574 3.425) 13.045 14.129 ( -7.560 -18.308 -8.011) 21.366 15.107 ( 1.743 6.505 6.982) 9.701 15.391 ( 7.126 -8.598 10.330) 15.213 16.216 ( -0.802 7.981 0.312) 8.028 16.493 ( 1.640 -4.841 -2.751) 5.804 18.671 ( -1.329 10.856 1.472) 11.036 19.195 ( -0.060 -13.816 -1.406) 13.887 ======================= Grid point 114 (59/205) ======================= q-point: (-0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -5.809 6.382 -5.116) 10.033 2.351 ( -1.255 -1.581 -5.577) 5.931 2.550 ( -14.606 10.751 -0.080) 18.137 2.990 ( -3.395 -11.823 -0.372) 12.306 3.655 ( -7.635 8.514 -17.661) 21.040 4.061 ( -5.934 -7.853 -14.824) 17.794 4.170 ( 0.533 14.341 1.778) 14.461 4.503 ( -7.580 11.788 -0.105) 14.015 4.553 ( 1.964 0.864 -2.078) 2.987 4.754 ( 3.033 3.952 4.532) 6.735 5.253 ( -9.340 -2.144 -6.758) 11.726 5.338 ( -8.664 -0.561 8.055) 11.843 5.445 ( -7.972 1.231 -4.829) 9.401 5.709 ( -9.857 -2.894 9.000) 13.657 6.199 ( 9.696 8.213 10.491) 16.478 6.749 ( -2.351 1.501 6.413) 6.993 7.101 ( -21.993 6.297 2.865) 23.055 7.166 ( 8.481 3.811 -8.942) 12.900 7.605 ( -6.829 -8.645 4.035) 11.732 7.844 ( 2.862 8.967 0.095) 9.413 8.314 ( 10.906 4.203 7.165) 13.709 8.488 ( -4.487 -25.702 -11.305) 28.435 8.768 ( -3.325 -5.060 -5.817) 8.396 8.936 ( -0.747 -19.039 0.414) 19.058 9.333 ( 30.047 -1.929 -6.071) 30.714 9.424 ( 27.072 -8.251 -4.972) 28.735 10.453 ( 2.940 5.594 4.513) 7.766 10.562 ( 4.151 -0.931 -0.206) 4.259 10.841 ( 3.362 10.875 14.777) 18.653 11.276 ( 7.636 -5.089 0.069) 9.177 11.679 ( -3.111 14.408 -1.288) 14.796 12.115 ( -6.957 -1.446 -6.402) 9.564 12.802 ( 2.837 6.695 -10.818) 13.035 12.972 ( -5.460 1.401 8.792) 10.444 13.319 ( -5.071 7.336 4.164) 9.842 13.866 ( -13.540 -16.541 -5.768) 22.141 15.219 ( 2.293 9.023 8.779) 12.796 15.578 ( 3.451 -8.916 9.229) 13.289 16.263 ( 6.548 10.353 -0.636) 12.266 16.553 ( 6.954 -4.197 -1.968) 8.358 18.613 ( -6.147 9.882 1.719) 11.764 19.127 ( -5.969 -14.883 -2.258) 16.194 ======================= Grid point 115 (60/205) ======================= q-point: (-0.22 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -2.966 13.998 -9.257) 17.042 2.320 ( 2.266 0.086 -4.844) 5.348 2.407 ( -3.908 19.955 10.308) 22.798 2.997 ( 0.118 -9.926 4.604) 10.943 3.314 ( -11.197 5.266 -16.962) 20.995 3.793 ( -9.282 -11.248 -9.766) 17.551 4.176 ( -6.999 21.143 3.577) 22.557 4.314 ( -6.135 10.522 -1.543) 12.277 4.531 ( -5.802 -1.020 -3.044) 6.631 4.817 ( -0.677 -1.342 5.055) 5.274 4.919 ( -16.037 13.121 -4.576) 21.220 5.167 ( -9.376 -2.281 -1.657) 9.790 5.331 ( -4.668 -12.835 2.640) 13.910 5.603 ( -9.220 -9.828 7.648) 15.495 6.461 ( 9.067 11.844 7.894) 16.876 6.738 ( -2.300 6.556 -1.114) 7.037 6.856 ( -5.966 12.561 5.483) 14.948 7.305 ( 11.574 -1.249 -4.371) 12.435 7.537 ( -3.083 -9.418 3.809) 10.617 7.924 ( 0.374 -2.095 6.036) 6.400 8.178 ( -8.015 -20.199 -23.479) 31.992 8.633 ( 16.205 5.448 4.591) 17.702 8.765 ( 5.468 -2.855 -0.445) 6.184 8.897 ( 0.907 -26.325 -4.891) 26.791 9.744 ( 14.301 2.948 -0.591) 14.614 9.957 ( 22.648 -6.758 1.343) 23.673 10.525 ( 4.496 5.379 -0.038) 7.010 10.648 ( 5.211 -1.239 -0.106) 5.358 10.952 ( -4.811 12.394 8.043) 15.539 11.378 ( 5.509 -6.416 -3.863) 9.297 11.581 ( 0.172 15.142 -7.885) 17.073 11.914 ( -9.445 2.473 0.887) 9.804 12.830 ( 8.299 2.648 -9.618) 12.976 13.018 ( 0.878 -3.008 9.154) 9.675 13.230 ( -7.899 3.544 4.407) 9.715 13.552 ( -16.859 -11.232 1.646) 20.325 15.312 ( 1.045 9.399 4.725) 10.572 15.669 ( 0.383 -7.947 4.277) 9.033 16.471 ( 14.506 10.525 3.002) 18.172 16.713 ( 10.077 -3.064 0.473) 10.543 18.476 ( -9.147 7.894 0.898) 12.116 18.917 ( -13.373 -14.300 -4.590) 20.109 ======================= Grid point 116 (61/205) ======================= q-point: (-0.11 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 4.228 24.488 -10.467) 26.965 2.317 ( -0.609 5.189 -1.701) 5.495 2.513 ( -1.404 21.984 13.722) 25.953 2.882 ( -9.286 7.298 -11.111) 16.216 3.103 ( -1.068 -5.535 0.449) 5.655 3.681 ( 2.279 -15.300 1.925) 15.588 3.946 ( -13.131 14.538 0.962) 19.614 4.193 ( -11.622 6.220 -2.012) 13.335 4.400 ( 1.565 6.973 -0.496) 7.164 4.652 ( -9.945 16.879 0.714) 19.604 4.857 ( -0.531 -2.872 4.851) 5.662 5.049 ( -0.617 -8.735 -4.470) 9.831 5.256 ( -5.796 -12.226 2.388) 13.739 5.517 ( -6.797 -12.145 9.453) 16.824 6.652 ( 2.026 14.019 -0.184) 14.166 6.682 ( 3.424 6.541 -1.093) 7.464 6.862 ( -1.650 10.007 7.113) 12.387 7.494 ( 7.020 -8.062 0.903) 10.728 7.544 ( 2.058 -6.204 1.734) 6.763 7.793 ( -10.059 -18.604 -10.449) 23.589 8.025 ( 3.715 0.696 -1.742) 4.161 8.863 ( 2.724 -24.562 -5.555) 25.329 8.933 ( 13.454 3.913 -4.393) 14.684 9.020 ( 17.813 -2.574 0.990) 18.025 9.818 ( -5.368 6.415 0.698) 8.393 10.086 ( -10.450 -4.358 2.895) 11.686 10.680 ( 5.400 2.210 -5.859) 8.268 10.714 ( 7.854 1.537 -4.822) 9.344 10.879 ( -2.603 11.274 4.560) 12.437 11.394 ( -0.696 -8.273 -6.187) 10.354 11.609 ( 9.081 9.579 -6.795) 14.846 11.855 ( 5.553 1.533 -6.088) 8.381 12.918 ( 5.134 0.733 -2.759) 5.874 13.065 ( -5.640 -4.699 -0.845) 7.390 13.114 ( -7.712 4.885 13.562) 16.348 13.341 ( -9.201 -5.759 12.837) 16.811 15.329 ( -0.687 9.630 -1.585) 9.784 15.675 ( -0.858 -7.206 -1.190) 7.354 16.820 ( 15.431 3.787 6.459) 17.151 16.906 ( 8.102 -1.417 2.474) 8.589 18.316 ( -6.722 5.160 -0.470) 8.487 18.579 ( -15.829 -8.442 -5.157) 18.666 ======================= Grid point 117 (62/205) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 4.831 -4.481 1.232) 6.704 2.399 ( 4.831 4.481 1.232) 6.704 2.654 ( -4.662 -11.501 -11.866) 17.170 2.654 ( -4.662 11.501 -11.866) 17.170 3.309 ( 1.704 -14.896 1.530) 15.071 3.309 ( 1.704 14.896 1.530) 15.071 4.138 ( 6.544 -8.957 4.168) 11.850 4.138 ( 6.544 8.957 4.168) 11.850 4.735 ( 6.231 -12.934 -3.015) 14.670 4.735 ( 6.231 12.934 -3.015) 14.670 4.803 ( -6.164 -10.696 6.295) 13.858 4.803 ( -6.164 10.696 6.295) 13.858 5.216 ( -4.646 -14.246 11.593) 18.945 5.216 ( -4.646 14.246 11.593) 18.945 6.787 ( -1.069 -7.403 -5.289) 9.160 6.787 ( -1.069 7.403 -5.289) 9.160 7.111 ( -4.531 -13.814 5.865) 15.676 7.111 ( -4.531 13.814 5.865) 15.676 7.589 ( 3.944 -3.619 -1.571) 5.579 7.589 ( 3.944 3.619 -1.571) 5.579 8.359 ( 5.154 -19.796 -1.168) 20.490 8.359 ( 5.154 19.796 -1.168) 20.490 9.218 ( 3.380 -3.728 -4.749) 6.919 9.218 ( 3.380 3.728 -4.749) 6.919 9.770 ( -7.354 -5.206 -1.170) 9.086 9.770 ( -7.354 5.206 -1.170) 9.086 10.696 ( 0.504 -4.222 -8.305) 9.330 10.696 ( 0.504 4.222 -8.305) 9.330 11.150 ( -0.068 -10.527 -1.015) 10.576 11.150 ( -0.068 10.527 -1.015) 10.576 11.828 ( 4.300 -5.847 -10.207) 12.525 11.828 ( 4.300 5.847 -10.207) 12.525 12.925 ( -2.355 -2.456 1.298) 3.642 12.925 ( -2.355 2.456 1.298) 3.642 13.285 ( -0.521 -5.240 16.180) 17.015 13.285 ( -0.521 5.240 16.180) 17.015 15.459 ( -2.245 -8.859 -5.541) 10.688 15.459 ( -2.245 8.859 -5.541) 10.688 16.989 ( -2.119 -0.376 3.266) 3.911 16.989 ( -2.119 0.376 3.266) 3.911 18.326 ( 1.870 -4.115 -1.420) 4.738 18.326 ( 1.870 4.115 -1.420) 4.738 ======================= Grid point 119 (63/205) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -2.287 -0.910 -1.535) 2.900 2.436 ( -2.287 0.910 -1.535) 2.900 2.576 ( 5.037 -11.983 -1.440) 13.079 2.576 ( 5.037 11.983 -1.440) 13.079 3.455 ( 15.483 -14.139 -1.590) 21.028 3.455 ( 15.483 14.139 -1.590) 21.028 4.360 ( 9.582 -7.955 2.742) 12.753 4.360 ( 9.582 7.955 2.742) 12.753 4.704 ( -3.117 -7.098 -0.847) 7.798 4.704 ( -3.117 7.098 -0.847) 7.798 4.931 ( 10.637 -4.780 3.883) 12.292 4.931 ( 10.637 4.780 3.883) 12.292 5.255 ( -2.687 -14.651 14.539) 20.815 5.255 ( -2.687 14.651 14.539) 20.815 6.661 ( -6.726 -12.537 -7.063) 15.884 6.661 ( -6.726 12.537 -7.063) 15.884 7.090 ( -2.505 -14.237 5.492) 15.464 7.090 ( -2.505 14.237 5.492) 15.464 7.648 ( 3.208 -12.409 -0.858) 12.846 7.648 ( 3.208 12.409 -0.859) 12.846 8.488 ( 7.875 -9.243 0.489) 12.153 8.488 ( 7.875 9.243 0.489) 12.153 8.978 ( -19.150 -2.156 -2.151) 19.390 8.978 ( -19.150 2.156 -2.151) 19.390 9.775 ( 5.529 -6.762 -6.087) 10.646 9.775 ( 5.529 6.762 -6.087) 10.646 10.630 ( 0.366 -4.636 -8.007) 9.259 10.630 ( 0.366 4.636 -8.007) 9.259 11.103 ( -5.455 -6.530 -0.430) 8.520 11.103 ( -5.455 6.530 -0.430) 8.520 11.731 ( -3.002 -7.258 -12.169) 14.484 11.731 ( -3.002 7.258 -12.169) 14.484 12.970 ( 5.698 -5.690 1.129) 8.131 12.970 ( 5.698 5.690 1.129) 8.131 13.441 ( 1.414 -3.803 18.318) 18.762 13.441 ( 1.414 3.803 18.318) 18.762 15.344 ( -3.802 -8.751 -7.712) 12.269 15.344 ( -3.802 8.751 -7.712) 12.269 16.874 ( -10.999 -3.125 3.095) 11.846 16.874 ( -10.999 3.125 3.095) 11.846 18.451 ( 10.768 -9.359 -1.651) 14.362 18.451 ( 10.768 9.359 -1.651) 14.362 ======================= Grid point 121 (64/205) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 1.063 -6.687 0.853) 6.824 2.414 ( 1.063 6.687 0.853) 6.824 2.721 ( 7.275 -7.846 6.144) 12.338 2.721 ( 7.275 7.846 6.144) 12.338 3.807 ( 20.018 -13.354 -1.720) 24.125 3.807 ( 20.018 13.354 -1.720) 24.125 4.495 ( 5.255 -10.877 -2.335) 12.304 4.495 ( 5.255 10.877 -2.335) 12.304 4.653 ( -0.748 -3.983 -2.313) 4.666 4.653 ( -0.748 3.983 -2.313) 4.666 5.175 ( 9.819 -3.647 3.080) 10.918 5.175 ( 9.819 3.647 3.080) 10.918 5.379 ( 4.193 -9.474 14.031) 17.442 5.379 ( 4.193 9.474 14.031) 17.442 6.428 ( -11.123 -13.102 -6.648) 18.427 6.428 ( -11.123 13.102 -6.648) 18.427 7.111 ( 0.665 -15.367 3.407) 15.754 7.111 ( 0.665 15.367 3.407) 15.754 7.698 ( 3.158 -17.441 -1.004) 17.753 7.698 ( 3.158 17.441 -1.004) 17.753 8.468 ( -10.746 -11.123 -10.223) 18.540 8.468 ( -10.746 11.123 -10.223) 18.540 8.795 ( 2.095 -8.642 9.918) 13.321 8.795 ( 2.095 8.642 9.918) 13.321 9.756 ( -3.668 -6.571 -1.882) 7.758 9.756 ( -3.668 6.571 -1.882) 7.758 10.584 ( 0.239 -5.486 -6.009) 8.140 10.584 ( 0.239 5.486 -6.009) 8.140 10.858 ( -19.680 -5.418 -0.666) 20.423 10.858 ( -19.680 5.418 -0.666) 20.423 11.659 ( 10.590 -10.447 -17.734) 23.147 11.659 ( 10.590 10.447 -17.734) 23.147 13.107 ( 4.716 -3.611 5.218) 7.906 13.107 ( 4.716 3.611 5.218) 7.906 13.631 ( 3.078 -7.126 15.709) 17.523 13.631 ( 3.078 7.126 15.709) 17.523 15.202 ( -4.139 -7.392 -7.156) 11.089 15.202 ( -4.139 7.392 -7.156) 11.089 16.683 ( -11.302 -5.651 3.203) 13.036 16.683 ( -11.302 5.651 3.203) 13.036 18.644 ( 10.769 -12.859 -2.650) 16.981 18.644 ( 10.769 12.859 -2.650) 16.981 ======================= Grid point 123 (65/205) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 0.009 -5.386 3.886) 6.642 2.455 ( 0.009 5.386 3.886) 6.642 2.937 ( 8.540 -7.378 7.001) 13.281 2.937 ( 8.540 7.378 7.001) 13.281 4.064 ( 9.449 -6.734 -5.932) 13.031 4.064 ( 9.449 6.734 -5.932) 13.031 4.535 ( 1.161 -5.949 -4.965) 7.835 4.535 ( 1.161 5.949 -4.965) 7.835 4.645 ( 2.579 -8.571 -1.435) 9.064 4.645 ( 2.579 8.571 -1.435) 9.064 5.321 ( 2.770 -7.890 5.099) 9.794 5.321 ( 2.770 7.890 5.099) 9.794 5.630 ( 9.209 -4.673 8.459) 13.349 5.630 ( 9.209 4.673 8.459) 13.349 6.197 ( -6.414 -14.799 -2.821) 16.374 6.197 ( -6.414 14.799 -2.821) 16.374 7.176 ( 6.046 -12.399 -2.045) 13.945 7.176 ( 6.046 12.399 -2.045) 13.945 7.759 ( 4.448 -16.075 -1.067) 16.713 7.759 ( 4.448 16.075 -1.067) 16.713 8.182 ( -9.167 -14.137 -6.594) 18.093 8.182 ( -9.167 14.137 -6.594) 18.093 8.904 ( -1.691 -7.741 3.412) 8.627 8.904 ( -1.691 7.741 3.412) 8.627 9.662 ( -10.043 -7.511 11.431) 16.969 9.662 ( -10.043 7.511 11.431) 16.969 10.370 ( -13.478 -13.605 -10.758) 21.965 10.370 ( -13.478 13.605 -10.758) 21.965 10.632 ( -2.057 -1.358 2.498) 3.510 10.632 ( -2.057 1.358 2.498) 3.510 11.780 ( 17.376 -12.792 -20.767) 29.947 11.780 ( 17.376 12.792 -20.767) 29.947 13.202 ( -2.658 -3.171 11.636) 12.350 13.202 ( -2.658 3.171 11.636) 12.350 13.790 ( 2.609 -17.859 7.287) 19.464 13.790 ( 2.609 17.859 7.287) 19.464 15.094 ( -1.895 -3.973 -2.962) 5.306 15.094 ( -1.895 3.973 -2.962) 5.306 16.517 ( -8.500 -6.462 2.243) 10.911 16.517 ( -8.500 6.462 2.243) 10.911 18.799 ( 7.773 -13.661 -2.401) 15.900 18.799 ( 7.773 13.661 -2.401) 15.900 ======================= Grid point 125 (66/205) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -3.507 -3.676 3.430) 6.130 2.455 ( -3.507 3.676 3.430) 6.130 3.081 ( 0.318 -6.025 2.454) 6.514 3.081 ( 0.318 6.025 2.454) 6.514 4.102 ( 4.813 -5.414 -13.348) 15.187 4.102 ( 4.813 5.414 -13.348) 15.187 4.457 ( -2.936 -6.631 -5.335) 9.003 4.457 ( -2.936 6.631 -5.335) 9.003 4.717 ( 3.726 -11.621 1.411) 12.285 4.717 ( 3.726 11.621 1.411) 12.285 5.375 ( -0.633 -7.503 2.947) 8.086 5.375 ( -0.633 7.503 2.947) 8.086 5.743 ( -1.525 -10.787 3.350) 11.397 5.743 ( -1.525 10.787 3.350) 11.397 6.204 ( 2.234 -18.112 7.682) 19.800 6.204 ( 2.234 18.112 7.682) 19.800 7.309 ( 10.277 -13.339 -6.100) 17.910 7.309 ( 10.277 13.339 -6.100) 17.910 7.852 ( 5.763 -16.690 -0.675) 17.670 7.852 ( 5.763 16.690 -0.675) 17.670 8.066 ( 1.565 -14.799 -0.788) 14.902 8.066 ( 1.565 14.799 -0.788) 14.902 8.756 ( -12.831 -4.350 0.440) 13.555 8.756 ( -12.831 4.350 0.440) 13.555 9.448 ( -17.324 -9.124 -2.419) 19.729 9.448 ( -17.324 9.124 -2.419) 19.729 10.266 ( 5.524 -1.424 3.913) 6.918 10.266 ( 5.524 1.424 3.913) 6.918 10.666 ( 1.535 -3.908 6.763) 7.961 10.666 ( 1.535 3.908 6.763) 7.961 11.922 ( 15.935 -14.134 -21.573) 30.316 11.922 ( 15.935 14.134 -21.573) 30.316 13.190 ( -10.086 -7.142 14.085) 18.738 13.190 ( -10.086 7.142 14.085) 18.738 13.824 ( -1.231 -23.965 -2.573) 24.134 13.824 ( -1.231 23.965 -2.573) 24.134 15.105 ( 2.452 -2.289 4.527) 5.635 15.105 ( 2.452 2.289 4.527) 5.635 16.406 ( -4.306 -6.772 0.478) 8.039 16.406 ( -4.306 6.772 0.478) 8.039 18.894 ( 3.820 -13.518 -1.146) 14.094 18.894 ( 3.820 13.518 -1.146) 14.094 ======================= Grid point 127 (67/205) ======================= q-point: (-0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -4.713 -2.989 -0.306) 5.589 2.386 ( -4.713 2.989 -0.306) 5.589 2.968 ( -10.279 -6.595 -2.780) 12.525 2.968 ( -10.279 6.595 -2.780) 12.525 4.044 ( 1.905 -9.232 -17.447) 19.831 4.044 ( 1.905 9.232 -17.447) 19.831 4.396 ( 0.146 -9.482 -1.078) 9.544 4.396 ( 0.146 9.482 -1.078) 9.544 4.776 ( 0.220 -3.495 2.112) 4.089 4.776 ( 0.220 3.495 2.112) 4.089 5.347 ( -4.257 -5.785 1.227) 7.287 5.347 ( -4.257 5.785 1.227) 7.287 5.709 ( -2.389 -10.197 -2.302) 10.723 5.709 ( -2.389 10.197 -2.302) 10.723 6.316 ( 0.147 -22.703 15.256) 27.353 6.316 ( 0.147 22.703 15.256) 27.353 7.366 ( -0.356 -9.554 -4.165) 10.429 7.366 ( -0.356 9.554 -4.165) 10.429 7.877 ( -5.565 -15.127 1.002) 16.149 7.877 ( -5.565 15.127 1.002) 16.149 8.197 ( 3.959 -13.403 4.545) 14.695 8.197 ( 3.959 13.403 4.545) 14.695 8.651 ( 9.951 -4.555 -4.002) 11.652 8.651 ( 9.951 4.555 -4.002) 11.652 9.126 ( -5.438 -6.074 -12.420) 14.857 9.126 ( -5.438 6.074 -12.420) 14.857 10.435 ( 5.343 -3.821 4.064) 7.725 10.435 ( 5.343 3.821 4.064) 7.725 10.832 ( 6.024 -10.726 15.713) 19.956 10.832 ( 6.024 10.726 15.713) 19.956 12.002 ( 9.580 -13.895 -17.762) 24.502 12.002 ( 9.580 13.895 -17.762) 24.502 13.069 ( -12.174 -6.132 8.863) 16.259 13.069 ( -12.174 6.132 8.863) 16.259 13.719 ( -5.398 -21.461 -5.908) 22.904 13.719 ( -5.398 21.461 -5.908) 22.904 15.240 ( 4.433 -6.764 9.839) 12.737 15.240 ( 4.433 6.764 9.839) 12.737 16.371 ( 1.107 -7.128 -1.135) 7.302 16.371 ( 1.107 7.128 -1.135) 7.302 18.917 ( -1.007 -13.413 -0.207) 13.452 18.917 ( -1.007 13.413 -0.207) 13.452 ======================= Grid point 129 (68/205) ======================= q-point: (-0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -1.843 -3.971 -4.958) 6.614 2.296 ( -1.843 3.971 -4.958) 6.614 2.764 ( -7.484 -10.734 0.450) 13.093 2.764 ( -7.484 10.734 0.450) 13.093 3.848 ( -7.639 -10.879 -16.479) 21.172 3.848 ( -7.639 10.879 -16.479) 21.172 4.438 ( 4.275 -10.181 -1.076) 11.095 4.438 ( 4.275 10.181 -1.076) 11.095 4.742 ( -5.877 -7.217 2.072) 9.535 4.742 ( -5.877 7.217 2.072) 9.535 5.237 ( -7.492 -3.479 0.093) 8.261 5.237 ( -7.492 3.479 0.093) 8.261 5.588 ( -9.730 -8.087 -0.645) 12.668 5.588 ( -9.730 8.087 -0.645) 12.668 6.491 ( 4.912 -17.549 13.834) 22.880 6.491 ( 4.912 17.549 13.834) 22.880 7.268 ( -7.872 -9.003 3.081) 12.350 7.268 ( -7.872 9.003 3.081) 12.350 7.701 ( -7.493 -23.322 -5.214) 25.045 7.701 ( -7.493 23.322 -5.214) 25.045 8.284 ( 7.323 -10.927 -5.434) 14.232 8.284 ( 7.323 10.927 -5.434) 14.232 8.717 ( -3.625 -4.232 -0.886) 5.642 8.717 ( -3.625 4.232 -0.886) 5.642 9.327 ( 30.566 -1.821 -5.059) 31.035 9.327 ( 30.566 1.821 -5.059) 31.035 10.528 ( 3.099 -2.450 1.477) 4.218 10.528 ( 3.099 2.450 1.477) 4.218 11.083 ( 4.983 -11.959 13.975) 19.057 11.083 ( 4.983 11.959 13.975) 19.057 11.969 ( -1.061 -12.069 -9.549) 15.427 11.969 ( -1.061 12.070 -9.549) 15.427 12.933 ( -4.446 -5.045 -0.395) 6.737 12.933 ( -4.446 5.045 -0.395) 6.737 13.545 ( -9.239 -14.604 -1.863) 17.381 13.545 ( -9.239 14.604 -1.863) 17.381 15.399 ( 3.052 -8.906 9.621) 13.461 15.399 ( 3.052 8.906 9.621) 13.461 16.440 ( 7.264 -7.181 -0.828) 10.248 16.440 ( 7.264 7.181 -0.828) 10.248 18.845 ( -6.524 -13.007 -0.540) 14.561 18.845 ( -6.524 13.007 -0.540) 14.561 ======================= Grid point 131 (69/205) ======================= q-point: (-0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 3.173 -6.904 -6.722) 10.145 2.256 ( 3.173 6.904 -6.722) 10.145 2.747 ( 1.351 -14.568 8.368) 16.855 2.747 ( 1.351 14.568 8.368) 16.855 3.514 ( -12.351 -13.838 -14.314) 23.429 3.514 ( -12.351 13.838 -14.314) 23.429 4.473 ( -3.489 -5.042 -3.891) 7.262 4.473 ( -3.489 5.042 -3.891) 7.262 4.609 ( -5.544 -18.498 1.799) 19.394 4.609 ( -5.544 18.498 1.799) 19.394 5.083 ( -8.572 -8.486 -0.683) 12.081 5.083 ( -8.572 8.486 -0.683) 12.081 5.368 ( -13.484 -14.047 6.041) 20.387 5.368 ( -13.484 14.047 6.041) 20.387 6.686 ( 6.222 -9.486 5.234) 12.494 6.686 ( 6.222 9.486 5.234) 12.494 7.178 ( -6.764 -19.769 9.394) 22.909 7.178 ( -6.764 19.769 9.394) 22.909 7.570 ( 0.253 -21.717 -9.736) 23.801 7.570 ( 0.253 21.717 -9.736) 23.801 8.335 ( 4.160 -22.828 -10.077) 25.298 8.335 ( 4.160 22.828 -10.077) 25.298 8.745 ( 8.010 -3.624 2.211) 9.066 8.745 ( 8.010 3.624 2.211) 9.066 9.830 ( 19.719 -5.531 0.405) 20.484 9.830 ( 19.719 5.531 0.405) 20.484 10.608 ( 5.183 -2.956 0.688) 6.006 10.608 ( 5.183 2.956 0.688) 6.006 11.189 ( -2.306 -10.994 4.267) 12.017 11.189 ( -2.306 10.994 4.267) 12.017 11.844 ( -2.758 -9.192 -6.798) 11.760 11.844 ( -2.758 9.192 -6.798) 11.760 12.922 ( 3.743 -5.672 -2.129) 7.122 12.922 ( 3.743 5.672 -2.129) 7.122 13.354 ( -11.915 -8.345 4.997) 15.381 13.354 ( -11.915 8.345 4.997) 15.381 15.498 ( 0.923 -8.974 4.717) 10.180 15.498 ( 0.923 8.974 4.717) 10.180 16.628 ( 11.782 -5.679 1.902) 13.217 16.628 ( 11.782 5.679 1.902) 13.217 18.664 ( -11.142 -10.934 -1.841) 15.719 18.664 ( -11.142 10.934 -1.841) 15.719 ======================= Grid point 133 (70/205) ======================= q-point: (-0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 6.259 -8.594 -4.437) 11.520 2.302 ( 6.259 8.594 -4.437) 11.520 2.823 ( -3.917 -16.355 1.426) 16.878 2.823 ( -3.917 16.355 1.426) 16.878 3.272 ( -1.144 -23.369 -2.768) 23.561 3.272 ( -1.144 23.369 -2.768) 23.561 4.208 ( -13.074 -5.826 -3.844) 14.820 4.208 ( -13.074 5.826 -3.844) 14.820 4.642 ( 4.336 -15.807 -0.256) 16.393 4.642 ( 4.336 15.807 -0.256) 16.393 4.918 ( -8.795 -8.387 2.140) 12.340 4.918 ( -8.795 8.387 2.140) 12.340 5.239 ( -7.539 -13.413 9.514) 18.090 5.239 ( -7.539 13.413 9.514) 18.090 6.793 ( 3.451 -2.377 -1.715) 4.527 6.793 ( 3.451 2.377 -1.715) 4.527 7.147 ( -5.352 -20.279 8.602) 22.668 7.147 ( -5.352 20.279 8.602) 22.668 7.543 ( 3.597 -7.398 -5.881) 10.112 7.543 ( 3.597 7.398 -5.881) 10.112 8.318 ( 2.408 -24.149 -5.480) 24.880 8.318 ( 2.408 24.149 -5.480) 24.880 9.003 ( 16.820 -1.870 -2.034) 17.045 9.003 ( 16.820 1.870 -2.034) 17.045 9.962 ( -6.305 -7.326 1.821) 9.836 9.962 ( -6.305 7.326 1.821) 9.836 10.713 ( 4.555 -1.134 -3.619) 5.927 10.713 ( 4.555 1.134 -3.619) 5.927 11.146 ( -0.907 -14.064 0.068) 14.093 11.146 ( -0.907 14.064 0.068) 14.093 11.799 ( 5.580 -6.928 -10.622) 13.855 11.799 ( 5.580 6.928 -10.622) 13.855 12.971 ( 0.041 -4.178 -0.225) 4.184 12.971 ( 0.041 4.178 -0.225) 4.184 13.224 ( -7.670 -5.834 12.703) 15.944 13.224 ( -7.670 5.834 12.703) 15.944 15.515 ( -0.633 -8.745 -1.164) 8.845 15.515 ( -0.633 8.745 -1.164) 8.845 16.874 ( 9.920 -1.927 3.850) 10.814 16.874 ( 9.920 1.927 3.850) 10.814 18.431 ( -9.969 -6.436 -2.427) 12.112 18.431 ( -9.969 6.436 -2.427) 12.112 ======================= Grid point 162 (71/205) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -1.287 0.000 23.621) 23.656 1.564 ( 7.406 0.000 34.430) 35.217 2.095 ( 7.342 0.000 3.398) 8.090 2.479 ( 9.716 0.000 59.629) 60.416 3.089 ( -21.717 0.000 -3.301) 21.966 3.559 ( -2.562 0.000 8.669) 9.040 3.877 ( 7.887 0.000 2.523) 8.280 4.241 ( 2.340 0.000 5.010) 5.530 4.360 ( 11.918 0.000 -9.991) 15.552 4.398 ( 1.574 0.000 -1.873) 2.447 4.801 ( -4.428 0.000 -9.303) 10.303 5.139 ( -2.260 0.000 6.405) 6.792 5.404 ( 1.160 0.000 0.012) 1.160 5.990 ( 0.529 0.000 -5.247) 5.273 6.187 ( 1.194 0.000 15.577) 15.623 6.531 ( 1.376 0.000 0.718) 1.552 6.854 ( -1.348 0.000 6.115) 6.262 7.647 ( -8.301 0.000 -7.919) 11.473 7.973 ( -4.227 0.000 -3.933) 5.774 8.137 ( 0.484 0.000 -6.154) 6.173 8.198 ( 12.065 0.000 -22.585) 25.606 8.596 ( -8.208 0.000 -0.082) 8.209 8.819 ( 4.657 0.000 -9.366) 10.459 9.616 ( 6.095 0.000 -14.508) 15.737 9.706 ( -1.502 0.000 -6.940) 7.100 9.801 ( -2.868 0.000 1.728) 3.348 10.543 ( -4.000 0.000 1.932) 4.442 10.698 ( 2.541 0.000 8.269) 8.651 11.131 ( -6.190 0.000 -1.161) 6.298 11.422 ( 20.045 0.000 2.460) 20.195 11.524 ( 12.695 0.000 -10.167) 16.265 11.829 ( 5.874 0.000 3.420) 6.797 12.679 ( -24.946 0.000 -4.863) 25.416 13.036 ( -1.725 0.000 9.035) 9.199 13.346 ( -5.002 0.000 7.136) 8.714 13.408 ( -5.369 0.000 6.061) 8.097 14.811 ( -2.135 0.000 9.969) 10.195 15.765 ( -2.771 0.000 -6.544) 7.107 17.057 ( 3.252 0.000 1.101) 3.434 17.590 ( -40.375 0.000 -5.013) 40.685 18.058 ( -8.225 0.000 2.599) 8.626 18.342 ( 50.061 0.000 -1.570) 50.085 ======================= Grid point 163 (72/205) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 29.432 0.000 14.553) 32.834 2.106 ( 21.684 0.000 25.723) 33.643 2.373 ( 12.862 0.000 10.409) 16.546 2.715 ( -10.619 0.000 -3.704) 11.246 3.206 ( 11.478 0.000 44.765) 46.213 3.590 ( -0.427 0.000 7.229) 7.242 4.021 ( 5.155 0.000 0.324) 5.165 4.393 ( -2.005 0.000 -12.938) 13.092 4.397 ( 9.671 0.000 9.909) 13.846 4.452 ( 4.085 0.000 -2.474) 4.776 4.718 ( 6.548 0.000 -7.829) 10.207 5.128 ( -5.143 0.000 8.170) 9.654 5.456 ( 2.573 0.000 4.663) 5.326 5.950 ( 3.154 0.000 -18.594) 18.859 6.304 ( -2.541 0.000 15.368) 15.577 6.507 ( -2.005 0.000 -1.801) 2.694 6.871 ( -2.815 0.000 6.527) 7.108 7.350 ( -11.563 0.000 -5.213) 12.684 7.625 ( -18.184 0.000 -3.199) 18.464 8.187 ( 2.318 0.000 -10.088) 10.351 8.308 ( 13.969 0.000 -20.432) 24.751 8.431 ( -7.490 0.000 2.614) 7.933 8.861 ( 7.586 0.000 -7.734) 10.834 9.548 ( 2.444 0.000 -19.967) 20.116 9.708 ( 5.558 0.000 -3.964) 6.827 9.892 ( 8.738 0.000 0.729) 8.768 10.419 ( -10.483 0.000 -0.036) 10.483 10.751 ( -13.854 0.000 5.694) 14.978 10.976 ( 2.276 0.000 1.779) 2.889 11.472 ( -7.629 0.000 -2.296) 7.967 11.687 ( 11.513 0.000 -9.850) 15.151 11.946 ( 1.203 0.000 6.220) 6.335 12.245 ( -19.926 0.000 4.100) 20.343 13.042 ( -5.386 0.000 7.856) 9.525 13.372 ( -3.767 0.000 6.376) 7.406 13.576 ( 18.552 0.000 5.560) 19.367 14.882 ( -0.008 0.000 11.366) 11.366 15.652 ( -2.193 0.000 -8.845) 9.113 16.966 ( -25.547 0.000 8.824) 27.028 17.051 ( -6.644 0.000 3.579) 7.546 17.988 ( 0.661 0.000 -0.488) 0.822 19.025 ( 29.127 0.000 -14.289) 32.443 ======================= Grid point 164 (73/205) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 12.377 0.000 3.798) 12.946 2.599 ( 6.249 0.000 3.795) 7.311 2.633 ( 11.359 0.000 -2.838) 11.708 2.789 ( 21.771 0.000 28.627) 35.965 3.614 ( 3.311 0.000 18.574) 18.866 3.685 ( 5.334 0.000 3.909) 6.613 4.029 ( -2.475 0.000 -5.934) 6.429 4.155 ( -9.534 0.000 -12.566) 15.773 4.496 ( 0.829 0.000 3.344) 3.445 4.736 ( 7.683 0.000 14.180) 16.127 4.803 ( 6.449 0.000 -9.756) 11.695 5.156 ( 2.331 0.000 15.887) 16.057 5.571 ( 4.482 0.000 5.451) 7.057 5.758 ( 1.219 0.000 -31.750) 31.774 6.358 ( -4.287 0.000 14.229) 14.860 6.497 ( 3.460 0.000 1.457) 3.754 6.845 ( -5.707 0.000 6.307) 8.506 7.270 ( 4.744 0.000 3.548) 5.924 7.339 ( -10.263 0.000 0.683) 10.285 8.049 ( -5.301 0.000 -11.576) 12.732 8.168 ( -9.745 0.000 -3.963) 10.520 8.553 ( 16.295 0.000 -11.241) 19.796 8.967 ( 9.466 0.000 -9.439) 13.368 9.428 ( 2.166 0.000 -17.550) 17.683 9.761 ( 0.628 0.000 -2.897) 2.964 9.839 ( -18.540 0.000 -4.042) 18.976 10.320 ( 5.176 0.000 0.482) 5.198 10.346 ( -24.796 0.000 -0.259) 24.798 11.194 ( 14.218 0.000 0.320) 14.222 11.388 ( 0.654 0.000 2.606) 2.687 11.785 ( 6.594 0.000 -6.382) 9.177 11.938 ( -14.446 0.000 21.715) 26.081 11.971 ( -7.518 0.000 -7.790) 10.826 12.983 ( -6.914 0.000 7.097) 9.908 13.349 ( -5.609 0.000 7.413) 9.296 13.985 ( 18.904 0.000 3.419) 19.210 14.993 ( 1.227 0.000 11.815) 11.878 15.539 ( -0.511 0.000 -11.971) 11.982 16.699 ( -12.913 0.000 9.120) 15.809 16.877 ( -13.541 0.000 2.713) 13.810 18.073 ( 7.532 0.000 0.558) 7.553 19.305 ( 15.029 0.000 -12.654) 19.647 ======================= Grid point 165 (74/205) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -1.005 0.000 0.022) 1.006 2.602 ( -7.001 0.000 3.377) 7.772 2.992 ( 20.543 0.000 -3.270) 20.801 3.422 ( 20.791 0.000 20.630) 29.289 3.624 ( -5.638 0.000 -18.264) 19.114 3.806 ( 0.320 0.000 1.378) 1.415 3.847 ( -9.282 0.000 -10.280) 13.850 3.922 ( -3.976 0.000 8.658) 9.527 4.573 ( 1.523 0.000 12.292) 12.386 4.701 ( -3.600 0.000 -20.194) 20.512 4.800 ( -8.118 0.000 13.473) 15.730 5.403 ( 4.136 0.000 8.676) 9.611 5.605 ( 9.289 0.000 -23.230) 25.018 5.701 ( 3.548 0.000 3.829) 5.220 6.425 ( 0.725 0.000 13.312) 13.332 6.677 ( -4.552 0.000 18.243) 18.802 6.843 ( 15.523 0.000 -4.346) 16.120 7.243 ( -3.509 0.000 6.305) 7.215 7.553 ( 20.725 0.000 3.308) 20.988 7.857 ( -3.719 0.000 -9.640) 10.332 7.965 ( -7.684 0.000 -4.001) 8.663 8.779 ( 16.425 0.000 -9.177) 18.815 8.920 ( -13.863 0.000 -2.516) 14.090 9.348 ( 3.980 0.000 -17.416) 17.865 9.476 ( -3.720 0.000 -10.624) 11.256 9.478 ( -31.638 0.000 3.459) 31.826 10.059 ( -1.427 0.000 -3.494) 3.774 10.440 ( 5.169 0.000 -0.527) 5.196 11.420 ( 12.380 0.000 -11.230) 16.715 11.425 ( 0.234 0.000 -10.844) 10.846 11.752 ( -17.786 0.000 17.810) 25.170 11.860 ( 4.710 0.000 1.569) 4.964 11.933 ( 1.957 0.000 10.749) 10.926 12.903 ( -8.747 0.000 7.875) 11.770 13.287 ( -6.843 0.000 8.024) 10.545 14.321 ( 12.635 0.000 5.952) 13.966 15.112 ( 0.416 0.000 11.718) 11.726 15.431 ( 1.361 0.000 -16.131) 16.189 16.572 ( -8.508 0.000 6.146) 10.496 16.634 ( -11.919 0.000 -0.362) 11.925 18.244 ( 7.542 0.000 4.258) 8.661 19.439 ( 9.837 0.000 -9.193) 13.464 ======================= Grid point 166 (75/205) ======================= q-point: (-0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.111 0.000 6.518) 6.519 2.455 ( -8.154 0.000 -1.426) 8.277 3.085 ( -11.061 0.000 -20.371) 23.180 3.362 ( -22.227 0.000 -8.813) 23.911 3.385 ( 10.982 0.000 -14.650) 18.309 3.799 ( -4.054 0.000 -4.675) 6.188 3.970 ( -0.596 0.000 5.628) 5.659 4.016 ( 18.195 0.000 16.434) 24.518 4.472 ( 1.024 0.000 -21.398) 21.422 4.728 ( -5.666 0.000 5.249) 7.723 4.796 ( 1.845 0.000 28.585) 28.644 5.404 ( -4.294 0.000 -2.636) 5.039 5.606 ( 4.389 0.000 -12.188) 12.954 5.773 ( 1.615 0.000 1.009) 1.904 6.536 ( -18.227 0.000 8.094) 19.943 6.652 ( 11.707 0.000 12.643) 17.231 7.091 ( 0.295 0.000 2.309) 2.328 7.320 ( 2.895 0.000 1.625) 3.320 7.812 ( -2.703 0.000 -6.670) 7.196 7.941 ( 20.091 0.000 6.552) 21.133 8.055 ( 26.148 0.000 2.730) 26.290 8.558 ( -15.880 0.000 1.237) 15.928 8.729 ( -38.580 0.000 -0.137) 38.580 9.035 ( 18.015 0.000 -14.868) 23.358 9.371 ( 5.299 0.000 -4.311) 6.831 9.496 ( 12.070 0.000 -13.525) 18.128 10.068 ( 2.564 0.000 -2.168) 3.358 10.501 ( 2.140 0.000 -0.612) 2.226 11.169 ( -11.234 0.000 -17.936) 21.164 11.433 ( 2.931 0.000 -18.648) 18.877 11.557 ( -20.648 0.000 20.722) 29.254 11.984 ( 3.742 0.000 4.273) 5.680 12.222 ( 14.375 0.000 13.539) 19.747 12.779 ( -10.268 0.000 7.720) 12.846 13.263 ( -3.638 0.000 10.423) 11.040 14.573 ( 7.143 0.000 11.062) 13.168 15.178 ( -3.983 0.000 10.444) 11.178 15.312 ( 2.166 0.000 -20.910) 21.022 16.455 ( -8.304 0.000 2.950) 8.812 16.467 ( -3.764 0.000 -2.080) 4.300 18.401 ( 3.433 0.000 7.321) 8.085 19.540 ( 8.228 0.000 -7.007) 10.807 ======================= Grid point 167 (76/205) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -17.328 0.000 9.479) 19.751 2.308 ( -4.185 0.000 -4.536) 6.171 2.697 ( -0.595 0.000 -18.865) 18.875 2.801 ( -29.255 0.000 -7.121) 30.110 3.536 ( 11.735 0.000 -10.499) 15.746 3.637 ( -4.757 0.000 -8.352) 9.612 3.944 ( -6.006 0.000 2.163) 6.384 4.375 ( 4.020 0.000 -16.469) 16.952 4.457 ( 14.598 0.000 13.274) 19.731 4.627 ( -8.785 0.000 5.535) 10.383 5.117 ( 3.540 0.000 25.788) 26.030 5.276 ( -4.000 0.000 -4.613) 6.106 5.558 ( 0.010 0.000 -8.147) 8.147 5.776 ( -1.743 0.000 0.977) 1.998 6.154 ( -23.518 0.000 2.692) 23.671 7.029 ( 17.720 0.000 6.935) 19.028 7.030 ( -8.241 0.000 6.790) 10.677 7.321 ( -0.222 0.000 -0.350) 0.414 7.731 ( -3.427 0.000 -7.352) 8.112 7.869 ( -36.369 0.000 1.775) 36.413 8.236 ( -0.762 0.000 1.518) 1.699 8.664 ( 22.850 0.000 1.697) 22.913 8.713 ( 29.698 0.000 2.655) 29.816 9.302 ( 25.007 0.000 -16.343) 29.874 9.481 ( 7.229 0.000 0.897) 7.284 9.663 ( 16.526 0.000 -8.381) 18.530 10.091 ( 2.048 0.000 -2.855) 3.514 10.511 ( -1.147 0.000 -1.591) 1.961 10.787 ( -13.131 0.000 -12.858) 18.378 11.253 ( -4.725 0.000 -18.679) 19.267 11.321 ( -21.641 0.000 18.824) 28.682 11.993 ( -6.479 0.000 3.024) 7.150 12.619 ( 15.347 0.000 11.921) 19.433 12.719 ( -0.942 0.000 5.606) 5.685 13.310 ( -2.409 0.000 13.073) 13.293 14.800 ( 4.844 0.000 18.145) 18.781 15.129 ( -8.833 0.000 7.619) 11.664 15.144 ( 0.219 0.000 -26.040) 26.041 16.303 ( -9.250 0.000 0.547) 9.266 16.469 ( 4.957 0.000 -1.320) 5.130 18.482 ( -2.042 0.000 8.633) 8.872 19.626 ( 6.946 0.000 -7.767) 10.420 ======================= Grid point 168 (77/205) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -27.691 0.000 6.487) 28.441 2.144 ( -29.444 0.000 3.189) 29.616 2.258 ( -3.968 0.000 -8.674) 9.539 2.733 ( 2.912 0.000 0.739) 3.005 3.521 ( -1.687 0.000 -5.052) 5.326 3.539 ( -6.828 0.000 -6.129) 9.175 3.834 ( -3.045 0.000 0.605) 3.104 4.308 ( 1.809 0.000 -12.497) 12.627 4.492 ( -8.821 0.000 1.578) 8.961 4.781 ( 10.794 0.000 5.667) 12.191 5.116 ( -6.741 0.000 1.113) 6.832 5.261 ( -10.969 0.000 9.797) 14.707 5.479 ( -1.736 0.000 -6.426) 6.656 5.759 ( -1.346 0.000 4.887) 5.069 5.970 ( 4.223 0.000 6.717) 7.934 6.931 ( -7.917 0.000 6.607) 10.312 7.068 ( -34.407 0.000 -3.159) 34.552 7.337 ( 2.691 0.000 -0.341) 2.713 7.383 ( 16.847 0.000 -9.924) 19.553 7.831 ( 5.344 0.000 8.285) 9.859 8.247 ( 3.793 0.000 -3.679) 5.284 8.955 ( 7.547 0.000 -1.912) 7.785 9.159 ( 15.389 0.000 -5.759) 16.431 9.619 ( 5.070 0.000 2.160) 5.511 9.721 ( 26.730 0.000 -11.335) 29.034 9.980 ( 14.356 0.000 -7.049) 15.993 10.128 ( 10.265 0.000 -8.366) 13.242 10.367 ( -4.190 0.000 3.943) 5.754 10.641 ( 4.110 0.000 -3.584) 5.453 10.973 ( -9.343 0.000 -13.940) 16.781 11.075 ( -19.985 0.000 18.215) 27.040 11.842 ( -9.974 0.000 1.566) 10.096 12.804 ( 3.980 0.000 4.462) 5.979 12.971 ( 11.738 0.000 9.280) 14.964 13.376 ( -2.770 0.000 13.814) 14.089 14.853 ( -5.976 0.000 -31.910) 32.465 15.001 ( -9.854 0.000 5.588) 11.328 15.110 ( 8.618 0.000 29.750) 30.973 16.130 ( -8.453 0.000 -0.891) 8.500 16.601 ( 8.975 0.000 -0.492) 8.988 18.468 ( -6.976 0.000 8.477) 10.978 19.641 ( 2.975 0.000 -13.717) 14.036 ======================= Grid point 169 (78/205) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -19.124 0.000 25.703) 32.037 1.591 ( -30.271 0.000 12.645) 32.805 2.188 ( -3.185 0.000 -3.077) 4.429 2.475 ( -37.879 0.000 12.972) 40.039 3.454 ( 6.707 0.000 0.375) 6.717 3.484 ( -0.164 0.000 0.620) 0.641 3.812 ( -1.769 0.000 -1.896) 2.593 4.248 ( 2.572 0.000 -10.635) 10.942 4.321 ( -8.598 0.000 -1.770) 8.778 4.940 ( 4.243 0.000 -1.816) 4.615 4.957 ( -13.124 0.000 -6.132) 14.486 5.111 ( -4.046 0.000 1.717) 4.395 5.407 ( -0.008 0.000 -5.190) 5.190 5.836 ( 2.540 0.000 10.466) 10.770 6.213 ( 9.315 0.000 9.009) 12.959 6.474 ( -24.694 0.000 -2.506) 24.820 6.855 ( -5.653 0.000 6.471) 8.592 7.456 ( 10.485 0.000 1.537) 10.597 7.563 ( 14.697 0.000 -16.238) 21.901 8.059 ( 8.783 0.000 8.162) 11.990 8.297 ( 5.846 0.000 -7.630) 9.612 8.954 ( -2.428 0.000 -8.307) 8.654 9.211 ( -1.727 0.000 -13.814) 13.921 9.681 ( 0.835 0.000 -1.187) 1.451 9.869 ( 1.464 0.000 -7.659) 7.798 9.896 ( -7.192 0.000 6.758) 9.869 10.498 ( 31.263 0.000 -10.478) 32.972 10.524 ( 1.752 0.000 6.389) 6.624 10.728 ( -6.066 0.000 -5.272) 8.036 10.767 ( 0.526 0.000 0.032) 0.527 11.069 ( 14.782 0.000 16.230) 21.953 11.673 ( -8.069 0.000 -1.075) 8.140 12.907 ( 1.993 0.000 5.945) 6.270 13.176 ( 2.576 0.000 4.476) 5.165 13.430 ( -3.259 0.000 12.149) 12.579 14.365 ( -16.487 0.000 -33.900) 37.696 14.874 ( -8.110 0.000 5.691) 9.907 15.728 ( 27.614 0.000 41.649) 49.972 15.987 ( -5.159 0.000 -0.477) 5.182 16.775 ( 9.612 0.000 -0.572) 9.629 18.369 ( -10.330 0.000 7.439) 12.730 19.431 ( -10.362 0.000 -26.442) 28.400 ======================= Grid point 170 (79/205) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -28.064 0.000 23.995) 36.924 1.333 ( -13.815 0.000 29.980) 33.010 2.009 ( -19.107 0.000 47.674) 51.361 2.077 ( -5.007 0.000 -0.446) 5.027 3.519 ( -0.005 0.000 6.379) 6.379 3.580 ( -14.564 0.000 -5.992) 15.748 3.694 ( 6.768 0.000 -0.289) 6.774 4.198 ( -2.108 0.000 0.865) 2.279 4.249 ( 7.296 0.000 -9.768) 12.192 4.555 ( -16.236 0.000 -7.117) 17.727 4.928 ( -0.955 0.000 -7.059) 7.124 5.114 ( -0.803 0.000 5.371) 5.431 5.394 ( 1.881 0.000 -3.640) 4.097 6.004 ( 3.737 0.000 12.809) 13.343 6.115 ( -11.614 0.000 -0.279) 11.617 6.424 ( 5.796 0.000 7.472) 9.456 6.833 ( -2.659 0.000 6.764) 7.268 7.686 ( 10.182 0.000 -11.968) 15.713 7.745 ( 17.297 0.000 0.556) 17.306 8.210 ( 4.885 0.000 -6.523) 8.150 8.307 ( -1.021 0.000 -5.451) 5.546 8.769 ( -7.139 0.000 -8.953) 11.451 8.939 ( -7.267 0.000 -17.099) 18.579 9.646 ( 0.185 0.000 -6.765) 6.767 9.799 ( -0.717 0.000 -8.703) 8.732 9.892 ( -5.724 0.000 6.917) 8.978 10.565 ( -0.987 0.000 3.492) 3.629 10.631 ( -1.607 0.000 4.262) 4.555 10.904 ( 14.004 0.000 17.902) 22.729 10.986 ( 23.748 0.000 -8.171) 25.115 11.524 ( -4.936 0.000 -3.945) 6.319 11.554 ( 20.765 0.000 3.679) 21.088 12.980 ( -0.269 0.000 8.043) 8.048 13.101 ( -11.944 0.000 -3.206) 12.367 13.446 ( -4.630 0.000 8.804) 9.947 13.716 ( -24.948 0.000 -19.226) 31.496 14.804 ( -5.101 0.000 7.621) 9.170 15.867 ( -3.267 0.000 -4.582) 5.627 16.941 ( 8.159 0.000 -0.518) 8.175 16.943 ( 60.601 0.000 34.268) 69.619 18.216 ( -11.349 0.000 5.638) 12.673 18.714 ( -39.750 0.000 -29.638) 49.583 ======================= Grid point 171 (80/205) ======================= q-point: ( 0.00 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 3.070 7.093 22.121) 23.432 1.460 ( 2.404 2.486 30.393) 30.590 2.087 ( 5.235 2.521 0.595) 5.841 2.904 ( 5.324 21.057 40.360) 45.833 3.067 ( -7.415 6.063 7.635) 12.249 3.631 ( -7.001 8.484 6.479) 12.766 3.958 ( 5.211 5.607 0.521) 7.672 4.109 ( 6.239 -11.146 -1.243) 12.834 4.316 ( 0.925 -4.222 -4.607) 6.317 4.413 ( 10.584 1.928 0.587) 10.774 4.860 ( -5.101 4.315 -5.567) 8.696 5.166 ( -0.832 1.236 4.567) 4.804 5.384 ( -0.425 -1.452 0.239) 1.532 5.973 ( 0.186 -1.904 -3.295) 3.810 6.140 ( -1.494 -1.066 9.262) 9.443 6.639 ( 1.385 7.678 3.825) 8.689 6.844 ( -3.421 -1.130 5.993) 6.993 7.604 ( 6.228 -4.437 -5.109) 9.196 7.820 ( -2.261 -10.975 -16.013) 19.544 8.057 ( -17.823 -1.886 -5.997) 18.899 8.322 ( 4.238 -10.489 -0.730) 11.336 8.505 ( 13.195 14.927 -10.866) 22.693 9.052 ( -3.433 9.960 -11.529) 15.618 9.450 ( 4.756 -12.013 -6.625) 14.520 9.713 ( 3.921 0.007 -8.212) 9.100 9.860 ( -7.131 3.145 -2.517) 8.190 10.488 ( 0.352 -15.457 7.980) 17.399 10.606 ( -1.685 3.535 2.078) 4.433 11.048 ( -2.706 -2.346 1.105) 3.748 11.279 ( 12.878 -9.862 -1.837) 16.324 11.630 ( 9.730 1.507 -12.832) 16.175 11.846 ( 4.727 1.988 3.250) 6.071 12.708 ( -22.214 3.703 -0.805) 22.535 13.136 ( 3.077 7.767 9.928) 12.975 13.276 ( -0.407 -4.069 8.268) 9.224 13.534 ( -7.002 7.592 3.295) 10.841 14.853 ( -2.472 4.435 6.712) 8.416 15.725 ( -3.135 -3.735 -6.825) 8.388 17.056 ( 3.076 -0.075 1.492) 3.420 17.416 ( -25.213 -12.042 2.336) 28.039 18.103 ( -7.035 2.471 -0.222) 7.459 18.399 ( 32.195 3.462 -3.398) 32.558 ======================= Grid point 172 (81/205) ======================= q-point: ( 0.11 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 27.063 7.578 11.935) 30.533 1.926 ( 15.916 -10.666 29.966) 35.568 2.321 ( 15.728 0.982 1.360) 15.817 2.861 ( -1.936 3.387 -2.304) 4.531 3.510 ( 3.914 27.529 36.400) 45.805 3.603 ( 0.277 1.478 8.432) 8.565 4.039 ( 3.020 0.580 -2.154) 3.755 4.236 ( 4.943 -10.488 -3.850) 12.216 4.365 ( 11.559 -2.958 -0.501) 11.942 4.541 ( 0.499 5.751 -0.435) 5.789 4.802 ( 4.582 7.348 -2.139) 8.920 5.169 ( -3.243 3.258 7.217) 8.557 5.418 ( 2.114 -3.580 4.632) 6.224 5.945 ( 2.810 -0.599 -14.982) 15.255 6.169 ( -4.186 -6.796 10.851) 13.471 6.641 ( -2.553 7.284 0.457) 7.732 6.823 ( -4.327 -3.070 8.100) 9.683 7.456 ( -9.477 7.943 -5.298) 13.452 7.652 ( -17.265 1.784 -5.192) 18.116 7.821 ( 9.380 -19.446 -14.866) 26.213 8.316 ( -5.716 -5.984 2.907) 8.771 8.606 ( 5.148 12.382 -9.965) 16.707 8.941 ( 4.974 3.376 -13.182) 14.488 9.495 ( 7.225 -5.573 -14.634) 17.246 9.698 ( 1.578 0.509 -3.611) 3.973 9.870 ( 7.176 -1.991 -0.725) 7.482 10.459 ( -8.952 -1.069 2.405) 9.330 10.593 ( -5.483 -7.696 1.239) 9.530 10.995 ( 0.395 1.509 1.908) 2.465 11.361 ( -3.546 -11.956 3.331) 12.908 11.576 ( -0.954 -6.426 -12.553) 14.135 11.908 ( -0.291 -3.772 -0.024) 3.783 12.372 ( -13.932 10.511 3.701) 17.840 13.140 ( -7.547 6.760 10.350) 14.484 13.489 ( -1.922 9.144 6.147) 11.184 13.583 ( 20.298 1.764 4.132) 20.789 14.898 ( -0.387 1.820 9.938) 10.111 15.601 ( -2.972 -4.783 -8.948) 10.573 16.928 ( -23.429 -2.676 7.918) 24.875 17.056 ( -6.421 -0.018 3.693) 7.407 18.027 ( 0.678 3.514 -0.918) 3.695 18.955 ( 26.808 -6.441 -11.503) 29.874 ======================= Grid point 173 (82/205) ======================= q-point: ( 0.22 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 12.332 1.388 3.637) 12.932 2.440 ( 16.008 -5.591 11.281) 20.366 2.645 ( 17.629 -0.871 9.555) 20.071 2.941 ( 8.869 7.876 4.165) 12.571 3.628 ( 1.113 1.952 9.243) 9.512 3.806 ( 2.171 9.361 8.985) 13.156 3.970 ( -4.747 -4.590 -10.223) 12.170 4.218 ( -1.128 4.670 -5.192) 7.073 4.506 ( 0.956 1.377 -2.437) 2.958 4.712 ( 10.636 -0.719 6.005) 12.235 4.859 ( -1.096 5.730 4.287) 7.240 5.269 ( 6.251 9.629 15.235) 19.076 5.530 ( 4.192 -4.182 6.565) 8.841 5.797 ( 1.996 3.125 -27.191) 27.443 6.192 ( -2.764 -9.211 12.564) 15.822 6.602 ( 1.601 3.167 -2.501) 4.342 6.817 ( -5.863 -0.217 11.143) 12.593 7.295 ( -4.167 3.540 -2.278) 5.924 7.419 ( -2.133 0.730 -1.689) 2.817 7.790 ( -1.659 -11.487 -9.924) 15.270 8.192 ( -8.185 -1.711 1.552) 8.504 8.628 ( 7.578 3.437 -6.701) 10.684 8.989 ( 9.485 -0.680 -13.957) 16.889 9.444 ( 1.072 2.752 -15.703) 15.978 9.670 ( -8.294 -5.633 -0.594) 10.044 9.915 ( -3.763 3.205 -3.993) 6.354 10.277 ( -13.906 -4.028 -1.120) 14.521 10.399 ( -2.180 6.381 -1.853) 6.993 11.108 ( 5.385 -6.693 5.860) 10.399 11.369 ( 4.970 -2.990 -2.255) 6.223 11.446 ( -4.678 -21.711 -2.840) 22.390 11.844 ( -7.042 -8.029 4.676) 11.658 12.240 ( -2.967 16.750 0.013) 17.011 13.080 ( -7.292 7.433 9.929) 14.387 13.486 ( -4.969 11.684 6.830) 14.417 14.004 ( 19.354 1.648 2.902) 19.639 14.996 ( 1.097 0.305 11.212) 11.270 15.471 ( -1.522 -6.201 -11.292) 12.972 16.657 ( -14.060 -2.800 8.760) 16.801 16.899 ( -12.169 1.056 2.452) 12.458 18.107 ( 7.441 3.362 0.101) 8.167 19.238 ( 14.975 -6.459 -11.138) 19.749 ======================= Grid point 174 (83/205) ======================= q-point: ( 0.33 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 1.846 6.727 1.167) 7.073 2.610 ( -3.010 1.296 2.504) 4.124 3.052 ( 18.036 4.146 -3.454) 18.826 3.271 ( 14.315 -10.013 16.878) 24.291 3.622 ( -8.843 -1.531 -16.229) 18.545 3.810 ( 2.882 0.942 -0.767) 3.128 3.843 ( -3.536 3.135 -0.873) 4.805 4.115 ( -4.868 13.233 1.389) 14.169 4.498 ( -0.382 -4.726 -5.961) 7.617 4.746 ( 0.903 1.351 -6.333) 6.538 4.893 ( -7.300 9.780 18.755) 22.376 5.499 ( 2.010 8.702 7.361) 11.574 5.655 ( 4.113 -3.752 -0.065) 5.568 5.677 ( 6.999 5.968 -17.272) 19.569 6.302 ( 1.136 -8.983 16.121) 18.490 6.773 ( -5.605 0.908 6.582) 8.693 6.780 ( 17.810 0.147 2.420) 17.975 7.242 ( -1.973 -0.407 4.983) 5.375 7.508 ( 11.419 -14.925 -13.860) 23.350 7.717 ( 4.038 5.374 5.552) 8.719 8.064 ( -5.267 2.351 -1.529) 5.967 8.776 ( 10.110 -1.698 -3.471) 10.823 8.985 ( -4.072 3.384 -7.398) 9.097 9.174 ( -16.995 -5.813 -9.756) 20.440 9.377 ( -18.850 -5.766 4.316) 20.179 9.759 ( -1.011 14.319 -18.828) 23.676 10.056 ( -1.372 -0.112 -2.455) 2.814 10.480 ( 5.093 4.171 -0.415) 6.596 11.196 ( -4.406 -17.763 -11.050) 21.378 11.299 ( 3.200 -13.048 -1.415) 13.509 11.510 ( -1.507 -11.802 12.655) 17.370 11.846 ( 6.083 -6.693 4.825) 10.250 12.206 ( -1.062 21.067 -0.904) 21.113 13.036 ( -7.210 10.003 11.398) 16.791 13.407 ( -8.878 10.687 7.011) 15.562 14.338 ( 12.826 1.233 4.555) 13.667 15.099 ( -0.686 -1.313 8.863) 8.986 15.374 ( 2.613 -5.164 -11.790) 13.134 16.496 ( -11.003 -4.240 7.116) 13.773 16.684 ( -9.974 2.062 -1.217) 10.258 18.273 ( 7.587 2.930 3.581) 8.887 19.382 ( 9.899 -5.555 -8.461) 14.158 ======================= Grid point 175 (84/205) ======================= q-point: (-0.56 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -1.680 8.119 6.834) 10.745 2.489 ( -7.711 3.335 -1.092) 8.472 3.143 ( -11.801 5.204 -21.595) 25.154 3.311 ( 0.176 -3.365 -6.772) 7.564 3.381 ( -4.720 -2.333 -9.573) 10.926 3.792 ( -3.093 0.199 -4.485) 5.452 3.916 ( 7.486 1.008 9.399) 12.058 4.138 ( 4.035 7.821 5.117) 10.180 4.401 ( 3.154 -5.065 -15.034) 16.175 4.752 ( -1.602 1.022 3.035) 3.581 4.966 ( -1.817 14.339 25.041) 28.913 5.467 ( -4.978 5.893 -2.888) 8.237 5.636 ( 2.585 2.608 -12.841) 13.356 5.732 ( 0.956 -3.129 2.680) 4.229 6.444 ( -3.924 -6.742 13.491) 15.584 6.695 ( -3.391 1.449 0.759) 3.765 7.046 ( 3.183 -3.874 3.305) 6.006 7.357 ( 4.876 4.835 4.300) 8.102 7.695 ( 21.639 -11.869 2.357) 24.793 7.957 ( -1.642 1.742 -2.667) 3.584 8.087 ( 23.161 2.218 -1.182) 23.297 8.569 ( -17.098 1.502 0.288) 17.167 8.662 ( -31.441 -6.177 -3.443) 32.226 9.048 ( 11.794 3.701 -0.899) 12.394 9.244 ( 3.889 -9.271 -1.895) 10.231 9.690 ( 9.268 10.321 -19.476) 23.911 10.075 ( 3.652 1.730 -3.303) 5.219 10.539 ( 1.869 3.488 -0.495) 3.988 10.920 ( -10.471 -17.697 -14.422) 25.116 11.263 ( -9.058 -15.015 6.692) 18.769 11.585 ( 0.292 0.164 -0.105) 0.351 12.097 ( 9.825 -5.782 9.224) 14.664 12.195 ( 3.685 14.115 -1.586) 14.674 12.968 ( -10.509 14.743 11.600) 21.502 13.325 ( -5.442 5.340 8.660) 11.538 14.569 ( 6.380 -1.593 7.359) 9.869 15.069 ( -4.464 -5.763 -1.802) 7.509 15.396 ( 5.321 4.109 -4.619) 8.157 16.356 ( -8.925 -5.081 5.203) 11.513 16.527 ( -4.332 1.777 -3.713) 5.975 18.426 ( 3.582 2.527 6.533) 7.867 19.485 ( 7.795 -5.398 -6.614) 11.561 ======================= Grid point 176 (85/205) ======================= q-point: (-0.44 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -16.442 3.847 8.291) 18.812 2.329 ( -7.820 2.090 -5.604) 9.845 2.723 ( -15.100 2.593 -11.664) 19.256 2.974 ( -9.908 13.902 -10.849) 20.227 3.454 ( 6.173 -5.959 -6.713) 10.894 3.642 ( -0.680 0.734 -12.472) 12.512 3.993 ( -4.347 5.167 1.826) 6.995 4.367 ( 1.676 -1.337 -3.893) 4.444 4.378 ( 11.830 -3.402 1.149) 12.363 4.724 ( -3.510 4.625 5.621) 8.082 5.203 ( 2.273 7.941 20.513) 22.114 5.332 ( -4.456 5.261 -4.281) 8.116 5.542 ( -3.870 -1.422 -7.426) 8.494 5.752 ( -1.286 -0.100 5.682) 5.826 6.244 ( -17.459 7.716 1.946) 19.187 6.741 ( 2.994 -18.291 2.233) 18.669 7.108 ( -0.781 3.488 5.805) 6.817 7.480 ( 3.045 10.065 5.292) 11.772 7.792 ( -3.005 2.968 -6.942) 8.126 7.854 ( -31.924 -0.286 -1.083) 31.944 8.062 ( 2.437 -13.430 1.523) 13.734 8.632 ( 20.792 -1.965 2.616) 21.048 8.737 ( 30.293 0.108 -3.545) 30.500 9.251 ( 15.013 -5.180 -6.467) 17.147 9.386 ( 9.313 -7.975 1.065) 12.308 9.744 ( 10.676 1.232 -12.732) 16.661 10.115 ( 4.810 4.086 -5.692) 8.499 10.518 ( -5.873 -2.262 -1.996) 6.602 10.651 ( -4.685 -4.178 -4.600) 7.782 11.136 ( -10.507 -10.671 8.444) 17.192 11.446 ( -9.011 10.311 -11.294) 17.749 12.132 ( -6.288 11.172 4.524) 13.594 12.453 ( 12.304 -9.257 5.385) 16.312 12.913 ( -1.803 12.143 10.531) 16.174 13.339 ( -2.953 2.174 11.210) 11.794 14.661 ( -2.752 -14.217 0.641) 14.495 14.995 ( -1.084 1.844 3.287) 3.921 15.431 ( 2.177 13.273 -4.194) 14.089 16.237 ( -8.346 -5.134 3.309) 10.342 16.484 ( 3.584 0.774 -2.961) 4.713 18.503 ( -1.895 2.145 7.823) 8.330 19.557 ( 5.574 -6.576 -7.367) 11.339 ======================= Grid point 177 (86/205) ======================= q-point: (-0.33 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -24.607 7.848 5.152) 26.337 2.164 ( -18.150 2.424 2.587) 18.493 2.280 ( -12.169 2.849 -5.696) 13.735 2.913 ( 0.693 14.117 -2.472) 14.348 3.426 ( -2.436 -7.532 -3.114) 8.507 3.603 ( 3.196 5.394 -10.128) 11.911 3.875 ( -7.770 5.258 3.477) 10.006 4.286 ( -2.123 -2.013 -9.341) 9.788 4.495 ( -2.226 -0.334 -0.500) 2.305 4.800 ( 5.487 1.803 6.631) 8.794 5.132 ( -16.639 -1.332 0.639) 16.704 5.236 ( -7.699 2.482 2.290) 8.407 5.467 ( 1.994 -1.287 -3.392) 4.140 5.840 ( -0.124 7.548 12.815) 14.873 6.089 ( 3.676 10.402 1.942) 11.201 6.780 ( -2.849 -19.700 4.622) 20.434 6.995 ( -22.761 -1.390 -0.981) 22.825 7.204 ( -6.289 5.122 -2.636) 8.529 7.701 ( 4.585 3.933 -11.493) 12.984 7.851 ( 9.956 7.851 11.753) 17.288 8.108 ( 4.436 -9.081 -2.657) 10.450 8.886 ( 2.984 -7.036 -3.668) 8.477 9.182 ( 19.052 1.313 -9.384) 21.279 9.512 ( 4.625 -15.269 -4.246) 16.510 9.622 ( 24.592 -6.695 -1.451) 25.529 9.861 ( 7.709 -12.016 -5.444) 15.279 10.196 ( 11.249 7.326 -7.174) 15.221 10.433 ( 2.179 6.213 5.586) 8.634 10.633 ( 1.881 2.475 -1.547) 3.473 11.015 ( -14.311 -2.383 13.659) 19.926 11.134 ( -6.097 11.349 -17.433) 21.677 11.986 ( -12.683 11.774 5.730) 18.230 12.657 ( 7.964 -8.914 0.731) 11.976 13.093 ( 7.509 6.344 12.069) 15.565 13.374 ( -3.806 -0.199 11.778) 12.379 14.466 ( -11.412 -21.754 -11.048) 26.936 15.056 ( -1.505 4.702 6.463) 8.133 15.491 ( 7.689 21.315 6.853) 23.673 16.095 ( -7.834 -2.836 0.658) 8.357 16.597 ( 8.798 -0.387 -0.477) 8.819 18.484 ( -6.900 1.652 7.615) 10.408 19.541 ( 0.229 -9.308 -12.356) 15.471 ======================= Grid point 178 (87/205) ======================= q-point: (-0.22 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -26.044 4.842 13.540) 29.750 1.773 ( -20.713 17.269 17.501) 32.149 2.185 ( -3.335 0.526 -2.522) 4.214 2.705 ( -24.715 18.036 7.931) 31.607 3.342 ( -4.897 -8.124 1.291) 9.573 3.635 ( 8.142 12.424 -0.698) 14.871 3.834 ( -0.968 2.661 2.786) 3.973 4.160 ( -2.704 -6.176 -8.675) 10.987 4.370 ( -7.755 3.146 -3.092) 8.921 4.753 ( -16.534 -10.653 -5.142) 20.330 4.957 ( 3.354 -1.620 3.459) 5.083 5.154 ( -3.584 3.490 1.054) 5.112 5.453 ( 0.493 1.404 -5.399) 5.600 5.919 ( 2.290 6.185 5.397) 8.522 6.298 ( 6.643 7.332 7.857) 12.634 6.465 ( -19.761 -0.710 -0.272) 19.776 6.825 ( -3.580 -4.754 9.046) 10.828 7.240 ( 10.012 -4.176 -6.012) 12.403 7.746 ( 9.360 -0.058 -8.036) 12.337 8.147 ( 11.872 9.671 5.236) 16.183 8.184 ( 6.777 -7.100 -5.233) 11.123 8.744 ( -8.796 -14.538 -12.880) 21.321 9.302 ( 4.114 2.226 -10.319) 11.330 9.493 ( -0.591 -16.457 -3.654) 16.868 9.800 ( -1.206 -6.376 -6.351) 9.079 10.074 ( 9.621 11.099 8.056) 16.752 10.414 ( 10.971 -4.484 2.003) 12.020 10.604 ( 1.891 0.082 -0.933) 2.110 10.663 ( 5.095 3.191 -4.243) 7.359 10.785 ( -0.793 4.631 -1.076) 4.820 11.182 ( 15.275 6.107 -1.076) 16.486 11.798 ( -11.366 10.692 6.203) 16.792 12.805 ( 7.196 -7.022 1.180) 10.124 13.270 ( -0.443 5.794 8.703) 10.465 13.386 ( -5.029 -3.952 9.952) 11.830 14.089 ( -16.597 -18.367 -13.370) 28.135 14.990 ( -5.703 7.660 -1.107) 9.614 15.887 ( 8.971 2.785 7.417) 11.968 16.043 ( 13.235 13.133 18.893) 26.544 16.775 ( 9.708 -0.070 0.036) 9.709 18.378 ( -10.273 0.962 6.311) 12.095 19.296 ( -13.132 -11.705 -21.271) 27.603 ======================= Grid point 179 (88/205) ======================= q-point: (-0.11 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -19.630 -3.937 26.923) 33.551 1.530 ( -25.357 21.056 16.470) 36.846 2.103 ( -3.817 3.015 0.628) 4.905 2.480 ( -8.750 32.874 37.153) 50.375 3.265 ( -7.464 -14.652 1.856) 16.548 3.766 ( -9.073 11.444 3.241) 14.959 3.830 ( 7.716 11.556 0.593) 13.908 4.060 ( 0.716 -10.384 -5.687) 11.861 4.260 ( 1.809 -1.019 -1.475) 2.546 4.438 ( -10.028 -7.563 -4.565) 13.364 4.979 ( -1.621 1.539 -4.349) 4.890 5.134 ( -0.367 0.854 3.944) 4.052 5.411 ( -0.475 1.271 -3.755) 3.993 6.002 ( 0.134 -2.021 4.250) 4.708 6.140 ( -8.252 4.393 0.791) 9.382 6.522 ( 5.059 8.056 8.502) 12.758 6.841 ( -2.859 -0.011 8.272) 8.752 7.431 ( 14.996 -10.099 -8.339) 19.910 7.891 ( 7.393 0.065 -2.428) 7.782 8.253 ( 5.930 -8.854 -8.040) 13.349 8.348 ( 6.991 5.635 -1.920) 9.183 8.416 ( -10.558 -7.667 -14.089) 19.203 9.215 ( -2.826 10.019 -11.122) 15.233 9.454 ( 0.377 -14.127 -5.164) 15.045 9.723 ( 0.885 -4.830 -7.053) 8.594 10.078 ( -10.391 10.098 -0.375) 14.494 10.451 ( -4.810 -10.179 6.821) 13.163 10.604 ( 0.000 2.829 3.757) 4.703 10.889 ( 16.377 -3.899 5.779) 17.799 11.003 ( 16.340 3.484 -4.971) 17.431 11.477 ( 16.985 -2.264 -12.324) 21.106 11.725 ( -1.254 10.544 9.851) 14.484 12.954 ( 6.150 -1.545 4.476) 7.762 13.145 ( -16.723 1.289 -2.875) 17.017 13.329 ( -8.518 -5.475 9.382) 13.804 13.715 ( -13.209 -1.657 -2.856) 13.616 14.886 ( -4.795 7.317 1.776) 8.926 15.833 ( -3.223 -3.298 -4.732) 6.607 16.912 ( 20.671 -0.406 8.520) 22.362 17.004 ( 33.397 2.599 17.322) 37.711 18.214 ( -10.893 0.110 2.804) 11.249 18.670 ( -31.072 -3.833 -20.535) 37.441 ======================= Grid point 180 (89/205) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 11.738 20.259 11.054) 25.892 1.761 ( -7.679 21.405 7.427) 23.923 2.196 ( 2.080 8.072 0.884) 8.383 2.845 ( -4.174 -9.046 2.049) 10.171 3.545 ( 8.718 20.512 24.477) 33.104 3.714 ( 4.467 -12.534 -1.650) 13.408 3.936 ( -0.749 -2.555 -0.568) 2.722 4.107 ( -1.995 16.001 7.795) 17.910 4.256 ( 1.366 -0.211 -5.322) 5.499 4.503 ( 10.263 7.731 8.719) 15.528 4.932 ( -3.133 3.086 1.251) 4.572 5.134 ( 1.560 -4.278 1.919) 4.941 5.347 ( -3.965 -3.365 2.107) 5.611 5.895 ( -0.222 -5.946 4.705) 7.585 6.215 ( -4.742 8.395 -0.259) 9.645 6.779 ( 1.299 5.132 6.466) 8.357 6.851 ( -6.032 4.452 5.406) 9.243 7.418 ( 7.020 -13.797 -18.257) 23.937 7.686 ( -1.545 -1.041 -1.380) 2.319 7.912 ( -4.878 -10.634 4.931) 12.697 8.280 ( 0.222 2.363 -4.191) 4.817 8.776 ( 12.096 10.582 -10.618) 19.262 8.995 ( -2.285 -15.289 -16.050) 22.284 9.306 ( -0.848 -2.057 1.830) 2.881 9.676 ( 7.444 -3.666 -5.311) 9.852 9.857 ( -10.944 -3.585 -1.198) 11.579 10.298 ( -0.354 0.486 -6.827) 6.854 10.708 ( 0.244 5.249 0.332) 5.265 10.940 ( 3.057 -11.154 -0.114) 11.566 11.149 ( 1.225 -0.297 -5.005) 5.162 11.616 ( 9.417 -0.865 -12.968) 16.050 11.868 ( -0.444 -0.381 1.630) 1.731 12.811 ( -17.289 5.635 4.582) 18.752 13.172 ( 7.364 -4.790 6.124) 10.709 13.308 ( -0.923 7.315 11.296) 13.489 13.638 ( -1.009 2.283 6.017) 6.515 14.988 ( -3.400 8.617 1.148) 9.334 15.626 ( -3.783 -5.849 -7.031) 9.898 17.054 ( 2.224 -0.219 2.316) 3.218 17.215 ( -14.186 -7.495 5.027) 16.813 18.148 ( -2.396 2.394 -1.383) 3.659 18.425 ( 15.006 -1.036 -3.374) 15.416 ======================= Grid point 181 (90/205) ======================= q-point: ( 0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 24.541 13.427 8.349) 29.193 1.890 ( 9.356 7.883 14.726) 19.145 2.391 ( 15.273 5.325 2.091) 16.310 2.842 ( 4.616 -3.746 -1.248) 6.075 3.572 ( -2.406 -7.634 3.728) 8.829 3.965 ( 3.298 -0.766 -1.933) 3.899 4.032 ( -0.239 1.408 -1.805) 2.302 4.157 ( 8.433 16.445 13.457) 22.862 4.343 ( 12.085 1.726 0.241) 12.210 4.656 ( 0.316 4.967 2.726) 5.675 4.984 ( 3.089 11.260 9.663) 15.156 5.194 ( 3.308 -2.402 4.631) 6.178 5.332 ( 0.047 -4.799 4.647) 6.680 5.927 ( 1.105 -1.902 -2.018) 2.986 6.114 ( -7.457 2.302 4.703) 9.111 6.739 ( -7.191 4.462 0.241) 8.466 6.838 ( -2.035 4.159 9.685) 10.735 7.323 ( 0.566 -16.562 -16.804) 23.600 7.681 ( -12.992 3.824 -4.290) 14.207 7.766 ( 3.717 4.871 1.229) 6.250 8.226 ( -5.098 -1.060 0.484) 5.230 8.764 ( -6.290 -0.140 -9.768) 11.618 8.889 ( 7.168 -4.931 -15.455) 17.736 9.365 ( 8.450 -7.745 1.029) 11.508 9.667 ( -4.851 -4.904 -2.219) 7.246 9.838 ( 8.803 -1.324 -5.129) 10.273 10.305 ( 2.872 -3.799 -4.250) 6.383 10.676 ( -1.949 8.441 -4.628) 9.821 10.952 ( -1.177 -12.385 1.223) 12.501 11.113 ( -1.004 -3.998 -1.372) 4.344 11.486 ( -10.244 -2.664 -10.502) 14.911 11.830 ( -5.324 -4.085 -0.542) 6.732 12.596 ( -6.987 11.284 2.188) 13.451 13.218 ( -4.446 0.311 8.955) 10.003 13.588 ( 14.090 2.824 8.787) 16.843 13.715 ( 4.993 7.324 5.598) 10.484 14.965 ( -2.039 4.940 5.666) 7.789 15.482 ( -4.419 -6.435 -8.507) 11.546 16.889 ( -19.617 -0.845 5.902) 20.503 17.041 ( -6.334 -1.514 3.662) 7.472 18.116 ( 2.253 5.282 -1.681) 5.984 18.791 ( 21.565 -9.372 -7.146) 24.575 ======================= Grid point 182 (91/205) ======================= q-point: ( 0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 11.839 2.413 4.813) 13.006 2.442 ( 22.878 5.081 10.992) 25.885 2.655 ( 8.071 1.786 6.872) 10.750 3.009 ( 12.658 -0.625 -3.062) 13.038 3.615 ( 2.671 -5.115 4.221) 7.150 3.948 ( -2.662 6.333 -4.261) 8.084 3.970 ( -0.674 4.176 -3.992) 5.816 4.330 ( 5.866 6.503 -0.166) 8.759 4.512 ( 3.085 -0.989 -7.541) 8.208 4.749 ( 7.115 2.806 0.149) 7.649 5.032 ( -4.958 10.479 13.014) 17.429 5.419 ( 3.200 -5.857 6.867) 9.576 5.459 ( 13.981 6.906 14.968) 21.615 5.861 ( 0.362 3.877 -14.117) 14.645 6.063 ( -5.650 -3.936 12.914) 14.635 6.616 ( -2.032 1.332 -5.593) 6.098 6.862 ( -5.130 0.989 10.252) 11.506 7.198 ( 0.261 -11.050 -14.128) 17.938 7.410 ( -6.190 6.790 -5.966) 10.955 7.846 ( -1.465 8.296 5.168) 9.883 8.118 ( -5.733 -4.266 2.488) 7.567 8.630 ( 1.196 -3.256 -4.914) 6.015 8.887 ( 5.271 -7.835 -13.231) 16.255 9.442 ( -4.403 -8.116 -2.569) 9.584 9.611 ( -1.179 2.411 -4.226) 5.007 9.930 ( 4.410 -1.659 -2.257) 5.224 10.226 ( -8.137 0.336 -4.337) 9.226 10.589 ( 0.921 11.326 -7.130) 13.416 10.952 ( -0.409 -14.077 3.868) 14.604 11.040 ( -9.372 -10.879 0.507) 14.368 11.275 ( -1.069 -5.935 -5.333) 8.050 11.686 ( -4.440 -7.507 -3.376) 9.353 12.586 ( 3.361 17.492 -0.122) 17.813 13.208 ( -4.870 4.644 9.873) 11.948 13.721 ( -3.849 9.746 8.760) 13.658 14.027 ( 17.812 -0.162 3.052) 18.072 15.007 ( 0.107 0.976 8.537) 8.593 15.328 ( -3.872 -7.079 -8.601) 11.793 16.627 ( -14.307 0.122 6.974) 15.916 16.893 ( -11.123 -1.696 2.223) 11.469 18.206 ( 7.796 6.498 -0.895) 10.188 19.062 ( 14.427 -10.616 -8.052) 19.639 ======================= Grid point 183 (92/205) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 5.063 3.486 3.174) 6.918 2.675 ( -1.775 4.720 1.884) 5.383 3.008 ( 15.996 -7.255 12.625) 21.631 3.193 ( 10.213 0.218 -3.884) 10.929 3.611 ( -5.098 2.349 -11.505) 12.801 3.873 ( 0.978 5.016 -4.598) 6.874 3.946 ( 1.196 7.180 -0.111) 7.280 4.358 ( -2.378 7.106 -1.982) 7.751 4.435 ( -1.102 0.654 -11.357) 11.429 4.778 ( 0.325 3.401 -3.161) 4.654 5.117 ( -1.189 9.497 17.171) 19.658 5.533 ( 2.428 -5.170 6.686) 8.794 5.710 ( -3.228 8.679 0.572) 9.277 5.839 ( 8.158 9.071 -6.733) 13.935 6.127 ( 1.505 -7.907 15.815) 17.745 6.653 ( 13.465 -5.970 -11.884) 18.925 6.840 ( -3.488 -5.880 10.466) 12.502 7.125 ( 4.187 -0.892 -4.640) 6.313 7.403 ( 7.718 4.138 -4.225) 9.723 7.793 ( -4.640 -2.270 3.016) 5.981 8.116 ( 2.002 4.325 3.247) 5.767 8.691 ( 3.658 -6.383 -0.715) 7.391 8.866 ( 2.692 -10.696 -9.741) 14.715 9.227 ( -21.121 -5.539 2.966) 22.035 9.319 ( -18.218 11.401 -2.891) 21.685 9.938 ( -3.786 1.876 -14.391) 14.999 10.081 ( 4.420 3.278 -1.932) 5.832 10.596 ( 1.830 4.306 -4.452) 6.459 10.829 ( -5.816 -15.209 -10.094) 19.158 11.025 ( -2.082 -10.925 8.113) 13.767 11.279 ( 2.112 -10.992 12.570) 16.831 11.714 ( 12.866 -6.338 -11.753) 18.543 12.645 ( 1.878 22.175 -1.676) 22.317 13.209 ( -4.146 6.759 11.509) 13.976 13.644 ( -11.654 11.028 8.268) 18.050 14.325 ( 11.395 -3.942 0.652) 12.075 15.070 ( -1.499 -0.948 3.121) 3.590 15.253 ( 3.390 -6.023 -0.485) 6.929 16.446 ( -11.531 -0.435 6.714) 13.350 16.693 ( -9.594 -1.172 -1.483) 9.779 18.365 ( 7.814 6.334 1.879) 10.232 19.225 ( 9.890 -9.870 -6.675) 15.485 ======================= Grid point 184 (93/205) ======================= q-point: (-0.56 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -4.613 3.480 5.992) 8.324 2.573 ( -7.934 3.897 0.744) 8.871 3.143 ( -12.824 -5.372 -4.032) 14.476 3.296 ( -0.547 -4.354 -3.970) 5.917 3.393 ( 8.154 10.613 -18.008) 22.437 3.835 ( -1.194 4.253 -12.615) 13.366 4.011 ( 5.604 6.270 4.718) 9.642 4.320 ( 4.864 -0.176 -6.075) 7.784 4.344 ( -1.986 11.029 -1.815) 11.353 4.761 ( -1.793 0.683 2.328) 3.018 5.243 ( 0.585 9.205 14.012) 16.775 5.577 ( -6.311 3.347 -5.122) 8.790 5.606 ( -0.709 -2.447 4.508) 5.178 5.828 ( -2.575 12.640 -0.103) 12.900 6.280 ( -0.057 -10.456 10.628) 14.909 6.684 ( -0.925 -0.550 -12.608) 12.654 6.977 ( 6.311 -3.864 12.402) 14.442 7.430 ( 19.614 -2.312 7.499) 21.126 7.563 ( 11.702 5.687 -0.437) 13.018 7.817 ( 8.548 -12.557 -5.009) 15.995 8.192 ( 1.318 3.880 -1.831) 4.488 8.553 ( -13.033 -1.737 -1.481) 13.231 8.637 ( -22.034 3.207 -1.457) 22.314 8.981 ( 4.762 -15.061 -2.114) 15.937 9.155 ( -2.630 3.323 1.564) 4.517 9.741 ( -4.699 -4.844 -10.013) 12.075 10.176 ( 8.376 6.676 -8.671) 13.781 10.517 ( -5.181 -10.059 -2.798) 11.656 10.709 ( 0.184 1.639 -4.443) 4.739 11.005 ( -3.550 -7.141 4.873) 9.346 11.531 ( 8.881 -4.846 8.016) 12.908 11.917 ( 15.715 -9.234 -3.272) 18.519 12.593 ( -3.910 21.948 -5.723) 23.017 13.236 ( -5.716 10.286 13.662) 18.031 13.454 ( -12.768 7.120 5.841) 15.743 14.441 ( 1.707 -11.640 -3.759) 12.350 15.044 ( -0.807 3.294 2.971) 4.509 15.417 ( 8.836 -2.195 4.908) 10.343 16.294 ( -10.107 -0.493 5.768) 11.647 16.534 ( -4.207 -0.980 -4.232) 6.047 18.507 ( 3.947 5.719 4.405) 8.228 19.331 ( 6.791 -9.644 -5.468) 13.001 ======================= Grid point 185 (94/205) ======================= q-point: (-0.44 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -12.764 3.645 5.819) 14.493 2.381 ( -11.550 2.541 -4.804) 12.764 2.768 ( -17.902 1.796 -5.428) 18.793 3.172 ( -2.046 0.236 -7.974) 8.235 3.403 ( -0.525 3.867 -8.877) 9.697 3.725 ( 6.189 8.580 -15.806) 19.019 4.123 ( -0.010 3.706 -2.724) 4.600 4.355 ( 3.888 3.647 -2.342) 5.823 4.380 ( 2.303 4.797 3.512) 6.375 4.767 ( -0.751 0.336 6.346) 6.399 5.337 ( -0.665 1.716 2.322) 2.963 5.422 ( -4.471 2.410 -5.457) 7.455 5.540 ( -7.384 3.018 0.390) 7.986 5.869 ( -0.405 11.875 17.534) 21.180 6.330 ( -1.897 -13.690 8.624) 16.291 6.491 ( -7.265 9.916 -10.479) 16.153 7.159 ( 2.266 -0.327 7.846) 8.173 7.626 ( -19.280 -2.187 -3.244) 19.673 7.703 ( 5.856 -6.275 3.814) 9.392 7.794 ( -9.280 0.262 1.208) 9.362 8.024 ( 1.885 7.461 -2.654) 8.140 8.598 ( 17.689 -1.667 0.326) 17.770 8.710 ( 26.716 -2.277 -4.482) 27.185 9.103 ( 9.280 -18.357 -0.497) 20.575 9.108 ( -0.709 -10.452 -6.975) 12.586 9.568 ( -5.063 -17.772 -8.419) 20.306 10.265 ( 8.070 8.858 -5.854) 13.336 10.469 ( 0.351 0.597 3.381) 3.452 10.713 ( 2.264 6.357 -1.336) 6.880 10.999 ( -0.503 -0.786 3.571) 3.691 11.606 ( -1.992 5.109 -6.990) 8.884 12.224 ( 7.893 -8.107 14.520) 18.408 12.450 ( -1.731 14.488 -10.293) 17.856 13.150 ( -10.907 10.579 10.397) 18.411 13.372 ( -2.894 1.045 6.958) 7.608 14.334 ( -6.732 -17.136 -8.224) 20.164 15.111 ( 1.256 8.116 9.498) 12.556 15.610 ( 8.123 3.199 2.014) 8.960 16.167 ( -7.779 -0.100 4.557) 9.016 16.483 ( 2.766 -0.990 -3.454) 4.534 18.573 ( -1.573 4.943 5.535) 7.586 19.378 ( 2.790 -10.817 -6.155) 12.755 ======================= Grid point 186 (95/205) ======================= q-point: (-0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -19.204 8.100 2.136) 20.951 2.221 ( -3.147 2.498 -2.759) 4.874 2.401 ( -17.666 9.396 3.732) 20.354 3.138 ( 1.235 4.642 -5.984) 7.674 3.258 ( -5.202 -6.105 -5.469) 9.708 3.780 ( 8.910 10.563 -9.422) 16.726 4.021 ( -7.449 5.473 0.878) 9.285 4.267 ( -6.654 4.091 -5.255) 9.414 4.491 ( 2.567 0.777 0.297) 2.699 4.839 ( 1.690 1.932 7.718) 8.134 5.120 ( -20.100 1.345 -3.663) 20.476 5.308 ( -6.431 1.853 -1.082) 6.780 5.466 ( 0.088 2.201 -0.324) 2.226 6.007 ( -4.868 4.310 16.013) 17.282 6.356 ( 2.333 12.446 0.562) 12.675 6.387 ( 2.239 -8.623 2.786) 9.334 7.033 ( -22.592 4.265 1.804) 23.061 7.309 ( -0.561 -1.656 0.293) 1.773 7.562 ( -5.269 -3.439 -5.900) 8.626 7.902 ( 8.524 -8.781 -0.124) 12.238 8.177 ( 10.798 14.327 0.305) 17.943 8.744 ( -4.575 -6.563 -7.048) 10.662 9.014 ( 0.633 -30.094 -2.401) 30.196 9.158 ( 16.892 -5.331 -11.451) 21.092 9.441 ( 15.846 -14.020 3.973) 21.527 9.571 ( 22.237 -12.459 -2.737) 25.636 10.376 ( 8.304 8.576 -4.309) 12.691 10.538 ( 2.799 2.579 1.998) 4.298 10.760 ( 3.136 9.638 -0.838) 10.170 11.061 ( 2.593 6.536 6.405) 9.511 11.368 ( -11.451 11.964 -13.973) 21.668 12.219 ( -15.027 9.057 10.740) 20.572 12.517 ( 10.711 -3.683 -4.784) 12.295 13.157 ( 2.801 -0.402 9.610) 10.018 13.374 ( -4.743 0.686 9.264) 10.430 14.084 ( -12.111 -16.300 -7.620) 21.689 15.190 ( -1.389 8.344 6.494) 10.664 15.776 ( 7.425 3.623 2.432) 8.612 16.098 ( -1.218 6.489 4.517) 8.000 16.582 ( 8.569 -1.237 -0.096) 8.658 18.538 ( -6.798 3.880 5.200) 9.398 19.307 ( -4.180 -13.008 -9.412) 16.592 ======================= Grid point 187 (96/205) ======================= q-point: (-0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -21.520 12.740 2.366) 25.120 2.185 ( -1.244 14.056 8.772) 16.615 2.250 ( -7.670 13.384 6.378) 16.693 2.955 ( -8.971 2.900 -6.394) 11.392 3.221 ( -4.774 -2.814 4.423) 7.090 3.850 ( 3.439 1.092 -0.704) 3.676 3.960 ( -0.132 11.053 5.193) 12.213 4.062 ( -8.286 2.047 -6.223) 10.563 4.464 ( -3.478 4.098 -2.832) 6.075 4.643 ( -24.568 3.211 -2.183) 24.873 4.932 ( 1.644 -0.186 5.184) 5.442 5.187 ( -5.201 -1.641 -1.037) 5.551 5.465 ( -1.012 0.532 0.129) 1.151 5.952 ( -6.088 -6.480 2.931) 9.362 6.395 ( -2.226 3.615 -0.476) 4.272 6.525 ( 4.580 7.499 7.412) 11.496 6.788 ( -4.409 5.744 9.261) 11.756 7.326 ( 2.822 8.678 -4.442) 10.149 7.553 ( 8.362 -13.030 -2.526) 15.687 7.997 ( 4.814 -13.850 -11.640) 18.721 8.364 ( 3.588 5.908 2.124) 7.231 8.540 ( -1.503 -3.460 -7.737) 8.607 9.031 ( 1.299 -22.172 3.250) 22.447 9.223 ( 5.096 -15.801 -12.018) 20.496 9.662 ( 7.672 -3.825 -4.448) 9.658 10.141 ( 28.199 -5.278 3.895) 28.952 10.415 ( -6.970 5.537 1.994) 9.123 10.614 ( 3.101 1.452 -3.674) 5.022 10.799 ( 1.280 8.084 -1.482) 8.318 11.024 ( -2.212 17.830 -5.000) 18.649 11.247 ( 11.845 0.387 -11.413) 16.453 12.000 ( -15.350 6.797 9.915) 19.497 12.697 ( 12.172 -2.444 -2.393) 12.644 13.269 ( -2.687 -5.332 4.406) 7.420 13.366 ( -5.316 1.662 14.491) 15.525 13.789 ( -12.936 -11.181 -2.072) 17.223 15.158 ( -3.812 9.219 -0.698) 10.000 15.825 ( -2.136 -5.492 -1.725) 6.140 16.367 ( 21.140 14.331 14.438) 29.338 16.770 ( 10.058 -0.473 1.478) 10.177 18.412 ( -10.171 2.545 3.533) 11.064 19.035 ( -14.849 -13.057 -13.256) 23.806 ======================= Grid point 188 (97/205) ======================= q-point: (-0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -10.977 19.958 6.992) 23.827 2.026 ( -19.174 23.793 1.687) 30.604 2.229 ( -3.847 11.861 4.956) 13.418 2.893 ( -1.809 -5.452 8.089) 9.921 3.162 ( -0.929 13.393 16.191) 21.033 3.841 ( -5.459 -7.592 -9.085) 13.038 3.980 ( 2.855 -1.537 6.858) 7.586 4.036 ( -1.002 11.125 3.319) 11.653 4.298 ( -5.410 3.990 1.577) 6.904 4.357 ( -3.956 7.615 -1.504) 8.712 4.972 ( -0.977 -0.874 1.918) 2.323 5.117 ( -1.170 -3.338 -0.242) 3.545 5.419 ( -4.266 -1.154 1.114) 4.557 5.888 ( -3.412 -8.824 4.369) 10.421 6.305 ( -3.563 10.980 -3.477) 12.056 6.667 ( 4.160 4.432 7.161) 9.393 6.858 ( -1.467 4.891 10.000) 11.228 7.368 ( 8.615 2.706 -10.888) 14.145 7.772 ( 10.474 -10.361 5.002) 15.559 7.854 ( -4.950 -19.299 -14.560) 24.677 8.329 ( -4.210 -4.037 2.707) 6.430 8.628 ( 11.660 11.227 -9.135) 18.587 9.121 ( 4.380 -18.045 -8.444) 20.399 9.215 ( 5.508 -9.169 -3.114) 11.141 9.671 ( -0.086 0.920 -5.638) 5.713 10.149 ( -17.489 -0.795 -0.515) 17.515 10.452 ( -7.410 7.337 -6.639) 12.362 10.611 ( 12.270 -2.857 2.093) 12.771 10.833 ( 5.196 0.905 -0.121) 5.275 11.126 ( 5.887 7.829 -2.344) 10.072 11.419 ( 20.264 -3.161 -16.945) 26.603 11.870 ( -5.752 2.774 7.502) 9.852 12.930 ( 12.010 -0.514 2.523) 12.283 13.110 ( -15.705 -1.695 2.830) 16.048 13.338 ( -8.768 3.077 11.426) 14.727 13.644 ( -4.971 -4.889 5.946) 9.163 15.066 ( -4.048 10.073 -2.191) 11.075 15.741 ( -3.206 -5.605 -4.836) 8.067 16.916 ( 12.961 0.612 4.562) 13.754 17.027 ( 20.073 -0.276 11.645) 23.208 18.232 ( -8.994 1.894 -0.737) 9.221 18.580 ( -19.089 -4.921 -9.730) 21.983 ======================= Grid point 189 (98/205) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 13.611 26.886 -4.043) 30.405 2.176 ( -5.647 17.571 -4.296) 18.949 2.401 ( -5.411 11.033 0.367) 12.294 2.649 ( 1.434 -10.316 0.816) 10.447 3.382 ( 4.589 -15.071 -4.652) 16.427 3.613 ( -5.808 -13.508 -0.061) 14.704 4.013 ( 9.688 12.846 9.239) 18.554 4.264 ( 4.761 1.460 0.024) 4.980 4.462 ( 5.130 11.751 0.341) 12.827 4.666 ( 1.311 4.977 3.173) 6.046 4.973 ( -0.088 -4.359 4.712) 6.420 5.097 ( -1.158 3.717 12.738) 13.320 5.247 ( -6.141 -0.296 8.053) 10.131 5.748 ( -1.465 -8.800 12.637) 15.469 6.437 ( -5.059 12.553 -4.516) 14.268 6.836 ( 1.503 -1.553 2.166) 3.060 7.026 ( -7.558 11.481 7.755) 15.782 7.215 ( 0.962 -1.904 -12.252) 12.436 7.641 ( 4.346 -7.830 0.217) 8.958 7.733 ( -2.284 -5.711 7.074) 9.375 8.257 ( 9.426 -3.407 1.940) 10.209 8.644 ( 0.166 -17.248 -11.525) 20.745 8.947 ( 7.220 7.444 -8.998) 13.730 9.224 ( 1.158 -5.998 -2.586) 6.633 9.639 ( -2.459 1.883 -3.827) 4.923 9.805 ( -10.377 -2.298 -3.290) 11.126 10.384 ( -0.106 5.155 -14.376) 15.272 10.650 ( 3.809 -10.134 -6.991) 12.888 10.887 ( 1.325 6.881 -5.363) 8.824 11.140 ( 1.207 -2.522 -8.933) 9.361 11.640 ( 5.117 3.563 -4.227) 7.533 11.830 ( -1.392 -3.348 1.760) 4.030 12.912 ( -11.927 4.366 5.362) 13.786 13.074 ( 1.691 -4.631 5.371) 7.290 13.442 ( 2.670 6.000 10.716) 12.568 13.632 ( 3.173 -2.509 9.032) 9.897 15.175 ( -4.067 9.440 -2.302) 10.533 15.499 ( -4.179 -6.746 -6.256) 10.105 17.050 ( 0.083 -0.002 3.106) 3.107 17.107 ( -7.840 -3.594 4.502) 9.729 18.207 ( 0.128 3.491 -2.159) 4.107 18.372 ( 7.065 -3.812 -2.863) 8.523 ======================= Grid point 190 (99/205) ======================= q-point: ( 0.11 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 2.541 14.176 2.846) 14.680 2.198 ( 17.381 15.606 -1.710) 23.422 2.516 ( 11.906 6.395 3.602) 13.987 2.741 ( 8.320 -6.022 -0.704) 10.295 3.354 ( 2.632 -9.023 -1.096) 9.463 3.729 ( 15.341 -16.832 -5.674) 23.471 4.173 ( 2.294 10.287 -1.261) 10.615 4.381 ( 7.302 3.476 -1.707) 8.266 4.509 ( 1.447 10.800 0.324) 10.901 4.690 ( -0.837 -1.653 -0.474) 1.913 5.088 ( 6.449 -6.079 4.320) 9.860 5.203 ( 1.676 -8.062 5.915) 10.139 5.291 ( -0.323 18.033 23.099) 29.306 5.830 ( -2.370 -7.608 14.656) 16.683 6.275 ( -8.248 12.094 -4.042) 15.186 6.779 ( -7.329 -9.238 -3.921) 12.427 6.941 ( -5.523 12.055 6.388) 14.718 7.213 ( 3.858 8.114 -3.294) 9.569 7.597 ( -7.311 -10.039 1.572) 12.518 7.828 ( 6.251 -2.741 2.087) 7.138 8.312 ( -6.176 7.847 -7.200) 12.311 8.562 ( 3.258 -10.975 -8.723) 14.393 8.900 ( -6.278 1.339 -8.104) 10.338 9.140 ( -0.493 -13.186 5.800) 14.414 9.606 ( 0.483 0.379 -2.743) 2.811 9.778 ( 7.550 -4.717 -6.334) 10.926 10.336 ( 5.518 4.317 -12.056) 13.943 10.641 ( 1.899 -13.533 -6.286) 15.042 10.861 ( 1.637 8.959 -7.906) 12.060 11.100 ( 0.461 -1.462 -5.007) 5.236 11.486 ( -15.705 3.108 -3.944) 16.488 11.731 ( -10.704 -5.956 -0.255) 12.252 12.816 ( -0.040 10.508 1.932) 10.684 13.161 ( 3.147 -5.539 5.061) 8.136 13.654 ( 8.892 3.819 10.602) 14.355 13.787 ( 4.348 -0.106 9.909) 10.822 15.089 ( -4.032 7.002 0.608) 8.103 15.355 ( -5.165 -6.173 -6.558) 10.383 16.896 ( -15.121 1.449 4.200) 15.761 16.998 ( -8.105 -2.673 3.602) 9.263 18.240 ( 5.777 7.133 -2.430) 9.495 18.595 ( 15.819 -9.920 -4.510) 19.209 ======================= Grid point 191 (100/205) ======================= q-point: ( 0.22 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 7.726 6.846 3.688) 10.962 2.549 ( 14.956 1.445 7.633) 16.853 2.703 ( 6.069 3.955 2.082) 7.537 2.940 ( 11.857 -5.640 -0.731) 13.150 3.559 ( 16.189 3.097 0.036) 16.483 3.940 ( 9.078 -6.514 -7.167) 13.274 4.164 ( 0.243 12.636 -3.327) 13.069 4.446 ( 3.941 3.715 -3.975) 6.718 4.512 ( 0.317 1.637 -7.383) 7.569 4.718 ( 6.410 -6.585 -2.608) 9.553 5.197 ( -0.115 4.221 6.257) 7.548 5.312 ( 6.631 -4.578 4.929) 9.446 5.565 ( 8.769 6.506 19.711) 22.533 5.889 ( -3.902 -4.860 12.062) 13.577 6.086 ( -7.831 8.834 -0.950) 11.843 6.564 ( -9.263 -11.273 -5.817) 15.708 6.886 ( -4.009 10.643 0.479) 11.383 7.272 ( 2.913 12.974 0.226) 13.299 7.464 ( -4.633 -3.633 -2.461) 6.381 7.895 ( -3.230 -3.910 -2.291) 5.565 8.108 ( -4.272 3.575 -0.889) 5.641 8.513 ( -2.342 -8.575 -5.686) 10.552 8.776 ( 1.199 0.200 -4.598) 4.756 9.202 ( -2.553 -13.773 3.172) 14.363 9.669 ( 5.775 2.695 -0.144) 6.375 9.852 ( 5.624 -5.633 -2.334) 8.295 10.296 ( -4.649 5.607 -7.156) 10.210 10.622 ( 0.273 -13.346 -6.896) 15.025 10.789 ( -3.942 7.190 -4.290) 9.255 10.987 ( -12.528 -0.898 3.835) 13.133 11.196 ( -5.833 0.991 -6.303) 8.644 11.528 ( -0.129 -8.601 -10.910) 13.893 12.922 ( 8.518 15.338 0.275) 17.546 13.257 ( 1.670 -0.163 5.773) 6.012 13.841 ( -1.150 2.852 10.724) 11.156 13.984 ( 9.408 -3.828 6.735) 12.187 15.047 ( -1.940 3.113 3.765) 5.256 15.209 ( -4.777 -4.775 -4.506) 8.119 16.663 ( -13.241 3.265 4.706) 14.427 16.835 ( -11.180 -3.962 2.473) 12.116 18.368 ( 9.142 9.538 -2.041) 13.369 18.829 ( 13.060 -12.266 -5.317) 18.689 ======================= Grid point 192 (101/205) ======================= q-point: ( 0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 4.266 3.358 3.926) 6.700 2.688 ( -3.342 -5.634 4.935) 8.202 2.948 ( 11.586 3.088 6.999) 13.883 3.151 ( 9.441 -4.064 0.698) 10.303 3.726 ( 2.105 7.756 -13.306) 15.545 3.946 ( 3.180 0.422 -9.183) 9.727 4.158 ( 2.403 13.656 -4.036) 14.441 4.396 ( -1.630 3.758 -7.654) 8.681 4.499 ( 2.564 0.059 -4.265) 4.977 4.824 ( 4.896 -4.368 -3.178) 7.291 5.227 ( -0.732 5.984 4.582) 7.572 5.498 ( 3.950 0.259 11.947) 12.585 5.828 ( -7.254 2.832 -0.958) 7.846 5.919 ( 12.158 -3.747 8.364) 15.225 6.052 ( -2.064 3.323 13.751) 14.297 6.434 ( 4.809 -14.535 -5.056) 16.123 6.832 ( 2.192 10.529 -4.553) 11.678 7.313 ( 3.229 10.342 1.405) 10.925 7.441 ( 3.312 -0.580 -2.992) 4.501 7.745 ( -4.829 2.685 -2.651) 6.129 8.125 ( 1.227 -5.385 3.011) 6.291 8.450 ( -0.119 -18.789 -3.116) 19.046 8.768 ( -0.973 4.032 -4.464) 6.094 9.088 ( -10.205 -7.549 0.610) 12.708 9.589 ( -16.993 13.265 0.375) 21.561 9.906 ( -9.037 -3.324 -4.804) 10.761 10.143 ( 5.391 2.640 0.928) 6.074 10.437 ( -9.190 -12.702 -8.865) 18.011 10.730 ( -3.901 -1.225 4.791) 6.299 10.893 ( -1.129 -6.535 10.283) 12.236 11.188 ( 10.531 5.649 -5.341) 13.089 11.575 ( 15.290 -7.992 -18.790) 25.509 13.067 ( 5.465 18.684 -2.278) 19.600 13.315 ( -0.593 3.816 7.080) 8.065 13.803 ( -11.953 5.070 10.478) 16.685 14.161 ( 4.838 -11.630 -0.682) 12.615 15.076 ( 0.659 1.356 2.866) 3.238 15.157 ( 1.830 -3.311 5.029) 6.293 16.477 ( -10.682 3.217 4.442) 12.007 16.643 ( -9.639 -3.624 -0.055) 10.298 18.528 ( 8.311 9.831 -0.235) 12.876 19.000 ( 9.568 -12.185 -4.535) 16.143 ======================= Grid point 193 (102/205) ======================= q-point: (-0.56 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -4.420 2.039 5.293) 7.191 2.600 ( -8.809 -1.647 2.839) 9.400 3.066 ( -6.374 -0.666 1.901) 6.685 3.213 ( -4.583 -4.436 -0.903) 6.442 3.590 ( 5.814 8.491 -20.602) 23.029 3.884 ( 4.072 -2.990 -21.357) 21.946 4.157 ( 1.159 10.611 -1.685) 10.806 4.414 ( 4.375 9.065 -1.410) 10.164 4.513 ( 3.879 2.775 -0.251) 4.776 4.823 ( -2.928 3.465 0.380) 4.552 5.262 ( 2.181 -0.301 0.212) 2.212 5.609 ( -3.540 -0.264 12.315) 12.817 5.657 ( -7.787 3.980 -3.478) 9.411 5.985 ( -2.954 -13.790 -4.400) 14.774 6.154 ( -2.505 14.446 18.773) 23.820 6.708 ( 18.925 -4.205 -2.547) 19.553 6.900 ( 1.877 4.163 6.547) 7.983 7.462 ( 2.976 -6.187 -6.251) 9.285 7.540 ( 18.776 2.233 1.319) 18.954 7.783 ( 9.737 10.484 2.842) 14.588 8.153 ( -0.730 -7.046 -0.175) 7.086 8.454 ( 2.842 -18.700 -0.792) 18.932 8.646 ( -6.178 3.207 -3.403) 7.748 8.789 ( -20.762 -0.620 -1.482) 20.824 9.194 ( -14.998 2.348 -5.772) 16.241 9.562 ( -20.502 -11.882 -7.241) 24.778 10.281 ( 7.765 3.958 -1.728) 8.885 10.379 ( 4.703 -2.736 1.547) 5.657 10.752 ( 1.101 3.136 7.112) 7.851 10.983 ( 4.353 -0.525 0.272) 4.393 11.456 ( 14.150 0.120 6.669) 15.643 11.739 ( 17.073 -8.726 -13.672) 23.549 13.024 ( -6.109 19.808 -6.053) 21.594 13.377 ( 0.961 3.595 4.928) 6.175 13.586 ( -18.698 6.569 9.071) 21.796 14.142 ( -2.748 -17.054 -6.526) 18.466 15.146 ( 2.901 5.567 7.535) 9.807 15.337 ( 8.443 -4.775 9.268) 13.415 16.331 ( -8.174 3.619 3.382) 9.558 16.492 ( -4.817 -3.129 -2.322) 6.196 18.658 ( 4.400 9.237 1.568) 10.351 19.111 ( 5.747 -11.888 -3.654) 13.701 ======================= Grid point 194 (103/205) ======================= q-point: (-0.44 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -10.629 2.159 3.813) 11.496 2.410 ( -11.392 0.215 -2.046) 11.576 2.819 ( -13.687 3.761 -2.411) 14.398 3.068 ( -6.638 -7.314 -2.179) 10.115 3.526 ( 0.996 7.206 -16.325) 17.872 3.845 ( 8.540 -2.587 -19.006) 20.997 4.169 ( 0.707 7.790 -1.646) 7.993 4.433 ( 2.082 1.842 -2.745) 3.906 4.640 ( 1.485 14.969 2.826) 15.305 4.774 ( -1.192 1.782 5.208) 5.632 5.283 ( -0.246 -2.498 -2.766) 3.736 5.487 ( -5.783 3.629 -4.607) 8.236 5.590 ( -7.176 -0.315 7.172) 10.151 5.880 ( -3.974 -15.509 -1.732) 16.104 6.301 ( 0.050 16.824 22.176) 27.836 6.837 ( 3.844 20.366 -12.658) 24.285 7.012 ( -1.673 -13.340 14.863) 20.042 7.441 ( -3.020 -7.971 -4.500) 9.639 7.744 ( -5.848 3.903 3.425) 7.821 7.892 ( -10.284 7.954 0.052) 13.001 8.188 ( 12.322 7.292 2.495) 14.533 8.487 ( -3.910 -14.284 -4.520) 15.484 8.654 ( 11.991 -3.582 -4.294) 13.230 8.700 ( 22.445 -11.854 2.524) 25.508 8.950 ( -2.831 -6.395 -8.865) 11.292 9.150 ( -12.232 -20.209 -8.409) 25.074 10.408 ( 6.727 4.842 -2.586) 8.682 10.486 ( 4.154 0.059 1.926) 4.579 10.877 ( 5.085 9.788 5.607) 12.373 11.064 ( 6.653 3.771 -4.196) 8.723 11.682 ( 5.599 4.016 -0.627) 6.919 12.024 ( 12.787 -10.829 10.086) 19.558 12.788 ( -9.596 17.338 -10.385) 22.373 13.259 ( -15.488 -2.431 0.491) 15.685 13.441 ( -3.146 8.477 7.719) 11.889 13.991 ( -6.813 -16.803 -6.165) 19.151 15.284 ( 2.394 8.469 10.646) 13.813 15.571 ( 7.435 -5.388 7.987) 12.170 16.240 ( -3.172 5.865 2.022) 6.968 16.442 ( 2.059 -3.151 -2.174) 4.347 18.706 ( -1.230 8.320 2.262) 8.710 19.142 ( 0.514 -12.226 -4.088) 12.901 ======================= Grid point 195 (104/205) ======================= q-point: (-0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -12.704 5.218 -0.697) 13.752 2.251 ( -2.486 0.226 -2.700) 3.676 2.617 ( -7.548 10.882 6.385) 14.702 3.013 ( 1.226 -9.738 2.638) 10.164 3.334 ( -7.727 8.267 -14.781) 18.615 3.786 ( -1.530 -9.861 -12.708) 16.157 4.174 ( 2.421 11.910 -2.031) 12.322 4.446 ( 0.093 3.669 -5.289) 6.438 4.565 ( -6.903 10.850 3.144) 13.239 4.874 ( 2.071 0.732 7.378) 7.698 5.143 ( -11.808 1.027 -4.358) 12.628 5.354 ( -6.355 2.935 -3.964) 8.044 5.495 ( -8.029 -0.607 7.504) 11.007 5.803 ( -5.274 -15.597 2.255) 16.618 6.482 ( 0.014 13.916 16.316) 21.444 6.775 ( -0.455 23.417 -5.650) 24.093 7.059 ( 0.730 -13.742 0.433) 13.768 7.193 ( -16.266 11.213 6.651) 20.846 7.640 ( -1.586 -11.161 -0.087) 11.274 7.781 ( 0.804 13.937 -9.028) 16.625 8.290 ( -11.528 -34.946 -2.200) 36.864 8.423 ( 9.259 6.992 1.395) 11.686 8.683 ( 1.560 -6.960 -4.847) 8.624 8.881 ( -4.554 -17.250 -5.578) 18.693 9.247 ( 29.570 -2.679 -2.354) 29.785 9.385 ( 34.888 -7.729 0.190) 35.734 10.502 ( 5.530 3.982 -1.568) 6.993 10.557 ( 2.598 0.121 0.497) 2.648 10.967 ( 4.154 9.882 -5.587) 12.088 11.169 ( 7.143 2.013 -4.738) 8.805 11.643 ( -9.692 15.589 -0.350) 18.360 12.211 ( -8.410 -8.872 13.487) 18.203 12.612 ( 3.286 11.476 -8.412) 14.603 13.072 ( -1.851 -7.768 0.755) 8.021 13.430 ( -5.150 5.225 8.030) 10.876 13.799 ( -9.494 -12.386 -2.152) 15.754 15.372 ( -1.176 9.345 6.408) 11.392 15.708 ( 1.111 -6.804 4.084) 8.013 16.294 ( 7.613 9.791 3.850) 12.986 16.541 ( 8.653 -3.008 0.887) 9.204 18.645 ( -6.874 6.896 1.687) 9.882 19.046 ( -6.523 -12.539 -6.011) 15.360 ======================= Grid point 196 (105/205) ======================= q-point: (-0.22 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -8.524 13.845 -3.089) 16.549 2.254 ( 3.704 -0.471 -1.129) 3.901 2.683 ( 2.384 18.517 17.408) 25.527 2.975 ( -13.499 5.355 -12.431) 19.116 3.125 ( 0.634 -7.456 2.748) 7.971 3.648 ( -1.166 -15.635 -4.227) 16.238 4.216 ( 2.702 11.579 -2.554) 12.161 4.265 ( -14.152 12.343 -1.852) 18.870 4.483 ( -6.461 1.236 -1.385) 6.723 4.817 ( -11.899 3.606 -5.416) 13.562 4.957 ( -1.949 2.582 8.194) 8.809 5.161 ( -11.022 4.022 2.155) 11.929 5.427 ( -6.676 -5.239 6.844) 10.902 5.716 ( -5.703 -12.425 4.108) 14.275 6.584 ( 3.731 11.863 2.941) 12.779 6.682 ( -4.657 9.206 -2.647) 10.651 7.035 ( -5.938 16.220 12.821) 21.511 7.243 ( 13.732 -8.721 -1.951) 16.384 7.621 ( -4.071 10.612 1.747) 11.499 7.675 ( 1.873 -15.668 -20.325) 25.731 8.115 ( -7.608 -21.504 9.268) 24.622 8.636 ( 12.784 5.765 -3.508) 14.456 8.714 ( 5.300 -18.562 -7.710) 20.787 8.815 ( 3.555 -12.170 -1.209) 12.736 9.678 ( 16.568 4.370 -5.408) 17.968 9.983 ( 24.378 -8.911 0.581) 25.962 10.541 ( -1.434 5.660 0.487) 5.859 10.638 ( 4.744 0.519 -1.603) 5.034 10.957 ( 0.012 7.544 -6.122) 9.716 11.208 ( 6.081 -3.971 -13.353) 15.200 11.414 ( -7.287 19.374 -4.510) 21.185 11.999 ( -15.488 -6.948 3.583) 17.349 12.748 ( 11.050 7.317 0.726) 13.273 13.137 ( 0.936 -8.265 5.447) 9.943 13.399 ( -6.192 2.676 11.917) 13.694 13.614 ( -9.572 -7.086 2.583) 12.187 15.352 ( -3.153 9.745 -0.073) 10.243 15.696 ( -2.684 -7.164 -1.091) 7.728 16.587 ( 16.615 7.845 8.189) 20.117 16.751 ( 10.914 -1.567 3.136) 11.463 18.486 ( -10.385 4.912 0.163) 11.489 18.796 ( -13.413 -10.599 -7.515) 18.674 ======================= Grid point 197 (106/205) ======================= q-point: (-0.11 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 1.676 24.256 -3.969) 24.635 2.305 ( -1.231 7.304 0.288) 7.413 2.610 ( -10.295 9.881 -12.189) 18.767 2.747 ( -12.849 3.595 7.679) 15.394 3.201 ( 9.091 -7.254 6.355) 13.253 3.738 ( 4.010 -15.209 4.655) 16.403 3.949 ( -14.782 11.676 -0.529) 18.844 4.191 ( -1.704 2.510 1.302) 3.302 4.376 ( 2.043 8.173 -2.601) 8.816 4.671 ( -2.539 10.097 -1.238) 10.484 4.970 ( -3.478 -3.074 6.658) 8.117 5.057 ( -4.046 4.797 7.647) 9.892 5.335 ( -8.366 -5.816 5.959) 11.803 5.691 ( -2.485 -10.053 8.531) 13.417 6.550 ( -2.856 12.498 -5.640) 14.006 6.736 ( 5.589 3.690 3.464) 7.540 7.044 ( -4.088 11.523 10.672) 16.229 7.399 ( -4.165 -4.752 -19.330) 20.336 7.497 ( 10.826 -8.676 -0.628) 13.888 7.689 ( 0.436 -2.420 7.653) 8.038 8.116 ( 0.416 -11.605 6.142) 13.136 8.701 ( 2.915 -21.529 -10.234) 24.015 8.822 ( 11.876 5.120 -6.997) 14.705 9.030 ( 15.581 -6.111 -0.809) 16.756 9.763 ( -1.121 7.608 -6.087) 9.807 10.103 ( -12.069 -5.245 -1.754) 13.276 10.547 ( -0.901 1.975 -8.439) 8.713 10.597 ( 3.605 2.056 -6.330) 7.569 10.908 ( -0.197 5.897 -2.923) 6.584 11.197 ( 1.923 -3.974 -11.160) 12.001 11.449 ( 15.117 8.703 -6.364) 18.568 11.833 ( -3.479 -5.906 1.616) 7.042 12.955 ( 7.151 3.107 4.480) 8.993 13.093 ( -9.920 -1.174 5.588) 11.446 13.390 ( -6.046 2.317 12.080) 13.706 13.540 ( -1.701 -5.020 7.441) 9.136 15.272 ( -3.611 10.065 -3.056) 11.121 15.614 ( -3.290 -6.977 -4.463) 8.912 16.934 ( 9.694 1.198 3.947) 10.536 17.003 ( 11.713 -1.832 7.415) 13.983 18.289 ( -7.976 3.666 -2.366) 9.091 18.477 ( -12.202 -5.200 -4.917) 14.145 ======================= Grid point 198 (107/205) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 6.638 -14.002 -10.010) 18.448 2.381 ( 6.638 14.002 -10.010) 18.448 2.460 ( -1.182 -7.695 -0.315) 7.792 2.460 ( -1.182 7.695 -0.315) 7.792 3.315 ( -4.478 -10.668 -0.572) 11.584 3.315 ( -4.478 10.668 -0.572) 11.584 4.228 ( 8.021 -6.560 3.837) 11.050 4.228 ( 8.021 6.560 3.837) 11.050 4.636 ( 5.432 -6.927 -6.081) 10.699 4.636 ( 5.432 6.927 -6.081) 10.699 4.972 ( -4.928 -7.045 10.239) 13.370 4.972 ( -4.928 7.045 10.239) 13.370 5.513 ( -3.133 -15.196 18.068) 23.815 5.513 ( -3.133 15.196 18.068) 23.815 6.682 ( -3.049 -11.211 -5.229) 12.741 6.682 ( -3.049 11.211 -5.229) 12.741 7.246 ( -3.926 -5.824 7.634) 10.373 7.246 ( -3.926 5.824 7.634) 10.373 7.556 ( 3.266 -7.086 -1.164) 7.889 7.556 ( 3.266 7.086 -1.164) 7.889 8.335 ( 7.391 -11.881 -1.216) 14.045 8.335 ( 7.391 11.881 -1.216) 14.045 9.094 ( 4.340 -6.957 -7.981) 11.443 9.094 ( 4.340 6.957 -7.981) 11.443 9.726 ( -9.459 -5.324 -3.525) 11.412 9.726 ( -9.459 5.324 -3.525) 11.412 10.487 ( 1.559 -5.904 -13.281) 14.617 10.487 ( 1.559 5.904 -13.281) 14.617 11.038 ( 2.975 -7.086 -9.301) 12.065 11.038 ( 2.975 7.086 -9.301) 12.065 11.739 ( 0.508 -5.388 1.198) 5.543 11.739 ( 0.508 5.388 1.198) 5.543 12.991 ( -5.118 -3.749 4.973) 8.061 12.991 ( -5.118 3.749 4.973) 8.061 13.553 ( 3.929 -4.995 10.196) 12.014 13.553 ( 3.929 4.995 10.196) 12.014 15.352 ( -4.276 -8.046 -4.519) 10.171 15.352 ( -4.276 8.046 -4.519) 10.171 17.061 ( -3.264 -1.254 3.784) 5.152 17.061 ( -3.264 1.254 3.784) 5.152 18.287 ( 2.824 -4.331 -2.614) 5.793 18.287 ( 2.824 4.331 -2.614) 5.793 ======================= Grid point 200 (108/205) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 4.588 -3.382 -4.612) 7.332 2.354 ( 4.588 3.382 -4.612) 7.332 2.617 ( 8.188 -4.953 2.708) 9.945 2.617 ( 8.188 4.953 2.708) 9.945 3.390 ( 15.594 -13.189 -3.548) 20.730 3.390 ( 15.594 13.189 -3.548) 20.730 4.363 ( 5.424 -6.553 -2.823) 8.962 4.363 ( 5.424 6.553 -2.823) 8.962 4.638 ( -0.883 -3.280 -4.478) 5.620 4.638 ( -0.883 3.280 -4.478) 5.620 5.056 ( 5.034 -4.383 8.107) 10.502 5.056 ( 5.034 4.383 8.107) 10.502 5.621 ( -3.423 -13.583 21.416) 25.591 5.621 ( -3.423 13.583 21.416) 25.591 6.535 ( -7.587 -13.055 -5.961) 16.233 6.535 ( -7.587 13.055 -5.961) 16.233 7.231 ( -5.310 -13.764 8.849) 17.203 7.231 ( -5.310 13.764 8.849) 17.203 7.605 ( 4.123 -15.387 -3.313) 16.271 7.605 ( 4.123 15.387 -3.313) 16.271 8.441 ( 2.912 -4.007 -4.769) 6.876 8.441 ( 2.912 4.007 -4.769) 6.876 8.942 ( -8.641 -4.978 -1.728) 10.121 8.942 ( -8.641 4.978 -1.728) 10.121 9.669 ( 4.304 -5.190 -4.749) 8.247 9.669 ( 4.304 5.190 -4.749) 8.247 10.442 ( 4.484 -6.759 -11.468) 14.046 10.442 ( 4.484 6.759 -11.468) 14.046 11.020 ( 2.466 -6.326 -8.160) 10.615 11.020 ( 2.466 6.326 -8.160) 10.615 11.596 ( -15.267 -6.960 -0.535) 16.787 11.596 ( -15.267 6.960 -0.535) 16.787 13.013 ( 4.538 -8.876 2.849) 10.368 13.013 ( 4.538 8.876 2.849) 10.368 13.737 ( 5.207 -4.056 11.155) 12.962 13.737 ( 5.207 4.056 11.155) 12.962 15.229 ( -5.042 -6.645 -3.381) 9.000 15.229 ( -5.042 6.645 -3.381) 9.000 16.941 ( -11.134 -2.781 3.598) 12.027 16.941 ( -11.134 2.781 3.598) 12.027 18.403 ( 10.465 -8.996 -3.230) 14.173 18.403 ( 10.465 8.996 -3.230) 14.173 ======================= Grid point 202 (109/205) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 4.598 -8.921 2.883) 10.442 2.447 ( 4.598 8.921 2.883) 10.442 2.818 ( 11.318 -6.188 2.565) 13.152 2.818 ( 11.318 6.188 2.565) 13.152 3.736 ( 19.275 -12.006 -4.164) 23.087 3.736 ( 19.275 12.006 -4.164) 23.087 4.408 ( 3.919 -9.332 -6.322) 11.933 4.408 ( 3.919 9.332 -6.322) 11.933 4.571 ( -0.441 -4.811 -5.134) 7.049 4.571 ( -0.441 4.811 -5.134) 7.049 5.241 ( 8.598 -2.266 4.088) 9.786 5.241 ( 8.598 2.267 4.088) 9.786 5.737 ( -2.472 -9.132 20.304) 22.400 5.737 ( -2.472 9.132 20.304) 22.400 6.312 ( -9.895 -12.352 -5.474) 16.746 6.312 ( -9.895 12.352 -5.474) 16.746 7.186 ( -4.942 -15.956 3.793) 17.129 7.186 ( -4.942 15.956 3.793) 17.129 7.658 ( 4.223 -17.596 -2.622) 18.285 7.658 ( 4.223 17.596 -2.622) 18.285 8.285 ( -9.395 -12.429 -7.928) 17.481 8.285 ( -9.395 12.429 -7.928) 17.481 8.929 ( 2.008 -12.480 3.591) 13.141 8.929 ( 2.008 12.480 3.591) 13.141 9.740 ( 5.835 -4.755 -0.038) 7.527 9.740 ( 5.835 4.755 -0.038) 7.527 10.424 ( -0.015 -7.343 -8.858) 11.506 10.424 ( -0.015 7.343 -8.858) 11.506 10.908 ( -14.155 -5.523 2.423) 15.387 10.908 ( -14.155 5.523 2.423) 15.387 11.337 ( 0.392 -9.973 -12.485) 15.984 11.337 ( 0.392 9.973 -12.485) 15.984 13.172 ( 8.871 -8.731 1.556) 12.543 13.172 ( 8.871 8.731 1.556) 12.543 13.898 ( 1.250 -3.862 10.519) 11.275 13.898 ( 1.250 3.862 10.519) 11.275 15.123 ( -3.758 -4.111 -0.547) 5.597 15.123 ( -3.758 4.111 -0.547) 5.597 16.745 ( -11.985 -4.620 3.220) 13.242 16.745 ( -11.985 4.620 3.220) 13.242 18.584 ( 11.117 -11.766 -3.406) 16.542 18.584 ( 11.117 11.766 -3.406) 16.542 ======================= Grid point 204 (110/205) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.960 -7.218 4.627) 8.627 2.538 ( 0.960 7.218 4.627) 8.627 3.050 ( 8.393 -5.619 4.255) 10.960 3.050 ( 8.393 5.619 4.255) 10.960 3.877 ( 2.672 -6.428 -13.099) 14.834 3.877 ( 2.672 6.428 -13.099) 14.834 4.408 ( 1.885 -8.788 -6.758) 11.245 4.408 ( 1.885 8.788 -6.758) 11.245 4.590 ( 6.279 -14.320 -3.393) 16.000 4.590 ( 6.279 14.320 -3.393) 16.000 5.414 ( 3.864 -9.140 4.894) 11.065 5.414 ( 3.864 9.140 4.894) 11.065 5.852 ( -2.845 -1.421 9.189) 9.723 5.852 ( -2.845 1.421 9.189) 9.723 6.188 ( 3.851 -9.560 4.222) 11.137 6.188 ( 3.851 9.560 4.222) 11.137 7.129 ( -0.446 -16.091 -2.889) 16.354 7.129 ( -0.446 16.091 -2.889) 16.354 7.722 ( 5.015 -13.927 -2.174) 14.961 7.722 ( 5.015 13.927 -2.174) 14.961 8.094 ( -5.154 -11.082 -2.182) 12.415 8.094 ( -5.154 11.082 -2.182) 12.415 8.921 ( -4.671 -8.898 -1.405) 10.147 8.921 ( -4.671 8.898 -1.405) 10.147 9.806 ( -9.933 -7.618 0.606) 12.532 9.806 ( -9.933 7.618 0.606) 12.532 10.231 ( -5.127 -7.243 -2.247) 9.154 10.231 ( -5.127 7.243 -2.247) 9.154 10.759 ( -3.526 -4.688 9.982) 11.578 10.759 ( -3.526 4.688 9.982) 11.578 11.385 ( 15.046 -10.732 -17.863) 25.703 11.385 ( 15.046 10.732 -17.863) 25.703 13.322 ( 4.944 -5.238 0.718) 7.238 13.322 ( 4.944 5.238 0.718) 7.238 13.926 ( -6.074 -9.452 6.181) 12.824 13.926 ( -6.074 9.452 6.181) 12.824 15.110 ( 1.392 -1.849 4.441) 5.008 15.110 ( 1.392 1.849 4.441) 5.008 16.558 ( -9.945 -4.500 2.067) 11.110 16.558 ( -9.945 4.500 2.067) 11.110 18.751 ( 8.971 -12.124 -2.385) 15.269 18.751 ( 8.971 12.124 -2.385) 15.269 ======================= Grid point 206 (111/205) ======================= q-point: (-0.56 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -6.036 -3.746 4.693) 8.514 2.534 ( -6.036 3.746 4.693) 8.514 3.116 ( -5.697 -4.638 1.107) 7.429 3.116 ( -5.697 4.638 1.107) 7.429 3.755 ( 3.990 -8.056 -20.916) 22.766 3.755 ( 3.990 8.056 -20.916) 22.766 4.380 ( 0.355 -9.447 -3.947) 10.245 4.380 ( 0.355 9.447 -3.947) 10.245 4.705 ( 6.885 -12.688 -0.680) 14.452 4.705 ( 6.885 12.688 -0.680) 14.452 5.454 ( -3.197 -14.544 5.322) 15.814 5.454 ( -3.197 14.544 5.322) 15.814 5.751 ( -6.446 -6.614 -2.950) 9.695 5.751 ( -6.446 6.614 -2.950) 9.695 6.470 ( 7.431 -15.178 18.043) 24.721 6.470 ( 7.431 15.178 18.043) 24.721 7.161 ( 8.559 -16.185 -8.465) 20.171 7.161 ( 8.559 16.185 -8.465) 20.171 7.844 ( 8.770 -15.961 0.206) 18.213 7.844 ( 8.770 15.961 0.206) 18.213 8.074 ( 5.027 -11.545 1.197) 12.649 8.074 ( 5.027 11.545 1.197) 12.649 8.745 ( -12.375 -4.561 -1.571) 13.282 8.745 ( -12.375 4.561 -1.571) 13.282 9.323 ( -26.171 -10.357 -8.920) 29.526 9.323 ( -26.171 10.357 -8.920) 29.526 10.343 ( 8.206 -2.085 1.593) 8.616 10.343 ( 8.206 2.085 1.593) 8.616 10.875 ( 4.415 -8.080 11.821) 14.984 10.875 ( 4.415 8.080 11.821) 14.984 11.563 ( 16.694 -8.463 -11.302) 21.864 11.563 ( 16.694 8.463 -11.302) 21.864 13.327 ( -5.318 -9.137 -1.455) 10.671 13.327 ( -5.318 9.137 -1.455) 10.671 13.801 ( -8.644 -15.346 1.251) 17.657 13.801 ( -8.644 15.346 1.251) 17.657 15.245 ( 5.897 -4.462 9.394) 11.955 15.245 ( 5.897 4.462 9.394) 11.955 16.415 ( -6.067 -4.296 0.498) 7.451 16.415 ( -6.067 4.296 0.498) 7.451 18.871 ( 4.956 -11.683 -1.260) 12.753 18.871 ( 4.956 11.683 -1.260) 12.753 ======================= Grid point 208 (112/205) ======================= q-point: (-0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -10.454 -1.473 1.377) 10.646 2.395 ( -10.454 1.473 1.377) 10.646 2.924 ( -9.995 -6.526 -1.827) 12.076 2.924 ( -9.995 6.526 -1.827) 12.076 3.695 ( 3.965 -9.218 -17.302) 20.002 3.695 ( 3.965 9.218 -17.302) 20.002 4.365 ( 1.545 -8.315 -3.340) 9.093 4.365 ( 1.545 8.315 -3.340) 9.093 4.806 ( 2.229 -3.043 2.282) 4.409 4.806 ( 2.229 3.043 2.282) 4.409 5.397 ( -7.108 -12.683 3.381) 14.927 5.397 ( -7.108 12.683 3.381) 14.927 5.631 ( -2.306 -7.102 -4.171) 8.553 5.631 ( -2.306 7.102 -4.171) 8.553 6.670 ( -1.184 -18.160 18.384) 25.868 6.670 ( -1.184 18.160 18.384) 25.868 7.235 ( 5.682 -14.993 -7.865) 17.859 7.235 ( 5.682 14.993 -7.865) 17.859 7.897 ( -6.515 -10.330 0.980) 12.252 7.897 ( -6.515 10.330 0.980) 12.252 8.269 ( -4.797 -4.580 2.796) 7.198 8.269 ( -4.797 4.580 2.796) 7.198 8.600 ( 16.559 -1.122 -1.120) 16.635 8.600 ( 16.559 1.122 -1.120) 16.635 8.902 ( -6.547 -3.357 -10.814) 13.079 8.902 ( -6.547 3.357 -10.814) 13.079 10.470 ( 5.174 -1.717 -0.494) 5.474 10.470 ( 5.174 1.717 -0.494) 5.474 11.050 ( 6.659 -5.657 1.411) 8.851 11.050 ( 6.659 5.657 1.411) 8.851 11.814 ( 11.667 -9.238 4.539) 15.558 11.814 ( 11.667 9.238 4.539) 15.558 13.097 ( -13.158 -12.535 -6.821) 19.411 13.097 ( -13.158 12.535 -6.821) 19.411 13.676 ( -5.958 -14.108 1.465) 15.385 13.676 ( -5.958 14.108 1.465) 15.385 15.441 ( 4.626 -7.184 10.414) 13.471 15.441 ( 4.626 7.184 10.414) 13.471 16.357 ( 0.466 -5.274 -0.197) 5.298 16.357 ( 0.466 5.274 -0.197) 5.298 18.904 ( -0.700 -11.164 -1.182) 11.248 18.904 ( -0.700 11.164 -1.182) 11.248 ======================= Grid point 210 (113/205) ======================= q-point: (-0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -6.221 -3.071 -1.916) 7.197 2.222 ( -6.221 3.071 -1.916) 7.197 2.820 ( -1.219 -9.561 4.996) 10.856 2.820 ( -1.219 9.561 4.996) 10.856 3.546 ( -6.209 -12.324 -13.756) 19.485 3.546 ( -6.209 12.324 -13.756) 19.485 4.383 ( 3.580 -7.654 -5.017) 9.827 4.383 ( 3.580 7.654 -5.017) 9.827 4.802 ( -5.970 -8.654 3.911) 11.218 4.802 ( -5.970 8.654 3.911) 11.218 5.253 ( -9.149 -9.996 1.375) 13.621 5.253 ( -9.149 9.996 1.375) 13.621 5.572 ( -3.703 -8.176 0.363) 8.983 5.572 ( -3.703 8.176 0.363) 8.983 6.753 ( -3.347 -13.066 11.366) 17.638 6.753 ( -3.347 13.066 11.366) 17.638 7.274 ( 5.544 -18.943 -6.032) 20.639 7.274 ( 5.544 18.943 -6.032) 20.639 7.624 ( -17.708 -27.245 2.149) 32.565 7.624 ( -17.708 27.245 2.149) 32.565 8.184 ( 1.082 -22.806 -3.464) 23.093 8.184 ( 1.082 22.806 -3.464) 23.093 8.693 ( -1.062 -6.110 -3.397) 7.071 8.693 ( -1.062 6.110 -3.397) 7.071 9.263 ( 35.070 -3.787 -1.451) 35.303 9.263 ( 35.070 3.787 -1.451) 35.303 10.549 ( 3.944 -1.090 -0.074) 4.093 10.549 ( 3.944 1.090 -0.074) 4.093 11.128 ( 4.941 -5.599 -8.683) 11.453 11.128 ( 4.941 5.599 -8.683) 11.453 11.961 ( -6.133 -15.021 8.956) 18.533 11.961 ( -6.133 15.021 8.956) 18.533 12.864 ( -1.767 -12.330 -5.331) 13.549 12.864 ( -1.767 12.330 -5.331) 13.549 13.580 ( -6.889 -9.436 3.902) 12.318 13.580 ( -6.889 9.436 3.902) 12.318 15.552 ( -0.391 -8.484 5.808) 10.289 15.552 ( -0.391 8.484 5.808) 10.289 16.453 ( 8.836 -6.015 2.285) 10.930 16.453 ( 8.836 6.015 2.285) 10.930 18.817 ( -7.024 -10.118 -2.252) 12.521 18.817 ( -7.024 10.118 -2.252) 12.521 ======================= Grid point 212 (114/205) ======================= q-point: (-0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 1.542 -9.238 -3.235) 9.909 2.155 ( 1.542 9.238 -3.235) 9.909 2.924 ( 0.640 -9.438 7.648) 12.164 2.924 ( 0.640 9.438 7.648) 12.164 3.291 ( -6.521 -19.025 -6.194) 21.044 3.291 ( -6.521 19.025 -6.194) 21.044 4.363 ( -3.480 -3.072 -6.610) 8.077 4.363 ( -3.480 3.072 -6.610) 8.077 4.651 ( -8.957 -13.607 0.359) 16.294 4.651 ( -8.957 13.607 0.359) 16.294 5.113 ( -7.906 -10.336 4.707) 13.838 5.113 ( -7.906 10.336 4.707) 13.838 5.489 ( -7.056 -11.118 6.536) 14.701 5.489 ( -7.056 11.118 6.536) 14.701 6.757 ( -1.390 -5.205 2.329) 5.869 6.757 ( -1.390 5.205 2.329) 5.869 7.313 ( 5.400 -14.446 -15.549) 21.900 7.313 ( 5.400 14.446 -15.549) 21.900 7.440 ( -8.104 -19.230 16.565) 26.643 7.440 ( -8.104 19.230 16.565) 26.643 8.197 ( 3.173 -23.892 -4.432) 24.506 8.197 ( 3.173 23.892 -4.432) 24.506 8.735 ( 8.624 -2.940 -3.187) 9.653 8.735 ( 8.624 2.940 -3.187) 9.653 9.808 ( 21.310 -8.063 -2.824) 22.959 9.808 ( 21.310 8.063 -2.824) 22.959 10.622 ( 3.226 -2.346 -0.104) 3.990 10.622 ( 3.226 2.346 -0.104) 3.990 11.099 ( 1.317 -6.512 -10.784) 12.666 11.099 ( 1.317 6.512 -10.784) 12.666 11.766 ( -11.546 -15.206 -2.361) 19.239 11.766 ( -11.546 15.206 -2.361) 19.239 12.941 ( 5.850 -10.599 4.710) 12.991 12.941 ( 5.850 10.599 4.710) 12.991 13.486 ( -7.489 -5.655 7.086) 11.759 13.486 ( -7.489 5.655 7.086) 11.759 15.538 ( -2.883 -8.611 -0.250) 9.084 15.538 ( -2.883 8.611 -0.250) 9.084 16.700 ( 12.866 -3.787 5.019) 14.320 16.700 ( 12.866 3.787 5.019) 14.320 18.612 ( -11.469 -7.714 -3.381) 14.229 18.612 ( -11.469 7.714 -3.381) 14.229 ======================= Grid point 214 (115/205) ======================= q-point: (-0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 8.656 -15.247 -3.208) 17.824 2.226 ( 8.656 15.247 -3.208) 17.824 2.723 ( -14.383 -11.073 -8.676) 20.119 2.723 ( -14.383 11.073 -8.676) 20.119 3.362 ( 1.667 -20.017 9.100) 22.052 3.362 ( 1.667 20.017 9.100) 22.052 4.155 ( -6.858 -6.289 -1.304) 9.396 4.155 ( -6.858 6.289 -1.304) 9.396 4.592 ( 3.368 -11.805 -5.419) 13.419 4.592 ( 3.368 11.805 -5.419) 13.419 5.024 ( -7.843 -7.941 8.583) 14.079 5.024 ( -7.843 7.941 8.583) 14.079 5.455 ( -4.708 -13.831 12.421) 19.177 5.455 ( -4.708 13.831 12.421) 19.177 6.744 ( -0.171 -5.133 -3.062) 5.979 6.744 ( -0.171 5.133 -3.062) 5.979 7.264 ( -1.384 -8.610 -0.986) 8.776 7.264 ( -1.384 8.610 -0.986) 8.776 7.495 ( 1.131 -10.955 5.875) 12.482 7.495 ( 1.131 10.955 5.875) 12.482 8.236 ( 4.728 -20.202 -2.944) 20.956 8.236 ( 4.728 20.202 -2.944) 20.956 8.934 ( 14.532 -4.750 -5.182) 16.143 8.934 ( 14.532 4.750 -5.182) 16.143 9.944 ( -3.698 -9.465 -4.072) 10.948 9.944 ( -3.698 9.465 -4.072) 10.948 10.597 ( -2.282 -2.061 -8.469) 9.010 10.597 ( -2.282 2.061 -8.469) 9.010 11.055 ( 3.233 -8.213 -8.806) 12.468 11.055 ( 3.233 8.213 -8.806) 12.468 11.662 ( 3.374 -10.467 -2.159) 11.207 11.662 ( 3.374 10.467 -2.159) 11.207 13.036 ( -2.026 -4.196 5.979) 7.581 13.036 ( -2.026 4.196 5.979) 7.581 13.450 ( -2.649 -3.842 9.653) 10.722 13.450 ( -2.649 3.842 9.653) 10.722 15.460 ( -3.420 -8.523 -3.694) 9.899 15.460 ( -3.420 8.523 -3.694) 9.899 16.964 ( 9.000 -1.821 4.969) 10.440 16.964 ( 9.000 1.821 4.969) 10.440 18.375 ( -8.933 -4.803 -3.240) 10.647 18.375 ( -8.933 4.803 -3.240) 10.647 ======================= Grid point 243 (116/205) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -3.000 0.000 17.391) 17.648 1.953 ( 7.429 0.000 3.942) 8.410 2.334 ( 11.834 0.000 22.661) 25.565 3.011 ( -22.442 0.000 -3.456) 22.706 3.503 ( 9.687 0.000 41.877) 42.983 3.744 ( -3.379 0.000 10.206) 10.751 3.944 ( 5.833 0.000 4.623) 7.443 4.148 ( 9.899 0.000 -10.561) 14.475 4.326 ( -1.109 0.000 0.561) 1.243 4.407 ( 8.980 0.000 8.450) 12.331 4.619 ( -3.569 0.000 -9.462) 10.112 5.322 ( -3.230 0.000 12.931) 13.328 5.451 ( 2.758 0.000 3.228) 4.246 5.810 ( -6.058 0.000 -12.992) 14.335 6.490 ( -0.012 0.000 15.563) 15.563 6.516 ( -3.532 0.000 -2.141) 4.130 6.951 ( 2.447 0.000 3.212) 4.037 7.488 ( -12.316 0.000 -16.359) 20.477 7.716 ( 21.782 0.000 -17.113) 27.701 7.913 ( -14.834 0.000 -3.943) 15.349 8.029 ( 1.509 0.000 -1.077) 1.854 8.619 ( -6.032 0.000 0.372) 6.044 8.708 ( 7.073 0.000 -2.973) 7.672 9.164 ( 7.290 0.000 -26.952) 27.920 9.668 ( -3.371 0.000 -0.250) 3.381 9.787 ( -0.553 0.000 -2.598) 2.656 10.594 ( -6.187 0.000 3.470) 7.093 10.819 ( 5.441 0.000 2.892) 6.162 11.169 ( -1.250 0.000 3.539) 3.753 11.397 ( 2.496 0.000 -0.899) 2.653 11.416 ( 8.852 0.000 -2.189) 9.118 11.843 ( 6.708 0.000 -4.059) 7.840 12.698 ( -16.103 0.000 7.283) 17.674 13.142 ( 0.905 0.000 1.544) 1.790 13.462 ( 1.157 0.000 4.896) 5.031 13.503 ( -5.725 0.000 3.653) 6.791 15.019 ( -0.518 0.000 11.412) 11.424 15.618 ( -3.432 0.000 -8.628) 9.286 17.102 ( 5.366 0.000 3.695) 6.515 17.475 ( -23.433 0.000 -6.883) 24.423 18.116 ( -12.519 0.000 3.327) 12.953 18.303 ( 32.677 0.000 -2.491) 32.771 ======================= Grid point 244 (117/205) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 21.790 0.000 9.339) 23.707 2.260 ( 22.252 0.000 -1.283) 22.289 2.633 ( -12.911 0.000 -4.276) 13.601 2.816 ( 15.433 0.000 26.216) 30.422 3.727 ( -4.694 0.000 6.713) 8.192 3.814 ( -3.279 0.000 13.427) 13.822 4.027 ( 0.828 0.000 1.726) 1.914 4.141 ( -2.543 0.000 -11.948) 12.216 4.377 ( 6.829 0.000 -0.533) 6.850 4.575 ( 7.108 0.000 -6.540) 9.659 4.813 ( 14.167 0.000 29.562) 32.781 5.365 ( -4.431 0.000 15.978) 16.581 5.423 ( -4.350 0.000 -24.247) 24.634 5.625 ( -0.470 0.000 0.654) 0.805 6.416 ( -2.072 0.000 -5.407) 5.790 6.575 ( -3.353 0.000 12.366) 12.813 7.013 ( -0.378 0.000 4.867) 4.882 7.222 ( -1.672 0.000 -12.070) 12.186 7.571 ( -14.200 0.000 -2.378) 14.398 7.991 ( 18.143 0.000 -9.264) 20.372 8.018 ( -3.383 0.000 -3.830) 5.111 8.450 ( -10.756 0.000 -0.397) 10.763 8.778 ( 4.032 0.000 -1.689) 4.372 9.083 ( 7.439 0.000 -26.075) 27.115 9.680 ( 4.176 0.000 0.686) 4.232 9.879 ( 8.370 0.000 -1.497) 8.502 10.437 ( -12.853 0.000 1.944) 12.999 10.867 ( -19.109 0.000 5.593) 19.911 10.992 ( 2.681 0.000 -1.704) 3.176 11.402 ( -3.026 0.000 -5.664) 6.422 11.576 ( 10.868 0.000 -0.370) 10.874 11.866 ( 2.037 0.000 -8.106) 8.358 12.519 ( -15.348 0.000 18.042) 23.687 13.129 ( -2.842 0.000 1.028) 3.022 13.468 ( -1.852 0.000 3.469) 3.933 13.676 ( 15.765 0.000 4.352) 16.355 15.120 ( 0.228 0.000 12.974) 12.976 15.473 ( -3.792 0.000 -9.631) 10.351 17.049 ( -17.619 0.000 0.883) 17.641 17.147 ( -7.281 0.000 6.498) 9.759 17.987 ( -0.407 0.000 0.398) 0.569 18.799 ( 24.383 0.000 -10.023) 26.363 ======================= Grid point 245 (118/205) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 4.222 0.000 -1.650) 4.533 2.594 ( 14.911 0.000 -1.840) 15.024 2.620 ( 12.064 0.000 -1.202) 12.123 3.318 ( 15.100 0.000 24.994) 29.201 3.671 ( -11.893 0.000 -7.918) 14.288 3.719 ( 2.063 0.000 -1.764) 2.714 3.935 ( -7.935 0.000 -8.650) 11.738 4.050 ( -1.478 0.000 5.098) 5.308 4.520 ( 7.306 0.000 2.357) 7.676 4.600 ( -3.902 0.000 -13.127) 13.695 5.128 ( 8.125 0.000 -28.367) 29.508 5.202 ( -2.724 0.000 26.746) 26.885 5.468 ( 0.502 0.000 15.507) 15.515 5.693 ( 2.423 0.000 3.947) 4.631 6.451 ( 12.170 0.000 -1.225) 12.231 6.586 ( -4.125 0.000 9.127) 10.016 6.991 ( -5.399 0.000 2.842) 6.102 7.225 ( 11.222 0.000 -10.513) 15.378 7.392 ( -5.847 0.000 4.692) 7.497 7.875 ( -7.147 0.000 -1.676) 7.341 8.109 ( -7.255 0.000 0.203) 7.258 8.374 ( 12.438 0.000 -6.974) 14.260 8.869 ( 6.487 0.000 -1.309) 6.618 9.015 ( 7.693 0.000 -23.076) 24.325 9.792 ( -20.980 0.000 -0.870) 20.998 9.794 ( 3.435 0.000 5.365) 6.370 10.320 ( 3.951 0.000 -0.294) 3.962 10.375 ( -31.423 0.000 2.335) 31.509 11.106 ( 9.452 0.000 -8.425) 12.662 11.299 ( -0.903 0.000 -11.221) 11.258 11.762 ( 7.917 0.000 2.821) 8.404 11.845 ( 2.312 0.000 -1.698) 2.868 12.391 ( -15.947 0.000 21.043) 26.403 13.087 ( -3.272 0.000 3.675) 4.920 13.449 ( -3.706 0.000 3.396) 5.027 14.047 ( 19.155 0.000 1.996) 19.259 15.241 ( 0.666 0.000 13.515) 13.531 15.317 ( -3.707 0.000 -10.663) 11.289 16.802 ( -11.041 0.000 2.313) 11.281 16.927 ( -17.724 0.000 2.035) 17.840 18.120 ( 10.284 0.000 4.685) 11.301 19.084 ( 16.165 0.000 -10.736) 19.405 ======================= Grid point 246 (119/205) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 3.705 0.000 -2.441) 4.437 2.621 ( -8.461 0.000 -1.624) 8.616 2.912 ( 17.616 0.000 -5.420) 18.431 3.283 ( -18.774 0.000 -13.622) 23.195 3.599 ( -11.075 0.000 -7.876) 13.590 3.792 ( 8.287 0.000 4.259) 9.317 3.835 ( 6.911 0.000 3.281) 7.650 4.059 ( -1.861 0.000 4.584) 4.948 4.288 ( -3.989 0.000 -17.905) 18.344 4.687 ( 7.209 0.000 2.861) 7.756 5.265 ( 16.476 0.000 -11.761) 20.243 5.281 ( -9.640 0.000 28.907) 30.472 5.482 ( -6.429 0.000 1.893) 6.702 5.753 ( 1.926 0.000 0.787) 2.081 6.627 ( 2.405 0.000 7.598) 7.969 6.752 ( 5.851 0.000 -6.275) 8.580 6.954 ( 8.156 0.000 8.079) 11.480 7.382 ( -2.749 0.000 8.690) 9.115 7.440 ( 22.182 0.000 -15.372) 26.988 7.813 ( 0.406 0.000 8.382) 8.392 7.933 ( -7.359 0.000 -0.128) 7.360 8.603 ( 14.189 0.000 -7.444) 16.023 8.925 ( -7.315 0.000 3.061) 7.930 8.995 ( 7.516 0.000 -16.453) 18.088 9.336 ( -14.830 0.000 -4.354) 15.456 9.620 ( -34.036 0.000 7.689) 34.893 10.029 ( 1.028 0.000 1.348) 1.696 10.424 ( 5.322 0.000 -1.171) 5.449 11.126 ( -5.158 0.000 -17.131) 17.891 11.167 ( 6.193 0.000 -13.223) 14.601 11.920 ( 6.389 0.000 2.408) 6.828 11.944 ( 3.025 0.000 5.669) 6.425 12.293 ( -10.136 0.000 20.099) 22.510 13.045 ( -7.229 0.000 6.464) 9.697 13.409 ( -2.889 0.000 5.668) 6.362 14.400 ( 17.000 0.000 0.028) 17.000 15.158 ( -3.559 0.000 -10.460) 11.049 15.356 ( -1.050 0.000 13.175) 13.216 16.602 ( -14.087 0.000 -3.507) 14.517 16.637 ( -8.762 0.000 1.118) 8.833 18.376 ( 9.020 0.000 9.697) 13.244 19.258 ( 11.991 0.000 -9.790) 15.480 ======================= Grid point 247 (120/205) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 11.081 0.000 -1.432) 11.173 2.388 ( -10.552 0.000 -5.681) 11.984 2.771 ( -24.526 0.000 -7.450) 25.633 3.157 ( 15.424 0.000 -9.356) 18.039 3.222 ( -21.295 0.000 -5.767) 22.062 3.617 ( -6.536 0.000 -14.829) 16.206 4.048 ( -2.867 0.000 2.876) 4.061 4.073 ( 10.255 0.000 -8.660) 13.422 4.389 ( 10.744 0.000 12.159) 16.225 4.772 ( -0.962 0.000 0.498) 1.083 5.332 ( -6.240 0.000 -3.953) 7.387 5.403 ( 6.828 0.000 -8.862) 11.188 5.419 ( -3.548 0.000 33.727) 33.913 5.794 ( 1.537 0.000 1.567) 2.195 6.544 ( -14.656 0.000 -7.328) 16.386 6.800 ( 10.024 0.000 1.609) 10.152 7.216 ( 2.260 0.000 8.412) 8.711 7.395 ( -3.946 0.000 9.269) 10.074 7.660 ( 7.389 0.000 -9.021) 11.661 8.007 ( 21.901 0.000 -8.640) 23.544 8.104 ( 19.260 0.000 9.662) 21.548 8.583 ( -15.640 0.000 -11.525) 19.428 8.586 ( -18.666 0.000 1.403) 18.719 8.948 ( -4.804 0.000 5.825) 7.551 9.249 ( 5.689 0.000 -10.365) 11.823 9.337 ( 10.867 0.000 -3.531) 11.426 10.102 ( 0.774 0.000 6.117) 6.166 10.484 ( 2.165 0.000 -1.510) 2.640 10.851 ( -8.804 0.000 -13.988) 16.528 11.108 ( 0.051 0.000 -14.800) 14.800 11.883 ( -16.103 0.000 12.564) 20.425 12.035 ( 4.043 0.000 0.503) 4.074 12.465 ( 11.484 0.000 11.884) 16.526 12.909 ( -10.787 0.000 5.179) 11.966 13.464 ( 0.231 0.000 11.530) 11.532 14.659 ( 12.779 0.000 -10.408) 16.481 15.037 ( -2.141 0.000 0.106) 2.144 15.382 ( -7.400 0.000 10.024) 12.460 16.406 ( -2.048 0.000 -4.324) 4.785 16.473 ( -9.022 0.000 -0.651) 9.045 18.585 ( 3.009 0.000 11.801) 12.179 19.377 ( 9.261 0.000 -10.051) 13.667 ======================= Grid point 248 (121/205) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -3.440 0.000 -6.544) 7.393 2.255 ( -18.833 0.000 -6.526) 19.931 2.566 ( 10.059 0.000 10.827) 14.779 2.732 ( -26.909 0.000 -0.500) 26.914 3.348 ( 12.068 0.000 -8.485) 14.752 3.439 ( 0.109 0.000 -11.980) 11.980 3.985 ( -6.201 0.000 1.804) 6.458 4.142 ( 4.485 0.000 -6.917) 8.243 4.668 ( 8.617 0.000 7.423) 11.374 4.677 ( -8.333 0.000 0.079) 8.334 5.193 ( -4.904 0.000 -2.339) 5.433 5.412 ( 2.073 0.000 -6.706) 7.019 5.666 ( -3.694 0.000 28.574) 28.811 5.838 ( -0.031 0.000 6.367) 6.367 6.154 ( -17.721 0.000 -2.521) 17.899 6.965 ( 12.109 0.000 -13.149) 17.875 7.180 ( -10.342 0.000 6.494) 12.212 7.398 ( -4.176 0.000 10.498) 11.298 7.619 ( -16.759 0.000 -4.498) 17.353 7.902 ( -12.871 0.000 0.350) 12.876 8.207 ( -5.007 0.000 -3.147) 5.914 8.667 ( 28.140 0.000 -2.919) 28.291 8.757 ( 24.599 0.000 2.973) 24.778 9.016 ( 15.126 0.000 -11.937) 19.269 9.374 ( 11.997 0.000 -10.318) 15.824 9.560 ( 15.992 0.000 -5.599) 16.944 10.135 ( -3.054 0.000 6.822) 7.474 10.461 ( -2.781 0.000 -3.355) 4.358 10.640 ( -4.220 0.000 -1.717) 4.556 10.940 ( -4.385 0.000 -13.485) 14.181 11.642 ( -19.903 0.000 14.176) 24.436 12.046 ( -4.867 0.000 2.202) 5.343 12.805 ( -2.145 0.000 2.519) 3.308 12.806 ( 14.457 0.000 7.778) 16.417 13.572 ( -1.222 0.000 14.938) 14.987 14.602 ( -0.319 0.000 -26.607) 26.609 15.195 ( 9.058 0.000 18.387) 20.497 15.257 ( -11.210 0.000 4.935) 12.248 16.285 ( -9.562 0.000 -1.873) 9.743 16.442 ( 6.925 0.000 -1.305) 7.047 18.677 ( -3.591 0.000 11.541) 12.087 19.422 ( 5.146 0.000 -13.130) 14.103 ======================= Grid point 249 (122/205) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -13.813 0.000 15.338) 20.641 2.115 ( -5.385 0.000 -5.189) 7.478 2.277 ( -19.451 0.000 9.407) 21.606 2.853 ( 7.112 0.000 11.352) 13.395 3.406 ( -0.651 0.000 -5.891) 5.927 3.410 ( 4.500 0.000 -6.537) 7.936 3.872 ( -5.257 0.000 2.065) 5.648 4.138 ( 0.640 0.000 -4.634) 4.678 4.486 ( -10.721 0.000 -1.956) 10.898 4.825 ( 5.274 0.000 -1.103) 5.388 5.110 ( -3.946 0.000 -0.077) 3.947 5.378 ( -0.798 0.000 -3.870) 3.952 5.434 ( -27.567 0.000 7.082) 28.463 5.923 ( 1.252 0.000 12.316) 12.380 6.177 ( 7.440 0.000 14.736) 16.508 6.943 ( -19.223 0.000 -15.048) 24.413 7.022 ( -7.969 0.000 0.571) 7.989 7.124 ( 1.334 0.000 -9.046) 9.144 7.439 ( -0.736 0.000 12.242) 12.264 7.965 ( 6.896 0.000 2.166) 7.228 8.147 ( 1.556 0.000 -4.084) 4.370 8.877 ( 2.743 0.000 -7.874) 8.338 9.076 ( 5.830 0.000 -4.565) 7.405 9.451 ( 9.083 0.000 -16.072) 18.461 9.496 ( 35.580 0.000 -10.868) 37.202 9.825 ( 17.630 0.000 -7.054) 18.989 10.124 ( -2.171 0.000 6.439) 6.795 10.452 ( 6.206 0.000 -0.262) 6.212 10.621 ( -0.738 0.000 3.947) 4.016 10.760 ( -4.295 0.000 -7.565) 8.699 11.425 ( -15.225 0.000 17.547) 23.231 11.904 ( -11.708 0.000 4.163) 12.426 12.865 ( 5.575 0.000 0.963) 5.657 13.099 ( 10.198 0.000 4.592) 11.184 13.651 ( -4.109 0.000 15.221) 15.766 14.281 ( -9.129 0.000 -27.153) 28.646 15.088 ( -9.381 0.000 3.007) 9.851 15.628 ( 18.753 0.000 20.835) 28.032 16.104 ( -7.369 0.000 0.217) 7.373 16.596 ( 9.145 0.000 0.159) 9.146 18.649 ( -8.884 0.000 10.251) 13.565 19.315 ( -3.332 0.000 -19.213) 19.500 ======================= Grid point 250 (123/205) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -15.353 0.000 12.995) 20.114 1.955 ( -11.950 0.000 26.686) 29.239 2.192 ( -5.026 0.000 4.704) 6.884 2.819 ( -21.131 0.000 22.064) 30.550 3.452 ( 11.260 0.000 1.285) 11.333 3.488 ( 6.995 0.000 -0.622) 7.022 3.818 ( -6.050 0.000 1.756) 6.299 4.103 ( -0.221 0.000 -3.828) 3.835 4.265 ( -8.081 0.000 -4.222) 9.117 4.837 ( -20.879 0.000 -4.532) 21.365 4.850 ( 1.060 0.000 -6.694) 6.777 5.215 ( -3.468 0.000 9.410) 10.029 5.345 ( 0.231 0.000 -0.898) 0.928 6.081 ( 2.696 0.000 13.738) 14.000 6.420 ( 5.220 0.000 11.228) 12.382 6.421 ( -21.076 0.000 -2.786) 21.260 6.917 ( -2.526 0.000 -1.819) 3.113 7.238 ( 17.006 0.000 -17.443) 24.361 7.598 ( 5.703 0.000 13.955) 15.076 8.059 ( 3.384 0.000 -8.258) 8.925 8.185 ( 5.230 0.000 -2.556) 5.822 8.784 ( -2.888 0.000 -9.924) 10.336 8.928 ( -8.892 0.000 -15.359) 17.747 9.388 ( 3.906 0.000 -22.025) 22.369 9.858 ( 1.463 0.000 1.332) 1.979 10.034 ( 0.922 0.000 5.696) 5.770 10.352 ( 27.472 0.000 -4.396) 27.822 10.643 ( -1.081 0.000 4.563) 4.690 10.664 ( 19.469 0.000 -6.460) 20.512 10.681 ( -0.800 0.000 1.160) 1.409 11.442 ( 0.956 0.000 18.750) 18.775 11.713 ( -11.831 0.000 4.083) 12.516 12.985 ( 5.435 0.000 1.296) 5.588 13.220 ( -1.320 0.000 0.339) 1.363 13.664 ( -6.832 0.000 12.180) 13.965 13.844 ( -13.762 0.000 -20.378) 24.590 14.976 ( -5.597 0.000 4.677) 7.294 15.869 ( -2.433 0.000 -6.574) 7.010 16.424 ( 32.315 0.000 26.046) 41.505 16.772 ( 9.136 0.000 0.342) 9.143 18.525 ( -12.460 0.000 8.726) 15.212 18.937 ( -18.001 0.000 -23.794) 29.836 ======================= Grid point 251 (124/205) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -30.728 0.000 17.696) 35.459 1.841 ( -3.379 0.000 19.039) 19.336 2.121 ( -4.013 0.000 7.162) 8.210 2.944 ( 4.074 0.000 46.481) 46.659 3.482 ( -19.936 0.000 -4.401) 20.416 3.646 ( 5.949 0.000 6.024) 8.466 3.754 ( 7.755 0.000 6.607) 10.188 4.083 ( 3.319 0.000 -6.306) 7.126 4.211 ( 4.240 0.000 0.141) 4.243 4.487 ( -12.055 0.000 -1.536) 12.153 4.767 ( -2.488 0.000 -9.233) 9.562 5.265 ( -1.631 0.000 11.102) 11.221 5.377 ( 2.315 0.000 1.918) 3.007 6.027 ( -9.760 0.000 -5.947) 11.429 6.329 ( 1.405 0.000 17.175) 17.232 6.541 ( 0.322 0.000 4.759) 4.770 6.897 ( 1.491 0.000 -0.611) 1.611 7.448 ( 19.314 0.000 -14.757) 24.306 7.837 ( 7.204 0.000 10.261) 12.538 7.884 ( -8.018 0.000 -21.887) 23.309 8.234 ( -3.271 0.000 -3.064) 4.481 8.651 ( -1.349 0.000 -12.460) 12.532 8.684 ( -1.259 0.000 -3.450) 3.672 9.269 ( 4.875 0.000 -25.107) 25.576 9.780 ( -7.779 0.000 1.907) 8.009 9.933 ( -9.672 0.000 -1.953) 9.867 10.641 ( -3.002 0.000 4.608) 5.500 10.703 ( 5.830 0.000 0.148) 5.832 10.876 ( 22.847 0.000 -0.213) 22.848 11.083 ( 23.200 0.000 2.290) 23.313 11.530 ( -11.212 0.000 3.689) 11.804 11.674 ( 9.267 0.000 6.960) 11.589 13.013 ( -16.513 0.000 -3.965) 16.983 13.082 ( 3.458 0.000 1.916) 3.953 13.533 ( -8.248 0.000 -3.089) 8.807 13.600 ( -8.164 0.000 6.970) 10.735 14.959 ( -2.227 0.000 8.347) 8.639 15.748 ( -3.244 0.000 -7.687) 8.344 16.944 ( 8.528 0.000 1.002) 8.587 17.336 ( 41.654 0.000 10.151) 42.873 18.294 ( -27.858 0.000 -15.779) 32.016 18.335 ( -14.312 0.000 6.736) 15.818 ======================= Grid point 252 (125/205) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -1.513 6.459 15.753) 17.092 1.996 ( 5.331 2.901 12.702) 14.077 2.142 ( 7.071 -10.429 14.916) 19.525 2.992 ( -14.834 -4.346 -3.722) 15.899 3.688 ( 5.444 4.818 16.668) 18.185 3.815 ( 6.581 13.839 19.886) 25.105 3.952 ( 2.103 -2.048 -0.287) 2.949 4.055 ( 3.755 -3.366 -2.896) 5.815 4.227 ( -0.202 -5.745 -3.271) 6.614 4.505 ( 7.820 7.646 7.685) 13.367 4.773 ( -1.105 11.925 -0.749) 11.999 5.310 ( -1.416 -1.764 10.430) 10.672 5.455 ( 0.261 0.270 6.380) 6.391 5.828 ( -5.296 2.257 -11.642) 12.988 6.321 ( -2.135 -6.257 7.904) 10.305 6.719 ( -3.256 10.135 5.382) 11.928 6.933 ( 0.779 -1.530 1.899) 2.561 7.427 ( 7.324 -15.700 -18.672) 25.471 7.579 ( -2.247 4.460 -2.249) 5.477 7.920 ( -17.803 -0.787 -8.539) 19.761 8.256 ( 11.211 14.768 -5.669) 19.389 8.417 ( 4.651 -9.506 3.180) 11.050 8.854 ( -3.824 1.766 -9.467) 10.362 9.152 ( 8.209 1.102 -21.134) 22.699 9.635 ( 0.882 -2.378 -0.629) 2.614 9.795 ( -4.893 0.222 -4.271) 6.499 10.609 ( -3.932 -1.827 3.181) 5.377 10.680 ( 1.672 -11.405 5.719) 12.867 11.101 ( -8.340 -5.417 3.167) 10.437 11.237 ( 14.903 -8.276 -1.286) 17.095 11.450 ( 7.867 -2.245 -4.964) 9.569 11.809 ( -0.073 -0.787 -6.932) 6.977 12.810 ( -17.898 9.309 10.394) 22.695 13.254 ( 10.169 7.154 2.213) 12.628 13.416 ( -2.786 -2.496 6.090) 7.147 13.569 ( -4.005 5.383 0.439) 6.724 15.025 ( -0.483 1.024 10.317) 10.379 15.580 ( -4.027 -3.549 -8.245) 9.839 17.103 ( 5.152 0.096 3.464) 6.209 17.397 ( -19.886 -6.512 -3.579) 21.229 18.124 ( -7.272 0.669 2.262) 7.645 18.331 ( 23.382 1.876 -3.779) 23.760 ======================= Grid point 253 (126/205) ======================= q-point: ( 0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 19.610 3.903 8.032) 21.547 2.303 ( 21.384 4.207 -0.626) 21.803 2.418 ( 0.836 -12.975 14.483) 19.463 2.867 ( 6.773 -0.566 5.417) 8.691 3.761 ( -3.986 2.089 8.668) 9.767 3.896 ( -4.852 1.223 -3.143) 5.909 3.996 ( -2.581 -2.758 -1.012) 3.911 4.105 ( 6.316 1.719 -0.165) 6.548 4.379 ( 7.999 -0.535 0.840) 8.061 4.554 ( 3.735 1.747 -5.401) 6.796 5.005 ( 8.823 15.577 26.097) 31.647 5.369 ( -0.991 -0.131 11.010) 11.055 5.516 ( -0.645 6.027 -4.831) 7.752 5.594 ( -3.640 -0.578 -9.500) 10.190 6.311 ( -3.012 -5.439 3.570) 7.169 6.665 ( -6.286 4.845 4.352) 9.051 6.969 ( 1.218 -1.886 1.005) 2.460 7.266 ( -2.501 -1.687 -11.268) 11.664 7.545 ( -12.323 -5.134 -4.641) 14.133 7.713 ( 4.858 -1.474 2.506) 5.662 8.366 ( 5.205 13.629 -4.620) 15.304 8.409 ( -5.633 -2.451 -1.537) 6.333 8.742 ( 2.206 -4.745 -8.364) 9.866 9.117 ( 7.353 3.803 -21.586) 23.119 9.666 ( 2.897 -1.284 0.026) 3.169 9.849 ( 9.114 -2.829 -1.233) 9.623 10.482 ( -10.725 3.621 0.938) 11.359 10.684 ( -12.828 -15.434 6.288) 21.031 10.997 ( 1.956 0.167 -2.973) 3.563 11.384 ( -6.773 -2.033 -2.907) 7.646 11.416 ( 4.307 -16.677 -1.819) 17.320 11.801 ( 6.101 -1.481 -7.083) 9.465 12.583 ( -17.405 5.552 14.598) 23.385 13.277 ( -5.057 9.663 3.497) 11.453 13.559 ( 1.641 8.727 2.102) 9.126 13.662 ( 18.012 -0.650 3.061) 18.281 15.120 ( 0.202 0.100 12.430) 12.432 15.427 ( -4.393 -4.085 -8.936) 10.763 17.014 ( -17.243 -2.696 1.705) 17.535 17.146 ( -6.780 -0.443 5.836) 8.956 18.016 ( -0.157 2.715 -0.152) 2.724 18.760 ( 22.918 -3.779 -9.079) 24.938 ======================= Grid point 254 (127/205) ======================= q-point: ( 0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 6.609 2.973 -0.730) 7.283 2.485 ( 12.608 -3.442 -1.603) 13.167 2.738 ( 16.809 4.789 -1.032) 17.509 3.219 ( 13.587 -8.208 19.941) 25.487 3.676 ( -10.240 -1.292 -10.596) 14.792 3.756 ( -0.589 4.618 1.155) 4.797 3.918 ( -5.151 -0.063 -2.011) 5.530 4.168 ( 0.126 8.269 0.337) 8.277 4.415 ( 0.580 -5.416 -6.736) 8.663 4.625 ( 4.684 0.189 -5.915) 7.548 5.241 ( 1.560 9.430 -3.034) 10.028 5.293 ( -1.237 7.708 2.251) 8.125 5.563 ( 3.580 8.461 12.825) 15.776 5.658 ( 2.613 -2.927 5.683) 6.906 6.357 ( 7.331 -6.293 5.921) 11.331 6.584 ( -4.399 -1.665 3.396) 5.801 6.978 ( 0.475 -0.446 -3.981) 4.034 7.190 ( 1.860 -3.445 -4.753) 6.158 7.377 ( -4.586 -7.169 3.409) 9.168 7.760 ( -1.894 4.595 3.280) 5.955 8.206 ( -10.803 -0.320 -0.433) 10.817 8.506 ( 12.749 10.682 -3.960) 17.098 8.778 ( 7.189 -7.272 -8.681) 13.414 9.081 ( 6.791 5.680 -18.753) 20.738 9.688 ( -7.281 -5.055 1.703) 9.026 9.890 ( -7.236 3.289 2.711) 8.398 10.275 ( -18.539 -5.019 0.005) 19.207 10.398 ( -4.807 4.105 1.072) 6.412 11.068 ( 6.080 -4.964 -11.570) 13.981 11.193 ( -4.051 -7.924 -5.797) 10.621 11.515 ( 5.712 -17.832 2.191) 18.852 11.889 ( 4.772 -2.232 2.728) 5.932 12.404 ( -14.011 5.184 13.180) 19.923 13.230 ( -3.367 9.746 5.446) 11.661 13.576 ( -2.949 11.255 3.158) 12.056 14.043 ( 19.523 -0.220 0.152) 19.525 15.216 ( -2.308 -2.908 5.863) 6.940 15.291 ( -0.984 -1.548 -1.764) 2.545 16.768 ( -11.838 -2.550 3.239) 12.535 16.940 ( -16.560 0.579 1.581) 16.645 18.141 ( 10.098 2.163 3.745) 10.985 19.038 ( 15.786 -4.437 -9.785) 19.095 ======================= Grid point 255 (128/205) ======================= q-point: ( 0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 6.375 7.940 -2.911) 10.590 2.625 ( -3.066 0.663 -0.748) 3.224 2.941 ( 13.016 2.295 -6.930) 14.924 3.303 ( -18.189 2.082 -12.608) 22.229 3.532 ( -2.846 -8.265 4.325) 9.753 3.799 ( 6.323 2.726 0.659) 6.917 3.823 ( -0.816 0.291 -3.194) 3.310 4.148 ( -1.643 6.983 -1.419) 7.313 4.250 ( -1.611 -1.845 -9.252) 9.571 4.715 ( 6.123 1.492 0.869) 6.361 5.317 ( 5.824 5.937 -1.025) 8.379 5.357 ( 1.898 5.211 9.173) 10.719 5.561 ( -7.612 7.256 1.439) 10.614 5.750 ( 1.758 0.829 6.051) 6.355 6.567 ( 1.437 -5.732 10.574) 12.113 6.646 ( 8.673 -10.019 -9.746) 16.449 6.994 ( 6.494 4.081 6.287) 9.918 7.275 ( 10.806 -4.955 -3.738) 12.462 7.408 ( 3.235 -10.718 8.689) 14.172 7.781 ( 4.794 6.981 -0.009) 8.469 8.027 ( -6.894 2.821 -0.950) 7.509 8.728 ( 8.426 6.176 -3.443) 11.000 8.845 ( 9.925 -5.167 -7.637) 13.548 8.988 ( -10.961 2.304 -6.878) 13.144 9.379 ( -12.824 -0.178 -3.595) 13.319 9.614 ( -27.590 1.891 3.596) 27.888 10.038 ( 0.138 1.040 1.248) 1.630 10.466 ( 5.059 3.874 -1.095) 6.465 10.907 ( -5.580 -14.652 -14.648) 21.457 11.210 ( 5.373 -0.588 -8.535) 10.103 11.651 ( 4.538 -18.298 3.330) 19.144 12.054 ( 7.669 -4.832 11.556) 14.687 12.260 ( -10.498 8.374 6.819) 15.061 13.231 ( -4.180 12.833 8.450) 15.924 13.505 ( -6.368 8.926 4.035) 11.683 14.370 ( 15.870 -3.222 -3.343) 16.535 15.104 ( -4.225 -3.328 -4.933) 7.298 15.390 ( 1.538 1.780 10.921) 11.172 16.587 ( -11.440 -1.944 2.429) 11.855 16.636 ( -11.865 0.631 -3.782) 12.470 18.388 ( 9.147 1.270 8.564) 12.594 19.215 ( 11.725 -4.270 -9.068) 15.425 ======================= Grid point 256 (129/205) ======================= q-point: (-0.56 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 11.424 9.756 -1.842) 15.135 2.434 ( -11.310 4.142 -4.033) 12.702 2.802 ( -23.771 2.969 -8.061) 25.276 3.142 ( 13.749 -0.327 -8.662) 16.254 3.275 ( -18.115 3.446 -3.790) 18.825 3.587 ( -7.062 -2.870 -15.767) 17.513 4.004 ( 5.886 -1.485 -1.531) 6.261 4.144 ( 2.978 5.348 -2.871) 6.761 4.366 ( 8.122 -1.154 11.280) 13.948 4.796 ( 0.879 1.313 1.062) 1.904 5.356 ( -1.532 2.540 -1.847) 3.494 5.407 ( -4.176 2.747 -2.351) 5.523 5.490 ( 1.378 2.970 10.721) 11.209 5.846 ( 0.768 6.557 12.550) 14.180 6.510 ( -8.588 -4.064 -12.414) 15.633 6.702 ( 3.438 -8.332 6.751) 11.261 7.199 ( 2.696 -0.897 9.212) 9.640 7.440 ( 4.835 5.240 6.338) 9.539 7.694 ( 14.486 -1.595 -4.403) 15.224 7.936 ( 9.411 -8.873 -6.241) 14.361 8.041 ( 14.393 1.536 4.845) 15.264 8.568 ( -17.640 -1.264 -5.661) 18.569 8.589 ( -18.995 -0.896 0.808) 19.033 9.037 ( 5.910 6.606 -1.450) 8.981 9.148 ( 0.477 -8.493 -8.451) 11.991 9.424 ( 7.121 5.729 -7.045) 11.540 10.095 ( 1.100 -0.039 5.596) 5.703 10.517 ( 1.553 2.292 -2.313) 3.607 10.700 ( -5.124 -8.745 -7.026) 12.333 11.176 ( -0.357 0.867 -10.569) 10.611 11.684 ( -7.490 -14.316 7.860) 17.967 12.126 ( -1.562 9.330 -5.231) 10.810 12.382 ( 11.339 -6.717 16.961) 21.480 13.139 ( -11.160 17.641 5.309) 21.540 13.488 ( -1.184 1.458 9.478) 9.662 14.533 ( 7.142 -11.346 -13.532) 19.049 15.058 ( 0.616 3.330 6.395) 7.236 15.465 ( -2.572 5.739 7.067) 9.460 16.406 ( -5.327 -0.549 -1.030) 5.454 16.452 ( -6.863 -1.268 -2.702) 7.484 18.592 ( 3.312 0.761 10.726) 11.252 19.331 ( 8.660 -4.456 -9.438) 13.561 ======================= Grid point 257 (130/205) ======================= q-point: (-0.44 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -9.382 1.874 -6.631) 11.640 2.350 ( -15.816 6.953 -0.658) 17.289 2.589 ( -0.678 3.018 4.622) 5.562 2.887 ( -12.963 11.936 0.272) 17.623 3.327 ( 10.367 -1.058 -6.088) 12.069 3.395 ( 0.387 -3.371 -12.915) 13.354 4.008 ( -3.149 2.697 0.217) 4.152 4.178 ( 3.185 2.685 -6.236) 7.500 4.555 ( 0.372 -4.251 6.930) 8.138 4.795 ( 0.297 4.977 1.277) 5.147 5.234 ( -4.985 3.765 -3.592) 7.207 5.393 ( 2.319 -1.118 -4.383) 5.083 5.562 ( -6.447 -5.886 12.479) 15.230 6.015 ( 1.762 13.332 21.087) 25.011 6.191 ( -13.386 2.933 -7.239) 15.498 6.776 ( 2.387 -14.066 -0.710) 14.285 7.214 ( -7.444 3.160 5.358) 9.700 7.548 ( -1.647 9.938 3.021) 10.517 7.617 ( -16.431 -0.638 -8.498) 18.509 7.877 ( -5.424 -2.189 0.728) 5.895 8.091 ( -7.591 -8.460 2.004) 11.541 8.656 ( 28.334 -1.764 -4.499) 28.743 8.689 ( 18.479 -3.573 2.734) 19.019 9.067 ( 13.336 -0.369 -12.127) 18.029 9.284 ( 11.918 -8.504 -8.786) 17.075 9.515 ( 11.558 -4.039 -11.741) 16.964 10.151 ( -1.972 1.193 7.573) 7.916 10.489 ( -0.852 2.329 -1.450) 2.873 10.642 ( -0.510 2.525 3.643) 4.462 11.038 ( -3.624 5.042 -12.387) 13.856 11.497 ( -18.224 -6.794 10.569) 22.136 12.118 ( 2.827 3.222 -4.038) 5.889 12.655 ( -0.057 -2.965 12.586) 12.931 13.051 ( 3.464 11.548 3.642) 12.595 13.563 ( -1.832 -1.036 12.723) 12.896 14.418 ( -2.724 -14.694 -19.933) 24.913 15.197 ( -0.063 3.535 12.787) 13.267 15.450 ( 1.646 12.102 3.525) 12.712 16.261 ( -9.320 -1.983 -0.176) 9.530 16.443 ( 6.557 0.073 -1.278) 6.681 18.681 ( -3.353 0.422 10.554) 11.082 19.367 ( 4.054 -5.342 -12.239) 13.956 ======================= Grid point 258 (131/205) ======================= q-point: (-0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -12.475 2.316 6.803) 14.397 2.226 ( -3.467 6.538 5.174) 9.030 2.310 ( -21.225 5.652 9.021) 23.745 2.945 ( 2.685 6.123 5.625) 8.738 3.354 ( 4.219 -5.224 -4.334) 7.993 3.444 ( 6.349 5.595 -5.395) 10.036 3.935 ( -4.325 5.921 2.236) 7.666 4.137 ( -2.376 -0.539 -5.198) 5.741 4.487 ( -7.466 0.176 -1.306) 7.581 4.841 ( 1.862 1.843 -1.972) 3.279 5.103 ( -8.808 -1.283 -1.012) 8.958 5.359 ( -11.629 1.312 6.664) 13.467 5.425 ( -6.491 -1.500 1.423) 6.813 5.970 ( -2.432 3.883 2.460) 5.200 6.303 ( 6.240 11.078 18.100) 22.119 6.766 ( -4.681 -15.008 -8.477) 17.861 7.020 ( -13.837 -0.026 3.014) 14.161 7.152 ( -11.949 6.245 -2.780) 13.766 7.561 ( 2.776 3.654 -0.691) 4.641 7.975 ( 8.886 2.399 -0.059) 9.205 8.055 ( 1.486 -7.342 -0.911) 7.546 8.749 ( -3.839 -9.278 -10.483) 14.516 9.052 ( 13.814 -2.425 -4.689) 14.788 9.306 ( 5.731 -14.393 -14.416) 21.162 9.542 ( 33.443 2.218 -7.159) 34.273 9.784 ( 19.320 -6.001 -2.453) 20.379 10.151 ( 2.189 2.825 2.911) 4.609 10.489 ( 1.334 2.939 -2.655) 4.180 10.687 ( -1.060 6.324 7.358) 9.760 10.845 ( -5.904 7.628 -11.834) 15.267 11.287 ( -12.235 -7.048 13.865) 19.789 12.076 ( -7.892 11.516 3.780) 14.464 12.691 ( 3.208 -9.658 1.309) 10.261 13.266 ( 8.907 8.439 6.424) 13.849 13.612 ( -4.805 -3.142 13.291) 14.478 14.139 ( -8.669 -11.664 -19.325) 24.180 15.137 ( -8.382 4.679 2.211) 9.851 15.731 ( 15.913 7.291 10.760) 20.547 16.115 ( -4.548 2.048 4.140) 6.482 16.598 ( 9.283 0.150 0.472) 9.297 18.646 ( -8.895 -0.186 9.133) 12.750 19.248 ( -4.438 -6.253 -17.213) 18.844 ======================= Grid point 259 (132/205) ======================= q-point: (-0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -17.963 -3.042 16.836) 24.807 2.137 ( -16.523 12.325 15.035) 25.514 2.208 ( -3.689 2.806 8.190) 9.410 2.937 ( -6.711 7.852 16.504) 19.470 3.360 ( -1.813 -5.205 0.625) 5.547 3.633 ( 14.621 11.312 1.768) 18.571 3.910 ( -3.280 7.553 2.501) 8.606 4.011 ( -4.570 -6.259 -5.553) 9.534 4.321 ( -6.774 3.793 -2.329) 8.106 4.660 ( -16.672 -7.699 -4.004) 18.795 4.963 ( -2.609 2.923 -2.072) 4.432 5.230 ( -5.464 0.938 7.165) 9.059 5.397 ( 0.122 4.908 0.311) 4.919 6.035 ( 2.217 -3.256 6.866) 7.916 6.383 ( -15.112 -1.539 -1.064) 15.227 6.564 ( 1.474 9.633 11.189) 14.838 6.962 ( -2.865 1.920 1.946) 3.960 7.089 ( 9.824 -5.867 -8.820) 14.447 7.705 ( 10.320 2.447 5.189) 11.807 8.064 ( 2.661 -5.814 -11.000) 12.723 8.120 ( 7.401 0.354 -3.158) 8.055 8.529 ( -8.526 -9.772 -8.901) 15.729 9.119 ( 1.563 5.452 -9.965) 11.467 9.257 ( 3.984 -12.448 -18.192) 22.400 9.754 ( -4.651 -5.531 0.257) 7.231 10.196 ( 13.917 8.373 3.446) 16.604 10.367 ( 15.217 0.564 -4.223) 15.803 10.584 ( 11.257 -5.136 -0.065) 12.373 10.661 ( 0.848 -0.541 -6.011) 6.095 10.710 ( 2.207 5.853 3.467) 7.152 11.274 ( -1.687 -7.930 8.470) 11.725 11.939 ( -9.390 13.473 6.842) 17.791 12.825 ( 9.372 -10.254 0.024) 13.892 13.356 ( -5.375 7.618 1.061) 9.383 13.593 ( -8.463 -4.616 11.016) 14.638 13.830 ( -7.713 -2.462 -10.788) 13.489 15.015 ( -5.724 4.149 2.489) 7.494 15.838 ( -2.742 -3.031 -6.117) 7.356 16.504 ( 29.488 6.739 20.975) 36.809 16.783 ( 9.789 0.995 0.805) 9.872 18.504 ( -13.192 -1.783 6.331) 14.741 18.891 ( -16.686 -4.255 -19.374) 25.921 ======================= Grid point 260 (133/205) ======================= q-point: (-0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -17.364 -6.129 21.453) 28.272 1.851 ( -15.200 6.809 18.381) 24.805 2.135 ( -8.199 4.408 2.772) 9.713 3.198 ( 6.935 13.183 32.263) 35.536 3.308 ( -7.169 -6.469 5.474) 11.100 3.730 ( -2.800 1.060 -7.956) 8.501 3.895 ( 5.842 9.640 5.930) 12.737 3.999 ( 1.182 0.840 1.340) 1.974 4.283 ( 4.180 3.944 2.436) 6.242 4.371 ( -9.232 -7.343 -2.246) 12.008 4.875 ( -3.418 6.869 -5.823) 9.632 5.246 ( -0.851 -2.102 8.630) 8.923 5.416 ( -0.361 3.679 4.097) 5.518 6.007 ( -6.907 -2.159 -4.533) 8.539 6.259 ( -1.028 -2.438 10.275) 10.611 6.683 ( 0.686 9.399 8.722) 12.841 6.927 ( -0.740 2.720 -0.696) 2.903 7.263 ( 14.944 -11.776 -9.133) 21.104 7.831 ( -8.184 -3.546 -10.030) 13.422 8.037 ( 14.341 6.636 -4.595) 16.456 8.250 ( 6.920 -0.569 -1.060) 7.024 8.293 ( -10.000 -8.185 -7.325) 14.854 9.000 ( -3.308 9.491 -10.109) 14.255 9.181 ( 6.665 -6.756 -21.315) 23.332 9.669 ( -3.952 -6.264 0.634) 7.433 10.042 ( -14.031 5.946 -4.074) 15.774 10.574 ( -0.625 -11.199 4.963) 12.265 10.674 ( -2.152 2.367 2.979) 4.371 10.856 ( 26.453 -4.689 -1.821) 26.927 11.070 ( 14.842 2.956 4.676) 15.840 11.298 ( 4.364 -12.472 -4.364) 13.915 11.862 ( -3.928 7.836 3.202) 9.332 13.019 ( 9.136 -3.057 1.753) 9.792 13.108 ( -15.976 6.766 0.463) 17.355 13.495 ( -9.123 -1.757 7.446) 11.906 13.679 ( -5.817 4.242 -1.243) 7.306 14.978 ( -2.309 2.439 6.522) 7.336 15.716 ( -3.601 -3.070 -7.312) 8.710 16.947 ( 8.812 0.296 1.159) 8.892 17.305 ( 32.823 -2.992 9.214) 34.222 18.206 ( -18.646 -3.393 -5.615) 19.766 18.428 ( -16.646 3.817 -2.778) 17.303 ======================= Grid point 261 (134/205) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 3.558 8.839 14.368) 17.241 1.980 ( 1.950 2.535 15.054) 15.390 2.198 ( 0.853 10.072 -0.426) 10.117 2.849 ( -7.123 -8.855 -2.664) 11.673 3.551 ( 7.826 -14.537 -7.003) 17.934 3.854 ( -3.890 -7.740 2.600) 9.044 3.982 ( 4.406 3.406 3.069) 6.359 4.189 ( 5.228 3.616 2.135) 6.706 4.240 ( 1.062 12.785 2.941) 13.161 4.649 ( 3.549 4.696 1.597) 6.099 5.056 ( 4.607 13.998 13.319) 19.864 5.268 ( -1.541 1.302 13.753) 13.900 5.431 ( -3.526 -3.593 5.372) 7.362 5.910 ( -2.377 5.162 -3.293) 6.568 6.270 ( -3.330 1.317 5.401) 6.480 6.913 ( -5.868 8.550 6.240) 12.102 6.925 ( 0.843 2.057 -0.328) 2.247 7.115 ( 2.975 -12.405 -8.512) 15.336 7.680 ( 4.561 2.876 -0.072) 5.393 7.922 ( -15.197 0.328 -6.310) 16.459 8.263 ( 5.726 -2.884 4.501) 7.833 8.549 ( 10.689 11.632 -10.649) 19.052 8.711 ( -2.835 -12.891 -13.339) 18.766 9.207 ( 5.162 1.079 -12.399) 13.474 9.586 ( 4.641 -2.449 -2.374) 5.759 9.785 ( -8.747 -1.692 -6.086) 10.789 10.298 ( -2.054 -15.411 5.837) 16.607 10.699 ( -2.687 3.798 -1.988) 5.059 10.889 ( 6.640 -18.878 -3.426) 20.303 11.053 ( 0.352 -5.272 -6.419) 8.314 11.495 ( 6.650 6.789 1.104) 9.567 11.835 ( -2.291 2.223 -4.413) 5.447 12.974 ( -20.059 5.876 11.090) 23.661 13.269 ( 11.648 -4.437 3.662) 12.991 13.458 ( 0.072 5.575 4.830) 7.376 13.683 ( 1.818 4.508 -0.963) 4.956 15.078 ( -1.374 4.340 7.109) 8.442 15.492 ( -4.997 -4.704 -6.757) 9.630 17.105 ( 4.031 0.082 3.059) 5.061 17.265 ( -14.060 -5.891 0.269) 15.246 18.141 ( -2.102 1.138 0.772) 2.512 18.345 ( 12.234 -0.788 -4.686) 13.125 ======================= Grid point 262 (135/205) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 15.289 7.108 4.372) 17.418 2.245 ( 8.234 -3.073 14.778) 17.194 2.424 ( 19.496 7.390 2.081) 20.953 2.793 ( 6.767 -5.582 -3.286) 9.367 3.629 ( 0.948 -14.240 0.984) 14.305 3.832 ( 5.578 -6.155 -8.145) 11.633 3.989 ( -0.976 3.834 -0.146) 3.959 4.247 ( 1.110 7.169 -0.085) 7.255 4.393 ( 5.099 2.919 2.922) 6.562 4.621 ( 0.507 2.831 -7.404) 7.943 5.319 ( -0.313 -3.721 9.047) 9.788 5.333 ( 4.438 9.682 15.419) 18.740 5.505 ( 2.479 2.887 14.515) 15.006 5.775 ( -4.674 12.983 -9.702) 16.868 6.261 ( -3.664 -0.202 8.362) 9.131 6.746 ( -10.883 3.716 0.581) 11.515 6.982 ( 3.542 0.643 -12.023) 12.551 7.073 ( -3.725 -7.472 8.474) 11.896 7.554 ( -14.163 4.291 -6.661) 16.229 7.831 ( 7.838 7.710 3.984) 11.694 8.303 ( -7.974 -5.777 4.643) 10.887 8.567 ( 0.176 -3.424 -8.128) 8.821 8.617 ( 6.598 1.746 -12.321) 14.085 9.201 ( 8.319 2.535 -16.192) 18.380 9.627 ( -0.377 -2.828 -1.077) 3.049 9.773 ( 9.753 -4.550 -2.155) 10.976 10.322 ( -3.055 -14.687 5.512) 15.982 10.604 ( -4.604 4.905 -3.234) 7.465 10.921 ( 0.999 -15.900 -4.039) 16.436 11.041 ( 4.305 -8.844 -5.930) 11.485 11.384 ( -15.044 2.612 -0.346) 15.273 11.811 ( -0.511 0.390 -0.831) 1.051 12.717 ( -14.054 7.657 8.882) 18.304 13.350 ( -2.813 -2.539 5.171) 6.411 13.692 ( 16.541 3.488 1.970) 17.019 13.768 ( 6.675 9.735 0.123) 11.804 15.130 ( -1.146 1.027 10.201) 10.316 15.338 ( -5.170 -4.065 -6.239) 9.066 16.968 ( -15.894 -1.490 2.441) 16.150 17.122 ( -6.833 -1.982 4.843) 8.606 18.089 ( 1.613 4.449 -1.088) 4.856 18.653 ( 19.353 -6.708 -6.995) 21.644 ======================= Grid point 263 (136/205) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 9.689 3.602 1.584) 10.458 2.496 ( 15.292 4.471 -2.968) 16.206 2.787 ( 14.183 -0.157 0.113) 14.184 3.045 ( 13.510 -8.350 9.978) 18.756 3.617 ( -1.600 -3.342 -5.866) 6.939 3.852 ( 0.076 1.571 0.983) 1.855 3.952 ( -3.568 5.385 -1.630) 6.662 4.298 ( 4.431 3.632 -3.468) 6.697 4.368 ( -3.260 0.729 -6.665) 7.455 4.642 ( 7.157 1.358 -6.617) 9.841 5.332 ( -3.934 -0.851 10.385) 11.138 5.510 ( 0.016 8.373 -8.455) 11.899 5.587 ( 9.828 0.573 4.199) 10.703 5.783 ( 2.180 11.264 9.608) 14.965 6.287 ( -1.351 -0.509 12.099) 12.185 6.534 ( -9.295 -1.656 -2.029) 9.657 6.893 ( 2.155 -10.361 -12.036) 16.027 7.119 ( -3.549 4.294 12.492) 13.678 7.350 ( -3.781 4.073 -0.492) 5.579 7.925 ( -3.725 4.109 0.824) 5.606 8.158 ( -3.942 -1.166 1.440) 4.356 8.611 ( 5.330 -1.653 3.306) 6.486 8.634 ( 6.480 -5.419 -12.174) 14.818 9.217 ( 8.084 5.358 -18.681) 21.049 9.591 ( -6.531 -3.548 1.755) 7.637 9.881 ( -1.092 -3.990 -0.738) 4.202 10.210 ( -11.417 -0.243 1.884) 11.574 10.526 ( -0.218 8.049 -0.765) 8.089 10.825 ( -6.081 -17.560 -10.915) 21.551 11.087 ( 4.235 -3.583 -2.301) 6.006 11.213 ( 1.300 -9.669 1.215) 9.831 11.736 ( -7.896 -10.919 7.346) 15.347 12.628 ( -2.295 14.912 3.507) 15.490 13.350 ( -1.549 1.663 5.343) 5.807 13.823 ( -0.757 10.976 2.438) 11.269 14.039 ( 16.882 -0.158 -2.469) 17.062 15.148 ( -4.281 -2.712 0.294) 5.076 15.264 ( 0.276 -1.485 7.102) 7.261 16.729 ( -12.440 -0.885 3.794) 13.036 16.932 ( -14.881 -1.539 1.692) 15.056 18.211 ( 9.921 4.939 1.667) 11.207 18.911 ( 14.743 -8.002 -7.531) 18.388 ======================= Grid point 264 (137/205) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 8.843 6.047 -1.120) 10.772 2.674 ( 1.064 4.662 -1.205) 4.931 2.973 ( 13.658 0.483 -8.538) 16.114 3.315 ( -1.119 -8.421 4.637) 9.679 3.382 ( -12.385 2.866 -5.616) 13.898 3.797 ( -6.184 -2.230 -9.422) 11.489 3.920 ( 3.635 7.390 -1.856) 8.443 4.231 ( 0.959 2.692 -2.203) 3.609 4.334 ( 0.444 7.530 -3.540) 8.332 4.747 ( 5.110 2.672 0.092) 5.768 5.348 ( -1.648 -3.982 5.905) 7.310 5.521 ( 7.173 10.636 -9.857) 16.178 5.702 ( -4.414 4.837 0.464) 6.565 5.874 ( 3.048 11.250 11.489) 16.366 6.393 ( 1.518 -10.451 -1.390) 10.652 6.446 ( 2.818 -7.379 3.239) 8.538 7.023 ( 18.487 -11.503 4.217) 22.178 7.144 ( -2.360 7.511 10.722) 13.302 7.375 ( 5.145 3.459 0.865) 6.260 7.799 ( -5.137 -5.518 -1.870) 7.768 8.152 ( 0.107 8.316 0.468) 8.329 8.638 ( 3.689 -7.664 -11.301) 14.144 8.747 ( 2.478 -9.570 2.860) 10.291 9.180 ( 1.580 8.963 -13.811) 16.540 9.290 ( -26.399 -2.411 3.857) 26.788 9.711 ( -11.174 5.285 -4.538) 13.167 10.076 ( -1.696 2.871 1.080) 3.506 10.522 ( -0.696 -4.014 -4.611) 6.153 10.664 ( -0.494 -2.813 -4.755) 5.547 11.140 ( -0.959 -6.670 0.769) 6.782 11.324 ( 9.595 -11.318 -3.377) 15.217 11.800 ( 6.139 -15.535 17.556) 24.233 12.596 ( -2.853 19.924 -3.971) 20.515 13.388 ( -0.053 2.744 7.669) 8.145 13.741 ( -10.007 12.328 2.079) 16.014 14.259 ( 10.047 -7.665 -8.236) 15.084 15.086 ( -0.884 1.880 1.999) 2.883 15.390 ( 3.583 -1.918 10.682) 11.429 16.548 ( -10.612 -1.180 3.899) 11.367 16.650 ( -12.964 0.233 -3.033) 13.316 18.436 ( 9.367 3.733 5.656) 11.562 19.092 ( 11.070 -7.814 -7.162) 15.326 ======================= Grid point 265 (138/205) ======================= q-point: (-0.56 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -10.687 4.538 1.141) 11.667 2.575 ( 5.456 5.363 -0.719) 7.684 2.888 ( -19.932 5.663 -12.331) 24.113 3.188 ( 14.554 4.838 -7.215) 16.949 3.289 ( -11.070 -2.346 1.221) 11.382 3.516 ( -6.078 -3.699 -18.994) 20.283 4.013 ( 6.020 2.399 -2.175) 6.836 4.302 ( 0.029 8.441 -4.032) 9.355 4.386 ( 6.848 4.926 10.798) 13.702 4.809 ( 1.029 0.691 2.422) 2.721 5.361 ( -0.532 -4.670 1.116) 4.831 5.473 ( -5.529 4.224 -5.227) 8.702 5.594 ( -2.046 9.024 -3.900) 10.042 6.064 ( 1.507 12.833 21.448) 25.039 6.332 ( 0.893 -12.622 -14.157) 18.988 6.573 ( 0.018 -2.672 9.317) 9.693 7.211 ( 1.051 1.477 9.009) 9.190 7.557 ( 19.980 -1.747 4.176) 20.486 7.565 ( 16.325 -3.271 2.020) 16.771 7.756 ( 3.867 -5.085 -0.308) 6.396 8.150 ( -1.864 5.296 -1.407) 5.788 8.511 ( -8.577 -1.792 -4.606) 9.900 8.602 ( -17.575 0.001 -1.699) 17.657 8.912 ( -1.986 -13.208 -4.160) 13.990 9.107 ( -2.687 -1.574 -7.173) 7.820 9.488 ( -3.228 -0.818 -13.925) 14.317 10.125 ( 3.073 3.033 3.074) 5.300 10.484 ( 0.967 -4.337 -1.031) 4.561 10.678 ( 1.903 5.542 1.641) 6.085 11.085 ( -3.634 -7.042 0.344) 7.932 11.481 ( 8.286 -5.072 -1.708) 9.864 12.178 ( 12.355 -9.774 19.503) 25.071 12.445 ( -4.987 17.696 -8.502) 20.256 13.462 ( -2.773 7.445 9.980) 12.756 13.501 ( -12.911 4.843 -0.730) 13.809 14.267 ( 1.095 -13.962 -13.273) 19.295 15.174 ( 4.161 7.457 9.555) 12.815 15.539 ( 3.521 0.990 6.525) 7.480 16.382 ( -9.999 -0.782 3.349) 10.574 16.448 ( -4.124 0.287 -4.610) 6.192 18.623 ( 3.970 2.642 7.732) 9.084 19.205 ( 7.298 -7.826 -7.646) 13.152 ======================= Grid point 266 (139/205) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -12.322 4.653 -4.254) 13.841 2.475 ( -16.811 4.037 9.008) 19.495 2.659 ( -3.128 4.069 -3.743) 6.352 3.081 ( -5.275 5.097 -1.451) 7.477 3.255 ( -2.667 -4.819 -8.188) 9.868 3.448 ( 13.560 7.865 -11.021) 19.162 4.062 ( 0.701 1.382 -1.722) 2.316 4.266 ( 0.043 6.728 -5.780) 8.870 4.532 ( -1.359 3.266 8.464) 9.174 4.863 ( 2.732 1.780 2.397) 4.047 5.292 ( -7.205 0.966 -3.096) 7.901 5.374 ( -0.203 -1.905 0.021) 1.915 5.539 ( -3.799 5.457 1.520) 6.820 6.195 ( -2.854 -6.457 -12.278) 14.163 6.297 ( 4.216 12.911 18.735) 23.140 6.563 ( -8.069 -1.481 11.104) 13.806 7.277 ( -0.414 1.784 3.707) 4.135 7.531 ( -18.840 -6.001 -5.397) 20.496 7.720 ( -7.976 4.992 -1.821) 9.584 7.827 ( -1.040 -2.340 2.881) 3.855 8.029 ( -1.001 4.806 2.189) 5.375 8.604 ( 16.101 -2.689 -0.497) 16.332 8.639 ( 22.428 -2.775 -3.064) 22.806 8.936 ( 0.458 -11.297 -10.297) 15.292 9.019 ( 12.640 -16.203 -5.673) 21.319 9.388 ( 4.781 -11.287 -10.991) 16.464 10.181 ( 1.343 2.900 0.239) 3.205 10.523 ( 2.809 0.065 -1.286) 3.090 10.754 ( 1.930 6.919 6.273) 9.537 11.039 ( 0.072 -1.856 -2.862) 3.413 11.537 ( -6.550 8.671 4.558) 11.784 12.215 ( 2.469 8.937 -12.605) 15.648 12.613 ( 1.942 -3.525 21.089) 21.469 13.217 ( -7.455 3.298 -2.678) 8.580 13.540 ( -1.578 -0.214 10.235) 10.358 14.118 ( -4.267 -13.865 -13.147) 19.578 15.317 ( -1.180 7.752 10.427) 13.046 15.643 ( 6.789 5.987 0.861) 9.092 16.237 ( -7.762 0.428 2.822) 8.270 16.441 ( 5.652 -0.452 -0.976) 5.753 18.700 ( -2.784 1.747 7.695) 8.367 19.223 ( 1.757 -8.551 -9.809) 13.131 ======================= Grid point 267 (140/205) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -11.361 4.649 2.445) 12.517 2.300 ( -12.510 1.898 10.848) 16.667 2.522 ( -6.307 13.186 8.183) 16.751 3.027 ( -4.716 2.533 -3.926) 6.639 3.222 ( 5.738 -7.154 0.529) 9.186 3.617 ( 11.550 7.527 -6.764) 15.356 4.034 ( -2.763 1.420 1.224) 3.339 4.179 ( -4.539 7.987 -5.134) 10.524 4.504 ( -4.402 2.096 0.442) 4.896 4.908 ( -1.090 4.515 -1.607) 4.915 5.080 ( -13.612 0.063 0.683) 13.629 5.353 ( -8.062 -2.431 6.614) 10.708 5.491 ( -0.735 7.519 2.791) 8.054 6.026 ( -3.540 -1.084 -8.834) 9.578 6.461 ( -2.690 -5.314 5.546) 8.138 6.580 ( 1.075 9.227 14.315) 17.065 7.084 ( -17.263 6.895 4.702) 19.174 7.296 ( -2.658 4.267 -2.759) 5.735 7.465 ( -6.232 -6.757 -3.914) 9.991 7.860 ( 1.555 -11.054 -0.654) 11.182 8.144 ( 10.453 11.693 -5.043) 16.475 8.608 ( -6.468 -4.558 -7.013) 10.574 8.912 ( 4.641 -23.718 -7.684) 25.360 8.975 ( 13.789 -5.943 -7.509) 16.788 9.495 ( 18.409 -9.636 0.844) 20.796 9.564 ( 27.391 -11.599 2.172) 29.825 10.248 ( 11.258 6.483 -5.341) 14.046 10.535 ( 0.087 1.231 -3.615) 3.820 10.809 ( -1.791 4.683 5.448) 7.404 10.996 ( -1.499 4.468 -12.070) 12.957 11.326 ( -14.842 12.552 6.361) 20.453 12.283 ( 3.676 9.958 -0.062) 10.615 12.549 ( -8.680 -5.819 2.090) 10.657 13.306 ( 7.262 -4.691 9.104) 12.554 13.579 ( -3.457 0.242 10.938) 11.474 13.906 ( -7.257 -10.098 -10.222) 16.097 15.268 ( -7.076 8.117 1.507) 10.873 15.801 ( 4.504 -0.851 -0.925) 4.676 16.228 ( 6.512 8.552 9.084) 14.073 16.598 ( 9.696 -0.329 1.316) 9.791 18.648 ( -8.817 0.604 6.100) 10.739 19.088 ( -6.309 -8.971 -12.697) 16.778 ======================= Grid point 268 (141/205) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -20.049 4.779 12.282) 23.993 2.254 ( -3.226 3.599 4.878) 6.867 2.469 ( -12.297 17.294 6.862) 22.302 2.982 ( 2.340 -2.284 11.008) 11.483 3.305 ( -1.782 -2.737 4.109) 5.249 3.791 ( 8.708 -1.605 -4.000) 9.716 3.956 ( -2.497 7.402 -2.507) 8.204 4.079 ( -3.013 6.589 3.468) 8.033 4.401 ( -4.596 2.795 -3.716) 6.538 4.614 ( -19.665 4.746 -1.384) 20.277 5.006 ( -0.712 3.339 3.370) 4.797 5.234 ( -8.079 -0.337 6.378) 10.299 5.514 ( -1.738 5.673 4.185) 7.261 5.948 ( -0.762 -6.669 -1.414) 6.859 6.375 ( -6.142 2.112 -0.700) 6.532 6.687 ( 1.935 1.377 7.493) 7.860 7.002 ( -2.139 8.826 9.960) 13.479 7.174 ( -1.941 8.546 -9.856) 13.189 7.548 ( 12.707 -15.834 1.122) 20.333 7.831 ( -3.064 -10.144 -2.599) 10.911 8.287 ( 10.828 10.653 -10.449) 18.437 8.462 ( -4.588 -0.245 -1.159) 4.738 8.918 ( 4.469 -20.367 -11.618) 23.870 9.076 ( 5.576 -9.622 -5.704) 12.499 9.630 ( -0.758 -6.328 1.325) 6.509 10.176 ( 29.487 -9.375 -1.296) 30.969 10.414 ( -7.218 4.426 -1.795) 8.655 10.532 ( 6.747 0.744 -4.039) 7.899 10.743 ( -1.168 7.157 -5.473) 9.085 10.862 ( 6.851 7.880 -6.449) 12.272 11.205 ( -5.099 1.562 3.595) 6.432 12.110 ( -13.693 1.236 0.928) 13.780 12.687 ( 14.677 -0.964 0.566) 14.719 13.406 ( -7.201 -2.353 10.521) 12.965 13.580 ( -6.666 2.791 6.646) 9.818 13.734 ( -2.596 -6.472 -2.136) 7.293 15.144 ( -5.444 8.399 -0.597) 10.027 15.755 ( -3.506 -4.937 -5.128) 7.935 16.641 ( 22.423 6.025 12.122) 26.192 16.807 ( 11.617 1.223 2.453) 11.936 18.471 ( -13.720 -0.993 1.859) 13.881 18.783 ( -13.998 -6.138 -11.447) 19.096 ======================= Grid point 269 (142/205) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -11.114 4.774 19.657) 23.081 2.054 ( -15.789 11.634 2.364) 19.754 2.311 ( -9.201 11.564 3.023) 15.084 3.010 ( -9.273 -12.478 4.535) 16.194 3.467 ( 11.051 -6.747 5.920) 14.237 3.695 ( -1.599 10.284 2.714) 10.755 4.023 ( -6.029 -1.534 1.357) 6.367 4.141 ( 8.333 7.576 2.091) 11.455 4.244 ( -5.984 -2.592 -3.988) 7.644 4.471 ( 3.151 13.118 8.190) 15.782 5.002 ( -2.182 7.134 2.457) 7.854 5.200 ( -2.673 -1.264 9.817) 10.253 5.481 ( -5.089 1.349 4.450) 6.893 5.939 ( -0.663 -4.334 0.883) 4.473 6.294 ( -3.048 5.842 2.219) 6.953 6.805 ( 3.754 1.656 6.555) 7.733 7.036 ( -6.254 9.719 7.578) 13.820 7.091 ( 7.045 -5.628 -14.929) 17.441 7.682 ( -0.821 -10.141 -5.345) 11.493 7.910 ( 11.491 -7.184 8.767) 16.140 8.299 ( -4.572 2.546 -8.183) 9.713 8.435 ( 7.740 11.335 -7.092) 15.450 8.860 ( -0.069 -16.037 -13.531) 20.983 9.151 ( 8.782 -3.693 -8.344) 12.665 9.586 ( -1.608 -1.466 -2.218) 3.107 10.093 ( -15.807 -1.770 -6.218) 17.078 10.376 ( -9.232 -4.666 -0.059) 10.345 10.664 ( 15.613 -9.318 1.941) 18.286 10.757 ( 2.545 2.097 -4.459) 5.546 11.097 ( 6.276 -7.554 -10.885) 14.661 11.222 ( 13.568 10.503 4.840) 17.827 11.929 ( -5.671 -0.793 -0.910) 5.798 12.976 ( 14.487 -0.148 1.575) 14.574 13.248 ( -16.910 4.790 10.622) 20.536 13.486 ( -5.848 1.437 4.308) 7.404 13.706 ( -2.534 -1.699 1.180) 3.272 15.074 ( -2.763 7.030 2.496) 7.955 15.633 ( -4.213 -4.897 -6.195) 8.950 16.959 ( 8.964 0.995 1.456) 9.136 17.224 ( 18.592 -4.745 6.967) 20.414 18.183 ( -11.507 0.872 -4.186) 12.276 18.457 ( -12.773 -0.855 -2.714) 13.086 ======================= Grid point 270 (143/205) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 6.345 13.873 3.323) 15.613 2.120 ( 0.463 8.399 -1.709) 8.584 2.409 ( -0.201 8.429 0.671) 8.458 2.665 ( -0.590 -8.958 -0.761) 9.010 3.272 ( 3.426 -9.463 -3.819) 10.765 3.602 ( -8.957 -15.327 -1.983) 17.863 4.114 ( 2.821 7.291 -0.254) 7.822 4.243 ( 5.764 2.200 0.174) 6.172 4.437 ( 5.592 6.510 -1.838) 8.777 4.654 ( 3.815 -3.627 -2.906) 6.013 5.117 ( -1.398 -0.584 9.420) 9.541 5.308 ( -4.036 -7.470 6.485) 10.684 5.565 ( 0.666 18.886 22.621) 29.476 5.965 ( 1.369 -0.996 9.302) 9.455 6.383 ( -5.436 9.379 -1.005) 10.887 6.811 ( -1.993 -11.240 -6.985) 13.382 7.063 ( 5.687 11.590 1.346) 12.980 7.218 ( -9.102 15.725 9.627) 20.562 7.623 ( 7.263 -8.960 -1.436) 11.623 7.890 ( -9.625 -5.676 6.790) 13.075 8.265 ( 7.648 0.551 0.452) 7.681 8.440 ( -2.024 -9.321 -8.403) 12.712 8.750 ( 7.938 7.960 -11.330) 15.960 9.117 ( 5.485 -9.616 -9.453) 14.557 9.565 ( 0.080 1.442 -3.089) 3.410 9.724 ( -8.734 -3.654 -5.351) 10.875 10.143 ( -1.739 -0.807 -8.227) 8.447 10.486 ( 3.866 -17.973 -10.926) 21.385 10.792 ( -0.145 4.564 -2.560) 5.235 10.967 ( 2.620 -3.987 -8.007) 9.320 11.661 ( 1.681 8.593 4.793) 9.982 11.861 ( -1.581 -0.339 0.595) 1.723 13.050 ( -15.852 2.393 8.188) 18.002 13.170 ( 2.630 -4.632 4.432) 6.929 13.565 ( 5.172 4.924 2.881) 7.700 13.716 ( 7.037 -1.136 0.121) 7.130 15.189 ( -3.072 6.187 3.197) 7.611 15.401 ( -5.165 -4.435 -3.915) 7.853 17.108 ( 1.213 0.351 2.875) 3.140 17.172 ( -8.217 -3.385 2.069) 9.124 18.175 ( 0.284 2.288 -0.959) 2.497 18.302 ( 6.012 -3.157 -4.104) 7.935 ======================= Grid point 271 (144/205) ======================= q-point: ( 0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 14.078 9.106 -1.054) 16.799 2.275 ( 11.671 4.050 7.126) 14.262 2.570 ( 12.699 5.861 1.107) 14.030 2.678 ( 7.097 -5.225 -6.434) 10.912 3.367 ( 6.591 -8.753 2.998) 11.360 3.627 ( 13.674 -13.132 -3.955) 19.367 4.113 ( 0.789 7.445 -3.276) 8.172 4.325 ( 3.948 0.618 -4.788) 6.237 4.478 ( -0.562 4.432 -1.107) 4.603 4.629 ( -1.174 -1.973 -5.806) 6.243 5.215 ( 3.353 -3.783 7.951) 9.422 5.304 ( -0.802 -5.503 4.348) 7.059 5.771 ( -1.017 14.698 22.049) 26.519 6.013 ( -2.461 7.609 2.108) 8.270 6.276 ( -6.475 3.091 6.151) 9.451 6.664 ( -6.711 -11.177 -7.710) 15.146 7.062 ( -10.705 13.808 5.198) 18.229 7.216 ( 4.311 14.192 3.333) 15.202 7.588 ( -9.429 -3.577 -1.833) 10.250 7.869 ( 3.971 -7.535 2.037) 8.758 8.226 ( -8.794 1.153 -1.381) 8.976 8.447 ( 5.375 -3.474 -1.885) 6.672 8.712 ( -1.578 5.107 -11.019) 12.247 9.137 ( 7.495 -9.727 -7.557) 14.419 9.571 ( 0.263 -1.219 -0.837) 1.502 9.677 ( 7.484 -4.728 -4.070) 9.744 10.154 ( 6.576 -1.723 -4.180) 7.980 10.479 ( 5.633 -17.100 -10.295) 20.739 10.759 ( -1.753 5.179 -1.975) 5.813 10.961 ( 3.996 -3.646 -7.743) 9.445 11.490 ( -20.133 7.354 2.898) 21.629 11.774 ( -11.853 -4.276 3.080) 12.971 12.888 ( -4.933 9.123 5.026) 11.525 13.239 ( 2.244 -7.451 3.400) 8.492 13.768 ( 12.010 3.913 1.665) 12.741 13.883 ( 9.246 1.334 0.309) 9.346 15.167 ( -3.762 2.634 6.245) 7.751 15.275 ( -5.139 -2.467 -1.651) 5.935 16.964 ( -13.573 1.107 2.805) 13.904 17.070 ( -8.441 -3.085 3.855) 9.779 18.196 ( 5.339 6.225 -2.049) 8.453 18.501 ( 14.895 -8.142 -4.909) 17.671 ======================= Grid point 272 (145/205) ======================= q-point: ( 0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 7.480 6.599 3.029) 10.425 2.628 ( 21.435 6.809 -3.288) 22.730 2.716 ( 3.552 -6.416 0.708) 7.368 2.900 ( 17.015 -6.025 -1.403) 18.105 3.597 ( 9.040 2.286 2.881) 9.759 3.819 ( 5.033 -4.100 -3.903) 7.574 4.106 ( 0.347 8.759 -2.410) 9.091 4.341 ( 2.579 0.926 -6.536) 7.087 4.396 ( -2.416 1.521 -4.605) 5.418 4.612 ( 7.514 -5.300 -6.672) 11.361 5.298 ( -0.153 -0.432 4.141) 4.166 5.435 ( 10.081 -6.432 7.126) 13.920 5.816 ( -2.652 13.234 -1.955) 13.638 5.976 ( -2.893 7.059 7.023) 10.370 6.259 ( -4.605 -2.415 12.587) 13.619 6.455 ( -8.388 -9.575 -4.488) 13.497 6.880 ( -8.508 12.767 -0.022) 15.342 7.314 ( 2.992 12.156 1.925) 12.666 7.423 ( -6.039 1.107 1.290) 6.273 7.852 ( -6.936 -6.662 -0.898) 9.659 8.138 ( 0.283 -3.539 1.987) 4.068 8.454 ( -3.151 -12.683 -0.698) 13.087 8.670 ( 4.733 9.678 -5.928) 12.297 9.167 ( 1.047 -9.530 -7.782) 12.348 9.619 ( 5.060 5.062 -4.157) 8.277 9.792 ( 6.358 -4.083 -3.860) 8.485 10.234 ( -0.445 1.945 2.121) 2.912 10.489 ( -2.265 -13.639 -6.204) 15.154 10.702 ( 1.590 8.917 -3.088) 9.570 11.000 ( 6.462 -5.403 -5.821) 10.239 11.146 ( -13.601 2.479 3.928) 14.372 11.501 ( -16.415 -11.941 6.160) 21.213 12.933 ( 4.916 14.411 0.551) 15.236 13.319 ( 3.528 -4.325 1.579) 5.800 13.951 ( 3.984 2.490 1.084) 4.821 14.042 ( 7.482 -0.158 -1.137) 7.570 15.133 ( -3.416 1.212 3.021) 4.719 15.228 ( -1.563 -2.104 7.426) 7.875 16.742 ( -12.508 2.102 3.483) 13.153 16.880 ( -13.416 -3.450 2.220) 14.029 18.341 ( 10.414 7.947 -0.531) 13.111 18.728 ( 13.267 -10.005 -4.994) 17.351 ======================= Grid point 273 (146/205) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 6.669 4.311 2.048) 8.201 2.728 ( -1.113 -2.421 -0.779) 2.776 2.992 ( 18.364 3.176 -4.321) 19.131 3.169 ( 8.212 -4.988 3.135) 10.107 3.485 ( -14.972 6.028 -10.313) 19.153 3.725 ( -7.889 -4.779 -13.944) 16.719 4.092 ( 1.342 9.582 -2.596) 10.017 4.342 ( 5.358 8.477 2.482) 10.331 4.396 ( 3.361 -1.711 -6.526) 7.537 4.770 ( 8.541 -4.635 -1.385) 9.816 5.310 ( -3.227 4.783 5.138) 7.725 5.695 ( 6.860 2.416 0.587) 7.296 5.749 ( -0.942 1.746 0.559) 2.061 5.957 ( -1.245 -4.401 -5.070) 6.828 6.346 ( 7.424 -1.744 6.059) 9.740 6.364 ( -1.123 5.766 6.693) 8.905 6.865 ( 7.070 0.119 7.742) 10.485 7.336 ( 2.213 -3.684 -7.579) 8.713 7.409 ( 0.202 10.561 8.910) 13.819 7.743 ( -2.851 3.247 2.908) 5.208 8.173 ( 0.455 -7.640 1.466) 7.793 8.396 ( -0.429 -17.914 -3.025) 18.173 8.669 ( -1.199 6.073 -5.286) 8.140 9.062 ( -6.523 -10.021 -4.721) 12.855 9.495 ( -16.578 11.541 -9.766) 22.437 9.762 ( -8.342 -0.766 -8.103) 11.655 10.150 ( -2.308 4.266 0.636) 4.892 10.358 ( -2.214 -7.278 -0.583) 7.630 10.765 ( 3.002 7.744 0.132) 8.307 11.016 ( -4.198 -3.580 5.207) 7.586 11.192 ( 14.226 -3.312 -4.764) 15.363 11.485 ( 8.247 -15.144 15.620) 23.267 12.988 ( 1.134 17.930 -5.989) 18.938 13.386 ( 2.214 -2.468 1.493) 3.636 13.916 ( -8.540 4.645 1.336) 9.813 14.095 ( 1.008 -7.626 -6.625) 10.152 15.157 ( 2.849 4.489 6.213) 8.177 15.327 ( 3.612 -3.821 10.688) 11.911 16.552 ( -10.646 1.477 3.208) 11.217 16.637 ( -12.246 -1.492 -0.532) 12.348 18.544 ( 9.536 7.069 2.036) 12.044 18.912 ( 10.340 -9.806 -4.543) 14.957 ======================= Grid point 274 (147/205) ======================= q-point: (-0.56 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -4.670 1.916 6.222) 8.012 2.634 ( -6.815 1.261 0.480) 6.948 3.006 ( -16.523 5.405 -9.542) 19.831 3.216 ( -9.008 -4.396 1.425) 10.124 3.276 ( 12.365 3.545 -9.668) 16.091 3.451 ( 3.208 -3.137 -22.200) 22.649 4.112 ( 2.329 7.613 -2.199) 8.260 4.374 ( 0.829 -0.222 -5.277) 5.347 4.562 ( 10.362 8.485 6.381) 14.836 4.850 ( -0.148 0.956 2.696) 2.864 5.281 ( -2.168 2.190 2.096) 3.727 5.579 ( -7.667 5.999 -3.182) 10.242 5.736 ( -5.330 2.280 -2.470) 6.301 5.945 ( -0.406 -18.202 2.489) 18.376 6.430 ( 5.205 16.169 -0.679) 16.999 6.609 ( 8.621 5.971 8.364) 13.414 7.180 ( 8.174 -5.290 8.990) 13.252 7.352 ( 3.318 -12.789 3.148) 13.582 7.602 ( 15.976 7.922 4.621) 18.421 7.851 ( 12.582 9.437 3.817) 16.185 8.145 ( -5.276 -6.151 -0.482) 8.118 8.411 ( 6.664 -17.717 -5.346) 19.669 8.562 ( -3.918 5.338 -3.663) 7.567 8.773 ( -23.796 -1.088 -0.337) 23.823 9.040 ( -14.564 -1.622 -9.885) 17.676 9.366 ( -18.452 -10.503 -12.665) 24.723 10.206 ( 6.034 4.786 -3.743) 8.563 10.398 ( 5.355 -4.523 -1.510) 7.170 10.824 ( 2.603 7.694 1.292) 8.225 11.001 ( 0.026 -1.742 0.699) 1.877 11.469 ( 15.482 4.376 4.226) 16.634 11.937 ( 17.430 -13.610 23.561) 32.314 12.838 ( -8.247 19.820 -12.602) 24.893 13.399 ( -3.217 -6.606 -2.440) 7.743 13.692 ( -13.346 7.173 2.089) 15.295 14.005 ( -2.831 -11.543 -7.879) 14.260 15.325 ( 6.102 6.969 10.297) 13.850 15.514 ( 6.421 -2.815 8.744) 11.208 16.391 ( -9.029 1.422 2.612) 9.506 16.446 ( -5.571 -0.577 -2.425) 6.103 18.706 ( 4.577 5.665 3.509) 8.084 19.030 ( 5.983 -9.276 -4.771) 12.026 ======================= Grid point 275 (148/205) ======================= q-point: (-0.44 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -14.138 4.839 -0.373) 14.948 2.491 ( -14.908 -1.304 9.000) 17.463 2.769 ( -3.674 6.091 -2.814) 7.650 3.036 ( -4.306 -7.014 -1.797) 8.424 3.270 ( -0.655 5.538 -10.043) 11.488 3.536 ( 12.480 -1.615 -12.604) 17.810 4.124 ( 0.667 6.389 -1.649) 6.632 4.344 ( 1.611 -0.225 -6.725) 6.919 4.724 ( -2.533 12.903 5.039) 14.081 4.880 ( 3.593 0.445 4.624) 5.873 5.268 ( -2.250 -0.466 2.144) 3.143 5.408 ( -7.182 4.686 -2.826) 9.029 5.639 ( -2.589 1.161 -0.965) 2.997 5.923 ( -4.703 -16.486 4.235) 17.659 6.542 ( 9.146 13.470 -7.352) 17.865 6.714 ( -2.896 9.599 9.195) 13.604 7.258 ( -6.004 -2.265 6.495) 9.131 7.405 ( -1.764 -6.826 5.406) 8.884 7.780 ( -17.087 2.485 0.698) 17.281 7.886 ( -8.132 9.107 0.360) 12.215 8.208 ( 13.550 9.873 -2.037) 16.888 8.427 ( -5.743 -15.260 -0.652) 16.318 8.594 ( 14.556 -1.596 -2.383) 14.836 8.730 ( 5.400 -11.207 -12.620) 17.721 8.742 ( 14.911 -5.662 2.378) 16.126 9.051 ( -4.943 -19.491 -3.288) 20.376 10.279 ( 7.178 6.041 -7.578) 12.060 10.485 ( 5.662 -3.476 -3.791) 7.649 10.870 ( 1.650 4.875 -0.184) 5.150 11.017 ( 3.076 -1.526 -4.889) 5.974 11.784 ( 5.344 15.629 14.129) 21.736 12.388 ( 5.518 -4.307 15.181) 16.717 12.564 ( -4.621 9.613 -6.570) 12.527 13.143 ( -11.911 -9.699 -10.408) 18.555 13.591 ( -3.584 4.771 6.832) 9.071 13.880 ( -4.209 -9.985 -5.815) 12.298 15.480 ( -0.540 7.804 8.833) 11.799 15.683 ( 5.645 -1.361 3.483) 6.771 16.286 ( -2.861 3.900 2.695) 5.537 16.419 ( 4.262 -1.806 -0.210) 4.633 18.759 ( -2.144 4.294 3.361) 5.859 19.042 ( -0.237 -9.026 -6.182) 10.943 ======================= Grid point 276 (149/205) ======================= q-point: (-0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -11.309 5.017 2.776) 12.679 2.304 ( -10.585 -1.476 7.701) 13.173 2.781 ( 3.481 10.886 10.508) 15.525 3.051 ( -0.991 -3.704 -3.218) 5.005 3.134 ( -1.996 3.942 -1.797) 4.770 3.591 ( 2.749 -9.300 -7.735) 12.405 4.125 ( 1.398 7.737 -1.776) 8.060 4.316 ( 1.187 1.977 -7.823) 8.156 4.623 ( -8.525 10.662 1.248) 13.709 4.957 ( -2.740 -1.446 -1.108) 3.290 5.143 ( -10.574 6.616 5.851) 13.778 5.332 ( -3.024 0.361 2.994) 4.271 5.605 ( -2.889 2.657 3.884) 5.522 5.843 ( -6.298 -13.766 1.656) 15.228 6.564 ( 0.812 14.694 -7.445) 16.492 6.771 ( -1.199 8.641 5.703) 10.423 7.090 ( -5.175 -10.665 0.699) 11.875 7.380 ( -16.507 11.986 6.793) 21.501 7.436 ( -0.617 -5.853 -9.051) 10.796 7.777 ( -5.623 11.028 6.750) 14.099 8.337 ( 0.076 -18.042 2.403) 18.201 8.387 ( 3.702 1.578 -3.750) 5.500 8.554 ( 1.158 -8.585 -7.536) 11.481 8.756 ( 1.822 -15.084 -7.034) 16.743 9.262 ( 21.874 -5.936 4.297) 23.069 9.401 ( 34.585 -7.605 0.700) 35.418 10.383 ( 12.090 6.384 -8.490) 16.093 10.537 ( 3.149 -1.059 -4.142) 5.310 10.886 ( 0.308 3.510 -0.308) 3.537 11.013 ( 1.886 -1.683 -8.763) 9.121 11.684 ( -18.575 20.153 -0.836) 27.420 12.376 ( -20.969 -11.434 -0.515) 23.889 12.532 ( 12.774 14.215 1.578) 19.176 13.132 ( 8.211 -11.892 8.951) 16.999 13.594 ( -3.208 1.448 8.414) 9.120 13.750 ( -5.542 -5.905 -3.064) 8.658 15.445 ( -5.866 8.964 1.008) 10.760 15.735 ( -1.771 -4.984 -1.119) 5.406 16.399 ( 11.002 7.548 6.490) 14.837 16.578 ( 10.347 -1.804 2.489) 10.794 18.680 ( -8.510 2.801 1.897) 9.158 18.910 ( -7.455 -8.348 -7.669) 13.567 ======================= Grid point 277 (150/205) ======================= q-point: (-0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -12.672 9.822 6.360) 17.247 2.283 ( 1.827 -2.283 4.114) 5.047 2.752 ( -16.424 8.838 -9.552) 20.955 3.044 ( 2.362 11.961 18.111) 21.832 3.161 ( -1.949 -10.255 0.669) 10.460 3.655 ( 9.205 -10.755 4.313) 14.799 4.142 ( 2.114 7.959 -3.236) 8.848 4.205 ( -8.560 5.742 -3.946) 11.037 4.452 ( -9.277 4.345 -3.185) 10.727 4.694 ( -11.528 -0.798 -7.241) 13.637 5.127 ( -2.867 6.188 9.368) 11.587 5.276 ( -6.586 5.652 9.086) 12.564 5.569 ( -7.609 -0.817 7.168) 10.485 5.768 ( -0.472 -9.282 1.713) 9.450 6.524 ( 0.142 12.779 -5.073) 13.750 6.730 ( -1.523 3.953 4.695) 6.324 7.130 ( -2.524 -4.300 -16.316) 17.061 7.224 ( 12.311 -12.928 -1.092) 17.886 7.394 ( -6.512 15.546 10.592) 19.907 7.785 ( -1.061 8.279 9.085) 12.337 8.285 ( -7.389 -19.291 7.407) 21.945 8.482 ( 9.025 1.780 -11.147) 14.452 8.572 ( 6.084 -8.607 -6.323) 12.291 8.784 ( 7.644 -14.519 -2.677) 16.625 9.586 ( 10.044 2.799 -3.067) 10.868 9.948 ( 22.131 -12.104 -4.840) 25.685 10.506 ( -2.248 4.415 -3.832) 6.264 10.569 ( 6.223 1.667 -5.355) 8.377 10.863 ( -1.638 4.274 -3.044) 5.497 10.947 ( 3.335 0.402 -10.858) 11.365 11.372 ( -7.512 14.013 -1.743) 15.995 11.977 ( -13.521 -12.269 -5.402) 19.041 12.812 ( 11.602 11.370 4.460) 16.846 13.304 ( -1.366 -8.505 10.937) 13.922 13.613 ( -3.686 -0.818 10.089) 10.772 13.628 ( -5.039 -1.778 -0.113) 5.345 15.329 ( -5.063 9.394 -2.102) 10.877 15.644 ( -4.304 -6.162 -4.018) 8.523 16.737 ( 15.950 3.697 6.241) 17.523 16.820 ( 12.827 -0.240 3.869) 13.400 18.478 ( -12.776 1.875 -1.315) 12.980 18.657 ( -12.070 -6.167 -5.990) 14.819 ======================= Grid point 278 (151/205) ======================= q-point: (-0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -3.685 16.040 7.541) 18.103 2.299 ( -11.501 12.687 -2.671) 17.331 2.438 ( 0.022 -3.697 -3.944) 5.406 2.808 ( -16.656 -8.557 -0.865) 18.746 3.310 ( -1.433 0.021 4.198) 4.436 3.828 ( -3.987 -12.174 2.975) 13.152 3.979 ( -3.932 11.079 4.816) 12.704 4.213 ( 1.917 -0.642 -0.479) 2.077 4.306 ( 5.184 7.420 -3.038) 9.547 4.590 ( 3.601 -2.372 -5.375) 6.891 5.114 ( -5.103 2.489 7.876) 9.709 5.298 ( -2.968 5.043 14.166) 15.327 5.473 ( -6.393 4.086 8.364) 11.293 5.846 ( 2.809 -5.122 7.892) 9.819 6.470 ( -2.373 10.808 -2.579) 11.362 6.813 ( 3.428 -1.859 4.102) 5.660 7.010 ( 4.375 0.607 -15.904) 16.506 7.295 ( -8.388 12.775 12.185) 19.545 7.478 ( 9.127 -8.159 -1.452) 12.328 7.891 ( 1.727 4.403 11.532) 12.464 8.201 ( -4.144 -13.339 1.848) 14.089 8.506 ( 2.812 -12.657 -8.746) 15.640 8.665 ( 9.551 6.380 -8.958) 14.566 8.975 ( 13.817 -10.563 -5.222) 18.159 9.629 ( 0.445 5.965 -6.498) 8.832 10.003 ( -9.633 -7.253 -8.599) 14.810 10.356 ( -9.242 0.891 -9.742) 13.458 10.494 ( 1.208 -5.632 -5.422) 7.911 10.821 ( -0.180 3.427 -4.036) 5.298 10.978 ( 5.182 -4.762 -10.173) 12.370 11.452 ( 11.573 11.769 4.058) 16.997 11.850 ( 0.480 -6.683 0.010) 6.700 13.026 ( 8.383 4.976 2.420) 10.044 13.261 ( -11.885 -3.017 9.870) 15.740 13.541 ( -4.367 2.893 4.007) 6.595 13.641 ( -0.323 -3.667 4.127) 5.531 15.237 ( -3.374 8.546 -0.596) 9.207 15.526 ( -4.379 -5.776 -4.514) 8.539 16.989 ( 8.591 2.068 2.030) 9.067 17.127 ( 10.796 -4.674 4.719) 12.675 18.230 ( -8.342 3.583 -3.364) 9.682 18.405 ( -10.024 -3.901 -2.430) 11.028 ======================= Grid point 279 (152/205) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 1.689 -6.982 -9.271) 11.728 2.172 ( 1.689 6.982 -9.271) 11.728 2.508 ( 6.338 -5.681 3.094) 9.056 2.508 ( 6.338 5.681 3.094) 9.056 3.304 ( -8.307 -11.754 -0.380) 14.398 3.304 ( -8.307 11.754 -0.380) 14.398 4.234 ( 4.329 -3.800 -3.515) 6.748 4.234 ( 4.329 3.800 -3.515) 6.748 4.550 ( 5.804 -5.635 -2.023) 8.339 4.550 ( 5.804 5.635 -2.023) 8.339 5.167 ( -4.154 -5.519 9.253) 11.547 5.167 ( -4.154 5.519 9.253) 11.547 5.858 ( 1.373 -9.824 16.858) 19.560 5.858 ( 1.373 9.824 16.858) 19.560 6.593 ( -4.427 -10.709 -4.178) 12.318 6.593 ( -4.427 10.709 -4.178) 12.318 7.352 ( 7.044 -14.866 2.006) 16.572 7.352 ( 7.044 14.866 2.006) 16.572 7.603 ( -9.380 -19.289 7.374) 22.681 7.603 ( -9.380 19.289 7.374) 22.681 8.322 ( 6.033 -5.315 0.238) 8.044 8.322 ( 6.033 5.315 0.238) 8.044 8.913 ( 5.098 -9.131 -11.023) 15.194 8.913 ( 5.098 9.131 -11.023) 15.194 9.640 ( -6.243 -4.808 -5.106) 9.390 9.640 ( -6.243 4.808 -5.106) 9.390 10.217 ( 1.504 -8.293 -13.416) 15.844 10.217 ( 1.504 8.293 -13.416) 15.844 10.884 ( 1.947 -4.406 -5.795) 7.536 10.884 ( 1.947 4.406 -5.795) 7.536 11.806 ( -0.618 -5.229 4.223) 6.750 11.806 ( -0.618 5.229 4.223) 6.750 13.097 ( -7.054 -2.713 5.640) 9.430 13.097 ( -7.054 2.713 5.640) 9.430 13.657 ( 7.443 -4.157 1.226) 8.613 13.657 ( 7.443 4.157 1.226) 8.613 15.306 ( -4.426 -5.249 -0.423) 6.878 15.306 ( -4.426 5.249 -0.423) 6.878 17.124 ( -2.982 -1.450 2.727) 4.293 17.124 ( -2.982 1.450 2.727) 4.293 18.233 ( 2.513 -3.418 -2.739) 5.049 18.233 ( 2.513 3.418 -2.739) 5.049 ======================= Grid point 281 (153/205) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 14.749 -4.545 -1.902) 15.550 2.291 ( 14.749 4.545 -1.902) 15.550 2.619 ( 4.688 -0.443 -3.062) 5.617 2.619 ( 4.688 0.443 -3.062) 5.617 3.375 ( 14.533 -9.247 2.761) 17.445 3.375 ( 14.533 9.247 2.761) 17.445 4.262 ( 3.820 -6.435 -6.691) 10.038 4.262 ( 3.820 6.435 -6.691) 10.038 4.563 ( -2.027 -4.068 -3.494) 5.733 4.563 ( -2.027 4.068 -3.494) 5.733 5.209 ( 1.042 -3.012 7.279) 7.946 5.209 ( 1.042 3.012 7.279) 7.946 5.998 ( -1.852 -7.316 15.902) 17.602 5.998 ( -1.852 7.316 15.902) 17.602 6.435 ( -8.390 -10.865 -4.047) 14.312 6.435 ( -8.390 10.865 -4.047) 14.312 7.377 ( -7.658 -14.535 2.027) 16.554 7.377 ( -7.658 14.535 2.027) 16.554 7.571 ( 2.203 -18.142 3.981) 18.704 7.571 ( 2.203 18.142 3.981) 18.704 8.346 ( -3.858 -7.554 -3.976) 9.368 8.346 ( -3.858 7.554 -3.976) 9.368 8.887 ( 3.450 -12.364 -4.903) 13.741 8.887 ( 3.450 12.364 -4.903) 13.741 9.595 ( 4.370 -3.064 -2.992) 6.118 9.595 ( 4.370 3.064 -2.992) 6.118 10.221 ( 8.366 -8.048 -9.936) 15.280 10.221 ( 8.366 8.048 -9.936) 15.280 10.872 ( 2.029 -5.227 -5.856) 8.107 10.872 ( 2.029 5.227 -5.856) 8.107 11.649 ( -19.105 -7.713 4.047) 20.997 11.649 ( -19.105 7.713 4.047) 20.997 13.072 ( 1.486 -8.957 3.323) 9.669 13.072 ( 1.486 8.957 3.323) 9.669 13.848 ( 10.301 -3.706 0.821) 10.978 13.848 ( 10.301 3.706 0.821) 10.978 15.224 ( -4.952 -2.787 2.466) 6.194 15.224 ( -4.952 2.787 2.466) 6.194 17.007 ( -10.897 -2.925 3.191) 11.726 17.007 ( -10.897 2.925 3.191) 11.726 18.338 ( 10.076 -7.823 -3.270) 13.169 18.338 ( 10.076 7.823 -3.270) 13.169 ======================= Grid point 283 (154/205) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 5.139 -9.940 3.540) 11.737 2.517 ( 5.139 9.940 3.540) 11.737 2.783 ( 18.665 -6.239 -5.848) 20.530 2.783 ( 18.665 6.239 -5.848) 20.530 3.700 ( 10.683 -6.841 0.939) 12.721 3.700 ( 10.683 6.841 0.939) 12.721 4.276 ( 3.602 -7.125 -6.708) 10.428 4.276 ( 3.602 7.125 -6.708) 10.428 4.476 ( -0.112 -6.374 -4.592) 7.856 4.476 ( -0.112 6.374 -4.592) 7.856 5.331 ( 6.973 -3.542 5.224) 9.406 5.331 ( 6.973 3.542 5.224) 9.406 6.022 ( -5.783 -4.493 3.651) 8.183 6.022 ( -5.783 4.493 3.651) 8.183 6.265 ( -6.585 -5.702 5.055) 10.071 6.265 ( -6.585 5.702 5.055) 10.071 7.209 ( -7.955 -15.856 -3.040) 17.998 7.209 ( -7.955 15.856 -3.040) 17.998 7.654 ( 2.000 -14.733 4.396) 15.504 7.654 ( 2.000 14.733 4.396) 15.504 8.189 ( -7.102 -10.687 -2.130) 13.007 8.189 ( -7.102 10.687 -2.130) 13.007 8.924 ( 1.634 -13.547 -4.374) 14.329 8.924 ( 1.634 13.547 -4.374) 14.329 9.714 ( 9.429 -4.009 -3.886) 10.958 9.714 ( 9.429 4.009 -3.886) 10.958 10.301 ( 2.381 -5.539 -2.334) 6.465 10.301 ( 2.381 5.539 -2.334) 6.465 10.870 ( 3.195 -7.539 -4.556) 9.370 10.870 ( 3.195 7.539 -4.556) 9.370 11.278 ( -18.647 -9.667 4.496) 21.480 11.278 ( -18.647 9.667 4.496) 21.480 13.179 ( 6.973 -9.677 -0.356) 11.933 13.179 ( 6.973 9.677 -0.356) 11.933 14.002 ( 4.196 -3.110 0.356) 5.234 14.002 ( 4.196 3.110 0.356) 5.234 15.179 ( -2.759 -2.755 5.726) 6.927 15.179 ( -2.759 2.755 5.726) 6.927 16.804 ( -12.632 -3.789 2.853) 13.493 16.804 ( -12.632 3.789 2.853) 13.493 18.524 ( 11.674 -9.962 -2.676) 15.578 18.524 ( 11.674 9.962 -2.676) 15.578 ======================= Grid point 285 (155/205) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 3.026 -6.794 2.112) 7.731 2.612 ( 3.026 6.794 2.112) 7.731 3.082 ( 13.191 -4.507 -1.019) 13.977 3.082 ( 13.191 4.507 -1.019) 13.977 3.611 ( -11.579 -6.312 -13.103) 18.590 3.611 ( -11.579 6.312 -13.103) 18.590 4.283 ( 3.020 -8.536 -6.102) 10.919 4.283 ( 3.020 8.536 -6.102) 10.919 4.564 ( 8.361 -12.592 1.283) 15.169 4.564 ( 8.361 12.592 1.283) 15.169 5.523 ( 4.711 -12.969 6.245) 15.146 5.523 ( 4.711 12.969 6.245) 15.146 5.859 ( -7.801 -5.387 -5.409) 10.915 5.859 ( -7.801 5.387 -5.409) 10.915 6.372 ( 10.934 -3.232 10.284) 15.355 6.372 ( 10.934 3.232 10.284) 15.355 7.073 ( -2.711 -15.965 -2.564) 16.395 7.073 ( -2.711 15.965 -2.564) 16.395 7.727 ( 2.783 -13.306 4.202) 14.228 7.727 ( 2.783 13.306 4.202) 14.228 8.087 ( -3.153 -8.468 0.889) 9.079 8.087 ( -3.153 8.468 0.889) 9.079 8.853 ( -3.901 -10.451 -5.903) 12.621 8.853 ( -3.901 10.451 -5.903) 12.621 9.681 ( -13.117 -6.927 -11.280) 18.635 9.681 ( -13.117 6.927 -11.280) 18.635 10.242 ( -1.662 -4.881 1.288) 5.315 10.242 ( -1.662 4.881 1.288) 5.315 10.926 ( 1.153 -7.193 2.570) 7.725 10.926 ( 1.153 7.193 2.570) 7.725 11.234 ( 10.974 -8.445 6.866) 15.456 11.234 ( 10.974 8.445 6.866) 15.456 13.273 ( 3.847 -9.720 -4.632) 11.434 13.273 ( 3.847 9.720 -4.632) 11.434 13.980 ( -5.937 -3.669 -1.339) 7.107 13.980 ( -5.937 3.669 -1.339) 7.107 15.247 ( 3.626 -4.221 9.103) 10.669 15.247 ( 3.626 4.221 9.103) 10.669 16.595 ( -11.219 -2.439 1.653) 11.600 16.595 ( -11.219 2.439 1.653) 11.600 18.713 ( 9.806 -9.542 -1.457) 13.759 18.713 ( 9.806 9.542 -1.457) 13.759 ======================= Grid point 287 (156/205) ======================= q-point: (-0.56 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -6.082 -1.566 4.692) 7.839 2.627 ( -6.082 1.566 4.692) 7.839 3.112 ( -13.346 -5.531 -2.723) 14.701 3.112 ( -13.346 5.531 -2.723) 14.701 3.366 ( 8.898 -5.140 -17.367) 20.179 3.366 ( 8.898 5.140 -17.367) 20.179 4.284 ( 2.109 -7.953 -5.586) 9.945 4.284 ( 2.109 7.953 -5.586) 9.945 4.739 ( 7.215 -9.272 4.282) 12.504 4.739 ( 7.215 9.272 4.282) 12.504 5.530 ( -5.233 -17.958 -1.499) 18.765 5.530 ( -5.233 17.958 -1.499) 18.765 5.712 ( -6.134 -5.265 3.694) 8.887 5.712 ( -6.134 5.265 3.694) 8.887 6.680 ( 11.577 -4.570 -3.007) 12.804 6.680 ( 11.577 4.570 -3.007) 12.804 7.133 ( 5.580 -5.413 11.153) 13.595 7.133 ( 5.580 5.413 11.153) 13.595 7.868 ( 8.582 -15.211 2.510) 17.644 7.868 ( 8.582 15.211 2.510) 17.644 8.095 ( 5.856 -10.847 0.801) 12.353 8.095 ( 5.856 10.847 0.801) 12.353 8.693 ( -8.938 -6.501 -4.019) 11.761 8.693 ( -8.938 6.501 -4.019) 11.761 9.139 ( -27.530 -10.179 -9.967) 30.997 9.139 ( -27.530 10.179 -9.967) 30.997 10.304 ( 7.210 -4.797 -4.931) 9.965 10.304 ( 7.210 4.797 -4.931) 9.965 10.949 ( 1.859 -4.344 -2.422) 5.309 10.949 ( 1.859 4.344 -2.422) 5.309 11.658 ( 18.447 -13.171 18.572) 29.303 11.658 ( 18.447 13.171 18.572) 29.303 13.192 ( -6.827 -14.404 -10.636) 19.162 13.192 ( -6.827 14.404 -10.636) 19.162 13.819 ( -7.773 -6.986 -0.838) 10.484 13.819 ( -7.773 6.986 -0.838) 10.484 15.440 ( 6.884 -4.546 10.317) 13.210 15.440 ( 6.884 4.546 10.317) 13.210 16.424 ( -7.230 -1.556 0.268) 7.400 16.424 ( -7.230 1.556 0.268) 7.400 18.849 ( 5.128 -8.399 -0.934) 9.885 18.849 ( 5.128 8.399 -0.934) 9.885 ======================= Grid point 289 (157/205) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -14.561 -2.934 4.637) 15.561 2.449 ( -14.561 2.934 4.637) 15.561 2.893 ( -4.128 -6.617 -1.643) 7.970 2.893 ( -4.128 6.617 -1.643) 7.970 3.417 ( 5.494 -8.158 -11.216) 14.917 3.417 ( 5.494 8.158 -11.216) 14.917 4.272 ( 1.836 -6.489 -5.441) 8.665 4.272 ( 1.836 6.489 -5.441) 8.665 4.877 ( 2.219 -2.117 4.560) 5.496 4.877 ( 2.219 2.117 4.560) 5.496 5.388 ( -5.170 -9.789 -4.772) 12.055 5.388 ( -5.170 9.789 -4.772) 12.055 5.666 ( -5.127 -7.167 8.686) 12.373 5.666 ( -5.127 7.167 8.686) 12.373 6.774 ( 7.441 -5.727 -10.047) 13.752 6.774 ( 7.441 5.727 -10.047) 13.752 7.269 ( -6.448 -4.701 13.273) 15.487 7.269 ( -6.448 4.701 13.273) 15.487 7.915 ( -4.962 -9.397 1.154) 10.689 7.915 ( -4.962 9.397 1.154) 10.689 8.308 ( -8.604 -6.957 1.366) 11.149 8.308 ( -8.604 6.957 1.366) 11.149 8.551 ( 14.565 -2.496 -6.811) 16.272 8.551 ( 14.565 2.496 -6.811) 16.272 8.762 ( 2.035 -6.677 -1.200) 7.082 8.762 ( 2.035 6.677 -1.200) 7.082 10.396 ( 7.883 -5.257 -7.175) 11.885 10.396 ( 7.883 5.257 -7.175) 11.885 10.960 ( 2.633 -3.942 -5.206) 7.041 10.960 ( 2.633 3.942 -5.206) 7.041 12.123 ( 8.842 -16.800 21.710) 28.840 12.123 ( 8.842 16.800 21.710) 28.840 12.876 ( -10.939 -15.981 -14.458) 24.168 12.876 ( -10.939 15.981 -14.458) 24.168 13.710 ( -4.418 -7.077 1.121) 8.418 13.710 ( -4.418 7.077 1.121) 8.418 15.613 ( 2.008 -5.250 6.914) 8.911 15.613 ( 2.008 5.250 6.914) 8.911 16.365 ( 1.732 -3.517 1.045) 4.057 16.365 ( 1.732 3.517 1.045) 4.057 18.876 ( -1.428 -7.227 -1.599) 7.539 18.876 ( -1.428 7.227 -1.599) 7.539 ======================= Grid point 291 (158/205) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -10.354 -4.145 4.643) 12.081 2.246 ( -10.354 4.145 4.643) 12.081 2.938 ( 5.468 -6.058 6.675) 10.543 2.938 ( 5.468 6.058 6.675) 10.543 3.344 ( -4.354 -13.510 -7.093) 15.867 3.344 ( -4.354 13.510 -7.093) 15.867 4.269 ( 2.726 -5.517 -5.999) 8.594 4.269 ( 2.726 5.517 -5.999) 8.594 4.846 ( -8.171 -9.222 -0.709) 12.342 4.846 ( -8.171 9.222 -0.709) 12.342 5.295 ( -4.111 -6.100 3.943) 8.346 5.295 ( -4.111 6.100 3.943) 8.346 5.640 ( -4.836 -4.054 6.426) 9.007 5.640 ( -4.836 4.054 6.426) 9.007 6.836 ( 5.634 -9.064 -5.697) 12.097 6.836 ( 5.634 9.064 -5.697) 12.097 7.086 ( -11.385 -17.471 -6.914) 21.969 7.086 ( -11.385 17.471 -6.914) 21.969 7.821 ( -8.994 -24.336 14.258) 29.605 7.821 ( -8.994 24.336 14.258) 29.605 8.168 ( -3.881 -23.506 2.386) 23.943 8.168 ( -3.881 23.506 2.386) 23.943 8.562 ( 3.973 -6.884 -10.155) 12.896 8.562 ( 3.973 6.884 -10.155) 12.896 9.268 ( 31.039 -4.714 1.612) 31.436 9.268 ( 31.039 4.714 1.612) 31.436 10.488 ( 8.245 -3.885 -6.585) 11.244 10.488 ( 8.245 3.885 -6.585) 11.244 10.957 ( 1.798 -3.442 -5.742) 6.932 10.957 ( 1.798 3.442 -5.742) 6.932 12.074 ( -20.348 -17.855 -2.206) 27.160 12.074 ( -20.348 17.855 -2.206) 27.160 12.847 ( 10.204 -15.876 5.785) 19.739 12.847 ( 10.204 15.876 5.785) 19.739 13.651 ( -4.171 -4.076 3.493) 6.797 13.651 ( -4.171 4.076 3.493) 6.797 15.611 ( -4.348 -7.331 0.257) 8.527 15.611 ( -4.348 7.331 0.257) 8.527 16.518 ( 11.070 -4.371 4.044) 12.570 16.518 ( 11.070 4.371 4.044) 12.570 18.766 ( -8.047 -5.823 -2.785) 10.316 18.766 ( -8.047 5.823 -2.785) 10.316 ======================= Grid point 293 (159/205) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -2.741 -9.642 3.254) 10.539 2.152 ( -2.741 9.642 3.254) 10.539 2.930 ( -13.182 -10.536 -5.089) 17.626 2.930 ( -13.182 10.536 -5.089) 17.626 3.374 ( 9.174 -16.554 12.030) 22.426 3.374 ( 9.174 16.554 12.030) 22.426 4.246 ( -1.748 -2.051 -5.130) 5.795 4.246 ( -1.748 2.051 -5.130) 5.795 4.591 ( -12.136 -7.920 -6.142) 15.739 4.591 ( -12.136 7.920 -6.142) 15.739 5.263 ( -6.669 -7.422 9.817) 13.998 5.263 ( -6.669 7.422 9.817) 13.998 5.615 ( -1.932 -6.578 6.358) 9.351 5.615 ( -1.932 6.578 6.358) 9.351 6.778 ( -6.636 -5.589 -0.880) 8.721 6.778 ( -6.636 5.589 -0.880) 8.721 7.016 ( 12.034 -3.488 -12.681) 17.827 7.016 ( 12.034 3.488 -12.681) 17.827 7.788 ( -10.157 -21.755 17.714) 29.837 7.788 ( -10.157 21.755 17.714) 29.837 8.154 ( 0.971 -20.648 0.029) 20.671 8.154 ( 0.971 20.648 0.029) 20.671 8.630 ( 10.781 -4.594 -7.299) 13.806 8.630 ( 10.781 4.594 -7.299) 13.806 9.721 ( 17.066 -9.787 -5.886) 20.535 9.721 ( 17.066 9.787 -5.886) 20.535 10.572 ( 2.938 -1.685 -5.191) 6.198 10.572 ( 2.938 1.685 -5.191) 6.198 10.924 ( -0.051 -2.113 -5.997) 6.358 10.924 ( -0.051 2.113 -5.997) 6.358 11.686 ( -10.404 -15.904 -6.223) 19.998 11.686 ( -10.404 15.904 -6.223) 19.998 13.073 ( 5.342 -13.428 7.224) 16.157 13.073 ( 5.342 13.428 7.224) 16.157 13.610 ( -4.685 -0.981 6.565) 8.125 13.610 ( -4.685 0.981 6.565) 8.125 15.504 ( -4.799 -7.873 -3.003) 9.697 15.504 ( -4.799 7.873 -3.003) 9.697 16.795 ( 13.296 -2.132 4.334) 14.146 16.795 ( 13.296 2.132 4.334) 14.146 18.546 ( -11.759 -4.677 -3.275) 13.072 18.546 ( -11.759 4.677 -3.275) 13.072 ======================= Grid point 295 (160/205) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 3.994 -16.871 -0.028) 17.337 2.192 ( 3.994 16.871 -0.028) 17.337 2.573 ( -14.337 -13.732 -6.296) 20.827 2.573 ( -14.337 13.732 -6.296) 20.827 3.521 ( -9.131 -16.191 6.154) 19.580 3.521 ( -9.131 16.191 6.154) 19.580 4.159 ( 1.093 -5.618 0.934) 5.799 4.159 ( 1.093 5.618 0.934) 5.799 4.464 ( 3.980 -8.196 -6.392) 11.130 4.464 ( 3.980 8.196 -6.392) 11.130 5.204 ( -7.242 -6.847 8.918) 13.374 5.204 ( -7.242 6.847 8.918) 13.374 5.697 ( 1.700 -10.560 12.607) 16.533 5.697 ( 1.700 10.560 12.607) 16.533 6.682 ( -2.395 -9.443 -3.438) 10.331 6.682 ( -2.395 9.443 -3.438) 10.331 7.177 ( 11.483 -12.839 -4.205) 17.731 7.177 ( 11.483 12.839 -4.205) 17.731 7.716 ( -11.095 -20.246 13.189) 26.588 7.716 ( -11.095 20.246 13.189) 26.588 8.208 ( 4.687 -14.661 0.269) 15.394 8.208 ( 4.687 14.661 0.269) 15.394 8.806 ( 13.086 -6.899 -8.030) 16.833 8.806 ( 13.086 6.899 -8.030) 16.833 9.807 ( -0.281 -10.755 -9.378) 14.273 9.807 ( -0.281 10.755 -9.378) 14.273 10.408 ( -9.772 -3.756 -10.491) 14.821 10.408 ( -9.772 3.756 -10.491) 14.821 10.893 ( 2.493 -3.838 -6.697) 8.111 10.893 ( 2.493 3.838 -6.697) 8.111 11.676 ( 7.472 -10.229 2.256) 12.867 11.676 ( 7.472 10.229 2.256) 12.867 13.153 ( -1.983 -6.844 4.972) 8.689 13.153 ( -1.983 6.844 4.972) 8.689 13.586 ( -2.371 -1.957 5.251) 6.085 13.586 ( -2.371 1.957 5.251) 6.085 15.397 ( -3.989 -7.207 -2.646) 8.652 15.397 ( -3.989 7.207 -2.646) 8.652 17.044 ( 8.533 -3.461 3.087) 9.712 17.044 ( 8.533 3.461 3.087) 9.712 18.316 ( -8.416 -4.662 -2.733) 10.001 18.316 ( -8.416 4.662 -2.733) 10.001 ======================= Grid point 324 (161/205) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -4.805 0.000 11.763) 12.706 1.917 ( 6.410 0.000 -5.871) 8.692 2.720 ( 17.442 0.000 15.160) 23.109 2.918 ( -21.194 0.000 -6.665) 22.218 3.926 ( -2.231 0.000 7.967) 8.274 3.941 ( 2.298 0.000 6.678) 7.062 4.007 ( 3.482 0.000 -3.746) 5.114 4.014 ( 2.765 0.000 0.275) 2.779 4.328 ( -1.506 0.000 2.662) 3.059 4.445 ( -1.817 0.000 -8.438) 8.631 4.812 ( 18.489 0.000 29.663) 34.953 5.327 ( -10.369 0.000 -20.636) 23.094 5.582 ( -1.916 0.000 10.750) 10.919 5.655 ( -2.074 0.000 -0.061) 2.075 6.536 ( -8.903 0.000 8.519) 12.323 6.749 ( -1.484 0.000 8.762) 8.887 6.941 ( 5.787 0.000 -4.555) 7.365 6.961 ( 5.568 0.000 -26.706) 27.281 7.669 ( 11.628 0.000 4.168) 12.352 7.787 ( -14.359 0.000 -7.369) 16.139 8.187 ( -6.998 0.000 15.725) 17.212 8.536 ( 6.214 0.000 -14.587) 15.855 8.681 ( 7.639 0.000 -0.168) 7.641 8.735 ( -3.618 0.000 -10.688) 11.284 9.681 ( -4.044 0.000 1.547) 4.330 9.727 ( 2.332 0.000 -3.129) 3.902 10.678 ( -8.050 0.000 5.254) 9.613 10.785 ( 8.381 0.000 -5.132) 9.827 11.259 ( 0.137 0.000 5.603) 5.605 11.355 ( 4.894 0.000 -4.132) 6.405 11.491 ( -4.707 0.000 8.924) 10.089 11.688 ( 3.852 0.000 -10.559) 11.239 12.901 ( -8.285 0.000 11.776) 14.398 13.089 ( 3.908 0.000 -6.884) 7.916 13.531 ( 4.075 0.000 2.198) 4.630 13.545 ( -5.384 0.000 0.727) 5.433 15.236 ( 1.669 0.000 11.065) 11.190 15.439 ( -3.128 0.000 -10.040) 10.516 17.199 ( 8.767 0.000 6.342) 10.820 17.335 ( -14.328 0.000 -7.519) 16.181 18.182 ( -17.381 0.000 3.543) 17.738 18.248 ( 23.522 0.000 -3.228) 23.742 ======================= Grid point 325 (162/205) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 13.884 0.000 4.529) 14.604 2.173 ( 24.535 0.000 -7.476) 25.648 2.541 ( -10.972 0.000 -5.912) 12.463 3.213 ( 20.434 0.000 14.326) 24.956 3.819 ( -10.918 0.000 -5.498) 12.224 3.825 ( -10.455 0.000 1.688) 10.591 3.973 ( -4.150 0.000 -4.794) 6.341 4.076 ( 2.408 0.000 0.425) 2.445 4.438 ( 5.687 0.000 6.348) 8.523 4.480 ( 8.476 0.000 -3.304) 9.097 4.825 ( -13.221 0.000 -33.295) 35.824 5.325 ( 10.109 0.000 18.143) 20.769 5.664 ( 2.504 0.000 11.724) 11.989 5.674 ( 1.973 0.000 -0.756) 2.113 6.473 ( -7.723 0.000 16.787) 18.479 6.759 ( -4.534 0.000 6.311) 7.771 6.879 ( 7.449 0.000 -18.967) 20.377 6.956 ( 1.720 0.000 -10.460) 10.601 7.542 ( -6.758 0.000 -0.125) 6.759 7.988 ( 15.818 0.000 6.428) 17.074 8.138 ( -11.361 0.000 15.642) 19.333 8.413 ( -10.803 0.000 -5.087) 11.941 8.616 ( 5.623 0.000 -19.878) 20.658 8.782 ( 3.981 0.000 2.095) 4.498 9.734 ( 6.267 0.000 4.811) 7.901 9.848 ( 9.052 0.000 -1.588) 9.190 10.497 ( -15.580 0.000 4.482) 16.212 10.868 ( 4.933 0.000 -6.002) 7.769 10.998 ( -24.712 0.000 3.988) 25.032 11.240 ( -5.781 0.000 -10.946) 12.379 11.649 ( 7.864 0.000 6.060) 9.928 11.728 ( 6.421 0.000 -6.008) 8.793 12.837 ( -10.683 0.000 14.169) 17.745 13.090 ( 2.542 0.000 -4.402) 5.083 13.508 ( -0.611 0.000 0.962) 1.140 13.728 ( 14.474 0.000 0.789) 14.496 15.291 ( -3.830 0.000 -9.253) 10.014 15.362 ( 1.435 0.000 12.090) 12.175 17.029 ( -12.655 0.000 -2.317) 12.866 17.288 ( -11.346 0.000 7.598) 13.655 18.007 ( 2.146 0.000 1.926) 2.884 18.625 ( 20.597 0.000 -8.404) 22.245 ======================= Grid point 326 (163/205) ======================= q-point: ( 0.22 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.684 0.000 -3.440) 3.508 2.535 ( 13.520 0.000 -5.275) 14.512 2.549 ( 15.710 0.000 -6.416) 16.970 3.517 ( -15.200 0.000 -6.005) 16.344 3.581 ( -1.877 0.000 -8.597) 8.800 3.684 ( 8.744 0.000 5.834) 10.511 3.869 ( -4.825 0.000 0.933) 4.914 4.106 ( 0.537 0.000 0.634) 0.831 4.218 ( -10.892 0.000 -21.262) 23.890 4.596 ( 5.756 0.000 5.254) 7.794 4.814 ( 19.385 0.000 -5.590) 20.175 5.449 ( -0.667 0.000 -0.653) 0.933 5.690 ( 2.748 0.000 -5.702) 6.329 5.845 ( -2.436 0.000 22.141) 22.274 6.563 ( 3.108 0.000 12.237) 12.626 6.709 ( -3.841 0.000 4.163) 5.664 6.853 ( 1.249 0.000 -14.135) 14.190 6.923 ( 12.348 0.000 -16.788) 20.840 7.538 ( -0.242 0.000 11.126) 11.129 8.074 ( -9.765 0.000 19.735) 22.019 8.122 ( -13.222 0.000 -3.565) 13.694 8.327 ( 12.808 0.000 2.088) 12.977 8.606 ( 10.981 0.000 -16.276) 19.635 8.900 ( 5.723 0.000 4.275) 7.144 9.802 ( -20.211 0.000 1.782) 20.289 9.940 ( 7.996 0.000 8.774) 11.871 10.314 ( 0.201 0.000 -0.269) 0.336 10.422 ( -36.133 0.000 2.760) 36.239 10.931 ( 5.976 0.000 -8.943) 10.756 11.035 ( -4.406 0.000 -14.619) 15.268 11.810 ( 6.177 0.000 0.300) 6.184 11.833 ( 8.233 0.000 -0.882) 8.280 12.735 ( -12.690 0.000 14.513) 19.278 13.137 ( 2.689 0.000 2.255) 3.510 13.499 ( -1.735 0.000 2.486) 3.032 14.029 ( 17.537 0.000 -4.356) 18.070 15.150 ( -3.656 0.000 -6.579) 7.527 15.492 ( 1.294 0.000 12.419) 12.486 16.812 ( -9.629 0.000 -0.811) 9.663 16.926 ( -23.780 0.000 -2.972) 23.964 18.266 ( 14.455 0.000 10.859) 18.080 18.887 ( 15.774 0.000 -9.966) 18.658 ======================= Grid point 327 (164/205) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 4.045 0.000 -3.448) 5.315 2.526 ( -8.790 0.000 -8.777) 12.421 2.735 ( 13.289 0.000 -12.531) 18.265 3.183 ( -16.745 0.000 2.113) 16.878 3.433 ( -7.441 0.000 -7.439) 10.522 3.556 ( -7.447 0.000 -22.890) 24.071 3.865 ( 4.705 0.000 1.287) 4.878 4.111 ( -0.889 0.000 1.073) 1.393 4.277 ( 13.129 0.000 9.154) 16.005 4.728 ( 4.283 0.000 1.845) 4.663 5.130 ( 14.655 0.000 -3.192) 14.999 5.385 ( -3.216 0.000 -3.743) 4.935 5.716 ( 6.333 0.000 -4.883) 7.997 5.930 ( -10.026 0.000 30.769) 32.361 6.549 ( -3.293 0.000 -14.562) 14.930 6.704 ( 0.932 0.000 -1.238) 1.550 7.012 ( 19.556 0.000 1.283) 19.598 7.086 ( 21.618 0.000 -16.508) 27.200 7.628 ( -3.735 0.000 15.173) 15.626 7.887 ( -6.487 0.000 -5.233) 8.335 8.134 ( -2.458 0.000 22.336) 22.471 8.435 ( 5.812 0.000 -13.675) 14.859 8.820 ( 15.265 0.000 1.257) 15.317 9.028 ( -4.066 0.000 7.238) 8.302 9.296 ( -22.883 0.000 0.050) 22.883 9.715 ( -39.567 0.000 2.191) 39.627 10.141 ( 4.431 0.000 9.781) 10.738 10.386 ( 5.448 0.000 -3.373) 6.407 10.830 ( -4.822 0.000 -12.410) 13.314 10.941 ( 3.179 0.000 -10.383) 10.859 11.901 ( 6.432 0.000 -5.061) 8.184 12.003 ( 8.019 0.000 0.674) 8.048 12.624 ( -10.298 0.000 13.981) 17.364 13.139 ( -6.975 0.000 3.028) 7.604 13.551 ( 2.926 0.000 10.320) 10.727 14.264 ( 13.916 0.000 -13.378) 19.304 15.075 ( -0.412 0.000 0.678) 0.793 15.596 ( -2.356 0.000 11.357) 11.598 16.484 ( -14.788 0.000 -9.162) 17.397 16.633 ( -8.931 0.000 -1.099) 8.998 18.615 ( 9.454 0.000 15.110) 17.823 19.063 ( 12.139 0.000 -10.657) 16.153 ======================= Grid point 328 (165/205) ======================= q-point: ( 0.44 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 5.324 0.000 -7.281) 9.020 2.254 ( -9.499 0.000 -7.229) 11.937 2.780 ( -2.179 0.000 1.925) 2.907 3.062 ( 4.268 0.000 1.464) 4.512 3.125 ( -16.333 0.000 -6.496) 17.577 3.304 ( -3.549 0.000 -13.715) 14.167 3.995 ( 6.839 0.000 -0.575) 6.863 4.084 ( -3.020 0.000 0.729) 3.107 4.580 ( 10.042 0.000 6.601) 12.018 4.761 ( -1.458 0.000 -1.094) 1.823 5.265 ( 5.524 0.000 -5.594) 7.862 5.282 ( -5.426 0.000 -0.653) 5.465 5.858 ( 6.861 0.000 5.452) 8.764 6.043 ( -4.861 0.000 30.382) 30.769 6.319 ( -7.694 0.000 -14.104) 16.066 6.672 ( 2.896 0.000 -15.174) 15.448 7.370 ( 8.276 0.000 8.229) 11.671 7.472 ( 26.437 0.000 -10.225) 28.345 7.644 ( -6.344 0.000 13.378) 14.806 7.815 ( 5.099 0.000 -8.574) 9.976 8.327 ( 2.386 0.000 14.267) 14.465 8.379 ( 0.326 0.000 -10.944) 10.949 8.611 ( -20.099 0.000 1.908) 20.189 9.015 ( -12.360 0.000 -11.223) 16.695 9.140 ( -3.177 0.000 12.158) 12.566 9.308 ( 7.537 0.000 -1.212) 7.634 10.258 ( -0.283 0.000 8.569) 8.574 10.418 ( 1.849 0.000 -5.801) 6.089 10.688 ( -2.582 0.000 -2.182) 3.380 10.866 ( -1.488 0.000 -10.748) 10.851 11.995 ( 7.790 0.000 -4.630) 9.062 12.038 ( -7.633 0.000 4.220) 8.721 12.671 ( 5.849 0.000 9.171) 10.878 12.962 ( -11.182 0.000 0.218) 11.184 13.734 ( 2.597 0.000 17.088) 17.285 14.293 ( 5.040 0.000 -21.815) 22.389 15.182 ( 7.543 0.000 8.718) 11.528 15.524 ( -11.970 0.000 3.615) 12.504 16.313 ( 3.030 0.000 -4.708) 5.599 16.448 ( -9.529 0.000 -1.563) 9.656 18.844 ( 1.230 0.000 14.957) 15.008 19.160 ( 8.115 0.000 -12.372) 14.796 ======================= Grid point 329 (166/205) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -2.715 0.000 -1.794) 3.254 2.169 ( 1.317 0.000 0.236) 1.338 2.757 ( -19.666 0.000 2.488) 19.823 2.867 ( 3.619 0.000 17.155) 17.532 3.208 ( 4.733 0.000 -11.307) 12.258 3.232 ( 11.350 0.000 -3.072) 11.758 4.001 ( -5.994 0.000 -0.240) 5.998 4.085 ( 3.082 0.000 -0.271) 3.094 4.654 ( -8.358 0.000 -2.106) 8.620 4.742 ( 4.011 0.000 1.326) 4.225 5.190 ( -4.470 0.000 2.036) 4.912 5.311 ( 3.800 0.000 -3.606) 5.238 5.974 ( -18.191 0.000 -3.796) 18.583 6.032 ( 3.261 0.000 13.329) 13.722 6.275 ( 1.860 0.000 22.602) 22.678 6.589 ( 6.866 0.000 -24.700) 25.637 7.299 ( -19.908 0.000 7.354) 21.223 7.519 ( -17.924 0.000 -6.632) 19.112 7.646 ( -4.174 0.000 11.606) 12.334 7.842 ( 4.767 0.000 -6.912) 8.397 8.202 ( -7.493 0.000 4.826) 8.913 8.565 ( 25.861 0.000 -7.188) 26.841 8.757 ( 7.510 0.000 -15.164) 16.921 8.845 ( 20.124 0.000 6.404) 21.119 9.273 ( 2.814 0.000 0.827) 2.933 9.386 ( 9.203 0.000 -12.130) 15.226 10.284 ( -3.517 0.000 7.712) 8.476 10.390 ( 0.574 0.000 -4.888) 4.921 10.695 ( 0.279 0.000 6.667) 6.672 10.743 ( -2.377 0.000 -7.017) 7.409 11.863 ( -14.274 0.000 9.080) 16.917 12.071 ( 0.282 0.000 0.179) 0.334 12.796 ( -2.874 0.000 -3.589) 4.598 12.921 ( 12.521 0.000 4.242) 13.220 13.897 ( -1.968 0.000 19.038) 19.139 14.120 ( -2.678 0.000 -23.048) 23.203 15.290 ( -11.444 0.000 -1.963) 11.611 15.475 ( 14.459 0.000 9.270) 17.175 16.261 ( -8.696 0.000 0.250) 8.699 16.429 ( 8.964 0.000 0.163) 8.966 18.915 ( -5.869 0.000 12.945) 14.213 19.142 ( 1.766 0.000 -15.633) 15.732 ======================= Grid point 330 (167/205) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -2.534 0.000 -0.278) 2.550 2.282 ( 2.733 0.000 16.047) 16.278 2.489 ( -14.308 0.000 12.324) 18.884 3.143 ( 6.904 0.000 18.572) 19.814 3.280 ( 10.291 0.000 -6.655) 12.256 3.353 ( 1.952 0.000 0.772) 2.099 3.888 ( -3.673 0.000 -0.545) 3.714 4.110 ( -0.319 0.000 0.456) 0.557 4.421 ( -12.570 0.000 -5.170) 13.591 4.774 ( 0.467 0.000 -3.069) 3.105 5.109 ( -8.853 0.000 -0.072) 8.853 5.341 ( 1.085 0.000 0.218) 1.106 5.579 ( -20.734 0.000 8.360) 22.356 6.202 ( 1.450 0.000 14.602) 14.674 6.494 ( 2.483 0.000 17.101) 17.280 6.520 ( 6.684 0.000 -24.635) 25.526 6.980 ( -12.377 0.000 -2.470) 12.621 7.046 ( -19.654 0.000 -2.223) 19.779 7.717 ( 1.596 0.000 13.212) 13.308 7.884 ( 5.085 0.000 -10.031) 11.246 8.178 ( -2.871 0.000 8.783) 9.241 8.584 ( 4.509 0.000 -22.166) 22.620 8.947 ( -7.377 0.000 -8.503) 11.258 9.190 ( 4.366 0.000 -10.048) 10.955 9.342 ( 30.981 0.000 -5.038) 31.388 9.743 ( 32.323 0.000 -1.938) 32.381 10.275 ( -4.295 0.000 7.937) 9.024 10.340 ( 0.267 0.000 -9.418) 9.422 10.696 ( 0.532 0.000 1.347) 1.448 10.761 ( -1.357 0.000 8.686) 8.792 11.724 ( -9.229 0.000 13.020) 15.959 11.978 ( -10.351 0.000 3.000) 10.777 12.818 ( 8.133 0.000 -6.202) 10.228 13.155 ( 8.476 0.000 1.186) 8.559 13.833 ( -7.932 0.000 -19.274) 20.843 13.961 ( -7.629 0.000 16.806) 18.457 15.106 ( -6.071 0.000 -1.050) 6.161 15.764 ( 7.627 0.000 -4.688) 8.952 16.255 ( 8.890 0.000 13.548) 16.205 16.609 ( 9.135 0.000 1.109) 9.202 18.854 ( -10.859 0.000 10.990) 15.450 18.944 ( -7.824 0.000 -18.817) 20.379 ======================= Grid point 331 (168/205) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -2.153 0.000 4.625) 5.102 2.355 ( -16.063 0.000 14.748) 21.807 2.371 ( -10.844 0.000 11.269) 15.639 3.287 ( -0.740 0.000 24.130) 24.141 3.469 ( 12.622 0.000 -0.395) 12.628 3.539 ( 8.962 0.000 8.850) 12.595 3.858 ( -3.226 0.000 2.293) 3.958 4.091 ( -2.341 0.000 1.345) 2.699 4.151 ( -5.901 0.000 -7.215) 9.321 4.714 ( -2.100 0.000 -6.939) 7.249 4.786 ( -19.799 0.000 -1.050) 19.827 5.377 ( 1.199 0.000 3.968) 4.145 5.468 ( -5.141 0.000 15.314) 16.153 6.164 ( -10.029 0.000 -9.191) 13.604 6.511 ( 0.715 0.000 14.477) 14.495 6.631 ( -0.968 0.000 11.096) 11.138 6.824 ( -0.826 0.000 -5.443) 5.506 6.902 ( 10.760 0.000 -17.160) 20.255 7.806 ( -2.666 0.000 -15.676) 15.901 7.924 ( 5.705 0.000 16.779) 17.722 8.219 ( 0.043 0.000 6.613) 6.613 8.496 ( 6.749 0.000 -20.999) 22.057 8.644 ( -11.982 0.000 -13.275) 17.883 9.043 ( -3.656 0.000 -11.888) 12.437 9.846 ( 13.795 0.000 -2.180) 13.966 10.068 ( -5.968 0.000 -2.889) 6.631 10.314 ( 10.185 0.000 -0.423) 10.194 10.505 ( 32.445 0.000 -6.662) 33.122 10.775 ( -3.691 0.000 7.317) 8.195 10.789 ( 4.058 0.000 10.000) 10.792 11.724 ( -2.489 0.000 9.887) 10.195 11.792 ( -11.286 0.000 3.467) 11.807 12.937 ( 9.193 0.000 -6.497) 11.257 13.191 ( -5.384 0.000 -2.966) 6.147 13.582 ( -4.122 0.000 -7.634) 8.676 13.884 ( -12.223 0.000 10.190) 15.914 15.055 ( -0.804 0.000 3.938) 4.019 15.708 ( -2.206 0.000 -10.008) 10.248 16.785 ( 29.643 0.000 12.413) 32.137 16.788 ( 9.029 0.000 1.255) 9.115 18.539 ( -17.853 0.000 -17.624) 25.086 18.700 ( -14.422 0.000 9.517) 17.279 ======================= Grid point 332 (169/205) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -27.829 0.000 12.543) 30.525 1.987 ( -6.941 0.000 0.725) 6.979 2.367 ( 4.704 0.000 13.066) 13.887 3.389 ( -20.827 0.000 -5.794) 21.618 3.650 ( 11.771 0.000 22.513) 25.404 3.729 ( 12.718 0.000 3.435) 13.174 3.924 ( 3.776 0.000 7.212) 8.141 4.046 ( -3.757 0.000 1.814) 4.172 4.276 ( 15.091 0.000 13.759) 20.422 4.472 ( -12.778 0.000 0.299) 12.782 4.590 ( -3.836 0.000 -8.942) 9.730 5.439 ( 1.294 0.000 2.691) 2.986 5.525 ( -2.788 0.000 13.724) 14.004 5.862 ( -11.322 0.000 -10.579) 15.495 6.626 ( -6.366 0.000 6.178) 8.871 6.662 ( -0.369 0.000 16.413) 16.417 6.851 ( 6.098 0.000 -3.162) 6.869 7.009 ( 17.286 0.000 -29.853) 34.496 7.595 ( -4.466 0.000 -7.040) 8.337 8.117 ( -5.594 0.000 11.237) 12.553 8.149 ( -9.304 0.000 -0.019) 9.304 8.497 ( 9.128 0.000 -2.930) 9.586 8.501 ( 10.214 0.000 -17.721) 20.453 8.886 ( -2.889 0.000 -11.145) 11.513 9.817 ( -9.371 0.000 1.754) 9.534 9.846 ( -9.128 0.000 -6.138) 11.000 10.607 ( 16.987 0.000 -6.706) 18.262 10.744 ( -4.655 0.000 6.151) 7.714 11.016 ( 10.262 0.000 11.334) 15.290 11.067 ( 26.180 0.000 -2.732) 26.322 11.623 ( -10.787 0.000 5.316) 12.025 11.735 ( -0.998 0.000 -1.387) 1.709 13.004 ( -10.362 0.000 3.111) 10.819 13.039 ( 7.180 0.000 -6.543) 9.714 13.514 ( -1.687 0.000 -0.005) 1.687 13.702 ( -11.937 0.000 3.474) 12.432 15.120 ( 1.510 0.000 8.606) 8.738 15.576 ( -2.598 0.000 -10.158) 10.485 16.979 ( 9.819 0.000 2.491) 10.130 17.398 ( 23.587 0.000 -2.545) 23.724 18.082 ( -12.734 0.000 -6.787) 14.429 18.472 ( -17.367 0.000 7.582) 18.950 ======================= Grid point 333 (170/205) ======================= q-point: ( 0.00 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -3.312 5.095 11.553) 13.054 1.973 ( 4.500 5.322 -6.326) 9.412 2.564 ( 10.378 -12.031 19.670) 25.285 2.856 ( -13.655 -6.534 -10.988) 18.705 3.797 ( 9.510 -11.091 4.819) 15.384 3.934 ( -5.947 -7.613 -7.947) 12.509 4.015 ( -4.914 3.211 5.209) 7.848 4.079 ( 3.838 7.169 0.834) 8.174 4.291 ( 6.898 0.042 10.036) 12.178 4.483 ( -3.343 3.823 -8.416) 9.830 5.039 ( 13.978 17.708 23.061) 32.261 5.418 ( -6.363 5.816 -10.222) 13.372 5.588 ( -1.503 1.095 6.067) 6.345 5.623 ( -4.562 -0.810 -1.958) 5.030 6.469 ( -5.521 -3.863 11.517) 13.343 6.796 ( 3.939 -3.349 -15.804) 16.628 6.884 ( -7.067 6.158 8.639) 12.748 7.088 ( 8.854 4.967 -12.936) 16.444 7.615 ( 7.455 -1.751 5.149) 9.228 7.751 ( -13.222 -2.689 -8.456) 15.923 8.288 ( -2.401 7.399 8.849) 11.782 8.463 ( 8.767 -4.572 -2.674) 10.243 8.691 ( -6.845 -3.832 -4.785) 9.189 8.790 ( 7.018 6.981 -13.390) 16.652 9.651 ( 0.341 -2.612 2.061) 3.345 9.711 ( -2.079 -1.616 -4.073) 4.850 10.667 ( -6.224 -1.352 3.316) 7.181 10.723 ( 6.081 -6.511 -1.562) 9.045 11.163 ( -11.088 -14.557 4.001) 18.731 11.228 ( 11.919 -12.357 -1.758) 17.258 11.458 ( 7.865 1.821 5.933) 10.018 11.630 ( -5.047 0.455 -10.489) 11.649 13.038 ( -13.829 10.217 11.817) 20.863 13.217 ( 11.992 8.796 -6.076) 16.065 13.507 ( -1.821 -1.299 3.501) 4.154 13.555 ( -0.660 1.324 -1.660) 2.223 15.225 ( 2.071 -0.725 10.247) 10.480 15.412 ( -3.764 -2.309 -9.253) 10.252 17.189 ( 8.468 -0.854 5.465) 10.115 17.301 ( -13.487 -2.934 -5.855) 14.993 18.182 ( -11.277 -0.052 3.599) 11.837 18.256 ( 16.658 0.489 -3.988) 17.136 ======================= Grid point 334 (171/205) ======================= q-point: ( 0.11 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 13.130 1.947 2.716) 13.549 2.238 ( 21.698 5.849 -4.897) 23.000 2.475 ( -6.522 -5.495 -6.052) 10.458 3.086 ( 19.732 -10.910 13.492) 26.276 3.708 ( -8.005 -8.155 -10.620) 15.600 3.914 ( -6.105 3.649 6.773) 9.821 3.969 ( -2.259 -0.053 -1.131) 2.527 4.135 ( 3.057 3.751 -1.238) 4.995 4.338 ( 0.732 -3.155 -6.995) 7.709 4.489 ( 4.142 0.770 1.161) 4.370 5.050 ( -9.130 17.240 -23.174) 30.292 5.433 ( 5.905 7.770 11.572) 15.138 5.625 ( 3.652 -4.039 7.058) 8.914 5.667 ( 2.738 1.563 4.887) 5.816 6.474 ( -6.141 0.346 18.363) 19.366 6.736 ( 4.782 -6.862 -17.848) 19.710 6.785 ( -9.270 2.226 6.921) 11.780 7.127 ( 4.505 9.235 -9.257) 13.830 7.504 ( -6.488 -3.495 0.164) 7.371 7.847 ( 4.883 -3.841 11.342) 12.932 8.280 ( -1.644 3.089 -1.205) 3.701 8.490 ( -8.349 8.547 5.988) 13.364 8.547 ( 4.343 -5.363 -13.655) 15.300 8.814 ( 5.163 2.145 -5.632) 7.936 9.685 ( 4.074 -3.899 1.235) 5.773 9.848 ( 11.318 -0.899 1.995) 11.527 10.519 ( -12.389 1.646 3.049) 12.864 10.767 ( -7.048 -11.230 0.787) 13.282 10.920 ( -9.049 -3.954 -2.567) 10.203 11.275 ( -13.093 -2.714 -8.462) 15.824 11.392 ( 7.630 -15.745 -2.285) 17.645 11.755 ( 10.501 2.068 2.821) 11.068 12.844 ( -16.039 0.927 11.478) 19.744 13.273 ( 1.054 13.735 -3.515) 14.216 13.591 ( 3.281 6.877 1.483) 7.762 13.685 ( 15.657 -3.437 -0.565) 16.039 15.260 ( -4.339 -2.558 -7.778) 9.266 15.356 ( 1.917 -0.615 11.127) 11.308 17.012 ( -12.753 -1.374 -1.413) 12.904 17.272 ( -10.103 -1.675 6.742) 12.261 18.025 ( 1.818 1.813 1.295) 2.876 18.603 ( 19.635 -2.239 -7.412) 21.107 ======================= Grid point 335 (172/205) ======================= q-point: ( 0.22 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 2.479 3.201 -4.549) 6.089 2.436 ( 14.832 -3.139 -3.780) 15.625 2.655 ( 15.393 3.779 -7.458) 17.517 3.472 ( -6.046 -3.788 -8.330) 10.968 3.527 ( 8.096 -7.895 9.199) 14.577 3.731 ( -6.054 7.568 -6.394) 11.611 3.885 ( -6.097 0.438 0.167) 6.115 4.116 ( -3.082 3.193 -10.825) 11.699 4.259 ( -4.711 1.835 -2.885) 5.821 4.566 ( 10.220 -1.340 -0.095) 10.308 4.954 ( 11.223 12.286 -7.237) 18.146 5.475 ( -1.194 0.941 -1.571) 2.186 5.680 ( 1.091 0.109 -3.974) 4.122 5.853 ( 2.782 0.241 16.028) 16.270 6.528 ( -4.639 -3.618 6.540) 8.797 6.679 ( -2.395 -3.914 5.534) 7.189 6.739 ( 8.558 -1.053 -7.350) 11.330 7.127 ( 4.832 10.843 -8.201) 14.428 7.496 ( -0.037 -4.317 8.432) 9.473 7.888 ( -8.772 -5.465 9.325) 13.920 8.176 ( -6.459 -0.657 -0.401) 6.505 8.516 ( 6.333 3.136 -16.492) 17.942 8.567 ( 8.779 6.516 7.333) 13.165 8.905 ( 6.110 -0.585 1.049) 6.227 9.721 ( -7.953 -5.116 1.702) 9.608 10.021 ( -0.249 3.858 9.941) 10.666 10.266 ( -19.318 -5.219 -0.613) 20.020 10.430 ( -13.507 3.041 2.097) 14.003 10.842 ( -2.398 -7.577 -10.701) 13.329 11.040 ( 0.064 -1.253 -9.829) 9.909 11.519 ( 8.093 -16.507 -2.027) 18.495 11.969 ( 9.127 2.903 4.444) 10.559 12.640 ( -15.415 -4.662 10.270) 19.101 13.299 ( 2.648 11.693 2.399) 12.227 13.624 ( -1.903 9.903 2.232) 10.328 13.986 ( 17.439 -3.615 -6.211) 18.861 15.128 ( -3.390 -1.478 -4.760) 6.028 15.489 ( 1.890 -0.553 11.707) 11.871 16.795 ( -10.097 -1.305 -0.026) 10.181 16.939 ( -22.518 0.893 -2.416) 22.665 18.263 ( 14.185 -0.033 9.231) 16.924 18.861 ( 15.202 -2.663 -8.795) 17.763 ======================= Grid point 336 (173/205) ======================= q-point: ( 0.33 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 6.301 5.805 -5.871) 10.386 2.576 ( -3.615 4.116 -4.977) 7.402 2.758 ( 11.526 2.004 -11.883) 16.676 3.187 ( -16.656 0.555 -0.582) 16.675 3.470 ( -5.520 1.463 -7.456) 9.392 3.544 ( -10.716 -0.291 -18.999) 21.814 3.880 ( 3.581 0.680 4.734) 5.975 4.096 ( 4.824 1.811 -1.028) 5.255 4.306 ( 7.369 1.968 7.571) 10.747 4.743 ( 5.428 1.194 1.757) 5.829 5.169 ( 12.373 4.484 -5.097) 14.114 5.422 ( -2.122 2.721 -3.140) 4.665 5.651 ( -0.218 -3.966 0.262) 3.981 6.021 ( 0.905 5.683 18.904) 19.761 6.403 ( -3.464 -9.776 -12.102) 15.938 6.697 ( 1.588 -1.447 3.213) 3.866 7.049 ( 20.351 3.059 1.974) 20.674 7.208 ( 13.140 9.061 -9.128) 18.387 7.576 ( -0.844 -6.529 10.284) 12.211 7.778 ( -4.128 -5.799 -1.036) 7.193 8.128 ( -3.999 0.227 14.056) 14.616 8.479 ( 5.521 -0.075 -18.648) 19.448 8.816 ( 10.402 1.951 3.688) 11.208 8.989 ( -5.805 -4.369 4.189) 8.387 9.359 ( -22.717 3.890 1.486) 23.095 9.704 ( -33.251 -0.592 3.864) 33.480 10.121 ( 3.008 -1.119 6.863) 7.577 10.429 ( 4.303 3.243 -2.958) 6.147 10.694 ( -2.465 -7.527 -6.433) 10.203 11.031 ( 3.909 3.403 -9.326) 10.669 11.654 ( 8.420 -16.531 -3.332) 18.849 12.156 ( 4.197 9.516 0.652) 10.421 12.471 ( -7.733 -10.829 12.365) 18.164 13.348 ( -4.128 15.358 3.318) 16.246 13.599 ( -1.460 3.601 7.084) 8.079 14.188 ( 12.006 -6.841 -14.206) 19.818 15.088 ( 1.271 1.843 2.457) 3.324 15.604 ( -0.694 0.337 10.376) 10.405 16.512 ( -14.877 2.406 -8.497) 17.301 16.618 ( -9.464 -1.101 0.104) 9.528 18.600 ( 9.919 -1.214 13.449) 16.755 19.035 ( 11.545 -2.729 -9.586) 15.252 ======================= Grid point 337 (174/205) ======================= q-point: ( 0.44 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 7.419 7.021 -9.590) 14.011 2.343 ( -11.766 7.757 -5.055) 14.972 2.839 ( -3.526 4.908 3.949) 7.219 3.027 ( 5.494 -2.034 -1.042) 5.950 3.207 ( -13.694 5.812 -6.403) 16.195 3.273 ( -4.560 -2.470 -11.859) 12.943 3.994 ( 4.827 0.140 1.522) 5.063 4.108 ( -0.800 2.859 -1.947) 3.550 4.567 ( 8.861 -0.562 8.149) 12.051 4.786 ( -0.452 1.985 -1.850) 2.750 5.262 ( 3.889 1.442 -4.508) 6.126 5.325 ( -5.124 3.173 -2.317) 6.457 5.729 ( 1.992 -7.710 11.163) 13.712 6.188 ( 0.791 -2.980 -8.573) 9.110 6.248 ( -3.083 6.615 14.308) 16.062 6.724 ( 0.583 2.773 -6.516) 7.105 7.331 ( 6.774 -2.068 5.219) 8.798 7.533 ( 20.111 3.626 -10.306) 22.887 7.634 ( -1.632 -0.333 11.038) 11.162 7.777 ( 7.767 -3.089 -6.035) 10.310 8.256 ( 2.540 -3.238 13.332) 13.953 8.406 ( 0.840 -0.873 -9.523) 9.600 8.610 ( -20.714 -0.153 1.024) 20.740 8.965 ( -14.798 -4.689 -8.642) 17.766 9.054 ( 5.109 -4.957 4.662) 8.509 9.348 ( -5.166 -0.217 -3.200) 6.080 10.248 ( 2.976 -0.091 8.568) 9.071 10.446 ( 0.923 1.333 -4.358) 4.650 10.677 ( 1.425 1.752 3.843) 4.457 10.972 ( -1.732 6.263 -10.316) 12.191 11.788 ( 5.852 -15.219 1.207) 16.350 12.019 ( -9.992 0.744 -3.985) 10.783 12.684 ( 12.436 0.096 13.221) 18.151 13.162 ( -13.166 14.946 -2.499) 20.074 13.712 ( 1.479 -2.308 14.134) 14.397 14.189 ( 3.640 -9.185 -19.464) 21.828 15.230 ( 8.133 4.684 8.824) 12.883 15.568 ( -9.396 3.543 2.426) 10.330 16.327 ( 1.933 1.333 -4.674) 5.231 16.437 ( -9.588 -0.832 -0.437) 9.634 18.829 ( 1.857 -1.401 13.724) 13.919 19.129 ( 7.413 -3.054 -11.479) 14.002 ======================= Grid point 338 (175/205) ======================= q-point: (-0.44 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -7.346 4.038 0.551) 8.401 2.294 ( 5.110 9.985 -0.876) 11.250 2.779 ( -17.076 1.853 8.946) 19.366 2.969 ( 0.011 7.551 9.140) 11.856 3.162 ( 4.758 -3.693 -10.655) 12.239 3.243 ( 11.404 1.839 -2.453) 11.809 4.020 ( -3.873 2.309 0.464) 4.533 4.098 ( 2.361 0.881 -2.318) 3.424 4.640 ( -7.981 -0.591 1.478) 8.139 4.774 ( 3.658 2.639 -1.951) 4.914 5.208 ( -5.098 1.840 0.900) 5.494 5.324 ( 4.568 1.770 -2.021) 5.299 5.826 ( -8.397 -9.278 13.017) 18.057 5.998 ( -1.936 -4.309 -8.847) 10.030 6.449 ( 2.123 12.498 20.642) 24.224 6.626 ( 0.230 2.850 -15.375) 15.639 7.318 ( -15.518 1.849 6.676) 16.994 7.473 ( -11.734 -4.320 -6.190) 13.952 7.660 ( -8.435 1.765 6.750) 10.947 7.831 ( 2.537 -0.796 -6.524) 7.045 8.172 ( -9.764 -2.670 8.028) 12.920 8.551 ( 21.160 -1.557 -8.658) 22.916 8.672 ( 6.106 -5.288 -6.268) 10.224 8.877 ( 26.191 0.176 -1.972) 26.266 9.168 ( -3.040 -9.136 -4.612) 10.676 9.331 ( 15.128 -4.811 -4.805) 16.586 10.299 ( -5.939 0.014 5.720) 8.246 10.430 ( 2.181 2.253 -4.232) 5.267 10.777 ( 1.090 7.149 8.028) 10.805 10.820 ( -3.349 6.815 -8.516) 11.410 11.694 ( -15.866 -9.512 9.117) 20.623 12.032 ( 10.867 -4.788 -4.001) 12.531 12.820 ( -13.224 4.933 1.330) 14.177 13.090 ( 14.419 9.563 2.775) 17.523 13.840 ( -2.101 -4.942 16.437) 17.292 14.031 ( -2.474 -7.745 -19.085) 20.745 15.332 ( -10.933 4.085 -0.258) 11.674 15.536 ( 13.568 5.246 4.940) 15.362 16.265 ( -7.826 0.587 1.440) 7.979 16.431 ( 8.810 0.214 -0.036) 8.813 18.898 ( -5.674 -1.520 11.825) 13.203 19.106 ( 1.240 -3.378 -14.364) 14.808 ======================= Grid point 339 (176/205) ======================= q-point: (-0.33 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -4.302 1.732 3.943) 6.087 2.416 ( 0.486 10.161 11.350) 15.241 2.522 ( -14.009 3.156 12.219) 18.855 3.119 ( 1.296 -3.273 11.237) 11.775 3.286 ( 12.967 0.261 -0.667) 12.986 3.407 ( 7.157 6.141 1.482) 9.546 3.947 ( -1.540 5.534 -1.518) 5.942 4.084 ( -3.946 -2.072 -0.529) 4.488 4.432 ( -9.986 1.078 -4.746) 11.109 4.784 ( -2.071 1.475 -2.774) 3.763 5.108 ( -8.663 0.243 1.537) 8.801 5.386 ( 1.680 4.216 0.487) 4.564 5.570 ( -17.364 -0.732 7.903) 19.092 6.065 ( 2.401 -9.471 7.956) 12.600 6.501 ( 0.372 -1.185 -15.351) 15.401 6.634 ( 2.379 8.470 11.248) 14.280 7.048 ( -11.503 6.560 2.497) 13.475 7.096 ( -18.257 4.988 -2.526) 19.094 7.650 ( 3.021 -7.263 5.792) 9.768 7.852 ( 5.633 -2.495 -10.554) 12.221 8.157 ( -4.270 -2.322 12.431) 13.348 8.476 ( -0.001 -6.171 -18.295) 19.308 8.935 ( 2.410 -2.425 -7.932) 8.638 9.087 ( 3.897 -9.288 -6.592) 12.038 9.420 ( 32.044 5.087 -4.817) 32.801 9.753 ( 28.436 -0.874 -1.578) 28.493 10.212 ( -0.662 -3.042 0.466) 3.148 10.406 ( -2.725 3.623 -3.141) 5.515 10.675 ( -3.107 1.385 -3.949) 5.212 10.861 ( -2.984 5.677 8.543) 10.682 11.522 ( -10.476 -11.595 10.134) 18.625 12.134 ( -2.399 8.995 2.317) 9.594 12.655 ( 2.258 -10.110 -5.887) 11.915 13.351 ( 7.668 12.856 2.521) 15.180 13.805 ( -5.173 -2.738 -14.278) 15.432 13.891 ( -7.126 -6.175 15.444) 18.095 15.140 ( -6.977 3.544 -1.813) 8.033 15.762 ( 4.947 -0.488 -5.325) 7.285 16.304 ( 10.815 4.495 12.580) 17.188 16.610 ( 9.453 0.204 0.669) 9.479 18.812 ( -11.588 -3.546 4.330) 12.869 18.931 ( -7.280 -1.544 -11.446) 13.652 ======================= Grid point 340 (177/205) ======================= q-point: (-0.22 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -4.714 -0.239 8.148) 9.416 2.317 ( -15.301 0.493 8.667) 17.592 2.464 ( -13.888 4.665 12.114) 19.010 3.320 ( 8.137 -2.875 17.132) 19.183 3.401 ( 2.092 3.116 8.743) 9.514 3.663 ( 8.182 5.135 -0.391) 9.668 3.923 ( -5.678 -5.288 0.641) 7.785 3.960 ( 2.434 7.629 0.056) 8.008 4.278 ( -2.190 4.993 -2.161) 5.865 4.597 ( -14.094 -4.923 -2.747) 15.180 4.918 ( -8.179 7.530 -1.567) 11.227 5.380 ( -2.091 0.065 6.459) 6.790 5.508 ( -2.435 3.976 11.223) 12.153 6.077 ( -4.982 -7.392 -5.505) 10.477 6.415 ( -2.946 -3.587 6.957) 8.363 6.749 ( 3.848 3.133 3.154) 5.880 6.881 ( 1.653 2.077 -9.329) 9.699 6.963 ( -1.453 10.697 1.078) 10.849 7.737 ( 1.015 -5.951 -15.279) 16.429 7.906 ( 9.399 -4.393 7.116) 12.581 8.184 ( -2.722 -4.269 9.658) 10.904 8.340 ( -1.840 -1.159 -10.847) 11.063 8.826 ( 1.015 5.159 -17.330) 18.110 9.010 ( -4.746 -2.478 -8.364) 9.931 9.750 ( 2.292 -5.613 -1.034) 6.151 10.191 ( 5.865 8.395 -4.579) 11.218 10.286 ( 11.741 -5.243 -3.966) 13.457 10.492 ( 23.330 1.353 -5.412) 23.988 10.672 ( 4.207 -6.788 6.732) 10.445 10.853 ( -2.744 2.263 9.063) 9.736 11.432 ( -7.900 -13.782 6.948) 17.338 12.015 ( -8.736 8.374 0.515) 12.112 12.783 ( 12.811 -9.797 -4.711) 16.801 13.340 ( -7.777 11.133 -1.908) 13.714 13.677 ( -1.067 6.714 -3.599) 7.692 13.821 ( -11.485 -5.851 10.004) 16.316 15.063 ( -1.442 1.354 2.562) 3.237 15.690 ( -2.649 -1.855 -9.190) 9.743 16.770 ( 14.416 -0.386 4.332) 15.058 16.833 ( 22.693 2.983 7.130) 23.973 18.484 ( -17.857 -4.117 -12.079) 21.949 18.714 ( -13.396 0.308 4.820) 14.240 ======================= Grid point 341 (178/205) ======================= q-point: (-0.11 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -15.883 -0.179 7.696) 17.651 2.139 ( -13.186 8.921 6.413) 17.164 2.268 ( -2.972 -7.088 13.547) 15.575 3.280 ( -18.344 -10.065 -4.928) 21.496 3.594 ( 6.998 -9.240 -1.309) 11.664 3.790 ( 14.002 9.178 20.852) 26.742 4.009 ( 2.849 3.937 -1.995) 5.253 4.040 ( -0.829 3.365 7.642) 8.391 4.274 ( -4.988 -7.226 -1.777) 8.959 4.436 ( 5.511 7.405 7.731) 12.041 4.799 ( -2.562 14.249 0.711) 14.495 5.431 ( -0.137 -0.907 7.970) 8.023 5.555 ( -2.075 1.999 9.044) 9.492 5.858 ( -8.913 0.512 -10.447) 13.742 6.458 ( -2.778 -6.567 10.832) 12.968 6.811 ( 4.238 -1.187 -5.767) 7.254 6.906 ( -3.345 10.643 8.919) 14.284 7.005 ( 13.740 -0.019 -18.171) 22.781 7.572 ( -2.451 -0.748 -8.892) 9.253 8.091 ( -10.507 -5.823 -11.679) 16.755 8.191 ( 7.219 2.149 11.766) 13.970 8.282 ( 3.550 -2.083 4.743) 6.280 8.757 ( 8.601 8.555 -18.931) 22.484 8.850 ( -4.826 -2.119 -6.861) 8.651 9.689 ( -5.249 -6.806 0.821) 8.634 9.935 ( -13.390 2.844 -6.207) 15.030 10.588 ( 10.316 -2.922 -3.287) 11.215 10.720 ( -0.638 -2.207 3.447) 4.142 10.897 ( 18.441 -8.871 2.633) 20.632 11.125 ( 19.637 0.542 4.626) 20.181 11.325 ( -8.511 -15.044 4.307) 17.813 11.843 ( -8.242 3.064 -4.305) 9.791 12.998 ( 13.648 -2.449 -4.411) 14.551 13.174 ( -9.566 13.859 5.603) 17.747 13.599 ( -7.581 4.803 2.414) 9.293 13.662 ( -8.337 -2.454 0.237) 8.694 15.113 ( 1.610 -0.213 7.414) 7.589 15.556 ( -3.147 -1.978 -9.445) 10.150 16.977 ( 9.979 -0.109 1.922) 10.163 17.367 ( 19.460 -3.071 -1.946) 19.797 18.081 ( -10.177 0.285 -5.047) 11.363 18.478 ( -16.370 0.134 5.409) 17.241 ======================= Grid point 342 (179/205) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -2.603 7.081 10.413) 12.858 2.087 ( 3.926 3.504 -5.221) 7.412 2.371 ( 5.807 -3.571 17.915) 19.168 2.690 ( -8.233 -8.527 -13.854) 18.232 3.538 ( 9.770 -13.352 6.374) 17.730 3.730 ( -7.630 -11.435 -11.244) 17.760 4.077 ( -3.579 2.372 5.982) 7.363 4.181 ( 3.304 2.431 -4.294) 5.939 4.368 ( 6.439 5.978 10.292) 13.532 4.559 ( -1.941 2.798 -8.612) 9.261 5.304 ( 5.440 2.775 11.228) 12.782 5.453 ( -3.484 -2.611 -2.455) 4.998 5.625 ( 5.599 12.170 15.149) 20.223 5.810 ( -6.927 14.012 -6.175) 16.807 6.423 ( -2.737 -0.869 11.761) 12.107 6.707 ( 2.763 -4.205 -15.689) 16.476 7.065 ( -8.726 9.681 7.629) 15.102 7.131 ( 4.822 1.719 1.872) 5.450 7.671 ( 9.912 3.698 -0.325) 10.584 7.740 ( -13.077 4.527 -8.766) 16.381 8.344 ( 5.549 -3.030 1.669) 6.539 8.425 ( 2.880 -0.184 -6.251) 6.885 8.605 ( -6.067 -2.524 8.973) 11.122 8.898 ( 5.659 2.651 -17.809) 18.874 9.589 ( 3.996 -3.170 2.283) 5.588 9.666 ( -5.772 -2.701 -5.515) 8.428 10.452 ( -1.501 -18.420 8.915) 20.519 10.610 ( -0.816 -9.562 -7.053) 11.909 10.867 ( 3.280 -12.751 1.361) 13.236 10.932 ( 0.159 -8.059 -5.227) 9.607 11.589 ( 3.497 8.993 6.898) 11.861 11.724 ( -2.742 6.639 -6.784) 9.881 13.181 ( -20.621 2.909 9.264) 22.792 13.292 ( 17.723 -1.653 -1.947) 17.906 13.531 ( -2.519 3.658 3.813) 5.853 13.619 ( 3.471 4.145 -4.927) 7.314 15.225 ( 1.973 1.066 7.753) 8.071 15.365 ( -4.468 -2.002 -6.814) 8.391 17.170 ( 6.979 -0.908 3.695) 7.949 17.236 ( -10.854 -3.127 -2.852) 11.650 18.179 ( -4.546 -0.207 3.113) 5.514 18.254 ( 8.369 -0.787 -4.559) 9.563 ======================= Grid point 343 (180/205) ======================= q-point: ( 0.11 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 11.323 4.837 1.838) 12.449 2.347 ( 0.155 1.108 -1.870) 2.179 2.400 ( 18.194 1.807 -8.166) 20.024 2.846 ( 18.162 -11.560 10.458) 23.934 3.526 ( -1.151 -8.744 -10.111) 13.417 3.811 ( 8.959 -8.781 6.129) 13.961 4.048 ( -4.137 3.530 5.087) 7.447 4.201 ( 1.828 2.686 -4.862) 5.848 4.368 ( -4.768 4.004 -9.970) 11.755 4.516 ( 0.915 1.255 1.563) 2.203 5.335 ( -2.875 4.841 -9.943) 11.426 5.493 ( 6.809 -5.036 6.447) 10.643 5.588 ( -8.545 10.644 -3.634) 14.125 5.837 ( 3.290 13.057 7.708) 15.515 6.481 ( -2.983 -0.092 15.356) 15.644 6.609 ( 0.250 -5.553 -14.266) 15.311 6.881 ( -12.151 7.477 3.936) 14.800 7.262 ( 3.363 3.848 5.089) 7.212 7.473 ( -9.086 2.781 -0.065) 9.503 7.887 ( 7.894 5.282 2.161) 9.741 8.252 ( -6.779 -3.889 -6.254) 10.009 8.443 ( 2.139 -3.518 -4.664) 6.221 8.640 ( -1.082 2.629 12.472) 12.792 8.860 ( 6.686 2.849 -16.715) 18.226 9.606 ( 2.131 -3.616 -1.643) 4.507 9.788 ( 10.858 -5.149 4.550) 12.850 10.456 ( -7.838 -14.364 7.068) 17.825 10.540 ( -0.591 -5.349 -3.501) 6.420 10.839 ( -3.335 -6.675 -3.657) 8.309 10.933 ( 2.140 -13.154 -4.189) 13.970 11.394 ( -13.874 5.492 -0.391) 14.927 11.816 ( 4.521 2.713 1.682) 5.535 12.882 ( -16.611 3.279 7.285) 18.432 13.434 ( -3.514 -1.853 3.895) 5.563 13.654 ( 19.055 4.157 -5.991) 20.402 13.746 ( 8.088 6.303 -1.604) 10.379 15.219 ( -4.918 -0.834 -3.945) 6.360 15.342 ( 1.939 -0.676 8.935) 9.168 16.990 ( -12.573 -0.451 0.154) 12.582 17.219 ( -8.565 -3.514 4.866) 10.459 18.079 ( 2.418 3.589 0.267) 4.336 18.533 ( 17.149 -4.666 -5.278) 18.539 ======================= Grid point 344 (181/205) ======================= q-point: ( 0.22 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 6.069 5.263 -5.930) 9.985 2.434 ( 17.134 2.928 -2.052) 17.503 2.677 ( 11.886 -1.521 -8.990) 14.981 3.255 ( 13.442 -14.075 7.641) 20.909 3.493 ( 0.034 2.742 -4.517) 5.284 3.841 ( -7.671 -0.545 -7.084) 10.456 3.945 ( -7.524 7.913 1.348) 11.001 4.184 ( 1.194 2.470 -4.766) 5.499 4.295 ( 0.731 2.073 -1.739) 2.803 4.560 ( 9.760 -0.061 -1.391) 9.859 5.244 ( 5.052 13.880 -10.272) 17.991 5.457 ( -4.210 -0.048 -0.571) 4.249 5.684 ( 7.236 -1.950 0.033) 7.494 5.884 ( 0.087 4.436 3.472) 5.634 6.453 ( -7.339 -3.670 -4.555) 9.385 6.574 ( -1.198 -4.989 12.230) 13.263 6.789 ( 3.130 4.355 2.698) 6.003 7.326 ( -0.187 8.981 5.038) 10.300 7.401 ( -3.478 -3.412 6.647) 8.242 7.858 ( -5.882 -0.087 -5.468) 8.032 8.189 ( -0.400 2.556 1.746) 3.121 8.418 ( 1.937 -4.581 -8.094) 9.500 8.766 ( 3.157 -0.067 9.627) 10.131 8.869 ( 7.647 1.380 -14.115) 16.113 9.634 ( -1.854 -3.488 2.115) 4.481 9.940 ( -5.144 -10.276 6.442) 13.174 10.260 ( -13.820 4.184 3.328) 14.818 10.537 ( -1.758 6.893 1.758) 7.328 10.635 ( -8.396 -12.544 -8.411) 17.280 10.968 ( 7.273 -4.742 -6.599) 10.906 11.279 ( 0.268 -6.103 2.361) 6.549 11.898 ( 2.454 -9.430 8.679) 13.049 12.687 ( -9.572 9.231 1.993) 13.446 13.444 ( 0.712 0.653 5.149) 5.238 13.823 ( 1.104 8.891 -2.516) 9.306 13.923 ( 14.753 -1.921 -9.236) 17.511 15.125 ( -2.163 1.732 -0.389) 2.799 15.461 ( 2.152 -2.263 10.340) 10.801 16.776 ( -11.046 -0.272 1.194) 11.114 16.945 ( -19.208 -0.615 -0.875) 19.237 18.280 ( 13.251 2.098 5.688) 14.572 18.778 ( 13.960 -5.513 -6.235) 16.253 ======================= Grid point 345 (182/205) ======================= q-point: ( 0.33 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 9.813 7.726 -8.757) 15.253 2.671 ( 0.905 4.708 0.607) 4.832 2.787 ( 15.545 0.990 -10.955) 19.043 3.212 ( -17.253 2.153 -6.092) 18.423 3.417 ( -3.216 -6.642 -6.102) 9.575 3.537 ( -12.944 -1.291 -8.145) 15.348 3.933 ( 2.806 5.955 3.788) 7.595 4.207 ( 4.483 6.320 -5.400) 9.445 4.350 ( 5.435 2.926 7.001) 9.334 4.779 ( 7.055 2.591 2.986) 8.087 5.314 ( 6.585 8.477 -10.346) 14.908 5.437 ( 2.259 -0.525 4.089) 4.701 5.646 ( -5.442 4.501 -3.519) 7.891 6.010 ( 9.624 -7.553 -6.295) 13.759 6.326 ( -4.547 2.502 8.109) 9.627 6.641 ( 0.975 -3.690 8.257) 9.097 7.097 ( 23.299 0.481 4.159) 23.672 7.332 ( -3.724 -4.207 4.087) 6.947 7.439 ( 4.633 3.093 5.224) 7.637 7.742 ( -2.143 1.420 -3.206) 4.110 8.181 ( -2.489 5.007 5.087) 7.559 8.392 ( 4.281 -6.861 -13.185) 15.467 8.818 ( -5.784 -9.142 3.406) 11.341 8.903 ( 7.305 0.447 -11.026) 13.234 9.374 ( -29.767 -1.660 4.605) 30.167 9.695 ( -20.542 -1.759 -0.562) 20.624 10.123 ( -0.832 1.453 3.578) 3.950 10.443 ( 0.179 -2.746 -2.447) 3.683 10.654 ( 3.993 4.877 3.273) 7.102 11.043 ( 4.766 -1.585 -6.732) 8.399 11.358 ( 5.648 -10.762 3.481) 12.642 12.152 ( 13.130 -12.502 17.262) 25.034 12.489 ( -10.426 15.176 -6.675) 19.584 13.535 ( 2.441 -0.849 8.253) 8.648 13.716 ( -9.306 9.602 -5.130) 14.322 14.034 ( 7.340 -7.405 -13.848) 17.334 15.163 ( 4.439 5.557 5.178) 8.798 15.589 ( 1.867 -2.055 9.367) 9.770 16.555 ( -12.815 1.466 -5.175) 13.898 16.611 ( -12.079 0.715 0.804) 12.127 18.582 ( 10.526 -0.144 9.460) 14.154 18.954 ( 10.438 -5.308 -7.046) 13.667 ======================= Grid point 346 (183/205) ======================= q-point: ( 0.44 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 9.293 9.240 -11.199) 17.238 2.520 ( -13.435 9.112 -1.717) 16.324 2.885 ( -12.531 -1.322 6.779) 14.308 3.040 ( 16.699 3.022 -9.932) 19.663 3.200 ( -3.619 -2.886 -11.027) 11.959 3.308 ( -12.952 1.612 0.722) 13.072 4.022 ( 2.888 3.087 3.515) 5.498 4.195 ( 0.438 4.691 -6.519) 8.043 4.589 ( 8.722 3.395 8.862) 12.889 4.832 ( -1.407 3.069 -0.381) 3.398 5.325 ( 3.342 2.847 -4.272) 6.125 5.414 ( -7.138 5.929 -1.108) 9.345 5.617 ( 0.293 -1.528 8.016) 8.166 6.002 ( 2.435 -9.881 -17.598) 20.329 6.461 ( 3.153 7.419 17.218) 19.012 6.732 ( 0.123 -1.253 3.639) 3.851 7.290 ( 2.667 -2.823 2.335) 4.531 7.571 ( 6.862 0.599 -6.842) 9.709 7.647 ( 11.694 1.402 7.018) 13.710 7.762 ( 12.869 3.531 1.250) 13.403 8.228 ( -0.080 -0.425 10.970) 10.978 8.340 ( 2.814 -4.561 -12.212) 13.336 8.590 ( -15.769 -2.333 0.076) 15.941 8.847 ( -20.406 -6.204 -3.849) 21.672 8.966 ( 5.381 -4.649 -3.146) 7.776 9.266 ( -15.024 -6.786 -8.905) 18.738 10.234 ( 3.604 -1.796 6.635) 7.762 10.430 ( 0.617 -3.394 -4.312) 5.522 10.776 ( 3.725 6.240 7.539) 10.471 11.014 ( -1.384 -1.874 -5.644) 6.106 11.577 ( 11.141 -2.224 9.113) 14.564 12.171 ( -13.241 14.406 -12.575) 23.259 12.625 ( 18.113 -6.450 19.251) 27.208 13.398 ( -16.636 4.512 -9.955) 19.905 13.654 ( 1.275 -1.450 10.275) 10.455 13.991 ( 1.430 -9.012 -14.220) 16.896 15.357 ( 8.856 7.431 8.422) 14.303 15.631 ( -4.095 2.226 2.519) 5.298 16.361 ( -0.817 1.872 -4.194) 4.665 16.425 ( -9.585 -0.243 1.146) 9.656 18.799 ( 3.103 -1.246 10.325) 10.853 19.044 ( 5.945 -5.153 -8.958) 11.923 ======================= Grid point 347 (184/205) ======================= q-point: (-0.44 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -11.584 7.675 3.523) 14.336 2.516 ( 8.402 11.343 -1.396) 14.185 2.778 ( -14.063 -2.472 12.787) 19.167 3.068 ( 5.306 -4.708 -8.766) 11.277 3.096 ( -6.900 4.018 1.333) 8.095 3.332 ( 13.529 5.115 -2.453) 14.670 4.084 ( 0.163 2.757 3.912) 4.789 4.135 ( -0.492 3.902 -7.184) 8.190 4.659 ( -8.678 3.120 3.166) 9.751 4.840 ( 5.629 3.831 -2.859) 7.385 5.271 ( -7.501 4.631 0.909) 8.863 5.394 ( 5.223 4.053 1.081) 6.699 5.670 ( -5.679 -5.054 11.768) 14.010 5.892 ( 2.295 -5.030 -14.933) 15.924 6.611 ( -3.974 -0.851 7.746) 8.747 6.699 ( 0.117 5.528 2.258) 5.972 7.361 ( -3.303 -0.894 5.408) 6.400 7.406 ( -11.441 3.149 -4.230) 12.598 7.716 ( -14.848 3.384 0.030) 15.229 7.839 ( -1.448 2.235 -3.810) 4.648 8.113 ( -9.813 -2.377 8.966) 13.503 8.494 ( 8.392 -3.914 -13.207) 16.130 8.595 ( 12.861 -2.755 -0.559) 13.164 8.796 ( 20.122 -8.721 -1.342) 21.972 8.975 ( 2.540 -8.504 -0.391) 8.884 9.205 ( 16.692 -8.239 -4.820) 19.228 10.254 ( -6.749 -3.782 5.079) 9.254 10.437 ( 4.711 -1.830 -5.770) 7.670 10.887 ( -0.013 2.200 5.052) 5.511 10.931 ( -0.833 2.365 -5.398) 5.952 11.682 ( -16.564 10.052 3.679) 19.722 12.021 ( 15.541 6.699 -2.878) 17.166 12.886 ( -19.360 -0.969 -1.475) 19.441 13.176 ( 15.475 -2.301 6.829) 17.071 13.746 ( -1.396 -3.324 11.459) 12.013 13.869 ( -2.278 -7.049 -12.294) 14.354 15.444 ( -9.762 6.661 1.014) 11.862 15.644 ( 10.376 4.655 -0.011) 11.372 16.290 ( -4.678 1.959 3.114) 5.952 16.434 ( 8.320 -0.014 -0.083) 8.320 18.861 ( -5.089 -1.908 8.697) 10.256 19.017 ( 0.008 -5.103 -10.977) 12.105 ======================= Grid point 348 (185/205) ======================= q-point: (-0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -7.543 5.606 7.071) 11.761 2.549 ( -17.361 0.164 13.341) 21.895 2.658 ( 0.508 12.131 3.951) 12.768 3.053 ( 2.013 -2.477 7.825) 8.451 3.262 ( 11.318 -2.406 4.064) 12.264 3.530 ( 10.729 3.019 -2.433) 11.408 4.044 ( -4.316 2.900 -5.925) 7.883 4.103 ( -0.717 5.233 3.533) 6.355 4.472 ( -8.175 3.244 -4.378) 9.825 4.846 ( -5.413 4.167 -3.658) 7.749 5.145 ( -8.159 4.440 6.430) 11.297 5.472 ( -4.314 1.947 2.348) 5.283 5.578 ( -3.961 3.484 5.295) 7.474 5.892 ( 3.053 -6.897 -0.962) 7.604 6.477 ( -6.291 -1.394 -3.981) 7.574 6.737 ( -0.684 1.960 0.020) 2.076 7.164 ( -13.976 2.704 -2.191) 14.403 7.290 ( -7.386 11.845 7.338) 15.770 7.434 ( -3.160 -10.038 1.301) 10.604 7.819 ( 3.768 -0.273 -8.209) 9.037 8.121 ( -1.403 0.525 8.373) 8.506 8.417 ( 2.758 -0.742 -12.988) 13.298 8.810 ( -3.194 -12.408 -0.944) 12.848 8.877 ( 10.303 -8.940 -3.235) 14.019 9.456 ( 30.909 -2.012 -3.739) 31.200 9.643 ( 23.089 -10.146 4.474) 25.613 10.187 ( 3.882 0.852 -2.480) 4.685 10.450 ( -0.167 0.576 -3.416) 3.468 10.779 ( -5.562 7.339 -9.150) 12.982 10.926 ( -4.665 1.090 5.672) 7.424 11.394 ( -11.031 0.043 0.328) 11.036 12.325 ( 2.112 10.583 3.352) 11.300 12.468 ( -4.929 -8.390 -8.703) 13.055 13.535 ( 8.799 1.671 12.937) 15.735 13.708 ( -4.490 -4.561 -9.172) 11.185 13.789 ( -4.246 -2.788 10.573) 11.730 15.250 ( -7.835 7.217 -3.187) 11.119 15.735 ( 0.252 -2.295 -5.718) 6.166 16.413 ( 12.936 5.721 9.188) 16.867 16.617 ( 10.355 0.368 0.424) 10.370 18.738 ( -12.037 -3.304 -0.871) 12.512 18.877 ( -6.944 -3.704 -4.727) 9.180 ======================= Grid point 349 (186/205) ======================= q-point: (-0.22 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -10.463 2.978 11.921) 16.139 2.377 ( -14.618 4.655 6.014) 16.478 2.531 ( -10.736 1.910 3.747) 11.531 3.246 ( -4.199 -2.689 9.233) 10.493 3.406 ( 4.844 -6.179 7.630) 10.948 3.717 ( 3.702 3.917 -0.976) 5.477 3.952 ( 6.576 7.059 0.904) 9.690 4.123 ( -0.764 4.902 2.229) 5.439 4.326 ( -4.589 0.803 -3.889) 6.068 4.575 ( -13.368 1.470 -2.235) 13.633 5.093 ( -4.050 10.889 5.899) 13.030 5.381 ( -3.914 0.600 6.964) 8.010 5.610 ( -2.654 5.128 5.631) 8.065 5.927 ( 1.085 -6.604 -1.011) 6.768 6.382 ( -2.518 0.022 1.712) 3.045 6.748 ( 4.156 -1.371 -3.422) 5.555 6.900 ( -3.423 -0.229 -9.117) 9.741 7.263 ( -6.832 17.072 9.952) 20.908 7.530 ( 8.550 -13.944 -4.472) 16.957 7.831 ( 4.775 -0.219 -1.450) 4.995 8.163 ( 0.792 2.173 1.832) 2.950 8.400 ( 2.350 4.292 -5.063) 7.041 8.748 ( -1.734 -10.452 -2.886) 10.981 8.947 ( 2.953 -6.096 -7.920) 10.422 9.656 ( -3.710 -4.546 0.243) 5.873 10.084 ( 17.513 -13.053 -7.360) 23.049 10.346 ( 4.552 6.321 -5.205) 9.368 10.518 ( 10.665 -6.192 3.219) 12.745 10.600 ( 2.624 7.569 -5.554) 9.748 10.869 ( -3.970 -0.190 3.646) 5.394 11.275 ( -4.035 -1.817 2.544) 5.104 12.048 ( -10.492 -5.910 -6.426) 13.649 12.700 ( 14.572 3.616 0.353) 15.018 13.543 ( -5.158 5.522 -3.607) 8.373 13.673 ( -7.818 -5.491 11.617) 15.041 13.779 ( -2.940 2.154 4.970) 6.163 15.132 ( -2.498 5.649 -0.738) 6.220 15.634 ( -3.319 -3.659 -7.628) 9.088 16.773 ( 12.538 0.769 2.013) 12.722 16.885 ( 20.450 1.661 5.079) 21.137 18.417 ( -16.482 -1.875 -7.390) 18.160 18.689 ( -12.009 -2.932 1.973) 12.518 ======================= Grid point 350 (187/205) ======================= q-point: (-0.11 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -10.807 4.523 12.395) 17.056 2.140 ( -7.485 -1.949 9.037) 11.895 2.349 ( -13.147 8.652 1.249) 15.788 3.032 ( -15.371 -13.779 -4.826) 21.200 3.401 ( -0.678 -7.879 -0.416) 7.919 3.917 ( 5.655 0.415 3.179) 6.500 4.042 ( -6.900 -0.824 6.146) 9.277 4.142 ( 8.431 7.370 -1.756) 11.335 4.200 ( -3.379 0.575 2.270) 4.111 4.555 ( 6.095 2.243 0.058) 6.495 5.116 ( 1.683 14.364 9.880) 17.515 5.439 ( 0.725 4.506 12.117) 12.948 5.550 ( -5.406 -2.840 1.386) 6.262 5.918 ( -0.981 5.136 -2.639) 5.857 6.386 ( -2.088 -0.511 7.841) 8.131 6.760 ( 4.039 -2.908 -12.559) 13.509 6.937 ( 8.684 -2.058 -0.100) 8.925 7.201 ( -7.948 14.563 8.124) 18.473 7.569 ( 4.286 -1.378 -7.148) 8.448 7.976 ( 3.360 -2.966 -6.049) 7.529 8.169 ( 3.002 0.016 2.133) 3.682 8.399 ( 0.321 7.183 1.121) 7.277 8.685 ( -3.537 -8.947 -1.564) 9.747 8.917 ( 5.654 1.395 -14.697) 15.809 9.578 ( -3.280 -3.836 0.869) 5.121 9.930 ( -12.768 -3.483 -9.263) 16.154 10.439 ( -4.347 -11.244 5.109) 13.093 10.600 ( 12.176 -11.838 -6.324) 18.121 10.772 ( 1.280 -0.939 3.634) 3.965 10.932 ( 7.006 -9.282 -4.707) 12.545 11.339 ( 9.644 8.224 5.215) 13.705 11.874 ( -5.437 0.297 -3.797) 6.638 12.974 ( 16.184 0.684 -2.205) 16.348 13.454 ( -9.098 12.097 7.449) 16.870 13.523 ( -8.655 -7.123 2.043) 11.394 13.719 ( -6.448 2.409 0.909) 6.943 15.139 ( 1.327 3.281 3.992) 5.336 15.504 ( -3.762 -3.019 -7.542) 8.952 16.982 ( 10.094 0.742 0.896) 10.161 17.281 ( 12.704 -5.205 -0.766) 13.750 18.108 ( -6.693 2.475 -2.880) 7.695 18.459 ( -14.150 -2.336 2.317) 14.528 ======================= Grid point 351 (188/205) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -5.198 0.879 5.437) 7.573 2.091 ( 7.763 -0.528 -2.032) 8.042 2.449 ( 5.682 6.848 4.291) 9.879 2.576 ( -5.522 -1.627 -7.666) 9.587 3.314 ( 4.837 -7.410 7.829) 11.815 3.497 ( -7.713 -11.496 -9.015) 16.521 4.110 ( -1.645 1.422 2.148) 3.057 4.192 ( 3.767 -1.141 -5.253) 6.564 4.474 ( 3.538 4.201 5.061) 7.469 4.577 ( 0.777 -0.841 -5.024) 5.152 5.285 ( -0.293 -1.159 7.190) 7.289 5.365 ( -2.295 -4.510 -0.663) 5.104 5.936 ( 5.207 13.665 13.636) 19.994 6.064 ( -2.153 9.164 -0.176) 9.415 6.431 ( -2.669 2.058 7.135) 7.891 6.624 ( -0.249 -4.513 -11.093) 11.978 7.178 ( 7.000 6.871 8.638) 13.070 7.318 ( -9.711 11.124 -2.898) 15.048 7.673 ( 3.755 -1.403 9.461) 10.275 7.879 ( -6.354 2.919 -8.042) 10.657 8.303 ( 8.482 0.202 1.977) 8.712 8.366 ( -5.896 -1.154 -2.237) 6.411 8.616 ( 0.743 1.537 3.863) 4.223 8.862 ( 6.299 -6.532 -15.964) 18.363 9.543 ( 2.616 -0.925 1.122) 2.993 9.610 ( -5.102 -2.779 -5.524) 8.017 10.114 ( -2.875 -12.110 4.457) 13.220 10.268 ( 2.858 -17.954 -10.641) 21.066 10.790 ( -1.007 0.690 1.748) 2.132 10.849 ( 1.820 -2.098 -4.469) 5.262 11.765 ( 0.473 7.661 5.195) 9.268 11.842 ( -0.610 4.216 -2.596) 4.989 13.189 ( -14.510 -0.751 5.291) 15.463 13.229 ( 7.113 -3.284 1.067) 7.907 13.600 ( 1.028 2.616 2.045) 3.476 13.666 ( 6.348 0.143 -4.248) 7.639 15.267 ( 0.335 2.660 4.232) 5.010 15.337 ( -3.700 -0.906 -3.193) 4.971 17.158 ( 3.503 -0.281 2.209) 4.150 17.186 ( -6.363 -1.856 -0.520) 6.649 18.178 ( -1.214 0.220 1.385) 1.855 18.226 ( 3.738 -1.797 -3.523) 5.441 ======================= Grid point 352 (189/205) ======================= q-point: ( 0.11 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 14.965 5.565 1.974) 16.088 2.382 ( -2.317 4.986 -5.832) 8.015 2.407 ( 22.563 -4.526 -5.980) 23.777 2.666 ( 8.042 -6.465 3.725) 10.970 3.414 ( 9.455 -1.166 -0.960) 9.575 3.636 ( 14.328 -8.361 6.768) 17.916 4.096 ( -1.124 2.072 1.697) 2.905 4.214 ( 3.289 -1.657 -5.897) 6.952 4.444 ( -6.086 3.107 -5.834) 8.985 4.520 ( -2.232 -0.791 -2.226) 3.250 5.323 ( -0.393 -1.725 0.085) 1.771 5.377 ( 3.673 -4.829 5.325) 8.073 5.901 ( -8.807 15.087 -6.912) 18.787 6.070 ( -0.540 8.301 2.778) 8.770 6.462 ( -3.515 -1.452 10.128) 10.819 6.516 ( -2.550 -3.813 -4.943) 6.743 7.075 ( -11.673 11.192 -4.231) 16.716 7.324 ( 0.455 2.588 6.765) 7.258 7.600 ( -8.202 7.787 2.537) 11.590 7.913 ( 3.018 -4.378 3.819) 6.547 8.194 ( -6.797 -0.156 -3.490) 7.642 8.472 ( 8.262 4.838 -1.472) 9.687 8.575 ( -6.812 -5.316 3.070) 9.170 8.888 ( 9.405 -2.152 -15.038) 17.867 9.553 ( 1.595 -1.318 -1.529) 2.573 9.662 ( 5.759 -6.423 3.917) 9.474 10.193 ( 5.154 -9.360 6.217) 12.362 10.306 ( 9.169 -13.859 -6.185) 17.731 10.762 ( -4.066 1.111 1.722) 4.554 10.844 ( 2.082 -1.896 -4.198) 5.055 11.540 ( -18.943 8.536 1.441) 20.827 11.820 ( -7.636 -2.811 1.562) 8.286 12.985 ( -8.521 6.806 4.451) 11.779 13.306 ( 0.179 -8.180 3.885) 9.057 13.742 ( 12.733 3.317 -3.979) 13.746 13.824 ( 11.672 0.987 -5.450) 12.919 15.237 ( -4.311 2.338 0.508) 4.930 15.326 ( 0.219 -1.067 6.272) 6.366 17.003 ( -11.630 1.760 1.277) 11.831 17.139 ( -8.749 -4.243 3.097) 10.205 18.169 ( 5.308 5.280 -0.595) 7.510 18.420 ( 13.677 -6.368 -3.213) 15.425 ======================= Grid point 353 (190/205) ======================= q-point: ( 0.22 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 6.264 6.850 -6.672) 11.431 2.541 ( 21.248 7.324 -1.035) 22.499 2.606 ( 7.828 -5.145 -10.104) 13.778 2.971 ( 16.832 -13.699 6.513) 22.658 3.599 ( 1.117 6.892 -4.055) 8.074 3.799 ( -5.000 -2.793 -0.470) 5.747 4.085 ( -2.249 5.579 0.460) 6.033 4.224 ( 3.970 0.378 -4.841) 6.272 4.327 ( 0.956 2.153 -2.025) 3.106 4.521 ( 10.325 -4.269 -1.626) 11.290 5.353 ( 4.174 1.742 1.079) 4.650 5.539 ( 6.426 -3.305 1.568) 7.394 5.698 ( -2.253 10.884 -5.713) 12.497 5.981 ( -5.793 2.137 -6.949) 9.296 6.395 ( -5.512 -0.057 1.919) 5.837 6.516 ( -2.622 -1.774 10.500) 10.967 6.894 ( -3.112 6.666 0.150) 7.358 7.282 ( -4.753 -7.558 -3.205) 9.486 7.567 ( -2.407 12.783 9.991) 16.402 7.890 ( -6.166 4.531 4.409) 8.832 8.136 ( 1.659 -7.772 -1.865) 8.163 8.452 ( -5.887 0.695 -0.623) 5.960 8.592 ( 3.763 -5.783 -1.417) 7.044 8.903 ( 5.971 -2.765 -16.556) 17.816 9.587 ( -0.709 -0.758 0.563) 1.181 9.744 ( 0.091 -8.292 -0.533) 8.310 10.324 ( -0.136 1.460 5.761) 5.944 10.418 ( -2.329 -7.088 -0.560) 7.481 10.689 ( 0.526 7.605 1.532) 7.775 10.894 ( 7.495 -2.905 -3.457) 8.750 11.253 ( -10.662 3.243 5.315) 12.347 11.657 ( -8.141 -13.246 9.035) 17.982 12.930 ( -1.053 13.170 -1.191) 13.265 13.357 ( 2.116 -7.569 3.042) 8.427 13.901 ( 7.192 0.452 -6.175) 9.490 13.945 ( 5.764 1.866 -8.104) 10.118 15.198 ( -0.840 5.138 4.039) 6.589 15.399 ( 1.154 -3.835 8.861) 9.723 16.793 ( -11.844 1.973 1.751) 12.134 16.910 ( -15.516 -2.670 0.587) 15.755 18.356 ( 12.229 5.394 2.178) 13.542 18.645 ( 12.757 -7.535 -3.482) 15.220 ======================= Grid point 354 (191/205) ======================= q-point: ( 0.33 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 10.966 6.497 -8.055) 15.079 2.677 ( 6.457 -3.826 -5.380) 9.234 2.882 ( 15.906 7.979 -3.130) 18.068 3.226 ( 3.317 -7.546 1.159) 8.324 3.300 ( -18.046 2.983 -11.784) 21.758 3.494 ( -17.561 -3.233 -6.667) 19.060 4.076 ( 0.348 6.945 1.436) 7.101 4.257 ( 3.490 -1.288 -6.882) 7.824 4.454 ( 8.467 7.579 7.349) 13.533 4.792 ( 10.790 -3.687 3.578) 11.951 5.403 ( -6.263 5.453 1.462) 8.432 5.565 ( 9.552 8.893 -6.148) 14.427 5.772 ( -4.060 4.722 -5.933) 8.601 5.834 ( 4.512 -7.780 -3.395) 9.613 6.375 ( 1.228 2.315 5.050) 5.689 6.591 ( 2.613 -1.557 9.040) 9.538 7.041 ( 14.272 -4.318 8.744) 17.286 7.180 ( 2.658 -7.243 -7.554) 10.797 7.631 ( -0.613 12.116 12.254) 17.243 7.845 ( -3.103 9.244 5.851) 11.372 8.158 ( 2.144 -10.016 -2.835) 10.628 8.339 ( -4.704 -0.488 -1.469) 4.952 8.594 ( -1.436 -7.289 -2.504) 7.840 8.849 ( 3.012 -6.682 -15.586) 17.223 9.371 ( -22.442 2.305 -1.512) 22.611 9.597 ( -15.262 -7.081 -9.534) 19.338 10.177 ( -6.196 3.819 2.334) 7.643 10.367 ( -3.213 -4.520 1.302) 5.696 10.800 ( 3.645 7.292 3.552) 8.893 10.991 ( 2.248 -3.378 -4.074) 5.750 11.296 ( 9.876 5.536 12.422) 16.807 11.858 ( 15.051 -15.948 20.019) 29.692 12.840 ( -5.381 17.987 -9.121) 20.873 13.411 ( 0.388 -9.660 1.088) 9.729 13.859 ( -6.164 3.504 -7.335) 10.202 13.920 ( 1.772 -3.643 -9.930) 10.724 15.295 ( 5.843 7.001 7.342) 11.707 15.526 ( 3.734 -4.069 9.400) 10.902 16.582 ( -11.288 1.509 -0.960) 11.429 16.626 ( -13.181 0.195 -0.230) 13.184 18.609 ( 10.396 2.968 4.693) 11.786 18.830 ( 9.775 -6.696 -3.781) 12.437 ======================= Grid point 355 (192/205) ======================= q-point: ( 0.44 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 8.364 7.345 -7.736) 13.555 2.680 ( -7.719 5.618 2.349) 9.831 2.857 ( -15.128 0.134 -1.285) 15.183 3.040 ( 2.200 -3.612 -17.377) 17.885 3.181 ( 6.975 1.095 -2.253) 7.411 3.283 ( -7.219 -3.091 2.985) 8.401 4.109 ( 0.984 4.870 2.377) 5.508 4.243 ( 1.463 -0.303 -7.035) 7.192 4.698 ( 9.822 6.886 6.701) 13.741 4.910 ( -1.182 2.594 2.348) 3.693 5.312 ( -1.521 -0.693 1.192) 2.053 5.534 ( -6.968 1.763 -5.490) 9.045 5.692 ( -2.374 6.097 4.471) 7.925 5.888 ( 5.445 1.682 -9.624) 11.185 6.460 ( 0.429 -4.179 8.293) 9.296 6.697 ( 3.411 -5.406 -4.739) 7.958 7.267 ( 11.106 3.429 8.318) 14.293 7.543 ( 14.569 -3.954 6.355) 16.379 7.740 ( 4.127 8.053 8.442) 12.375 7.903 ( 9.161 9.454 1.207) 13.220 8.147 ( -2.900 -8.268 -0.098) 8.762 8.273 ( 1.096 -3.999 -4.009) 5.768 8.528 ( -1.903 -1.634 -1.088) 2.734 8.727 ( -11.203 -6.879 -6.889) 14.842 8.888 ( -16.529 -0.714 -2.379) 16.714 9.112 ( -18.702 -8.157 -12.465) 23.910 10.197 ( 1.931 -1.011 2.315) 3.180 10.320 ( 0.786 -6.447 -4.507) 7.905 10.865 ( 1.146 2.784 2.794) 4.107 10.959 ( -0.685 -2.699 -3.114) 4.177 11.728 ( 18.136 14.996 18.388) 29.865 12.389 ( 16.950 -10.430 20.647) 28.677 12.566 ( -9.765 16.873 -13.874) 23.927 13.273 ( -13.082 -13.242 -11.491) 21.876 13.706 ( -3.469 3.849 1.240) 5.328 13.850 ( -0.780 -5.201 -7.843) 9.443 15.505 ( 8.337 6.793 7.685) 13.217 15.651 ( 1.288 -0.307 5.063) 5.234 16.396 ( -4.065 1.514 -2.804) 5.165 16.425 ( -8.911 0.034 0.812) 8.948 18.792 ( 3.959 0.866 5.431) 6.776 18.934 ( 4.780 -5.464 -5.058) 8.848 ======================= Grid point 356 (193/205) ======================= q-point: (-0.44 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -13.890 8.433 6.082) 17.351 2.698 ( -11.204 -3.726 8.563) 14.585 2.726 ( 7.553 7.565 2.387) 10.953 2.963 ( 4.444 -5.192 -5.374) 8.694 3.166 ( -4.941 3.565 -1.133) 6.197 3.365 ( 11.282 -2.334 -5.915) 12.950 4.137 ( -0.738 2.945 3.169) 4.389 4.204 ( 0.941 1.471 -6.822) 7.041 4.782 ( -8.337 8.630 -0.665) 12.018 4.917 ( 5.823 3.421 0.552) 6.776 5.357 ( -6.854 1.049 -2.420) 7.344 5.382 ( 3.074 -4.550 7.785) 9.527 5.679 ( -4.320 5.742 6.888) 9.954 5.883 ( 2.526 4.520 -8.767) 10.181 6.506 ( -2.561 -6.149 5.262) 8.489 6.705 ( 6.168 -5.841 -8.556) 12.057 7.364 ( -17.450 3.542 2.162) 17.936 7.544 ( -3.064 4.526 5.735) 7.922 7.783 ( -19.176 4.965 0.161) 19.809 7.922 ( -1.450 5.836 1.699) 6.249 8.132 ( 3.102 4.569 -2.838) 6.209 8.402 ( 6.084 -5.403 -11.191) 13.837 8.488 ( 2.637 -8.964 1.171) 9.417 8.616 ( 2.114 -6.530 1.731) 7.079 8.844 ( 17.996 -4.443 6.552) 19.661 8.988 ( 13.456 -12.126 -1.892) 18.212 10.204 ( -1.028 -0.189 0.071) 1.048 10.360 ( 7.458 -5.384 -7.391) 11.799 10.899 ( -0.014 0.206 2.002) 2.013 10.930 ( 0.720 -1.138 -3.103) 3.382 12.013 ( -17.587 20.046 -2.370) 26.772 12.292 ( 14.890 18.059 2.522) 23.542 12.744 ( -20.301 -12.585 -5.374) 24.483 13.007 ( 15.233 -13.432 8.523) 22.025 13.713 ( -1.049 -0.327 6.452) 6.544 13.771 ( -1.647 -3.126 -5.085) 6.192 15.581 ( -7.106 6.471 0.760) 9.641 15.704 ( 4.166 1.112 -0.891) 4.403 16.340 ( 0.375 2.787 2.926) 4.058 16.426 ( 7.216 -0.981 0.506) 7.300 18.834 ( -4.119 -0.537 4.159) 5.878 18.917 ( -1.417 -4.510 -6.304) 7.880 ======================= Grid point 357 (194/205) ======================= q-point: (-0.33 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -10.758 6.467 8.836) 15.350 2.499 ( -14.947 -4.360 11.358) 19.273 2.912 ( -5.560 10.884 -3.682) 12.765 3.040 ( 10.857 2.160 12.397) 16.620 3.194 ( 5.560 -3.281 3.780) 7.481 3.484 ( 8.703 -6.942 -3.490) 11.667 4.124 ( -1.794 4.065 -0.064) 4.444 4.185 ( 1.421 2.109 -3.122) 4.027 4.582 ( -9.242 8.037 -5.203) 13.307 4.884 ( -9.719 -1.837 -5.196) 11.173 5.293 ( -1.891 8.621 8.766) 12.439 5.464 ( -5.384 -1.003 8.237) 9.892 5.667 ( 1.716 2.994 3.281) 4.762 5.830 ( -3.992 0.101 -2.305) 4.611 6.463 ( -1.365 2.077 -3.323) 4.150 6.752 ( 2.642 -0.804 -7.364) 7.865 7.088 ( -4.433 -8.708 1.362) 9.866 7.186 ( -19.749 -7.211 -7.716) 22.395 7.679 ( -5.957 18.549 10.916) 22.332 7.888 ( -1.102 8.255 1.798) 8.520 8.189 ( 6.418 5.011 -8.282) 11.614 8.394 ( 4.563 -2.764 -6.449) 8.369 8.502 ( -3.900 -15.135 7.509) 17.339 8.669 ( 2.715 -13.635 0.047) 13.903 9.371 ( 22.089 -5.075 2.087) 22.760 9.423 ( 24.312 -8.956 5.886) 26.569 10.247 ( 10.321 4.624 -5.205) 12.450 10.429 ( 4.981 -2.682 -5.384) 7.810 10.879 ( -1.203 2.374 -4.093) 4.882 10.930 ( -1.971 -0.637 2.061) 2.922 11.546 ( -17.403 14.091 -12.036) 25.422 12.203 ( -21.077 -14.388 -15.070) 29.637 12.656 ( 12.275 17.769 9.416) 23.560 13.355 ( 7.053 -14.576 9.508) 18.777 13.717 ( -1.877 1.436 3.048) 3.857 13.757 ( -1.165 -0.819 7.746) 7.875 15.411 ( -7.363 8.317 -4.299) 11.911 15.671 ( -3.496 -4.146 -5.552) 7.761 16.517 ( 12.886 4.431 5.259) 14.606 16.617 ( 11.406 -0.590 1.231) 11.487 18.697 ( -11.039 -0.522 -2.172) 11.263 18.793 ( -7.582 -4.311 -2.084) 8.967 ======================= Grid point 358 (195/205) ======================= q-point: (-0.22 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -11.461 6.348 11.947) 17.731 2.409 ( -3.858 -3.723 8.851) 10.349 2.606 ( -18.351 7.835 -5.769) 20.771 3.085 ( -14.196 -13.097 -4.829) 19.909 3.410 ( 7.081 7.951 15.348) 18.679 3.751 ( 12.844 -2.625 4.292) 13.794 4.103 ( 2.308 6.465 -1.177) 6.964 4.167 ( -3.814 1.097 0.802) 4.049 4.362 ( -9.467 3.379 -4.989) 11.222 4.563 ( -12.016 -3.437 -5.455) 13.636 5.298 ( -7.002 6.993 7.200) 12.238 5.452 ( 1.279 5.847 8.131) 10.097 5.658 ( -8.612 -0.153 1.526) 8.748 5.830 ( 6.036 -3.368 6.297) 9.350 6.446 ( 2.192 7.788 -3.219) 8.707 6.741 ( 5.535 0.226 -11.246) 12.536 6.865 ( -6.362 -1.918 0.035) 6.645 7.233 ( 10.761 -15.398 1.602) 18.854 7.623 ( -7.613 18.397 7.175) 21.164 7.921 ( 2.594 9.278 3.188) 10.148 8.203 ( 3.068 -1.126 -10.564) 11.058 8.455 ( 3.579 -3.477 -0.964) 5.082 8.507 ( -1.716 -7.132 7.118) 10.221 8.735 ( 4.901 -13.659 -0.666) 14.527 9.576 ( 1.017 -1.942 1.366) 2.583 9.815 ( 14.426 -12.547 -7.336) 20.479 10.425 ( -2.841 1.849 -4.499) 5.633 10.464 ( 8.049 0.191 -4.793) 9.370 10.760 ( -1.999 6.775 -5.831) 9.159 10.867 ( -4.367 -0.072 -0.180) 4.371 11.330 ( 2.506 7.172 -2.854) 8.116 11.832 ( -4.438 -13.711 -8.915) 16.945 12.887 ( 7.357 12.908 3.174) 15.193 13.417 ( -1.161 -11.471 -1.213) 11.594 13.715 ( -6.591 3.408 10.469) 12.832 13.789 ( -3.928 -0.660 8.378) 9.277 15.274 ( -3.093 7.894 -3.581) 9.203 15.546 ( -3.551 -5.106 -6.335) 8.877 16.802 ( 12.230 2.102 1.012) 12.450 16.890 ( 16.212 -1.106 2.788) 16.487 18.421 ( -13.946 2.212 -4.149) 14.717 18.604 ( -11.442 -5.183 0.350) 12.566 ======================= Grid point 359 (196/205) ======================= q-point: (-0.11 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -7.709 6.073 15.587) 18.419 2.209 ( -14.912 7.336 -4.833) 17.307 2.430 ( -2.233 -1.316 0.327) 2.612 2.750 ( -11.419 -13.851 -4.394) 18.481 3.366 ( -13.020 5.567 2.550) 14.388 3.798 ( -11.335 -9.411 -6.663) 16.169 4.092 ( 0.356 3.268 4.844) 5.854 4.173 ( 1.337 -1.111 -2.418) 2.978 4.309 ( 6.857 6.433 4.461) 10.408 4.523 ( 6.011 -4.392 -1.423) 7.579 5.255 ( -2.871 2.691 6.204) 7.346 5.440 ( -5.464 -6.160 0.368) 8.242 5.698 ( 5.548 15.240 13.486) 21.093 5.998 ( 4.329 1.021 7.589) 8.796 6.448 ( -1.213 6.575 0.321) 6.693 6.699 ( 2.265 -3.633 -12.341) 13.063 6.957 ( 8.301 5.487 6.510) 11.891 7.429 ( 7.144 -8.477 -3.664) 11.676 7.535 ( -6.176 14.485 10.176) 18.748 8.028 ( 3.107 7.302 -1.568) 8.089 8.147 ( 1.544 -5.041 -3.336) 6.239 8.460 ( -2.893 -6.292 0.957) 6.991 8.556 ( 1.660 2.810 2.796) 4.298 8.832 ( 8.325 -8.691 -8.495) 14.731 9.549 ( -1.684 1.282 -1.734) 2.736 9.807 ( -5.290 -8.182 -10.248) 14.140 10.239 ( -10.278 -6.223 -1.822) 12.153 10.362 ( -4.522 -9.852 -8.090) 13.526 10.787 ( 0.356 1.284 0.202) 1.348 10.835 ( 3.732 -1.978 -4.666) 6.294 11.527 ( 14.736 9.876 2.803) 17.959 11.840 ( 4.359 -3.982 -0.790) 5.957 13.040 ( 9.419 5.873 -1.092) 11.154 13.366 ( -3.947 -8.403 -0.495) 9.297 13.626 ( -8.660 5.155 6.705) 12.105 13.722 ( -8.052 -1.354 4.600) 9.372 15.237 ( 0.228 5.849 0.236) 5.859 15.438 ( -3.113 -3.637 -5.046) 6.956 17.012 ( 9.689 2.350 0.340) 9.976 17.172 ( 9.399 -5.318 0.046) 10.799 18.179 ( -6.565 4.459 -1.716) 8.120 18.385 ( -11.539 -4.748 0.378) 12.484 ======================= Grid point 360 (197/205) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.687 -2.796 -3.338) 4.408 2.049 ( 0.687 2.796 -3.338) 4.408 2.556 ( 3.373 -3.227 1.484) 4.898 2.556 ( 3.373 3.227 1.484) 4.898 3.301 ( -4.593 -6.235 0.024) 7.744 3.301 ( -4.593 6.235 0.024) 7.744 4.150 ( 1.621 -2.501 -3.289) 4.438 4.150 ( 1.621 2.501 -3.289) 4.438 4.540 ( 2.295 -2.566 0.165) 3.447 4.540 ( 2.295 2.566 0.165) 3.447 5.295 ( -1.727 -2.156 3.638) 4.568 5.295 ( -1.727 2.156 3.638) 4.568 6.115 ( 2.685 -3.824 8.528) 9.725 6.115 ( 2.685 3.824 8.528) 9.725 6.518 ( -3.401 -5.760 -3.203) 7.416 6.518 ( -3.401 5.760 -3.203) 7.416 7.355 ( 4.886 -7.950 -0.365) 9.338 7.355 ( 4.886 7.950 -0.365) 9.338 7.763 ( -7.108 -10.509 6.055) 14.058 7.763 ( -7.108 10.509 6.055) 14.058 8.368 ( 1.144 -2.772 4.554) 5.453 8.368 ( 1.144 2.772 4.554) 5.453 8.688 ( 4.592 -7.702 -10.672) 13.939 8.688 ( 4.592 7.702 -10.672) 13.939 9.559 ( -1.737 -2.096 -2.584) 3.753 9.559 ( -1.737 2.096 -2.584) 3.753 10.030 ( 0.075 -4.202 -5.234) 6.712 10.030 ( 0.075 4.202 -5.234) 6.712 10.816 ( 0.542 -1.494 -1.574) 2.237 10.816 ( 0.542 1.494 -1.574) 2.237 11.867 ( -0.218 -2.021 1.780) 2.702 11.867 ( -0.218 2.021 1.780) 2.702 13.186 ( -4.166 -0.831 2.927) 5.159 13.186 ( -4.166 0.831 2.927) 5.159 13.642 ( 4.480 -1.863 -1.389) 5.047 13.642 ( 4.480 1.863 -1.389) 5.047 15.314 ( -1.829 -1.751 0.575) 2.597 15.314 ( -1.829 1.751 0.575) 2.597 17.161 ( -1.230 -0.656 1.009) 1.721 17.161 ( -1.230 0.656 1.009) 1.721 18.193 ( 1.020 -1.317 -1.203) 2.054 18.193 ( 1.020 1.317 -1.203) 2.054 ======================= Grid point 362 (198/205) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 21.799 -7.301 -1.127) 23.017 2.269 ( 21.799 7.301 -1.127) 23.017 2.526 ( -2.124 -7.940 -4.909) 9.573 2.526 ( -2.124 7.940 -4.909) 9.573 3.481 ( 16.191 -6.635 6.870) 18.799 3.481 ( 16.191 6.635 6.870) 18.799 4.153 ( 1.962 -3.571 -3.682) 5.491 4.153 ( 1.962 3.571 -3.682) 5.491 4.492 ( -4.898 -1.867 -4.036) 6.616 4.492 ( -4.898 1.867 -4.036) 6.616 5.316 ( 1.108 -1.231 3.447) 3.824 5.316 ( 1.108 1.231 3.447) 3.824 6.113 ( -4.964 -4.763 -4.911) 8.453 6.113 ( -4.964 4.763 -4.911) 8.453 6.457 ( -4.082 -1.605 7.083) 8.331 6.457 ( -4.082 1.605 7.083) 8.331 7.284 ( -6.891 -7.712 -7.651) 12.864 7.284 ( -6.891 7.712 -7.651) 12.864 7.762 ( -1.722 -8.843 11.141) 14.328 7.762 ( -1.722 8.843 11.141) 14.328 8.312 ( -6.976 -11.170 0.008) 13.169 8.312 ( -6.976 11.170 0.008) 13.169 8.739 ( 7.952 -11.675 -9.427) 16.983 8.739 ( 7.952 11.675 -9.427) 16.983 9.566 ( 2.892 -2.776 0.602) 4.053 9.566 ( 2.892 2.776 0.602) 4.053 10.126 ( 11.105 -3.072 0.653) 11.541 10.126 ( 11.105 3.072 0.653) 11.541 10.804 ( -0.301 -2.259 -1.450) 2.701 10.804 ( -0.301 2.259 -1.450) 2.701 11.710 ( -16.750 -7.611 1.836) 18.489 11.710 ( -16.750 7.611 1.836) 18.489 13.140 ( -1.800 -8.225 3.616) 9.163 13.140 ( -1.800 8.225 3.616) 9.163 13.799 ( 12.116 -2.551 -4.977) 13.345 13.799 ( 12.116 2.551 -4.977) 13.345 15.291 ( -2.306 -2.512 3.701) 5.032 15.291 ( -2.306 2.512 3.701) 5.032 17.058 ( -10.119 -3.600 2.027) 10.930 17.058 ( -10.119 3.600 2.027) 10.930 18.288 ( 9.515 -6.503 -1.660) 11.644 18.288 ( 9.515 6.503 -1.660) 11.644 ======================= Grid point 364 (199/205) ======================= q-point: ( 0.22 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 5.831 -7.055 -9.229) 12.998 2.482 ( 5.831 7.055 -9.229) 12.998 2.722 ( 21.193 -10.805 2.780) 23.951 2.722 ( 21.193 10.805 2.780) 23.951 3.726 ( -2.512 -4.999 -0.793) 5.650 3.726 ( -2.512 4.999 -0.793) 5.650 4.180 ( 3.264 -3.897 -2.658) 5.736 4.180 ( 3.264 3.897 -2.658) 5.736 4.411 ( 5.381 -5.654 -1.268) 7.908 4.411 ( 5.381 5.654 -1.268) 7.908 5.426 ( 8.123 -5.431 3.813) 10.489 5.426 ( 8.123 5.431 3.813) 10.489 5.913 ( -7.553 -8.051 -9.780) 14.748 5.913 ( -7.553 8.051 -9.780) 14.748 6.458 ( -4.065 -4.195 10.786) 12.266 6.458 ( -4.065 4.195 10.786) 12.266 7.080 ( -5.209 -11.254 -8.538) 15.056 7.080 ( -5.209 11.254 -8.538) 15.056 7.829 ( -1.685 -12.208 11.417) 16.800 7.829 ( -1.685 12.208 11.417) 16.800 8.192 ( -6.023 -14.725 2.212) 16.063 8.192 ( -6.023 14.725 2.212) 16.063 8.753 ( 3.432 -10.810 -13.026) 17.272 8.753 ( 3.432 10.810 -13.026) 17.272 9.619 ( 1.750 -3.999 -3.741) 5.749 9.619 ( 1.750 3.999 -3.741) 5.749 10.343 ( 2.863 -1.542 5.309) 6.226 10.343 ( 2.863 1.542 5.309) 6.226 10.819 ( 5.169 -5.038 -0.290) 7.224 10.819 ( 5.169 5.038 -0.290) 7.224 11.404 ( -13.999 -11.076 7.453) 19.345 11.404 ( -13.999 11.076 7.453) 19.345 13.173 ( 2.464 -10.681 -0.109) 10.962 13.173 ( 2.464 10.681 -0.109) 10.962 13.930 ( 5.715 -2.129 -7.143) 9.392 13.930 ( 5.715 2.129 -7.143) 9.392 15.308 ( 0.071 -5.271 6.961) 8.732 15.308 ( 0.071 5.271 6.961) 8.732 16.848 ( -13.034 -3.241 1.472) 13.512 16.848 ( -13.034 3.241 1.472) 13.512 18.489 ( 12.049 -7.584 -0.772) 14.258 18.489 ( 12.049 7.584 -0.772) 14.258 ======================= Grid point 366 (200/205) ======================= q-point: ( 0.33 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 10.099 -6.057 -6.923) 13.660 2.572 ( 10.099 6.057 -6.923) 13.660 3.051 ( 11.450 -8.616 -0.816) 14.353 3.051 ( 11.450 8.616 -0.816) 14.353 3.404 ( -20.081 -5.473 -8.621) 22.528 3.404 ( -20.081 5.473 -8.620) 22.528 4.192 ( 1.589 -4.634 -2.928) 5.707 4.192 ( 1.589 4.634 -2.928) 5.707 4.637 ( 10.443 -9.837 5.959) 15.535 4.637 ( 10.443 9.837 5.959) 15.535 5.573 ( -1.328 -8.861 -4.321) 9.947 5.573 ( -1.328 8.861 -4.321) 9.947 5.782 ( 3.768 -4.233 0.189) 5.670 5.782 ( 3.768 4.233 0.189) 5.670 6.492 ( 0.616 -8.136 3.652) 8.940 6.492 ( 0.616 8.136 3.652) 8.940 7.045 ( 8.987 -5.144 -0.321) 10.360 7.045 ( 8.987 5.144 -0.321) 10.360 7.889 ( -1.613 -12.600 10.598) 16.543 7.889 ( -1.613 12.600 10.598) 16.543 8.124 ( -4.058 -14.383 3.844) 15.431 8.124 ( -4.058 14.383 3.844) 15.431 8.675 ( 0.587 -9.298 -13.144) 16.111 8.675 ( 0.587 9.298 -13.144) 16.111 9.459 ( -14.925 -5.991 -10.128) 19.006 9.459 ( -14.925 5.991 -10.128) 19.006 10.268 ( -7.454 -5.010 2.193) 9.245 10.268 ( -7.454 5.010 2.193) 9.245 10.913 ( 1.500 -4.389 -0.885) 4.722 10.913 ( 1.500 4.389 -0.885) 4.722 11.532 ( 15.063 -15.669 19.050) 28.901 11.532 ( 15.063 15.669 19.050) 28.901 13.170 ( -1.768 -14.355 -6.056) 15.680 13.170 ( -1.768 14.355 -6.056) 15.680 13.884 ( -2.830 -0.432 -7.619) 8.139 13.884 ( -2.830 0.432 -7.619) 8.139 15.427 ( 5.230 -5.845 8.897) 11.861 15.427 ( 5.230 5.845 8.897) 11.861 16.613 ( -12.048 -1.347 -0.055) 12.123 16.613 ( -12.048 1.347 -0.055) 12.123 18.700 ( 9.874 -5.870 0.135) 11.488 18.700 ( 9.874 5.870 0.135) 11.488 ======================= Grid point 368 (201/205) ======================= q-point: ( 0.44 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 3.086 -3.665 0.394) 4.808 2.690 ( 3.086 3.665 0.394) 4.808 2.934 ( -12.030 -6.102 -11.404) 17.663 2.934 ( -12.030 6.102 -11.404) 17.663 3.220 ( 3.145 -2.676 -0.074) 4.130 3.220 ( 3.145 2.676 -0.074) 4.130 4.198 ( 1.343 -3.724 -2.769) 4.831 4.198 ( 1.343 3.724 -2.769) 4.831 4.849 ( 6.397 -7.247 6.331) 11.555 4.849 ( 6.397 7.247 6.331) 11.555 5.412 ( -5.724 -8.970 -7.475) 13.005 5.412 ( -5.724 8.970 -7.475) 13.005 5.871 ( -1.608 -7.854 8.120) 11.411 5.871 ( -1.608 7.854 8.120) 11.411 6.505 ( 3.709 -9.845 -8.723) 13.666 6.505 ( 3.709 9.845 -8.723) 13.666 7.413 ( 17.497 -8.505 11.958) 22.836 7.413 ( 17.497 8.505 11.958) 22.836 7.940 ( -0.597 -11.026 4.185) 11.809 7.940 ( -0.597 11.026 4.185) 11.809 8.113 ( 1.872 -10.428 2.334) 10.849 8.113 ( 1.872 10.428 2.334) 10.849 8.583 ( -0.301 -6.120 -7.310) 9.538 8.583 ( -0.301 6.120 -7.310) 9.538 8.957 ( -24.327 -6.537 -8.484) 26.581 8.957 ( -24.327 6.537 -8.484) 26.581 10.217 ( 1.349 -3.193 -2.311) 4.166 10.217 ( 1.349 3.193 -2.311) 4.166 10.911 ( 0.089 -2.165 -0.874) 2.336 10.911 ( 0.089 2.165 -0.874) 2.336 12.076 ( 20.511 -17.878 22.353) 35.213 12.076 ( 20.511 17.878 22.353) 35.213 12.949 ( -12.712 -18.406 -14.631) 26.729 12.949 ( -12.712 18.406 -14.631) 26.729 13.771 ( -2.944 -3.077 -3.270) 5.369 13.771 ( -2.944 3.077 -3.270) 5.369 15.613 ( 5.716 -3.636 6.936) 9.695 15.613 ( 5.716 3.636 6.936) 9.695 16.419 ( -7.002 -0.714 -0.880) 7.093 16.419 ( -7.002 0.714 -0.880) 7.093 18.839 ( 4.289 -3.723 -0.043) 5.680 18.839 ( 4.289 3.723 -0.043) 5.680 ======================= Grid point 370 (202/205) ======================= q-point: (-0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -14.571 -7.162 8.727) 18.433 2.580 ( -14.571 7.162 8.727) 18.433 2.860 ( 7.325 -5.379 -1.287) 9.179 2.860 ( 7.325 5.379 -1.287) 9.179 3.267 ( 3.291 -6.097 -4.812) 8.436 3.267 ( 3.291 6.097 -4.812) 8.436 4.192 ( 0.430 -2.133 -2.259) 3.137 4.192 ( 0.430 2.133 -2.259) 3.137 4.931 ( -2.300 -3.748 -0.646) 4.444 4.931 ( -2.300 3.748 -0.646) 4.444 5.322 ( 1.240 -0.528 0.303) 1.381 5.322 ( 1.240 0.528 0.303) 1.381 5.864 ( -6.575 -8.732 8.929) 14.114 5.864 ( -6.575 8.732 8.929) 14.114 6.526 ( 7.962 -8.683 -11.040) 16.145 6.526 ( 7.962 8.683 -11.040) 16.145 7.485 ( -20.835 -6.993 5.058) 22.552 7.485 ( -20.835 6.993 5.058) 22.552 7.951 ( 1.391 -6.796 2.316) 7.314 7.951 ( 1.391 6.796 2.316) 7.314 8.252 ( 10.680 -7.896 -9.492) 16.325 8.252 ( 10.680 7.896 -9.492) 16.325 8.461 ( -11.868 -7.722 2.877) 14.448 8.461 ( -11.868 7.722 2.877) 14.448 8.822 ( 18.165 -3.089 5.611) 19.261 8.822 ( 18.165 3.089 5.611) 19.261 10.252 ( 5.824 -4.541 -5.839) 9.415 10.252 ( 5.824 4.541 -5.839) 9.415 10.910 ( 0.401 -0.811 -0.730) 1.163 10.910 ( 0.401 0.811 -0.730) 1.163 12.415 ( -18.892 -18.735 -4.727) 27.023 12.415 ( -18.892 18.735 -4.727) 27.023 12.677 ( 14.530 -18.451 5.869) 24.208 12.677 ( 14.530 18.451 5.869) 24.208 13.726 ( -1.241 -1.512 1.192) 2.290 13.726 ( -1.241 1.512 1.192) 2.290 15.683 ( -2.407 -3.270 -0.018) 4.060 15.683 ( -2.407 3.270 -0.018) 4.060 16.393 ( 4.772 -2.252 1.635) 5.524 16.393 ( 4.772 2.252 1.635) 5.524 18.849 ( -2.836 -2.122 -1.062) 3.697 18.849 ( -2.836 2.122 -1.062) 3.697 ======================= Grid point 372 (203/205) ======================= q-point: (-0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -13.158 -6.027 9.910) 17.540 2.392 ( -13.158 6.027 9.910) 17.540 3.036 ( 1.611 -4.079 2.448) 5.023 3.036 ( 1.611 4.079 2.448) 5.023 3.290 ( 7.440 -11.059 2.119) 13.496 3.290 ( 7.440 11.059 2.119) 13.496 4.184 ( 0.887 -1.818 -2.250) 3.026 4.184 ( 0.887 1.818 -2.250) 3.026 4.767 ( -10.621 -8.923 -6.601) 15.362 4.767 ( -10.621 8.923 -6.601) 15.362 5.422 ( 2.515 -3.990 8.675) 9.874 5.422 ( 2.515 3.990 8.675) 9.874 5.764 ( -9.504 -6.525 4.569) 12.400 5.764 ( -9.504 6.525 4.569) 12.400 6.620 ( 10.945 -11.257 -11.106) 19.232 6.620 ( 10.945 11.257 -11.106) 19.232 7.047 ( -19.301 -4.926 -0.261) 19.922 7.047 ( -19.301 4.926 -0.261) 19.922 7.990 ( 0.271 -8.793 1.429) 8.913 7.990 ( 0.271 8.793 1.429) 8.913 8.274 ( -1.727 -6.003 -4.864) 7.917 8.274 ( -1.727 6.003 -4.864) 7.917 8.400 ( 1.680 -5.779 7.572) 9.673 8.400 ( 1.680 5.779 7.572) 9.673 9.323 ( 22.592 -1.284 4.431) 23.059 9.323 ( 22.592 1.284 4.431) 23.059 10.348 ( 10.097 -4.980 -6.378) 12.939 10.348 ( 10.097 4.980 -6.378) 12.939 10.909 ( -0.339 -1.171 -0.498) 1.317 10.909 ( -0.339 1.171 -0.498) 1.317 11.878 ( -20.958 -17.375 -15.828) 31.491 11.878 ( -20.958 17.375 -15.828) 31.491 13.024 ( 8.934 -17.985 9.624) 22.269 13.024 ( 8.934 17.985 9.624) 22.269 13.739 ( -0.912 -1.034 6.381) 6.528 13.739 ( -0.912 1.034 6.381) 6.528 15.564 ( -5.953 -6.559 -5.055) 10.198 15.564 ( -5.953 6.559 -5.055) 10.198 16.587 ( 12.163 -2.514 2.688) 12.707 16.587 ( 12.163 2.514 2.688) 12.707 18.720 ( -9.164 -2.681 -1.862) 9.728 18.720 ( -9.164 2.681 -1.862) 9.728 ======================= Grid point 374 (204/205) ======================= q-point: (-0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -7.048 -7.742 9.645) 14.235 2.279 ( -7.048 7.742 9.645) 14.235 2.819 ( -16.991 -12.533 -5.935) 21.932 2.819 ( -16.991 12.533 -5.935) 21.932 3.611 ( 10.674 -10.075 10.687) 18.157 3.611 ( 10.674 10.075 10.687) 18.157 4.178 ( -0.716 -0.934 -1.934) 2.264 4.178 ( -0.716 0.934 -1.934) 2.264 4.460 ( -12.436 -5.859 -6.053) 15.020 4.460 ( -12.436 5.859 -6.053) 15.020 5.425 ( -8.607 -6.381 5.086) 11.860 5.425 ( -8.607 6.381 5.086) 11.860 5.738 ( 4.022 -6.240 7.415) 10.492 5.738 ( 4.022 6.240 7.415) 10.492 6.656 ( 1.638 -9.521 -10.101) 13.977 6.656 ( 1.638 9.521 -10.101) 13.977 6.946 ( 6.111 -10.934 4.059) 13.167 6.946 ( 6.111 10.934 4.059) 13.167 7.972 ( -2.701 -14.606 -0.906) 14.881 7.972 ( -2.701 14.606 -0.906) 14.881 8.224 ( -1.795 -13.743 3.333) 14.255 8.224 ( -1.795 13.743 3.333) 14.255 8.536 ( 6.623 -4.446 3.097) 8.557 8.536 ( 6.623 4.446 3.097) 8.557 9.619 ( 8.506 -6.345 -3.573) 11.198 9.619 ( 8.506 6.345 -3.573) 11.198 10.457 ( 1.448 -1.259 -6.151) 6.443 10.457 ( 1.448 1.259 -6.151) 6.443 10.848 ( -4.432 -2.289 -2.744) 5.693 10.848 ( -4.432 2.289 -2.744) 5.693 11.548 ( 1.262 -13.553 -7.595) 15.587 11.548 ( 1.262 13.553 -7.595) 15.587 13.162 ( 2.040 -13.642 1.897) 13.924 13.162 ( 2.040 13.642 1.897) 13.924 13.763 ( -4.931 -1.786 9.264) 10.646 13.763 ( -4.931 1.786 9.264) 10.646 15.426 ( -3.429 -6.882 -5.194) 9.279 15.426 ( -3.429 6.882 -5.194) 9.279 16.851 ( 13.244 -2.490 1.352) 13.544 16.851 ( 13.244 2.490 1.352) 13.544 18.497 ( -12.024 -4.996 -1.594) 13.118 18.497 ( -12.024 4.996 -1.594) 13.118 ======================= Grid point 376 (205/205) ======================= q-point: (-0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -10.471 -7.487 2.974) 13.211 2.225 ( -10.471 7.487 2.974) 13.211 2.492 ( -5.306 -10.890 -1.735) 12.238 2.492 ( -5.306 10.890 -1.735) 12.238 3.571 ( -16.809 -12.427 -1.279) 20.943 3.571 ( -16.809 12.427 -1.279) 20.943 4.143 ( 1.202 -1.928 -2.066) 3.071 4.143 ( 1.202 1.928 -2.066) 3.071 4.421 ( 6.755 -5.184 2.235) 8.804 4.421 ( 6.755 5.184 2.235) 8.804 5.324 ( -4.623 -4.756 2.978) 7.270 5.324 ( -4.623 4.756 2.978) 7.270 5.932 ( 6.180 -7.505 11.742) 15.244 5.932 ( 6.180 7.505 11.742) 15.244 6.597 ( -0.651 -6.720 -6.016) 9.043 6.597 ( -0.651 6.720 -6.016) 9.043 7.166 ( 11.345 -13.966 3.415) 18.314 7.166 ( 11.345 13.966 3.415) 18.314 7.878 ( -6.796 -16.795 1.077) 18.150 7.878 ( -6.796 16.795 1.077) 18.150 8.269 ( 2.373 -12.068 5.457) 13.455 8.269 ( 2.373 12.068 5.457) 13.455 8.663 ( 6.332 -6.764 -4.178) 10.164 8.663 ( 6.332 6.764 -4.178) 10.164 9.638 ( -0.272 -7.375 -6.975) 10.154 9.638 ( -0.272 7.375 -6.975) 10.155 10.222 ( -13.007 -3.801 -8.255) 15.867 10.222 ( -13.007 3.801 -8.255) 15.867 10.811 ( 1.452 -1.022 -2.150) 2.788 10.811 ( 1.452 1.022 -2.150) 2.788 11.714 ( 12.591 -8.245 1.201) 15.099 11.714 ( 12.591 8.245 1.201) 15.099 13.192 ( 1.678 -8.640 -1.033) 8.862 13.192 ( 1.678 8.640 -1.033) 8.862 13.688 ( -8.621 -1.916 5.908) 10.625 13.688 ( -8.621 1.916 5.908) 10.625 15.351 ( -1.462 -5.110 -2.549) 5.894 15.351 ( -1.462 5.110 -2.549) 5.894 17.077 ( 9.053 -4.076 0.268) 9.932 17.077 ( 9.053 4.076 0.268) 9.932 18.280 ( -8.776 -5.427 -0.814) 10.350 18.280 ( -8.776 5.427 -0.814) 10.350 =================== 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 3/27216 10.0 969.581 1098.094 2556.374 0.000 57.526 0.000 3/27216 20.0 523.406 560.238 597.976 0.000 72.452 0.000 3/27216 30.0 186.195 175.685 183.962 0.000 23.463 0.000 3/27216 40.0 96.420 85.088 88.592 0.000 12.212 0.000 3/27216 50.0 61.137 52.175 53.890 0.000 7.816 0.000 3/27216 60.0 43.344 36.368 37.238 0.000 5.525 0.000 3/27216 70.0 33.012 27.446 27.884 0.000 4.156 0.000 3/27216 80.0 26.437 21.861 22.065 0.000 3.267 0.000 3/27216 90.0 21.968 18.099 18.172 0.000 2.655 0.000 3/27216 100.0 18.772 15.422 15.419 0.000 2.215 0.000 3/27216 110.0 16.392 13.434 13.385 0.000 1.887 0.000 3/27216 120.0 14.560 11.905 11.830 0.000 1.635 0.000 3/27216 130.0 13.110 10.696 10.606 0.000 1.437 0.000 3/27216 140.0 11.936 9.717 9.620 0.000 1.277 0.000 3/27216 150.0 10.966 8.909 8.809 0.000 1.148 0.000 3/27216 160.0 10.152 8.231 8.130 0.000 1.040 0.000 3/27216 170.0 9.459 7.653 7.554 0.000 0.950 0.000 3/27216 180.0 8.861 7.155 7.058 0.000 0.873 0.000 3/27216 190.0 8.339 6.721 6.628 0.000 0.807 0.000 3/27216 200.0 7.880 6.339 6.250 0.000 0.751 0.000 3/27216 210.0 7.473 6.001 5.915 0.000 0.701 0.000 3/27216 220.0 7.108 5.698 5.616 0.000 0.657 0.000 3/27216 230.0 6.780 5.426 5.348 0.000 0.619 0.000 3/27216 240.0 6.483 5.180 5.105 0.000 0.584 0.000 3/27216 250.0 6.212 4.957 4.885 0.000 0.554 0.000 3/27216 260.0 5.964 4.752 4.684 0.000 0.526 0.000 3/27216 270.0 5.736 4.565 4.499 0.000 0.501 0.000 3/27216 280.0 5.526 4.392 4.329 0.000 0.478 0.000 3/27216 290.0 5.332 4.233 4.172 0.000 0.457 0.000 3/27216 300.0 5.151 4.085 4.027 0.000 0.438 0.000 3/27216 310.0 4.983 3.947 3.891 0.000 0.421 0.000 3/27216 320.0 4.825 3.818 3.765 0.000 0.405 0.000 3/27216 330.0 4.678 3.698 3.647 0.000 0.390 0.000 3/27216 340.0 4.540 3.586 3.536 0.000 0.376 0.000 3/27216 350.0 4.410 3.480 3.432 0.000 0.363 0.000 3/27216 360.0 4.287 3.381 3.335 0.000 0.351 0.000 3/27216 370.0 4.171 3.287 3.242 0.000 0.340 0.000 3/27216 380.0 4.061 3.198 3.155 0.000 0.329 0.000 3/27216 390.0 3.958 3.114 3.073 0.000 0.319 0.000 3/27216 400.0 3.859 3.035 2.994 0.000 0.310 0.000 3/27216 410.0 3.765 2.959 2.920 0.000 0.301 0.000 3/27216 420.0 3.676 2.888 2.850 0.000 0.293 0.000 3/27216 430.0 3.591 2.819 2.782 0.000 0.285 0.000 3/27216 440.0 3.510 2.754 2.718 0.000 0.278 0.000 3/27216 450.0 3.432 2.692 2.657 0.000 0.271 0.000 3/27216 460.0 3.358 2.633 2.599 0.000 0.264 0.000 3/27216 470.0 3.287 2.576 2.543 0.000 0.258 0.000 3/27216 480.0 3.219 2.522 2.489 0.000 0.252 0.000 3/27216 490.0 3.154 2.470 2.438 0.000 0.246 0.000 3/27216 500.0 3.092 2.420 2.389 0.000 0.241 0.000 3/27216 510.0 3.032 2.372 2.342 0.000 0.236 0.000 3/27216 520.0 2.974 2.326 2.297 0.000 0.231 0.000 3/27216 530.0 2.918 2.282 2.253 0.000 0.226 0.000 3/27216 540.0 2.865 2.239 2.211 0.000 0.221 0.000 3/27216 550.0 2.813 2.198 2.171 0.000 0.217 0.000 3/27216 560.0 2.763 2.159 2.132 0.000 0.213 0.000 3/27216 570.0 2.715 2.121 2.094 0.000 0.208 0.000 3/27216 580.0 2.669 2.084 2.058 0.000 0.205 0.000 3/27216 590.0 2.624 2.048 2.023 0.000 0.201 0.000 3/27216 600.0 2.581 2.014 1.989 0.000 0.197 0.000 3/27216 610.0 2.539 1.981 1.956 0.000 0.194 0.000 3/27216 620.0 2.498 1.949 1.925 0.000 0.190 0.000 3/27216 630.0 2.459 1.918 1.894 0.000 0.187 0.000 3/27216 640.0 2.421 1.888 1.864 0.000 0.184 0.000 3/27216 650.0 2.384 1.858 1.836 0.000 0.181 0.000 3/27216 660.0 2.348 1.830 1.808 0.000 0.178 0.000 3/27216 670.0 2.313 1.803 1.781 0.000 0.175 0.000 3/27216 680.0 2.279 1.776 1.755 0.000 0.172 0.000 3/27216 690.0 2.247 1.750 1.729 0.000 0.170 0.000 3/27216 700.0 2.215 1.725 1.704 0.000 0.167 0.000 3/27216 710.0 2.184 1.701 1.680 0.000 0.165 0.000 3/27216 720.0 2.154 1.677 1.657 0.000 0.162 0.000 3/27216 730.0 2.125 1.654 1.634 0.000 0.160 0.000 3/27216 740.0 2.096 1.632 1.612 0.000 0.158 0.000 3/27216 750.0 2.068 1.610 1.591 0.000 0.155 0.000 3/27216 760.0 2.041 1.589 1.570 0.000 0.153 0.000 3/27216 770.0 2.015 1.568 1.549 0.000 0.151 0.000 3/27216 780.0 1.989 1.548 1.530 0.000 0.149 0.000 3/27216 790.0 1.964 1.528 1.510 0.000 0.147 0.000 3/27216 800.0 1.940 1.509 1.491 0.000 0.145 0.000 3/27216 810.0 1.916 1.491 1.473 0.000 0.143 0.000 3/27216 820.0 1.893 1.472 1.455 0.000 0.142 0.000 3/27216 830.0 1.871 1.455 1.437 0.000 0.140 0.000 3/27216 840.0 1.848 1.437 1.420 0.000 0.138 0.000 3/27216 850.0 1.827 1.420 1.404 0.000 0.136 0.000 3/27216 860.0 1.806 1.404 1.387 0.000 0.135 0.000 3/27216 870.0 1.785 1.388 1.371 0.000 0.133 0.000 3/27216 880.0 1.765 1.372 1.356 0.000 0.131 0.000 3/27216 890.0 1.745 1.357 1.341 0.000 0.130 0.000 3/27216 900.0 1.726 1.342 1.326 0.000 0.128 0.000 3/27216 910.0 1.707 1.327 1.311 0.000 0.127 0.000 3/27216 920.0 1.689 1.312 1.297 0.000 0.126 0.000 3/27216 930.0 1.671 1.298 1.283 0.000 0.124 0.000 3/27216 940.0 1.653 1.284 1.269 0.000 0.123 0.000 3/27216 950.0 1.636 1.271 1.256 0.000 0.121 0.000 3/27216 960.0 1.619 1.258 1.243 0.000 0.120 0.000 3/27216 970.0 1.602 1.245 1.230 0.000 0.119 0.000 3/27216 980.0 1.586 1.232 1.218 0.000 0.118 0.000 3/27216 990.0 1.570 1.220 1.205 0.000 0.116 0.000 3/27216 1000.0 1.555 1.207 1.193 0.000 0.115 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m989.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:11:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|