----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:19:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.009303215000000 -3.917371145000000 0.000000000000000 b 4.009303215000000 3.917371145000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.770604260000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 *3 Li 0.69555554785825 0.30444445214175 0.25000000000000 6.941 4 Li 0.30444445214175 0.69555554785825 0.75000000000000 6.941 *5 H 0.59360821178156 0.21251215262938 0.93320012399011 1.008 6 H 0.21251215262939 0.59360821178156 0.06679987600989 1.008 7 H 0.21251215262939 0.59360821178156 0.43320012399011 1.008 8 H 0.59360821178156 0.21251215262938 0.56679987600989 1.008 9 H 0.78748784737061 0.40639178821844 0.56679987600989 1.008 10 H 0.40639178821844 0.78748784737061 0.06679987600989 1.008 11 H 0.78748784737061 0.40639178821844 0.93320012399011 1.008 12 H 0.40639178821844 0.78748784737061 0.43320012399011 1.008 *13 Br 0.21205724851327 0.27563351406143 0.25000000000000 79.904 14 Br 0.27563351406143 0.21205724851327 0.75000000000000 79.904 15 Br 0.72436648593857 0.78794275148673 0.25000000000000 79.904 16 Br 0.78794275148673 0.72436648593857 0.75000000000000 79.904 *17 O 0.74101509643798 0.25898490356202 0.99548718102006 15.999 18 O 0.74101509643798 0.25898490356202 0.50451281897994 15.999 19 O 0.25898490356202 0.74101509643798 0.49548718102006 15.999 20 O 0.25898490356202 0.74101509643798 0.00451281897994 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.018606430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.834742289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.770604260000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 *3 Li 0.50000000000000 0.80444445214175 0.25000000000000 6.941 > 3 4 Li 0.50000000000000 0.19555554785825 0.75000000000000 6.941 > 4 5 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 6 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 7 Li 0.00000000000000 0.30444445214175 0.25000000000000 6.941 > 3 8 Li 0.00000000000000 0.69555554785825 0.75000000000000 6.941 > 4 *9 H 0.40306018220548 0.80945197042391 0.93320012399011 1.008 > 5 10 H 0.40306018220548 0.19054802957609 0.06679987600989 1.008 > 6 11 H 0.40306018220548 0.19054802957609 0.43320012399011 1.008 > 7 12 H 0.40306018220548 0.80945197042391 0.56679987600989 1.008 > 8 13 H 0.59693981779452 0.80945197042391 0.56679987600989 1.008 > 9 14 H 0.59693981779452 0.19054802957609 0.06679987600989 1.008 > 10 15 H 0.59693981779452 0.80945197042391 0.93320012399011 1.008 > 11 16 H 0.59693981779452 0.19054802957609 0.43320012399011 1.008 > 12 17 H 0.90306018220548 0.30945197042391 0.93320012399011 1.008 > 5 18 H 0.90306018220548 0.69054802957609 0.06679987600989 1.008 > 6 19 H 0.90306018220548 0.69054802957609 0.43320012399011 1.008 > 7 20 H 0.90306018220548 0.30945197042391 0.56679987600989 1.008 > 8 21 H 0.09693981779452 0.30945197042391 0.56679987600989 1.008 > 9 22 H 0.09693981779452 0.69054802957609 0.06679987600989 1.008 > 10 23 H 0.09693981779452 0.30945197042391 0.93320012399011 1.008 > 11 24 H 0.09693981779452 0.69054802957609 0.43320012399011 1.008 > 12 *25 Br 0.24384538128735 0.03178813277408 0.25000000000000 79.904 > 13 26 Br 0.24384538128735 0.96821186722592 0.75000000000000 79.904 > 14 27 Br 0.75615461871265 0.03178813277408 0.25000000000000 79.904 > 15 28 Br 0.75615461871265 0.96821186722592 0.75000000000000 79.904 > 16 29 Br 0.74384538128735 0.53178813277408 0.25000000000000 79.904 > 13 30 Br 0.74384538128735 0.46821186722592 0.75000000000000 79.904 > 14 31 Br 0.25615461871265 0.53178813277408 0.25000000000000 79.904 > 15 32 Br 0.25615461871265 0.46821186722592 0.75000000000000 79.904 > 16 *33 O 0.50000000000000 0.75898490356202 0.99548718102006 15.999 > 17 34 O 0.50000000000000 0.75898490356202 0.50451281897994 15.999 > 18 35 O 0.50000000000000 0.24101509643798 0.49548718102006 15.999 > 19 36 O 0.50000000000000 0.24101509643798 0.00451281897994 15.999 > 20 37 O 0.00000000000000 0.25898490356202 0.99548718102006 15.999 > 17 38 O 0.00000000000000 0.25898490356202 0.50451281897994 15.999 > 18 39 O 0.00000000000000 0.74101509643798 0.49548718102006 15.999 > 19 40 O 0.00000000000000 0.74101509643798 0.00451281897994 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.018606430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.834742289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.541208520000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 2 4 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 *5 Li 0.50000000000000 0.80444445214175 0.12500000000000 6.941 > 3 6 Li 0.50000000000000 0.80444445214175 0.62500000000000 6.941 > 3 7 Li 0.50000000000000 0.19555554785825 0.37500000000000 6.941 > 4 8 Li 0.50000000000000 0.19555554785825 0.87500000000000 6.941 > 4 9 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 11 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 2 12 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 2 13 Li 0.00000000000000 0.30444445214175 0.12500000000000 6.941 > 3 14 Li 0.00000000000000 0.30444445214175 0.62500000000000 6.941 > 3 15 Li 0.00000000000000 0.69555554785825 0.37500000000000 6.941 > 4 16 Li 0.00000000000000 0.69555554785825 0.87500000000000 6.941 > 4 *17 H 0.40306018220548 0.80945197042391 0.46660006199505 1.008 > 5 18 H 0.40306018220548 0.80945197042391 0.96660006199505 1.008 > 5 19 H 0.40306018220548 0.19054802957609 0.03339993800495 1.008 > 6 20 H 0.40306018220548 0.19054802957609 0.53339993800495 1.008 > 6 21 H 0.40306018220548 0.19054802957609 0.21660006199505 1.008 > 7 22 H 0.40306018220548 0.19054802957609 0.71660006199505 1.008 > 7 23 H 0.40306018220548 0.80945197042391 0.28339993800495 1.008 > 8 24 H 0.40306018220548 0.80945197042391 0.78339993800495 1.008 > 8 25 H 0.59693981779452 0.80945197042391 0.28339993800495 1.008 > 9 26 H 0.59693981779452 0.80945197042391 0.78339993800495 1.008 > 9 27 H 0.59693981779452 0.19054802957609 0.03339993800495 1.008 > 10 28 H 0.59693981779452 0.19054802957609 0.53339993800495 1.008 > 10 29 H 0.59693981779452 0.80945197042391 0.46660006199505 1.008 > 11 30 H 0.59693981779452 0.80945197042391 0.96660006199505 1.008 > 11 31 H 0.59693981779452 0.19054802957609 0.21660006199505 1.008 > 12 32 H 0.59693981779452 0.19054802957609 0.71660006199505 1.008 > 12 33 H 0.90306018220548 0.30945197042391 0.46660006199505 1.008 > 5 34 H 0.90306018220548 0.30945197042391 0.96660006199505 1.008 > 5 35 H 0.90306018220548 0.69054802957609 0.03339993800495 1.008 > 6 36 H 0.90306018220548 0.69054802957609 0.53339993800495 1.008 > 6 37 H 0.90306018220548 0.69054802957609 0.21660006199505 1.008 > 7 38 H 0.90306018220548 0.69054802957609 0.71660006199505 1.008 > 7 39 H 0.90306018220548 0.30945197042391 0.28339993800495 1.008 > 8 40 H 0.90306018220548 0.30945197042391 0.78339993800495 1.008 > 8 41 H 0.09693981779452 0.30945197042391 0.28339993800495 1.008 > 9 42 H 0.09693981779452 0.30945197042391 0.78339993800495 1.008 > 9 43 H 0.09693981779452 0.69054802957609 0.03339993800495 1.008 > 10 44 H 0.09693981779452 0.69054802957609 0.53339993800495 1.008 > 10 45 H 0.09693981779452 0.30945197042391 0.46660006199505 1.008 > 11 46 H 0.09693981779452 0.30945197042391 0.96660006199505 1.008 > 11 47 H 0.09693981779452 0.69054802957609 0.21660006199505 1.008 > 12 48 H 0.09693981779452 0.69054802957609 0.71660006199505 1.008 > 12 *49 Br 0.24384538128735 0.03178813277408 0.12500000000000 79.904 > 13 50 Br 0.24384538128735 0.03178813277408 0.62500000000000 79.904 > 13 51 Br 0.24384538128735 0.96821186722592 0.37500000000000 79.904 > 14 52 Br 0.24384538128735 0.96821186722592 0.87500000000000 79.904 > 14 53 Br 0.75615461871265 0.03178813277408 0.12500000000000 79.904 > 15 54 Br 0.75615461871265 0.03178813277408 0.62500000000000 79.904 > 15 55 Br 0.75615461871265 0.96821186722592 0.37500000000000 79.904 > 16 56 Br 0.75615461871265 0.96821186722592 0.87500000000000 79.904 > 16 57 Br 0.74384538128735 0.53178813277408 0.12500000000000 79.904 > 13 58 Br 0.74384538128735 0.53178813277408 0.62500000000000 79.904 > 13 59 Br 0.74384538128735 0.46821186722592 0.37500000000000 79.904 > 14 60 Br 0.74384538128735 0.46821186722592 0.87500000000000 79.904 > 14 61 Br 0.25615461871265 0.53178813277408 0.12500000000000 79.904 > 15 62 Br 0.25615461871265 0.53178813277408 0.62500000000000 79.904 > 15 63 Br 0.25615461871265 0.46821186722592 0.37500000000000 79.904 > 16 64 Br 0.25615461871265 0.46821186722592 0.87500000000000 79.904 > 16 *65 O 0.50000000000000 0.75898490356202 0.49774359051003 15.999 > 17 66 O 0.50000000000000 0.75898490356202 0.99774359051003 15.999 > 17 67 O 0.50000000000000 0.75898490356202 0.25225640948997 15.999 > 18 68 O 0.50000000000000 0.75898490356202 0.75225640948997 15.999 > 18 69 O 0.50000000000000 0.24101509643798 0.24774359051003 15.999 > 19 70 O 0.50000000000000 0.24101509643798 0.74774359051003 15.999 > 19 71 O 0.50000000000000 0.24101509643798 0.00225640948997 15.999 > 20 72 O 0.50000000000000 0.24101509643798 0.50225640948997 15.999 > 20 73 O 0.00000000000000 0.25898490356202 0.49774359051003 15.999 > 17 74 O 0.00000000000000 0.25898490356202 0.99774359051003 15.999 > 17 75 O 0.00000000000000 0.25898490356202 0.25225640948997 15.999 > 18 76 O 0.00000000000000 0.25898490356202 0.75225640948997 15.999 > 18 77 O 0.00000000000000 0.74101509643798 0.24774359051003 15.999 > 19 78 O 0.00000000000000 0.74101509643798 0.74774359051003 15.999 > 19 79 O 0.00000000000000 0.74101509643798 0.00225640948997 15.999 > 20 80 O 0.00000000000000 0.74101509643798 0.50225640948997 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1214869 0.0000000 0.0000000 0.0000000 2.9997034 0.0000000 0.0000000 0.0000000 3.0668360 -------------------------- Born effective charges -------------------------- 1 Li 1.3367494 0.0000000 0.0000000 0.0000000 1.0051605 0.1450045 0.0000000 -0.0249730 1.2800361 2 Li 1.3367494 0.0000000 0.0000000 0.0000000 1.0051605 -0.1450045 0.0000000 0.0249730 1.2800361 3 Li 1.2776428 0.0000000 0.0000000 0.0000000 1.2470852 0.0000000 0.0000000 0.0000000 1.0099709 4 Li 1.2776428 0.0000000 0.0000000 0.0000000 1.2470852 0.0000000 0.0000000 0.0000000 1.0099709 5 H 0.7099960 -0.2352066 0.2945651 -0.2722657 0.5506401 -0.1579442 0.3401132 -0.1834224 0.6206435 6 H 0.7099960 0.2352066 -0.2945651 0.2722657 0.5506401 -0.1579442 -0.3401132 -0.1834224 0.6206435 7 H 0.7099960 0.2352066 0.2945651 0.2722657 0.5506401 0.1579442 0.3401132 0.1834224 0.6206435 8 H 0.7099960 -0.2352066 -0.2945651 -0.2722657 0.5506401 0.1579442 -0.3401132 0.1834224 0.6206435 9 H 0.7099960 0.2352066 0.2945651 0.2722657 0.5506401 0.1579442 0.3401132 0.1834224 0.6206435 10 H 0.7099960 -0.2352066 0.2945651 -0.2722657 0.5506401 -0.1579442 0.3401132 -0.1834224 0.6206435 11 H 0.7099960 0.2352066 -0.2945651 0.2722657 0.5506401 -0.1579442 -0.3401132 -0.1834224 0.6206435 12 H 0.7099960 -0.2352066 -0.2945651 -0.2722657 0.5506401 0.1579442 -0.3401132 0.1834224 0.6206435 13 Br -1.2486445 -0.0857325 0.0000000 -0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 14 Br -1.2486445 0.0857325 0.0000000 0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 15 Br -1.2486445 0.0857325 0.0000000 0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 16 Br -1.2486445 -0.0857325 0.0000000 -0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 17 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 0.1283209 0.0000000 0.1709586 -1.2702590 18 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 -0.1283209 0.0000000 -0.1709586 -1.2702590 19 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 -0.1283209 0.0000000 -0.1709586 -1.2702590 20 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 0.1283209 0.0000000 0.1709586 -1.2702590 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 8268/8268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 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: 224 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 152 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 989), data: False |-- (152, 147), data: True |-- (152, 147), data: True |-- (152, 147), data: True |-- (160, 158), data: True |-- (176, 172), data: True |-- (224, 218), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.763 Solver_block: 200 / 320 - Time: 0.765 Solver_block: 300 / 320 - Time: 0.766 Solver_block: 320 / 320 - Time: 0.195 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.508 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 8268/8268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1016 Number of blocks in projector: 1016 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: 224 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 152 Use standard eigh solver. Tree of FC basis block matrices: - (1016, 989), data: False |-- (152, 147), data: True |-- (152, 147), data: True |-- (152, 147), data: True |-- (160, 158), data: True |-- (176, 172), data: True |-- (224, 218), 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 23:20:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:20:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.009303215000000 -3.917371145000000 0.000000000000000 b 4.009303215000000 3.917371145000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.770604260000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.69555554785825 0.30444445214175 0.25000000000000 6.941 4 Li 0.30444445214175 0.69555554785825 0.75000000000000 6.941 5 H 0.59360821178156 0.21251215262938 0.93320012399011 1.008 6 H 0.21251215262939 0.59360821178156 0.06679987600989 1.008 7 H 0.21251215262939 0.59360821178156 0.43320012399011 1.008 8 H 0.59360821178156 0.21251215262938 0.56679987600989 1.008 9 H 0.78748784737061 0.40639178821844 0.56679987600989 1.008 10 H 0.40639178821844 0.78748784737061 0.06679987600989 1.008 11 H 0.78748784737061 0.40639178821844 0.93320012399011 1.008 12 H 0.40639178821844 0.78748784737061 0.43320012399011 1.008 13 Br 0.21205724851327 0.27563351406143 0.25000000000000 79.904 14 Br 0.27563351406143 0.21205724851327 0.75000000000000 79.904 15 Br 0.72436648593857 0.78794275148673 0.25000000000000 79.904 16 Br 0.78794275148673 0.72436648593857 0.75000000000000 79.904 17 O 0.74101509643798 0.25898490356202 0.99548718102006 15.999 18 O 0.74101509643798 0.25898490356202 0.50451281897994 15.999 19 O 0.25898490356202 0.74101509643798 0.49548718102006 15.999 20 O 0.25898490356202 0.74101509643798 0.00451281897994 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.018606430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.834742289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.541208520000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.80444445214175 0.12500000000000 6.941 > 5 6 Li 0.50000000000000 0.80444445214175 0.62500000000000 6.941 > 5 7 Li 0.50000000000000 0.19555554785825 0.37500000000000 6.941 > 7 8 Li 0.50000000000000 0.19555554785825 0.87500000000000 6.941 > 7 9 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 11 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 3 12 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 3 13 Li 0.00000000000000 0.30444445214175 0.12500000000000 6.941 > 5 14 Li 0.00000000000000 0.30444445214175 0.62500000000000 6.941 > 5 15 Li 0.00000000000000 0.69555554785825 0.37500000000000 6.941 > 7 16 Li 0.00000000000000 0.69555554785825 0.87500000000000 6.941 > 7 17 H 0.40306018220548 0.80945197042391 0.46660006199505 1.008 > 17 18 H 0.40306018220548 0.80945197042391 0.96660006199505 1.008 > 17 19 H 0.40306018220548 0.19054802957609 0.03339993800495 1.008 > 19 20 H 0.40306018220548 0.19054802957609 0.53339993800495 1.008 > 19 21 H 0.40306018220548 0.19054802957609 0.21660006199505 1.008 > 21 22 H 0.40306018220548 0.19054802957609 0.71660006199505 1.008 > 21 23 H 0.40306018220548 0.80945197042391 0.28339993800495 1.008 > 23 24 H 0.40306018220548 0.80945197042391 0.78339993800495 1.008 > 23 25 H 0.59693981779452 0.80945197042391 0.28339993800495 1.008 > 25 26 H 0.59693981779452 0.80945197042391 0.78339993800495 1.008 > 25 27 H 0.59693981779452 0.19054802957609 0.03339993800495 1.008 > 27 28 H 0.59693981779452 0.19054802957609 0.53339993800495 1.008 > 27 29 H 0.59693981779452 0.80945197042391 0.46660006199505 1.008 > 29 30 H 0.59693981779452 0.80945197042391 0.96660006199505 1.008 > 29 31 H 0.59693981779452 0.19054802957609 0.21660006199505 1.008 > 31 32 H 0.59693981779452 0.19054802957609 0.71660006199505 1.008 > 31 33 H 0.90306018220548 0.30945197042391 0.46660006199505 1.008 > 17 34 H 0.90306018220548 0.30945197042391 0.96660006199505 1.008 > 17 35 H 0.90306018220548 0.69054802957609 0.03339993800495 1.008 > 19 36 H 0.90306018220548 0.69054802957609 0.53339993800495 1.008 > 19 37 H 0.90306018220548 0.69054802957609 0.21660006199505 1.008 > 21 38 H 0.90306018220548 0.69054802957609 0.71660006199505 1.008 > 21 39 H 0.90306018220548 0.30945197042391 0.28339993800495 1.008 > 23 40 H 0.90306018220548 0.30945197042391 0.78339993800495 1.008 > 23 41 H 0.09693981779452 0.30945197042391 0.28339993800495 1.008 > 25 42 H 0.09693981779452 0.30945197042391 0.78339993800495 1.008 > 25 43 H 0.09693981779452 0.69054802957609 0.03339993800495 1.008 > 27 44 H 0.09693981779452 0.69054802957609 0.53339993800495 1.008 > 27 45 H 0.09693981779452 0.30945197042391 0.46660006199505 1.008 > 29 46 H 0.09693981779452 0.30945197042391 0.96660006199505 1.008 > 29 47 H 0.09693981779452 0.69054802957609 0.21660006199505 1.008 > 31 48 H 0.09693981779452 0.69054802957609 0.71660006199505 1.008 > 31 49 Br 0.24384538128735 0.03178813277408 0.12500000000000 79.904 > 49 50 Br 0.24384538128735 0.03178813277408 0.62500000000000 79.904 > 49 51 Br 0.24384538128735 0.96821186722592 0.37500000000000 79.904 > 51 52 Br 0.24384538128735 0.96821186722592 0.87500000000000 79.904 > 51 53 Br 0.75615461871265 0.03178813277408 0.12500000000000 79.904 > 53 54 Br 0.75615461871265 0.03178813277408 0.62500000000000 79.904 > 53 55 Br 0.75615461871265 0.96821186722592 0.37500000000000 79.904 > 55 56 Br 0.75615461871265 0.96821186722592 0.87500000000000 79.904 > 55 57 Br 0.74384538128735 0.53178813277408 0.12500000000000 79.904 > 49 58 Br 0.74384538128735 0.53178813277408 0.62500000000000 79.904 > 49 59 Br 0.74384538128735 0.46821186722592 0.37500000000000 79.904 > 51 60 Br 0.74384538128735 0.46821186722592 0.87500000000000 79.904 > 51 61 Br 0.25615461871265 0.53178813277408 0.12500000000000 79.904 > 53 62 Br 0.25615461871265 0.53178813277408 0.62500000000000 79.904 > 53 63 Br 0.25615461871265 0.46821186722592 0.37500000000000 79.904 > 55 64 Br 0.25615461871265 0.46821186722592 0.87500000000000 79.904 > 55 65 O 0.50000000000000 0.75898490356202 0.49774359051003 15.999 > 65 66 O 0.50000000000000 0.75898490356202 0.99774359051003 15.999 > 65 67 O 0.50000000000000 0.75898490356202 0.25225640948997 15.999 > 67 68 O 0.50000000000000 0.75898490356202 0.75225640948997 15.999 > 67 69 O 0.50000000000000 0.24101509643798 0.24774359051003 15.999 > 69 70 O 0.50000000000000 0.24101509643798 0.74774359051003 15.999 > 69 71 O 0.50000000000000 0.24101509643798 0.00225640948997 15.999 > 71 72 O 0.50000000000000 0.24101509643798 0.50225640948997 15.999 > 71 73 O 0.00000000000000 0.25898490356202 0.49774359051003 15.999 > 65 74 O 0.00000000000000 0.25898490356202 0.99774359051003 15.999 > 65 75 O 0.00000000000000 0.25898490356202 0.25225640948997 15.999 > 67 76 O 0.00000000000000 0.25898490356202 0.75225640948997 15.999 > 67 77 O 0.00000000000000 0.74101509643798 0.24774359051003 15.999 > 69 78 O 0.00000000000000 0.74101509643798 0.74774359051003 15.999 > 69 79 O 0.00000000000000 0.74101509643798 0.00225640948997 15.999 > 71 80 O 0.00000000000000 0.74101509643798 0.50225640948997 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1214869 0.0000000 0.0000000 0.0000000 2.9997034 0.0000000 0.0000000 0.0000000 3.0668360 -------------------------- Born effective charges -------------------------- 1 Li 1.3367494 0.0000000 0.0000000 0.0000000 1.0051605 0.1450045 0.0000000 -0.0249730 1.2800361 2 Li 1.3367494 0.0000000 0.0000000 0.0000000 1.0051605 -0.1450045 0.0000000 0.0249730 1.2800361 3 Li 1.2776428 0.0000000 0.0000000 0.0000000 1.2470852 0.0000000 0.0000000 0.0000000 1.0099709 4 Li 1.2776428 0.0000000 0.0000000 0.0000000 1.2470852 0.0000000 0.0000000 0.0000000 1.0099709 5 H 0.7099960 -0.2352066 0.2945651 -0.2722657 0.5506401 -0.1579442 0.3401132 -0.1834224 0.6206435 6 H 0.7099960 0.2352066 -0.2945651 0.2722657 0.5506401 -0.1579442 -0.3401132 -0.1834224 0.6206435 7 H 0.7099960 0.2352066 0.2945651 0.2722657 0.5506401 0.1579442 0.3401132 0.1834224 0.6206435 8 H 0.7099960 -0.2352066 -0.2945651 -0.2722657 0.5506401 0.1579442 -0.3401132 0.1834224 0.6206435 9 H 0.7099960 0.2352066 0.2945651 0.2722657 0.5506401 0.1579442 0.3401132 0.1834224 0.6206435 10 H 0.7099960 -0.2352066 0.2945651 -0.2722657 0.5506401 -0.1579442 0.3401132 -0.1834224 0.6206435 11 H 0.7099960 0.2352066 -0.2945651 0.2722657 0.5506401 -0.1579442 -0.3401132 -0.1834224 0.6206435 12 H 0.7099960 -0.2352066 -0.2945651 -0.2722657 0.5506401 0.1579442 -0.3401132 0.1834224 0.6206435 13 Br -1.2486445 -0.0857325 0.0000000 -0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 14 Br -1.2486445 0.0857325 0.0000000 0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 15 Br -1.2486445 0.0857325 0.0000000 0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 16 Br -1.2486445 -0.0857325 0.0000000 -0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 17 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 0.1283209 0.0000000 0.1709586 -1.2702590 18 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 -0.1283209 0.0000000 -0.1709586 -1.2702590 19 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 -0.1283209 0.0000000 -0.1709586 -1.2702590 20 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 0.1283209 0.0000000 0.1709586 -1.2702590 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000031 (xyx) 0.00000031 (xyx) 0.00000031 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (yz) 0.00000005 (yz) 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 23:20:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:20:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.009303215000000 -3.917371145000000 0.000000000000000 b 4.009303215000000 3.917371145000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.770604260000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.69555554785825 0.30444445214175 0.25000000000000 6.941 4 Li 0.30444445214175 0.69555554785825 0.75000000000000 6.941 5 H 0.59360821178156 0.21251215262938 0.93320012399011 1.008 6 H 0.21251215262939 0.59360821178156 0.06679987600989 1.008 7 H 0.21251215262939 0.59360821178156 0.43320012399011 1.008 8 H 0.59360821178156 0.21251215262938 0.56679987600989 1.008 9 H 0.78748784737061 0.40639178821844 0.56679987600989 1.008 10 H 0.40639178821844 0.78748784737061 0.06679987600989 1.008 11 H 0.78748784737061 0.40639178821844 0.93320012399011 1.008 12 H 0.40639178821844 0.78748784737061 0.43320012399011 1.008 13 Br 0.21205724851327 0.27563351406143 0.25000000000000 79.904 14 Br 0.27563351406143 0.21205724851327 0.75000000000000 79.904 15 Br 0.72436648593857 0.78794275148673 0.25000000000000 79.904 16 Br 0.78794275148673 0.72436648593857 0.75000000000000 79.904 17 O 0.74101509643798 0.25898490356202 0.99548718102006 15.999 18 O 0.74101509643798 0.25898490356202 0.50451281897994 15.999 19 O 0.25898490356202 0.74101509643798 0.49548718102006 15.999 20 O 0.25898490356202 0.74101509643798 0.00451281897994 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.018606430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.834742289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.541208520000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.80444445214175 0.12500000000000 6.941 > 5 6 Li 0.50000000000000 0.80444445214175 0.62500000000000 6.941 > 5 7 Li 0.50000000000000 0.19555554785825 0.37500000000000 6.941 > 7 8 Li 0.50000000000000 0.19555554785825 0.87500000000000 6.941 > 7 9 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 11 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 3 12 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 3 13 Li 0.00000000000000 0.30444445214175 0.12500000000000 6.941 > 5 14 Li 0.00000000000000 0.30444445214175 0.62500000000000 6.941 > 5 15 Li 0.00000000000000 0.69555554785825 0.37500000000000 6.941 > 7 16 Li 0.00000000000000 0.69555554785825 0.87500000000000 6.941 > 7 17 H 0.40306018220548 0.80945197042391 0.46660006199505 1.008 > 17 18 H 0.40306018220548 0.80945197042391 0.96660006199505 1.008 > 17 19 H 0.40306018220548 0.19054802957609 0.03339993800495 1.008 > 19 20 H 0.40306018220548 0.19054802957609 0.53339993800495 1.008 > 19 21 H 0.40306018220548 0.19054802957609 0.21660006199505 1.008 > 21 22 H 0.40306018220548 0.19054802957609 0.71660006199505 1.008 > 21 23 H 0.40306018220548 0.80945197042391 0.28339993800495 1.008 > 23 24 H 0.40306018220548 0.80945197042391 0.78339993800495 1.008 > 23 25 H 0.59693981779452 0.80945197042391 0.28339993800495 1.008 > 25 26 H 0.59693981779452 0.80945197042391 0.78339993800495 1.008 > 25 27 H 0.59693981779452 0.19054802957609 0.03339993800495 1.008 > 27 28 H 0.59693981779452 0.19054802957609 0.53339993800495 1.008 > 27 29 H 0.59693981779452 0.80945197042391 0.46660006199505 1.008 > 29 30 H 0.59693981779452 0.80945197042391 0.96660006199505 1.008 > 29 31 H 0.59693981779452 0.19054802957609 0.21660006199505 1.008 > 31 32 H 0.59693981779452 0.19054802957609 0.71660006199505 1.008 > 31 33 H 0.90306018220548 0.30945197042391 0.46660006199505 1.008 > 17 34 H 0.90306018220548 0.30945197042391 0.96660006199505 1.008 > 17 35 H 0.90306018220548 0.69054802957609 0.03339993800495 1.008 > 19 36 H 0.90306018220548 0.69054802957609 0.53339993800495 1.008 > 19 37 H 0.90306018220548 0.69054802957609 0.21660006199505 1.008 > 21 38 H 0.90306018220548 0.69054802957609 0.71660006199505 1.008 > 21 39 H 0.90306018220548 0.30945197042391 0.28339993800495 1.008 > 23 40 H 0.90306018220548 0.30945197042391 0.78339993800495 1.008 > 23 41 H 0.09693981779452 0.30945197042391 0.28339993800495 1.008 > 25 42 H 0.09693981779452 0.30945197042391 0.78339993800495 1.008 > 25 43 H 0.09693981779452 0.69054802957609 0.03339993800495 1.008 > 27 44 H 0.09693981779452 0.69054802957609 0.53339993800495 1.008 > 27 45 H 0.09693981779452 0.30945197042391 0.46660006199505 1.008 > 29 46 H 0.09693981779452 0.30945197042391 0.96660006199505 1.008 > 29 47 H 0.09693981779452 0.69054802957609 0.21660006199505 1.008 > 31 48 H 0.09693981779452 0.69054802957609 0.71660006199505 1.008 > 31 49 Br 0.24384538128735 0.03178813277408 0.12500000000000 79.904 > 49 50 Br 0.24384538128735 0.03178813277408 0.62500000000000 79.904 > 49 51 Br 0.24384538128735 0.96821186722592 0.37500000000000 79.904 > 51 52 Br 0.24384538128735 0.96821186722592 0.87500000000000 79.904 > 51 53 Br 0.75615461871265 0.03178813277408 0.12500000000000 79.904 > 53 54 Br 0.75615461871265 0.03178813277408 0.62500000000000 79.904 > 53 55 Br 0.75615461871265 0.96821186722592 0.37500000000000 79.904 > 55 56 Br 0.75615461871265 0.96821186722592 0.87500000000000 79.904 > 55 57 Br 0.74384538128735 0.53178813277408 0.12500000000000 79.904 > 49 58 Br 0.74384538128735 0.53178813277408 0.62500000000000 79.904 > 49 59 Br 0.74384538128735 0.46821186722592 0.37500000000000 79.904 > 51 60 Br 0.74384538128735 0.46821186722592 0.87500000000000 79.904 > 51 61 Br 0.25615461871265 0.53178813277408 0.12500000000000 79.904 > 53 62 Br 0.25615461871265 0.53178813277408 0.62500000000000 79.904 > 53 63 Br 0.25615461871265 0.46821186722592 0.37500000000000 79.904 > 55 64 Br 0.25615461871265 0.46821186722592 0.87500000000000 79.904 > 55 65 O 0.50000000000000 0.75898490356202 0.49774359051003 15.999 > 65 66 O 0.50000000000000 0.75898490356202 0.99774359051003 15.999 > 65 67 O 0.50000000000000 0.75898490356202 0.25225640948997 15.999 > 67 68 O 0.50000000000000 0.75898490356202 0.75225640948997 15.999 > 67 69 O 0.50000000000000 0.24101509643798 0.24774359051003 15.999 > 69 70 O 0.50000000000000 0.24101509643798 0.74774359051003 15.999 > 69 71 O 0.50000000000000 0.24101509643798 0.00225640948997 15.999 > 71 72 O 0.50000000000000 0.24101509643798 0.50225640948997 15.999 > 71 73 O 0.00000000000000 0.25898490356202 0.49774359051003 15.999 > 65 74 O 0.00000000000000 0.25898490356202 0.99774359051003 15.999 > 65 75 O 0.00000000000000 0.25898490356202 0.25225640948997 15.999 > 67 76 O 0.00000000000000 0.25898490356202 0.75225640948997 15.999 > 67 77 O 0.00000000000000 0.74101509643798 0.24774359051003 15.999 > 69 78 O 0.00000000000000 0.74101509643798 0.74774359051003 15.999 > 69 79 O 0.00000000000000 0.74101509643798 0.00225640948997 15.999 > 71 80 O 0.00000000000000 0.74101509643798 0.50225640948997 15.999 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1214869 0.0000000 0.0000000 0.0000000 2.9997034 0.0000000 0.0000000 0.0000000 3.0668360 -------------------------- Born effective charges -------------------------- 1 Li 1.3367494 0.0000000 0.0000000 0.0000000 1.0051605 0.1450045 0.0000000 -0.0249730 1.2800361 2 Li 1.3367494 0.0000000 0.0000000 0.0000000 1.0051605 -0.1450045 0.0000000 0.0249730 1.2800361 3 Li 1.2776428 0.0000000 0.0000000 0.0000000 1.2470852 0.0000000 0.0000000 0.0000000 1.0099709 4 Li 1.2776428 0.0000000 0.0000000 0.0000000 1.2470852 0.0000000 0.0000000 0.0000000 1.0099709 5 H 0.7099960 -0.2352066 0.2945651 -0.2722657 0.5506401 -0.1579442 0.3401132 -0.1834224 0.6206435 6 H 0.7099960 0.2352066 -0.2945651 0.2722657 0.5506401 -0.1579442 -0.3401132 -0.1834224 0.6206435 7 H 0.7099960 0.2352066 0.2945651 0.2722657 0.5506401 0.1579442 0.3401132 0.1834224 0.6206435 8 H 0.7099960 -0.2352066 -0.2945651 -0.2722657 0.5506401 0.1579442 -0.3401132 0.1834224 0.6206435 9 H 0.7099960 0.2352066 0.2945651 0.2722657 0.5506401 0.1579442 0.3401132 0.1834224 0.6206435 10 H 0.7099960 -0.2352066 0.2945651 -0.2722657 0.5506401 -0.1579442 0.3401132 -0.1834224 0.6206435 11 H 0.7099960 0.2352066 -0.2945651 0.2722657 0.5506401 -0.1579442 -0.3401132 -0.1834224 0.6206435 12 H 0.7099960 -0.2352066 -0.2945651 -0.2722657 0.5506401 0.1579442 -0.3401132 0.1834224 0.6206435 13 Br -1.2486445 -0.0857325 0.0000000 -0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 14 Br -1.2486445 0.0857325 0.0000000 0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 15 Br -1.2486445 0.0857325 0.0000000 0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 16 Br -1.2486445 -0.0857325 0.0000000 -0.0316770 -1.0297816 0.0000000 0.0000000 0.0000000 -1.1160315 17 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 0.1283209 0.0000000 0.1709586 -1.2702590 18 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 -0.1283209 0.0000000 -0.1709586 -1.2702590 19 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 -0.1283209 0.0000000 -0.1709586 -1.2702590 20 O -1.4785436 0.0000000 0.0000000 0.0000000 -1.1976215 0.1283209 0.0000000 0.1709586 -1.2702590 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000031 (xyx) 0.00000031 (xyx) 0.00000031 (xxy) 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 9 6 ] 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: 0.66, Number of G-points: 311, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.388 ( 0.000 0.000 0.000) 0.000 7.527 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 12.172 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.942 ( 0.000 0.000 0.000) 0.000 14.608 ( 0.000 0.000 0.000) 0.000 14.962 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 17.037 ( 0.000 0.000 0.000) 0.000 17.089 ( 0.000 0.000 0.000) 0.000 17.850 ( 0.000 0.000 0.000) 0.000 18.276 ( 0.000 0.000 0.000) 0.000 20.127 ( 0.000 0.000 0.000) 0.000 20.140 ( 0.000 0.000 0.000) 0.000 21.196 ( 0.000 0.000 0.000) 0.000 22.437 ( 0.000 0.000 0.000) 0.000 22.480 ( 0.000 0.000 0.000) 0.000 46.434 ( 0.000 0.000 0.000) 0.000 47.221 ( 0.000 0.000 0.000) 0.000 47.358 ( 0.000 0.000 0.000) 0.000 47.817 ( 0.000 0.000 0.000) 0.000 98.798 ( 0.000 0.000 0.000) 0.000 98.808 ( 0.000 0.000 0.000) 0.000 99.068 ( 0.000 0.000 0.000) 0.000 99.225 ( 0.000 0.000 0.000) 0.000 99.258 ( 0.000 0.000 0.000) 0.000 99.524 ( 0.000 0.000 0.000) 0.000 99.866 ( 0.000 0.000 0.000) 0.000 100.015 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.359 ( 9.452 -15.736 0.000) 18.357 0.488 ( 17.301 -16.835 0.000) 24.140 0.797 ( 25.994 -28.916 0.000) 38.882 1.939 ( 1.143 0.060 0.000) 1.144 2.145 ( 0.068 -0.250 0.000) 0.259 2.163 ( 2.288 -0.803 0.000) 2.425 2.349 ( -0.637 0.662 0.000) 0.918 2.593 ( -7.984 -1.753 0.000) 8.174 2.793 ( -2.966 1.951 0.000) 3.550 2.797 ( 2.083 2.598 0.000) 3.330 3.133 ( -4.304 1.444 0.000) 4.539 3.146 ( -3.748 3.359 0.000) 5.033 3.737 ( -0.575 1.876 0.000) 1.962 4.091 ( -11.925 -14.815 0.000) 19.018 4.258 ( 5.406 6.613 0.000) 8.541 4.310 ( -0.443 -2.056 0.000) 2.103 4.574 ( 1.642 0.310 0.000) 1.671 4.690 ( 0.139 -11.867 0.000) 11.868 4.817 ( -0.592 -1.123 0.000) 1.269 5.313 ( 6.123 7.464 0.000) 9.654 5.823 ( 19.458 22.846 0.000) 30.009 6.129 ( -0.571 -0.703 0.000) 0.906 6.195 ( 18.287 25.530 0.000) 31.404 6.436 ( -1.230 1.638 0.000) 2.048 6.502 ( 4.170 5.080 0.000) 6.572 6.579 ( 0.411 -1.656 0.000) 1.706 7.060 ( 6.869 -3.934 0.000) 7.915 7.185 ( 13.549 -1.003 0.000) 13.586 7.382 ( 2.069 3.060 0.000) 3.694 8.328 ( 3.614 -2.621 0.000) 4.464 8.492 ( -5.468 -4.203 0.000) 6.896 8.685 ( 3.633 -2.150 0.000) 4.221 12.166 ( -0.119 0.682 0.000) 0.692 13.718 ( -26.348 -23.563 0.000) 35.347 13.933 ( -1.937 -1.006 0.000) 2.183 14.622 ( -0.406 -1.735 0.000) 1.782 15.039 ( 10.673 -0.285 0.000) 10.677 16.674 ( 24.905 22.959 0.000) 33.873 16.822 ( -6.141 -1.336 0.000) 6.285 17.076 ( 3.079 -2.508 0.000) 3.971 17.108 ( 1.593 -1.631 0.000) 2.280 17.925 ( 5.587 -4.837 0.000) 7.390 18.247 ( -2.063 2.019 0.000) 2.886 20.058 ( -7.179 5.624 0.000) 9.120 20.115 ( -0.846 2.481 0.000) 2.622 21.219 ( 0.831 -2.245 0.000) 2.394 22.426 ( -0.381 6.521 0.000) 6.532 23.192 ( -48.676 -47.368 0.000) 67.919 46.464 ( 4.476 0.199 0.000) 4.481 47.333 ( -4.073 -0.447 0.000) 4.098 47.359 ( -6.235 -7.533 0.000) 9.779 47.807 ( -2.777 -1.269 0.000) 3.054 98.799 ( 0.143 0.196 0.000) 0.243 98.806 ( -0.198 -0.040 0.000) 0.202 99.068 ( -0.347 -0.338 0.000) 0.485 99.213 ( -0.308 1.256 0.000) 1.293 99.278 ( 1.927 -0.889 0.000) 2.122 99.541 ( -0.260 -2.420 0.000) 2.434 99.953 ( 4.059 6.192 0.000) 7.404 101.014 ( 28.580 28.422 0.000) 40.307 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.698 ( 8.217 -14.399 0.000) 16.579 0.947 ( 15.828 -15.202 0.000) 21.945 1.508 ( 20.715 -24.069 0.000) 31.756 1.958 ( 1.734 0.433 0.000) 1.788 2.144 ( -0.451 0.597 0.000) 0.748 2.209 ( 3.229 -0.252 0.000) 3.239 2.338 ( -0.474 -1.070 0.000) 1.170 2.517 ( -6.913 -3.040 0.000) 7.552 2.689 ( -5.939 3.752 0.000) 7.025 2.776 ( 0.660 2.548 0.000) 2.632 3.024 ( -5.109 4.414 0.000) 6.752 3.024 ( -6.583 2.632 0.000) 7.090 3.688 ( -1.113 3.195 0.000) 3.383 4.108 ( -7.359 -5.999 0.000) 9.495 4.297 ( 9.344 3.247 0.000) 9.892 4.340 ( -0.460 -2.820 0.000) 2.858 4.592 ( 1.719 0.707 0.000) 1.859 4.827 ( -0.839 -1.797 0.000) 1.984 4.866 ( 1.783 -10.422 0.000) 10.574 5.286 ( 6.601 8.835 0.000) 11.029 5.722 ( 5.000 13.977 0.000) 14.844 6.111 ( 10.770 14.778 0.000) 18.286 6.128 ( -1.237 -0.797 0.000) 1.471 6.386 ( -1.376 2.168 0.000) 2.567 6.487 ( 4.599 4.944 0.000) 6.753 6.631 ( 1.509 -3.601 0.000) 3.904 7.215 ( 4.935 -4.823 0.000) 6.900 7.353 ( 2.481 5.595 0.000) 6.121 7.462 ( 9.278 -14.601 0.000) 17.299 8.418 ( 1.885 -2.442 0.000) 3.085 8.485 ( 0.548 -0.989 0.000) 1.131 8.794 ( 2.491 -6.709 0.000) 7.157 12.153 ( -0.119 0.892 0.000) 0.900 13.678 ( -12.498 -8.876 0.000) 15.330 13.929 ( -1.635 -2.131 0.000) 2.686 14.633 ( -1.142 -1.176 0.000) 1.639 15.248 ( 17.373 -0.845 0.000) 17.394 16.698 ( 9.676 7.494 0.000) 12.238 16.709 ( -12.297 -0.981 0.000) 12.336 17.186 ( 5.858 -3.852 0.000) 7.011 17.190 ( 3.938 -4.506 0.000) 5.984 18.129 ( 10.059 -8.028 0.000) 12.870 18.164 ( -3.769 3.835 0.000) 5.377 19.809 ( -14.838 7.083 0.000) 16.442 20.057 ( -1.081 3.372 0.000) 3.541 21.273 ( 1.100 -3.048 0.000) 3.240 22.309 ( 0.544 9.376 0.000) 9.392 23.173 ( -22.766 -19.516 0.000) 29.986 46.549 ( 8.262 0.446 0.000) 8.274 47.260 ( -7.651 -0.816 0.000) 7.694 47.391 ( 1.397 -1.715 0.000) 2.212 47.775 ( -5.195 -2.082 0.000) 5.596 98.793 ( -0.341 0.279 0.000) 0.441 98.807 ( 0.109 0.028 0.000) 0.112 99.068 ( -0.643 -0.639 0.000) 0.906 99.185 ( -0.272 2.023 0.000) 2.042 99.333 ( 3.443 -1.408 0.000) 3.720 99.579 ( -1.241 -4.156 0.000) 4.337 99.911 ( 1.700 5.100 0.000) 5.375 101.005 ( 11.975 12.500 0.000) 17.311 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.983 ( 6.089 -11.356 0.000) 12.885 1.349 ( 13.381 -12.507 0.000) 18.316 1.962 ( 5.297 -9.818 0.000) 11.156 1.963 ( 0.532 1.649 0.000) 1.733 2.083 ( -2.353 2.950 0.000) 3.774 2.333 ( 6.923 -5.297 0.000) 8.717 2.380 ( 4.018 -4.309 0.000) 5.891 2.493 ( -1.606 -2.361 0.000) 2.855 2.537 ( -6.852 4.226 0.000) 8.051 2.758 ( 0.727 1.125 0.000) 1.339 2.892 ( -6.503 2.706 0.000) 7.043 2.900 ( -4.221 3.474 0.000) 5.467 3.626 ( -1.107 2.955 0.000) 3.156 4.066 ( -4.973 -0.179 0.000) 4.976 4.366 ( 4.724 2.172 0.000) 5.199 4.371 ( -0.330 -2.138 0.000) 2.163 4.596 ( 0.469 0.950 0.000) 1.060 4.846 ( -0.195 -1.799 0.000) 1.810 5.033 ( 2.062 -9.487 0.000) 9.709 5.256 ( 3.052 4.017 0.000) 5.045 5.603 ( 4.620 11.898 0.000) 12.764 6.056 ( 4.872 8.388 0.000) 9.700 6.117 ( -1.414 -0.304 0.000) 1.447 6.349 ( -0.477 1.133 0.000) 1.230 6.492 ( 3.516 2.586 0.000) 4.365 6.713 ( 1.767 -4.338 0.000) 4.685 7.295 ( 1.591 6.274 0.000) 6.472 7.323 ( 2.311 -3.351 0.000) 4.071 7.802 ( 9.048 -13.315 0.000) 16.099 8.427 ( -4.898 -3.839 0.000) 6.224 8.542 ( 9.710 5.201 0.000) 11.015 8.921 ( -1.063 -8.813 0.000) 8.877 12.140 ( -0.048 0.649 0.000) 0.651 13.631 ( -6.695 -3.571 0.000) 7.588 13.946 ( -0.669 -2.240 0.000) 2.338 14.628 ( -0.941 -0.396 0.000) 1.021 15.514 ( 18.667 -0.429 0.000) 18.672 16.524 ( -15.301 -0.669 0.000) 15.316 16.726 ( 3.905 1.964 0.000) 4.371 17.327 ( 6.086 -3.394 0.000) 6.968 17.331 ( 4.841 -6.035 0.000) 7.737 18.041 ( -4.574 4.925 0.000) 6.721 18.413 ( 13.041 -8.842 0.000) 15.756 19.472 ( -17.752 7.654 0.000) 19.332 19.999 ( -0.784 2.639 0.000) 2.753 21.327 ( 0.838 -2.390 0.000) 2.532 22.195 ( 1.316 7.892 0.000) 8.001 23.119 ( -12.982 -8.318 0.000) 15.418 46.674 ( 10.687 0.712 0.000) 10.711 47.148 ( -10.155 -1.029 0.000) 10.207 47.445 ( 4.876 0.367 0.000) 4.890 47.723 ( -6.615 -2.227 0.000) 6.980 98.785 ( -0.315 0.142 0.000) 0.346 98.806 ( -0.031 0.179 0.000) 0.182 99.067 ( -0.825 -0.649 0.000) 1.050 99.155 ( 0.106 1.859 0.000) 1.862 99.407 ( 4.193 -1.331 0.000) 4.399 99.612 ( -3.085 -4.199 0.000) 5.210 99.865 ( 1.633 4.320 0.000) 4.618 100.993 ( 5.534 6.159 0.000) 8.280 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.169 ( 2.665 -5.021 0.000) 5.684 1.657 ( 8.843 -8.033 0.000) 11.947 1.904 ( -3.357 3.881 0.000) 5.131 1.940 ( -2.780 2.462 0.000) 3.713 2.121 ( 1.186 -2.294 0.000) 2.582 2.357 ( -0.868 0.467 0.000) 0.986 2.417 ( -3.020 1.899 0.000) 3.568 2.507 ( 1.333 -1.775 0.000) 2.219 2.649 ( 7.984 -6.644 0.000) 10.387 2.750 ( -0.695 1.164 0.000) 1.355 2.786 ( -3.505 1.550 0.000) 3.833 2.821 ( -1.755 1.371 0.000) 2.227 3.584 ( -0.460 1.187 0.000) 1.273 3.992 ( -2.872 1.344 0.000) 3.171 4.372 ( 0.772 1.241 0.000) 1.462 4.389 ( -0.124 -0.763 0.000) 0.773 4.585 ( -0.126 0.473 0.000) 0.490 4.866 ( 0.152 -0.796 0.000) 0.811 5.183 ( 2.829 -5.681 0.000) 6.346 5.255 ( -1.039 -0.640 0.000) 1.220 5.512 ( 2.863 7.560 0.000) 8.084 6.016 ( 1.139 2.803 0.000) 3.025 6.104 ( -0.621 -0.009 0.000) 0.621 6.337 ( -0.060 0.261 0.000) 0.268 6.503 ( 1.223 0.763 0.000) 1.441 6.785 ( 0.849 -2.361 0.000) 2.509 7.236 ( 0.449 3.168 0.000) 3.199 7.376 ( 0.728 -1.181 0.000) 1.388 8.035 ( 3.935 -5.307 0.000) 6.607 8.415 ( -2.827 -2.237 0.000) 3.605 8.584 ( 5.507 3.810 0.000) 6.697 8.996 ( -1.519 -4.122 0.000) 4.393 12.133 ( -0.006 0.225 0.000) 0.225 13.600 ( -2.186 -0.942 0.000) 2.381 13.965 ( -0.126 -0.959 0.000) 0.967 14.622 ( -0.342 -0.059 0.000) 0.347 15.740 ( 11.143 0.076 0.000) 11.144 16.340 ( -10.018 -0.396 0.000) 10.026 16.746 ( 1.036 0.203 0.000) 1.056 17.426 ( 2.631 -1.328 0.000) 2.947 17.466 ( 2.933 -3.716 0.000) 4.734 17.921 ( -2.827 3.201 0.000) 4.271 18.722 ( 13.423 -7.268 0.000) 15.265 19.128 ( -15.384 6.743 0.000) 16.797 19.965 ( -0.274 0.974 0.000) 1.012 21.359 ( 0.304 -0.884 0.000) 0.935 22.131 ( 0.732 3.057 0.000) 3.143 23.068 ( -4.542 -2.228 0.000) 5.059 46.811 ( 9.429 0.742 0.000) 9.458 47.020 ( -9.220 -0.865 0.000) 9.260 47.505 ( 4.141 0.758 0.000) 4.209 47.665 ( -4.645 -1.335 0.000) 4.833 98.781 ( -0.102 0.019 0.000) 0.103 98.802 ( -0.069 0.117 0.000) 0.136 99.064 ( -0.435 -0.237 0.000) 0.495 99.138 ( 0.172 0.716 0.000) 0.736 99.475 ( 2.833 -0.549 0.000) 2.886 99.609 ( -2.799 -1.709 0.000) 3.280 99.840 ( 0.986 1.685 0.000) 1.952 100.985 ( 1.630 1.904 0.000) 2.506 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 20.866 -0.000 0.000) 20.866 0.689 ( 24.221 -0.000 0.000) 24.221 1.018 ( 33.949 -0.000 0.000) 33.949 1.964 ( 2.317 -0.000 0.000) 2.317 2.140 ( 0.001 -0.000 0.000) 0.001 2.203 ( 3.700 -0.000 0.000) 3.700 2.349 ( 1.062 -0.000 0.000) 1.062 2.441 ( -10.461 0.000 0.000) 10.461 2.745 ( -5.906 0.000 0.000) 5.906 2.826 ( -0.615 0.000 0.000) 0.615 3.061 ( -7.198 0.000 0.000) 7.198 3.093 ( -6.972 0.000 0.000) 6.972 3.739 ( -1.159 0.000 0.000) 1.159 3.932 ( -0.294 0.000 0.000) 0.294 4.289 ( -0.352 0.000 0.000) 0.352 4.424 ( 7.209 -0.000 0.000) 7.209 4.606 ( 2.330 -0.000 0.000) 2.330 4.640 ( 5.912 -0.000 0.000) 5.912 4.797 ( -0.999 0.000 0.000) 0.999 5.460 ( 8.736 -0.000 0.000) 8.736 5.947 ( -5.839 0.000 0.000) 5.839 6.113 ( -1.103 0.000 0.000) 1.103 6.436 ( -0.816 0.000 0.000) 0.816 6.447 ( -4.280 0.000 0.000) 4.280 6.561 ( -0.453 0.000 0.000) 0.453 6.564 ( 5.833 -0.000 0.000) 5.833 7.096 ( 7.936 -0.000 0.000) 7.936 7.445 ( 3.291 -0.000 0.000) 3.291 7.576 ( 3.383 -0.000 0.000) 3.383 8.330 ( -3.712 0.000 0.000) 3.712 8.399 ( 9.492 -0.000 0.000) 9.492 8.785 ( 6.720 -0.000 0.000) 6.720 12.168 ( -0.262 0.000 0.000) 0.262 13.348 ( -0.315 0.000 0.000) 0.315 13.893 ( -2.298 0.000 0.000) 2.298 14.615 ( 0.537 -0.000 0.000) 0.537 15.236 ( 17.757 -0.000 0.000) 17.757 16.685 ( -12.152 0.000 0.000) 12.152 16.942 ( -7.102 0.000 0.000) 7.102 17.130 ( 3.517 -0.000 0.000) 3.517 17.143 ( 6.578 -0.000 0.000) 6.578 17.990 ( 10.301 -0.000 0.000) 10.301 18.220 ( -3.794 0.000 0.000) 3.794 19.936 ( -16.715 0.000 0.000) 16.715 20.113 ( -1.895 0.000 0.000) 1.895 21.222 ( 1.797 -0.000 0.000) 1.797 22.360 ( -5.773 0.000 0.000) 5.773 22.619 ( 8.718 -0.000 0.000) 8.718 46.555 ( 8.391 -0.000 0.000) 8.391 47.247 ( -7.689 0.000 0.000) 7.689 47.307 ( 6.024 -0.000 0.000) 6.024 47.746 ( -4.904 0.000 0.000) 4.904 98.799 ( -0.602 0.000 0.000) 0.602 98.806 ( 0.389 -0.000 0.000) 0.389 99.058 ( -0.792 0.000 0.000) 0.792 99.215 ( -0.655 0.000 0.000) 0.655 99.314 ( 4.034 -0.000 0.000) 4.034 99.514 ( -0.453 0.000 0.000) 0.453 100.027 ( 0.539 -0.000 0.000) 0.539 101.385 ( -4.894 0.000 0.000) 4.894 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.838 ( 20.219 1.378 0.000) 20.266 1.062 ( 21.452 -6.184 0.000) 22.325 1.547 ( 22.208 -13.360 0.000) 25.918 1.998 ( 2.936 0.675 0.000) 3.013 2.149 ( 1.202 0.421 0.000) 1.274 2.264 ( 3.269 -1.249 0.000) 3.499 2.305 ( -2.137 0.226 0.000) 2.149 2.419 ( 1.940 -2.453 0.000) 3.127 2.631 ( -8.357 1.924 0.000) 8.576 2.797 ( -1.548 1.250 0.000) 1.989 2.943 ( -8.518 0.688 0.000) 8.546 2.974 ( -7.819 1.500 0.000) 7.961 3.704 ( -1.870 1.880 0.000) 2.652 3.963 ( -1.908 -4.674 0.000) 5.049 4.301 ( -0.048 -1.930 0.000) 1.931 4.477 ( 6.468 4.344 0.000) 7.791 4.629 ( 1.666 0.990 0.000) 1.938 4.778 ( 4.621 -6.367 0.000) 7.867 4.793 ( -0.892 -1.406 0.000) 1.665 5.514 ( 6.612 9.760 0.000) 11.789 5.819 ( -5.520 2.487 0.000) 6.054 6.098 ( -1.712 -0.575 0.000) 1.806 6.329 ( -2.680 6.619 0.000) 7.141 6.409 ( -0.125 2.422 0.000) 2.426 6.585 ( -0.120 -3.705 0.000) 3.707 6.648 ( 6.734 3.588 0.000) 7.630 7.294 ( 10.164 -6.904 0.000) 12.287 7.461 ( 2.776 3.768 0.000) 4.680 7.536 ( 9.449 7.575 0.000) 12.111 8.321 ( -3.849 -3.405 0.000) 5.139 8.592 ( 15.568 -1.361 0.000) 15.628 8.845 ( 4.952 2.335 0.000) 5.475 12.160 ( -0.286 0.531 0.000) 0.603 13.417 ( -3.350 -8.839 0.000) 9.453 13.880 ( -1.075 -1.649 0.000) 1.968 14.625 ( 0.700 0.027 0.000) 0.700 15.512 ( 21.224 0.109 0.000) 21.224 16.489 ( -16.867 -1.136 0.000) 16.906 16.794 ( -7.319 2.677 0.000) 7.793 17.208 ( 5.428 -2.238 0.000) 5.872 17.258 ( 8.677 -1.121 0.000) 8.749 18.145 ( -4.904 2.001 0.000) 5.296 18.206 ( 14.880 -4.853 0.000) 15.652 19.649 ( -19.470 3.896 0.000) 19.856 20.069 ( -2.397 1.656 0.000) 2.914 21.263 ( 2.220 -1.534 0.000) 2.699 22.289 ( -10.138 -2.498 0.000) 10.441 22.808 ( 4.809 -8.474 0.000) 9.743 46.690 ( 11.115 0.349 0.000) 11.120 47.124 ( -10.366 -0.509 0.000) 10.378 47.421 ( 7.206 -1.617 0.000) 7.385 47.672 ( -6.531 -0.970 0.000) 6.603 98.789 ( -0.603 0.100 0.000) 0.611 98.809 ( 0.123 0.069 0.000) 0.141 99.047 ( -1.214 -0.491 0.000) 1.309 99.198 ( -0.750 0.893 0.000) 1.166 99.386 ( 5.848 -0.297 0.000) 5.856 99.523 ( -0.325 -1.719 0.000) 1.749 100.002 ( 0.539 3.791 0.000) 3.830 101.233 ( -3.218 8.478 0.000) 9.068 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.089 ( 17.689 0.592 0.000) 17.699 1.428 ( 17.407 -6.790 0.000) 18.685 1.895 ( 4.200 -9.500 0.000) 10.387 2.011 ( 1.667 2.871 0.000) 3.320 2.097 ( -2.133 3.761 0.000) 4.324 2.349 ( 1.864 -2.409 0.000) 3.046 2.428 ( 9.568 -3.146 0.000) 10.072 2.477 ( 7.801 -1.935 0.000) 8.037 2.480 ( -7.936 2.184 0.000) 8.231 2.772 ( -0.011 0.020 0.000) 0.023 2.822 ( -7.207 0.605 0.000) 7.233 2.853 ( -6.681 0.838 0.000) 6.733 3.642 ( -2.174 2.454 0.000) 3.278 3.986 ( -2.911 -2.959 0.000) 4.151 4.335 ( 0.092 -2.524 0.000) 2.525 4.473 ( 2.249 5.142 0.000) 5.613 4.621 ( 0.352 1.813 0.000) 1.847 4.815 ( -0.031 -2.423 0.000) 2.423 4.925 ( 2.511 -7.229 0.000) 7.653 5.386 ( -1.101 9.766 0.000) 9.828 5.765 ( 2.398 4.599 0.000) 5.187 6.083 ( -1.999 -1.025 0.000) 2.247 6.198 ( -2.325 6.831 0.000) 7.216 6.378 ( 0.863 2.419 0.000) 2.569 6.650 ( 6.238 8.038 0.000) 10.174 6.650 ( -0.173 -5.323 0.000) 5.326 7.415 ( 1.399 6.658 0.000) 6.803 7.429 ( 8.544 4.473 0.000) 9.644 7.735 ( 9.505 -12.095 0.000) 15.382 8.306 ( -4.104 -2.436 0.000) 4.773 8.776 ( 9.130 6.526 0.000) 11.222 8.916 ( 11.689 -1.709 0.000) 11.814 12.148 ( -0.201 0.649 0.000) 0.679 13.481 ( -3.055 -6.725 0.000) 7.387 13.905 ( 0.069 -2.571 0.000) 2.572 14.632 ( 1.026 0.573 0.000) 1.175 15.778 ( 16.589 2.273 0.000) 16.744 16.282 ( -14.611 -3.135 0.000) 14.944 16.692 ( -7.921 -2.937 0.000) 8.448 17.337 ( 6.165 -4.057 0.000) 7.380 17.391 ( 7.370 -0.987 0.000) 7.435 18.034 ( -5.053 3.557 0.000) 6.179 18.517 ( 17.795 -6.328 0.000) 18.887 19.313 ( -18.464 5.449 0.000) 19.251 20.010 ( -2.259 1.774 0.000) 2.872 21.317 ( 2.009 -1.678 0.000) 2.617 22.158 ( -12.077 -1.560 0.000) 12.177 22.957 ( 3.906 -4.507 0.000) 5.964 46.839 ( 10.145 1.099 0.000) 10.205 46.988 ( -9.621 -1.257 0.000) 9.703 47.523 ( 3.760 0.509 0.000) 3.794 47.612 ( -2.892 -2.228 0.000) 3.651 98.781 ( -0.357 0.002 0.000) 0.357 98.807 ( -0.199 0.169 0.000) 0.261 99.039 ( -1.479 -1.017 0.000) 1.795 99.173 ( -0.606 1.190 0.000) 1.336 99.474 ( 6.062 0.342 0.000) 6.071 99.548 ( 0.441 -1.937 0.000) 1.986 99.946 ( 0.152 4.513 0.000) 4.515 101.089 ( -3.780 5.026 0.000) 6.289 ======================= Grid point 13 (9/100) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.293 ( 14.408 3.227 0.000) 14.765 1.711 ( 10.650 -3.763 0.000) 11.295 1.946 ( -1.055 6.218 0.000) 6.306 1.953 ( -0.400 2.336 0.000) 2.370 2.096 ( 1.435 -4.222 0.000) 4.459 2.347 ( -1.955 1.301 0.000) 2.348 2.384 ( -3.255 -0.448 0.000) 3.286 2.479 ( 0.296 -2.383 0.000) 2.402 2.726 ( 6.518 -1.211 0.000) 6.629 2.736 ( 1.646 -0.694 0.000) 1.786 2.781 ( -3.770 -1.338 0.000) 4.001 2.785 ( 1.324 1.275 0.000) 1.838 3.586 ( -1.758 1.248 0.000) 2.156 3.979 ( -0.455 -0.758 0.000) 0.884 4.369 ( 0.180 -1.940 0.000) 1.948 4.410 ( -0.586 4.209 0.000) 4.250 4.599 ( 0.217 1.425 0.000) 1.441 4.849 ( 0.082 -1.948 0.000) 1.950 5.044 ( -1.248 -7.633 0.000) 7.734 5.262 ( -3.505 3.070 0.000) 4.659 5.704 ( 3.155 9.967 0.000) 10.454 6.076 ( -1.464 -1.618 0.000) 2.182 6.079 ( -1.951 5.434 0.000) 5.774 6.364 ( 1.459 1.964 0.000) 2.447 6.609 ( 4.446 7.871 0.000) 9.039 6.718 ( -1.391 -5.246 0.000) 5.428 7.324 ( 0.278 7.133 0.000) 7.138 7.467 ( 6.774 4.887 0.000) 8.353 8.000 ( 5.306 -8.149 0.000) 9.724 8.284 ( -4.815 -3.799 0.000) 6.133 8.712 ( -1.164 7.124 0.000) 7.219 9.132 ( 18.235 4.508 0.000) 18.784 12.138 ( -0.120 0.461 0.000) 0.476 13.536 ( -0.579 -4.969 0.000) 5.003 13.945 ( 0.518 -2.103 0.000) 2.166 14.639 ( 1.694 1.014 0.000) 1.974 15.782 ( -9.896 3.053 0.000) 10.356 16.296 ( 9.278 -3.373 0.000) 9.872 16.647 ( -8.600 -6.420 0.000) 10.732 17.464 ( 2.889 1.311 0.000) 3.172 17.471 ( 4.572 -3.009 0.000) 5.474 17.922 ( -3.233 2.917 0.000) 4.355 18.832 ( 11.011 -2.073 0.000) 11.204 19.030 ( -6.778 2.263 0.000) 7.146 19.963 ( -1.757 0.704 0.000) 1.893 21.359 ( 1.435 -0.731 0.000) 1.611 22.020 ( -13.096 -4.275 0.000) 13.776 23.070 ( 7.141 -1.603 0.000) 7.319 46.798 ( -10.499 -0.205 0.000) 10.501 47.034 ( 10.641 0.197 0.000) 10.642 47.483 ( -6.012 -0.760 0.000) 6.060 47.684 ( 7.361 0.058 0.000) 7.361 98.779 ( -0.033 -0.099 0.000) 0.105 98.801 ( -0.246 0.060 0.000) 0.253 99.037 ( -1.328 -1.574 0.000) 2.060 99.150 ( -0.503 0.992 0.000) 1.112 99.505 ( 0.221 1.360 0.000) 1.378 99.617 ( 6.565 -0.610 0.000) 6.594 99.883 ( -0.849 3.779 0.000) 3.873 100.980 ( -5.665 1.356 0.000) 5.825 ======================= Grid point 14 (10/100) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.349 ( 8.148 11.873 0.000) 14.400 1.694 ( -4.893 10.450 0.000) 11.539 1.927 ( 3.604 -0.055 0.000) 3.605 1.957 ( 3.309 -1.351 0.000) 3.574 2.141 ( 0.386 1.314 0.000) 1.369 2.341 ( 0.060 -3.175 0.000) 3.175 2.415 ( 2.856 -4.126 0.000) 5.018 2.483 ( -2.585 -0.779 0.000) 2.699 2.666 ( -4.760 7.375 0.000) 8.777 2.737 ( -1.742 0.252 0.000) 1.760 2.792 ( -0.179 -3.886 0.000) 3.890 2.861 ( 8.423 1.840 0.000) 8.622 3.566 ( -0.869 -1.021 0.000) 1.340 4.029 ( 4.975 -1.700 0.000) 5.258 4.354 ( -1.743 1.686 0.000) 2.425 4.392 ( 0.331 -0.747 0.000) 0.817 4.590 ( 0.340 0.649 0.000) 0.733 4.868 ( 0.009 -0.607 0.000) 0.607 5.064 ( -8.196 -3.614 0.000) 8.957 5.221 ( -3.194 -4.566 0.000) 5.572 5.575 ( 1.804 12.440 0.000) 12.570 5.992 ( -2.559 2.732 0.000) 3.743 6.091 ( -0.251 -2.105 0.000) 2.120 6.359 ( 1.579 1.683 0.000) 2.308 6.552 ( 1.998 6.409 0.000) 6.713 6.745 ( -3.388 -2.881 0.000) 4.447 7.242 ( -0.029 3.863 0.000) 3.863 7.475 ( 5.621 6.192 0.000) 8.363 8.046 ( -3.188 4.203 0.000) 5.275 8.313 ( -3.856 -8.430 0.000) 9.270 8.589 ( -1.564 5.996 0.000) 6.197 9.248 ( 14.740 12.136 0.000) 19.093 12.132 ( -0.085 0.115 0.000) 0.143 13.614 ( 2.830 -4.019 0.000) 4.915 13.972 ( 0.554 -0.616 0.000) 0.828 14.653 ( 2.685 1.304 0.000) 2.985 15.544 ( -17.228 1.719 0.000) 17.314 16.510 ( 14.131 -1.634 0.000) 14.225 16.619 ( -9.410 -6.689 0.000) 11.545 17.433 ( -1.695 3.915 0.000) 4.266 17.496 ( -0.682 4.023 0.000) 4.080 17.909 ( 1.863 -3.051 0.000) 3.575 18.669 ( -10.426 8.571 0.000) 13.496 19.261 ( 17.780 -6.604 0.000) 18.966 19.945 ( -1.089 -0.991 0.000) 1.472 21.374 ( 0.745 0.794 0.000) 1.089 21.937 ( -11.973 -9.135 0.000) 15.060 23.216 ( 11.816 -0.548 0.000) 11.829 46.654 ( -10.483 -0.601 0.000) 10.500 47.176 ( 10.262 0.820 0.000) 10.295 47.416 ( -5.452 -1.353 0.000) 5.617 47.778 ( 7.373 1.450 0.000) 7.514 98.782 ( 0.145 -0.096 0.000) 0.174 98.800 ( -0.059 -0.182 0.000) 0.191 99.049 ( -0.652 -2.055 0.000) 2.156 99.132 ( -0.562 0.465 0.000) 0.729 99.464 ( -1.631 2.561 0.000) 3.036 99.720 ( 8.734 1.956 0.000) 8.950 99.816 ( -2.477 1.946 0.000) 3.150 100.888 ( -8.258 -1.728 0.000) 8.437 ======================= Grid point 15 (11/100) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.206 ( 3.750 18.417 0.000) 18.794 1.413 ( -7.191 16.217 0.000) 17.740 1.948 ( -0.145 0.046 0.000) 0.153 2.031 ( 0.438 3.262 0.000) 3.292 2.082 ( -0.677 2.566 0.000) 2.654 2.359 ( -1.893 4.307 0.000) 4.705 2.390 ( -6.193 9.604 0.000) 11.428 2.510 ( 1.105 -4.271 0.000) 4.412 2.551 ( 5.256 -5.674 0.000) 7.735 2.728 ( -1.418 -0.887 0.000) 1.672 2.874 ( 1.831 -5.680 0.000) 5.968 2.962 ( 7.909 -0.029 0.000) 7.909 3.590 ( 0.006 -3.136 0.000) 3.136 4.128 ( 5.234 -0.853 0.000) 5.303 4.298 ( -3.678 0.611 0.000) 3.729 4.398 ( 0.471 0.727 0.000) 0.866 4.583 ( -0.582 0.288 0.000) 0.649 4.871 ( 0.693 0.691 0.000) 0.979 4.971 ( -10.149 -2.119 0.000) 10.367 5.260 ( -1.710 -3.958 0.000) 4.311 5.430 ( -1.826 6.390 0.000) 6.645 5.922 ( -4.778 0.028 0.000) 4.778 6.124 ( 0.779 -1.702 0.000) 1.872 6.362 ( 1.565 0.884 0.000) 1.797 6.485 ( -0.214 4.434 0.000) 4.439 6.706 ( -4.163 0.475 0.000) 4.190 7.223 ( -0.381 -1.338 0.000) 1.391 7.444 ( 5.035 8.757 0.000) 10.101 7.843 ( -8.814 10.648 0.000) 13.823 8.363 ( -4.629 -6.100 0.000) 7.657 8.527 ( 2.072 3.408 0.000) 3.989 9.191 ( 8.310 18.007 0.000) 19.832 12.133 ( -0.051 -0.344 0.000) 0.348 13.731 ( 6.469 -3.318 0.000) 7.270 13.979 ( 0.690 0.824 0.000) 1.074 14.676 ( 3.859 1.824 0.000) 4.268 15.283 ( -16.677 1.526 0.000) 16.746 16.563 ( -10.798 -4.763 0.000) 11.802 16.709 ( 11.371 -1.075 0.000) 11.422 17.326 ( -3.315 5.502 0.000) 6.424 17.377 ( -2.641 7.811 0.000) 8.245 18.020 ( 3.333 -5.806 0.000) 6.694 18.403 ( -8.285 10.453 0.000) 13.338 19.591 ( 14.978 -7.253 0.000) 16.642 19.962 ( -0.386 -2.780 0.000) 2.807 21.357 ( 0.124 2.409 0.000) 2.412 21.959 ( -8.156 -13.766 0.000) 16.001 23.411 ( 15.841 0.319 0.000) 15.844 46.533 ( -8.054 -0.608 0.000) 8.077 47.288 ( 7.655 1.035 0.000) 7.724 47.377 ( -2.994 -1.720 0.000) 3.453 47.842 ( 5.667 2.268 0.000) 6.104 98.786 ( 0.225 -0.178 0.000) 0.287 98.803 ( -0.016 -0.212 0.000) 0.213 99.073 ( 0.180 -1.358 0.000) 1.370 99.125 ( -0.607 -1.012 0.000) 1.180 99.397 ( -1.943 3.095 0.000) 3.655 99.718 ( -0.769 4.872 0.000) 4.933 99.837 ( 6.110 0.087 0.000) 6.111 100.794 ( -11.475 -4.129 0.000) 12.195 ======================= Grid point 16 (12/100) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 0.960 ( 2.549 21.821 0.000) 21.969 1.054 ( -6.371 20.438 0.000) 21.408 1.668 ( -10.221 28.466 0.000) 30.245 1.938 ( -0.725 0.088 0.000) 0.731 2.121 ( -0.128 -2.087 0.000) 2.091 2.221 ( -0.366 3.901 0.000) 3.918 2.334 ( -1.707 0.079 0.000) 1.708 2.616 ( 4.557 -3.352 0.000) 5.657 2.690 ( 3.144 -5.057 0.000) 5.955 2.723 ( -1.490 -1.019 0.000) 1.805 2.992 ( 2.053 -6.687 0.000) 6.995 3.067 ( 4.829 -1.805 0.000) 5.155 3.646 ( 0.349 -4.024 0.000) 4.039 4.138 ( -4.615 -0.497 0.000) 4.641 4.328 ( 11.139 0.016 0.000) 11.139 4.384 ( 0.428 2.153 0.000) 2.195 4.567 ( -1.113 0.080 0.000) 1.116 4.833 ( -14.874 -2.239 0.000) 15.041 4.865 ( 0.765 1.726 0.000) 1.888 5.206 ( 0.272 9.748 0.000) 9.752 5.403 ( -7.631 -9.353 0.000) 12.071 5.868 ( -5.055 -3.169 0.000) 5.966 6.149 ( 0.732 -0.097 0.000) 0.739 6.384 ( 1.560 -1.042 0.000) 1.876 6.435 ( -0.695 1.348 0.000) 1.516 6.638 ( -2.688 1.734 0.000) 3.199 7.257 ( -0.831 -4.161 0.000) 4.243 7.353 ( 3.216 12.887 0.000) 13.282 7.554 ( -6.987 12.767 0.000) 14.554 8.365 ( -3.079 -2.158 0.000) 3.760 8.523 ( 1.650 1.585 0.000) 2.288 8.997 ( 2.847 18.620 0.000) 18.837 12.141 ( 0.002 -0.814 0.000) 0.814 13.886 ( 9.110 -3.197 0.000) 9.654 13.973 ( 0.861 1.351 0.000) 1.602 14.700 ( 4.103 3.218 0.000) 5.214 15.057 ( -12.139 1.042 0.000) 12.184 16.453 ( -11.546 -1.801 0.000) 11.686 16.845 ( 6.403 -0.442 0.000) 6.419 17.203 ( -2.192 5.840 0.000) 6.238 17.233 ( -1.905 7.348 0.000) 7.591 18.139 ( 2.026 -5.328 0.000) 5.700 18.155 ( -5.130 10.702 0.000) 11.868 19.864 ( 8.385 -7.704 0.000) 11.386 20.010 ( 0.103 -4.061 0.000) 4.063 21.313 ( -0.210 3.578 0.000) 3.584 22.093 ( -3.184 -15.508 0.000) 15.832 23.638 ( 17.291 0.385 0.000) 17.295 46.454 ( -4.381 -0.490 0.000) 4.408 47.355 ( 4.066 1.014 0.000) 4.191 47.386 ( 0.184 -2.207 0.000) 2.215 47.869 ( 3.129 2.585 0.000) 4.059 98.792 ( 0.119 -0.236 0.000) 0.265 98.805 ( -0.012 -0.127 0.000) 0.128 99.082 ( 0.220 0.339 0.000) 0.404 99.150 ( -0.125 -2.842 0.000) 2.845 99.330 ( -1.360 2.810 0.000) 3.122 99.632 ( -2.190 3.739 0.000) 4.333 99.907 ( 5.447 2.139 0.000) 5.852 100.685 ( -13.248 -4.785 0.000) 14.086 ======================= Grid point 17 (13/100) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 23.061 0.000) 23.061 0.686 ( 0.000 23.419 0.000) 23.419 1.099 ( 0.000 36.622 0.000) 36.622 1.932 ( 0.000 0.037 0.000) 0.037 2.132 ( -0.000 -0.508 0.000) 0.508 2.180 ( 0.000 2.284 0.000) 2.284 2.331 ( -0.000 -1.216 0.000) 1.216 2.684 ( 0.000 2.139 0.000) 2.139 2.728 ( -0.000 -4.116 0.000) 4.116 2.774 ( -0.000 -3.634 0.000) 3.634 3.102 ( -0.000 -6.093 0.000) 6.093 3.133 ( -0.000 -2.514 0.000) 2.514 3.704 ( -0.000 -3.391 0.000) 3.391 4.117 ( -0.000 -3.041 0.000) 3.041 4.350 ( 0.000 2.848 0.000) 2.848 4.525 ( 0.000 9.448 0.000) 9.448 4.558 ( -0.000 -0.195 0.000) 0.195 4.680 ( -0.000 -15.050 0.000) 15.050 4.843 ( 0.000 1.901 0.000) 1.901 5.050 ( 0.000 8.691 0.000) 8.691 5.396 ( -0.000 -0.137 0.000) 0.137 5.917 ( -0.000 -8.935 0.000) 8.935 6.146 ( 0.000 0.958 0.000) 0.958 6.421 ( -0.000 -1.962 0.000) 1.962 6.433 ( -0.000 -1.863 0.000) 1.863 6.595 ( 0.000 1.613 0.000) 1.613 7.169 ( 0.000 14.217 0.000) 14.217 7.313 ( -0.000 -4.486 0.000) 4.486 7.313 ( 0.000 15.102 0.000) 15.102 8.344 ( 0.000 1.992 0.000) 1.992 8.520 ( 0.000 0.157 0.000) 0.157 8.791 ( 0.000 12.026 0.000) 12.026 12.154 ( -0.000 -1.011 0.000) 1.011 13.963 ( 0.000 1.200 0.000) 1.200 14.037 ( -0.000 -4.520 0.000) 4.520 14.676 ( 0.000 4.223 0.000) 4.223 14.960 ( -0.000 -0.082 0.000) 0.082 16.336 ( 0.000 2.144 0.000) 2.144 16.886 ( 0.000 1.171 0.000) 1.171 17.110 ( 0.000 4.816 0.000) 4.816 17.134 ( 0.000 4.210 0.000) 4.210 17.978 ( 0.000 8.523 0.000) 8.523 18.219 ( -0.000 -3.868 0.000) 3.868 20.025 ( -0.000 -6.538 0.000) 6.538 20.071 ( -0.000 -4.104 0.000) 4.104 21.258 ( 0.000 3.662 0.000) 3.662 22.282 ( -0.000 -12.970 0.000) 12.970 23.824 ( -0.000 -2.726 0.000) 2.726 46.429 ( -0.000 -0.345 0.000) 0.345 47.370 ( 0.000 0.802 0.000) 0.802 47.434 ( -0.000 -2.950 0.000) 2.950 47.856 ( 0.000 2.333 0.000) 2.333 98.795 ( -0.000 -0.167 0.000) 0.167 98.807 ( -0.000 -0.100 0.000) 0.100 99.076 ( 0.000 0.503 0.000) 0.503 99.189 ( -0.000 -2.425 0.000) 2.425 99.286 ( 0.000 1.966 0.000) 1.966 99.566 ( 0.000 2.794 0.000) 2.794 99.907 ( 0.000 2.873 0.000) 2.873 100.608 ( -0.000 -1.934 0.000) 1.934 ======================= Grid point 20 (14/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 20.570 -0.000 0.000) 20.570 1.324 ( 21.282 -0.000 0.000) 21.282 1.686 ( 9.306 -0.000 0.000) 9.306 2.053 ( 3.825 -0.000 0.000) 3.825 2.170 ( -0.737 0.000 0.000) 0.737 2.278 ( 2.448 -0.000 0.000) 2.448 2.368 ( 14.608 -0.000 0.000) 14.608 2.492 ( 7.040 -0.000 0.000) 7.040 2.516 ( -9.858 0.000 0.000) 9.858 2.773 ( -2.864 0.000 0.000) 2.864 2.823 ( -8.440 0.000 0.000) 8.440 2.865 ( -8.706 0.000 0.000) 8.706 3.686 ( -2.790 0.000 0.000) 2.790 3.913 ( -1.182 0.000 0.000) 1.182 4.289 ( 0.372 -0.000 0.000) 0.372 4.566 ( 2.130 -0.000 0.000) 2.130 4.660 ( 1.382 -0.000 0.000) 1.382 4.766 ( -1.093 0.000 0.000) 1.093 4.818 ( 6.470 -0.000 0.000) 6.470 5.674 ( -11.969 0.000 0.000) 11.969 5.731 ( 9.442 -0.000 0.000) 9.442 6.066 ( -2.291 0.000 0.000) 2.291 6.297 ( -6.286 0.000 0.000) 6.286 6.439 ( 1.202 -0.000 0.000) 1.202 6.547 ( -0.484 0.000 0.000) 0.484 6.784 ( 8.017 -0.000 0.000) 8.017 7.386 ( 12.224 -0.000 0.000) 12.224 7.520 ( 1.493 -0.000 0.000) 1.493 7.688 ( 3.953 -0.000 0.000) 3.953 8.279 ( 0.228 -0.000 0.000) 0.228 8.861 ( 23.797 -0.000 0.000) 23.797 8.917 ( 1.867 -0.000 0.000) 1.867 12.159 ( -0.357 0.000 0.000) 0.357 13.343 ( 0.053 -0.000 0.000) 0.053 13.862 ( 0.191 -0.000 0.000) 0.191 14.642 ( 1.539 -0.000 0.000) 1.539 15.825 ( 22.788 -0.000 0.000) 22.788 16.220 ( -20.117 0.000 0.000) 20.117 16.640 ( -14.353 0.000 0.000) 14.353 17.276 ( 6.486 -0.000 0.000) 6.486 17.377 ( 9.257 -0.000 0.000) 9.257 18.088 ( -5.224 0.000 0.000) 5.224 18.415 ( 19.779 -0.000 0.000) 19.779 19.397 ( -19.838 0.000 0.000) 19.838 20.040 ( -3.211 0.000 0.000) 3.211 21.288 ( 2.838 -0.000 0.000) 2.838 22.103 ( -12.939 0.000 0.000) 12.939 22.885 ( 9.452 -0.000 0.000) 9.452 46.859 ( 12.596 -0.000 0.000) 12.596 46.964 ( -11.942 0.000 0.000) 11.942 47.534 ( 9.820 -0.000 0.000) 9.820 47.568 ( -7.412 0.000 0.000) 7.412 98.781 ( -0.526 0.000 0.000) 0.526 98.810 ( -0.197 0.000 0.000) 0.197 99.023 ( -1.734 0.000 0.000) 1.734 99.191 ( -1.044 0.000 0.000) 1.044 99.482 ( 8.107 -0.000 0.000) 8.107 99.518 ( 0.932 -0.000 0.000) 0.932 100.023 ( -1.092 0.000 0.000) 1.092 101.188 ( -9.159 0.000 0.000) 9.159 ======================= Grid point 21 (15/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.390 ( 18.506 3.880 0.000) 18.908 1.618 ( 17.976 -1.946 0.000) 18.081 1.809 ( 1.775 -7.845 0.000) 8.044 2.086 ( 3.061 2.856 0.000) 4.187 2.135 ( -0.040 3.549 0.000) 3.550 2.329 ( 0.911 -2.605 0.000) 2.760 2.380 ( -8.601 -0.044 0.000) 8.601 2.516 ( 0.833 4.130 0.000) 4.214 2.662 ( 18.319 -2.322 0.000) 18.465 2.733 ( -2.299 0.222 0.000) 2.310 2.752 ( -7.597 -0.586 0.000) 7.619 2.768 ( 1.677 -1.710 0.000) 2.395 3.631 ( -3.375 1.283 0.000) 3.610 3.913 ( -1.751 -2.475 0.000) 3.032 4.308 ( 0.499 -1.626 0.000) 1.701 4.552 ( -0.197 3.565 0.000) 3.570 4.656 ( 0.511 2.152 0.000) 2.212 4.775 ( -0.411 -2.609 0.000) 2.641 4.918 ( 5.222 -1.633 0.000) 5.471 5.448 ( -8.946 7.454 0.000) 11.644 5.849 ( 5.727 0.724 0.000) 5.773 6.037 ( -2.578 -0.836 0.000) 2.710 6.195 ( -5.918 1.856 0.000) 6.203 6.436 ( 1.849 2.760 0.000) 3.323 6.577 ( -0.336 -4.027 0.000) 4.041 6.842 ( 6.236 5.728 0.000) 8.468 7.501 ( -0.157 3.845 0.000) 3.848 7.573 ( 8.924 -0.570 0.000) 8.943 7.752 ( 6.499 -3.649 0.000) 7.453 8.281 ( 1.065 1.781 0.000) 2.075 8.887 ( -1.633 4.175 0.000) 4.483 9.216 ( 26.942 1.320 0.000) 26.974 12.152 ( -0.291 0.364 0.000) 0.466 13.379 ( -0.087 -4.320 0.000) 4.321 13.883 ( 1.029 -1.544 0.000) 1.856 14.665 ( 2.316 0.567 0.000) 2.384 15.897 ( -15.675 4.148 0.000) 16.214 16.171 ( 15.734 -4.440 0.000) 16.349 16.460 ( -15.364 -4.767 0.000) 16.086 17.383 ( 6.658 -2.034 0.000) 6.962 17.493 ( 7.129 0.592 0.000) 7.153 18.005 ( -4.611 1.882 0.000) 4.980 18.732 ( 22.134 -2.649 0.000) 22.292 19.126 ( -15.970 2.335 0.000) 16.140 19.988 ( -3.209 0.693 0.000) 3.283 21.334 ( 2.694 -0.693 0.000) 2.782 21.916 ( -16.545 -2.369 0.000) 16.713 23.018 ( 8.081 -1.367 0.000) 8.196 46.796 ( -11.823 0.013 0.000) 11.823 47.035 ( 12.194 -0.046 0.000) 12.194 47.467 ( -7.179 -0.312 0.000) 7.186 47.677 ( 9.711 -0.339 0.000) 9.717 98.776 ( -0.193 -0.075 0.000) 0.207 98.804 ( -0.457 0.084 0.000) 0.465 99.001 ( -2.033 -0.735 0.000) 2.161 99.173 ( -1.097 0.460 0.000) 1.190 99.534 ( 1.635 0.492 0.000) 1.707 99.608 ( 9.595 -0.001 0.000) 9.595 99.983 ( -1.942 2.312 0.000) 3.020 101.036 ( -10.018 1.718 0.000) 10.165 ======================= Grid point 22 (16/100) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.559 ( 13.737 3.937 0.000) 14.290 1.836 ( 9.976 0.875 0.000) 10.014 1.960 ( 3.594 -6.254 0.000) 7.213 2.045 ( 1.696 6.635 0.000) 6.849 2.080 ( 0.369 2.802 0.000) 2.826 2.311 ( -3.605 -3.063 0.000) 4.731 2.326 ( -3.651 0.484 0.000) 3.683 2.471 ( -0.297 1.136 0.000) 1.174 2.664 ( -3.784 -0.941 0.000) 3.899 2.691 ( -4.197 -2.967 0.000) 5.140 2.832 ( 3.743 0.443 0.000) 3.769 2.939 ( 15.897 2.649 0.000) 16.117 3.568 ( -3.096 0.876 0.000) 3.217 3.941 ( -0.011 -4.070 0.000) 4.070 4.343 ( 0.437 -2.188 0.000) 2.231 4.478 ( -0.016 5.727 0.000) 5.727 4.631 ( 0.614 2.106 0.000) 2.194 4.812 ( -0.359 -2.924 0.000) 2.946 4.987 ( 1.694 -0.600 0.000) 1.797 5.246 ( -7.087 5.024 0.000) 8.687 5.860 ( 2.779 6.171 0.000) 6.768 6.024 ( -2.049 -2.085 0.000) 2.923 6.092 ( -4.232 2.517 0.000) 4.924 6.425 ( 2.298 2.707 0.000) 3.551 6.627 ( -1.365 -4.219 0.000) 4.434 6.807 ( 4.708 9.453 0.000) 10.561 7.417 ( -1.065 6.222 0.000) 6.313 7.629 ( 5.734 4.121 0.000) 7.062 7.956 ( 5.665 -9.142 0.000) 10.755 8.248 ( 0.065 4.274 0.000) 4.275 8.768 ( -3.941 6.074 0.000) 7.240 9.524 ( 24.231 6.640 0.000) 25.124 12.142 ( -0.183 0.469 0.000) 0.504 13.455 ( 0.580 -5.983 0.000) 6.011 13.926 ( 1.114 -2.083 0.000) 2.362 14.692 ( 3.444 1.194 0.000) 3.645 15.606 ( -18.424 2.311 0.000) 18.568 16.360 ( -14.270 -9.891 0.000) 17.363 16.445 ( 15.524 -2.465 0.000) 15.718 17.503 ( 5.303 -2.305 0.000) 5.782 17.536 ( 2.490 3.022 0.000) 3.915 17.917 ( -2.837 2.469 0.000) 3.761 18.870 ( -8.541 5.254 0.000) 10.028 19.110 ( 20.185 -4.055 0.000) 20.588 19.939 ( -2.595 0.330 0.000) 2.616 21.376 ( 2.032 -0.426 0.000) 2.076 21.726 ( -17.840 -5.240 0.000) 18.594 23.154 ( 7.968 -2.692 0.000) 8.410 46.641 ( -10.592 -0.304 0.000) 10.597 47.193 ( 10.634 0.370 0.000) 10.640 47.382 ( -6.153 -0.905 0.000) 6.220 47.804 ( 8.505 0.447 0.000) 8.517 98.778 ( 0.168 -0.153 0.000) 0.228 98.797 ( -0.398 -0.026 0.000) 0.399 98.990 ( -1.906 -1.676 0.000) 2.538 99.150 ( -0.984 0.572 0.000) 1.138 99.536 ( 1.115 2.137 0.000) 2.410 99.744 ( 10.455 0.747 0.000) 10.481 99.915 ( -1.829 3.193 0.000) 3.680 100.875 ( -10.880 0.454 0.000) 10.889 ======================= Grid point 23 (17/100) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.627 ( 7.458 8.983 0.000) 11.676 1.809 ( -0.509 10.593 0.000) 10.605 1.990 ( 1.579 1.286 0.000) 2.036 1.990 ( 1.058 3.904 0.000) 4.045 2.159 ( 3.693 -3.367 0.000) 4.998 2.283 ( -1.220 -2.072 0.000) 2.405 2.380 ( 3.054 -6.237 0.000) 6.944 2.433 ( -3.785 0.506 0.000) 3.819 2.655 ( -1.413 -2.290 0.000) 2.691 2.718 ( -0.805 -5.166 0.000) 5.228 2.796 ( -0.491 9.286 0.000) 9.299 3.049 ( 10.262 5.291 0.000) 11.546 3.531 ( -2.013 -0.921 0.000) 2.214 4.041 ( 3.431 -6.021 0.000) 6.930 4.378 ( 0.371 -1.838 0.000) 1.875 4.395 ( -0.155 6.392 0.000) 6.394 4.613 ( 0.563 1.766 0.000) 1.854 4.846 ( -0.176 -2.406 0.000) 2.412 4.964 ( -3.270 1.985 0.000) 3.825 5.125 ( -5.040 -0.094 0.000) 5.041 5.764 ( 0.874 10.101 0.000) 10.139 6.002 ( -2.866 3.585 0.000) 4.590 6.043 ( -0.846 -3.355 0.000) 3.460 6.420 ( 2.385 2.691 0.000) 3.596 6.649 ( -3.125 -3.221 0.000) 4.488 6.714 ( 2.769 10.619 0.000) 10.974 7.313 ( -0.792 6.047 0.000) 6.098 7.642 ( 5.367 4.782 0.000) 7.188 8.093 ( 0.946 3.145 0.000) 3.284 8.170 ( -3.285 -2.246 0.000) 3.979 8.644 ( -1.732 4.735 0.000) 5.041 9.667 ( 16.759 13.933 0.000) 21.794 12.134 ( -0.107 0.366 0.000) 0.381 13.567 ( 2.039 -7.139 0.000) 7.424 13.966 ( 0.756 -1.541 0.000) 1.716 14.729 ( 5.090 1.740 0.000) 5.380 15.332 ( -16.683 1.849 0.000) 16.785 16.334 ( -11.749 -11.280 0.000) 16.287 16.661 ( 10.958 -1.966 0.000) 11.132 17.484 ( -0.907 5.319 0.000) 5.396 17.555 ( 1.545 3.004 0.000) 3.379 17.890 ( 0.639 -1.851 0.000) 1.958 18.673 ( -5.984 7.933 0.000) 9.937 19.439 ( 18.054 -3.376 0.000) 18.367 19.912 ( -1.649 -0.771 0.000) 1.820 21.398 ( 1.178 0.529 0.000) 1.291 21.602 ( -14.947 -10.393 0.000) 18.205 23.323 ( 8.653 -4.878 0.000) 9.933 46.517 ( -7.974 -0.478 0.000) 7.989 47.314 ( 7.797 0.726 0.000) 7.830 47.327 ( -4.194 -1.587 0.000) 4.484 47.894 ( 6.255 1.339 0.000) 6.397 98.783 ( 0.204 -0.075 0.000) 0.217 98.796 ( -0.079 -0.261 0.000) 0.273 98.999 ( -1.250 -2.751 0.000) 3.021 99.130 ( -0.737 0.519 0.000) 0.902 99.501 ( 0.163 3.951 0.000) 3.954 99.813 ( -1.258 2.353 0.000) 2.668 99.905 ( 10.803 3.219 0.000) 11.272 100.721 ( -12.271 -1.328 0.000) 12.342 ======================= Grid point 24 (18/100) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.511 ( 2.892 15.962 0.000) 16.222 1.589 ( -2.009 16.728 0.000) 16.848 1.956 ( -0.438 1.423 0.000) 1.489 2.034 ( 1.413 -3.087 0.000) 3.395 2.160 ( 1.085 6.152 0.000) 6.247 2.340 ( -1.643 -0.813 0.000) 1.833 2.415 ( -0.841 -7.618 0.000) 7.664 2.522 ( 3.094 -6.499 0.000) 7.198 2.548 ( -2.486 17.716 0.000) 17.889 2.691 ( -0.793 -2.031 0.000) 2.180 2.801 ( 0.435 -6.483 0.000) 6.497 3.101 ( 6.530 3.987 0.000) 7.651 3.541 ( -0.674 -2.964 0.000) 3.040 4.178 ( 4.404 -4.521 0.000) 6.312 4.278 ( -3.220 5.704 0.000) 6.550 4.402 ( 0.279 -0.853 0.000) 0.897 4.591 ( -0.224 1.678 0.000) 1.693 4.870 ( -4.182 4.068 0.000) 5.834 4.876 ( 0.479 -1.392 0.000) 1.473 5.109 ( -3.335 -6.571 0.000) 7.369 5.614 ( 0.905 12.738 0.000) 12.770 5.909 ( -2.337 4.130 0.000) 4.745 6.090 ( 0.091 -3.716 0.000) 3.717 6.412 ( 1.738 2.592 0.000) 3.121 6.592 ( 0.714 9.502 0.000) 9.529 6.637 ( -3.250 -1.759 0.000) 3.695 7.238 ( -0.164 3.287 0.000) 3.291 7.641 ( 5.469 6.100 0.000) 8.193 7.896 ( -5.897 12.970 0.000) 14.247 8.233 ( -1.563 -6.224 0.000) 6.417 8.590 ( 0.794 2.743 0.000) 2.855 9.589 ( 7.512 20.357 0.000) 21.699 12.130 ( -0.053 0.066 0.000) 0.085 13.711 ( 2.824 -8.080 0.000) 8.559 13.988 ( 0.387 -0.497 0.000) 0.630 14.784 ( 6.937 2.525 0.000) 7.382 15.096 ( -13.437 1.614 0.000) 13.534 16.338 ( -7.616 -7.947 0.000) 11.007 16.804 ( 5.661 -1.991 0.000) 6.001 17.381 ( -1.298 6.391 0.000) 6.521 17.473 ( -0.438 8.198 0.000) 8.210 17.970 ( 1.593 -5.801 0.000) 6.016 18.475 ( -3.437 10.779 0.000) 11.313 19.686 ( 9.933 -3.836 0.000) 10.648 19.917 ( -0.655 -2.212 0.000) 2.307 21.392 ( 0.409 1.815 0.000) 1.861 21.629 ( -7.600 -15.794 0.000) 17.528 23.522 ( 7.362 -6.798 0.000) 10.021 46.438 ( -4.298 -0.540 0.000) 4.332 47.314 ( -1.767 -2.422 0.000) 2.998 47.385 ( 4.106 0.974 0.000) 4.220 47.937 ( 3.285 2.048 0.000) 3.871 98.787 ( 0.133 -0.139 0.000) 0.192 98.799 ( 0.005 -0.242 0.000) 0.242 99.033 ( -0.388 -3.442 0.000) 3.464 99.116 ( -0.385 0.343 0.000) 0.516 99.437 ( -0.392 4.574 0.000) 4.590 99.739 ( -2.088 3.568 0.000) 4.134 100.014 ( 10.801 4.550 0.000) 11.720 100.580 ( -11.661 -2.989 0.000) 12.038 ======================= Grid point 25 (19/100) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 19.523 0.000) 19.523 1.307 ( 0.000 20.032 0.000) 20.032 1.939 ( 0.000 0.606 0.000) 0.606 1.979 ( 0.000 21.213 0.000) 21.213 2.088 ( -0.000 -2.731 0.000) 2.731 2.308 ( 0.000 10.277 0.000) 10.277 2.319 ( 0.000 0.204 0.000) 0.204 2.540 ( -0.000 -8.681 0.000) 8.681 2.633 ( -0.000 -5.965 0.000) 5.965 2.713 ( -0.000 -0.987 0.000) 0.987 2.904 ( -0.000 -7.228 0.000) 7.228 3.106 ( 0.000 1.785 0.000) 1.785 3.589 ( -0.000 -4.103 0.000) 4.103 4.141 ( 0.000 5.449 0.000) 5.449 4.335 ( -0.000 -9.005 0.000) 9.005 4.407 ( 0.000 0.598 0.000) 0.598 4.567 ( 0.000 1.073 0.000) 1.073 4.745 ( 0.000 6.573 0.000) 6.573 4.888 ( 0.000 0.455 0.000) 0.455 5.214 ( -0.000 -10.210 0.000) 10.210 5.422 ( 0.000 15.095 0.000) 15.095 5.838 ( 0.000 2.638 0.000) 2.638 6.137 ( -0.000 -2.378 0.000) 2.378 6.396 ( 0.000 1.115 0.000) 1.115 6.484 ( 0.000 5.901 0.000) 5.901 6.625 ( -0.000 -0.162 0.000) 0.162 7.218 ( -0.000 -0.596 0.000) 0.596 7.615 ( 0.000 16.349 0.000) 16.349 7.617 ( 0.000 6.475 0.000) 6.475 8.295 ( -0.000 -4.467 0.000) 4.467 8.564 ( 0.000 2.227 0.000) 2.227 9.325 ( 0.000 22.724 0.000) 22.724 12.132 ( -0.000 -0.394 0.000) 0.394 13.854 ( -0.000 -8.097 0.000) 8.097 13.991 ( 0.000 0.442 0.000) 0.442 14.808 ( 0.000 4.542 0.000) 4.542 14.961 ( 0.000 0.238 0.000) 0.238 16.353 ( -0.000 -2.497 0.000) 2.497 16.872 ( -0.000 -1.783 0.000) 1.783 17.278 ( 0.000 6.535 0.000) 6.535 17.341 ( 0.000 9.198 0.000) 9.198 18.070 ( -0.000 -6.221 0.000) 6.221 18.285 ( 0.000 11.986 0.000) 11.986 19.824 ( -0.000 -6.133 0.000) 6.133 19.954 ( -0.000 -3.510 0.000) 3.510 21.360 ( 0.000 3.007 0.000) 3.007 21.824 ( -0.000 -17.835 0.000) 17.835 23.685 ( -0.000 -7.006 0.000) 7.006 46.416 ( -0.000 -0.527 0.000) 0.527 47.343 ( -0.000 -3.144 0.000) 3.144 47.399 ( 0.000 1.073 0.000) 1.073 47.927 ( 0.000 2.450 0.000) 2.450 98.790 ( -0.000 -0.188 0.000) 0.188 98.802 ( -0.000 -0.196 0.000) 0.196 99.075 ( -0.000 -2.113 0.000) 2.113 99.115 ( -0.000 -1.085 0.000) 1.085 99.371 ( 0.000 4.017 0.000) 4.017 99.668 ( 0.000 4.009 0.000) 4.009 100.027 ( 0.000 5.393 0.000) 5.393 100.531 ( -0.000 -3.399 0.000) 3.399 ======================= Grid point 30 (20/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 16.698 -0.000 0.000) 16.698 1.749 ( 0.004 -0.000 0.000) 0.004 1.846 ( 15.854 -0.000 0.000) 15.854 2.160 ( 3.574 -0.000 0.000) 3.574 2.184 ( 2.585 -0.000 0.000) 2.585 2.257 ( -7.984 0.000 0.000) 7.984 2.294 ( -3.576 0.000 0.000) 3.576 2.518 ( -2.783 0.000 0.000) 2.783 2.643 ( -6.718 0.000 0.000) 6.718 2.662 ( -4.154 0.000 0.000) 4.154 2.811 ( 6.266 -0.000 0.000) 6.266 2.977 ( 21.523 -0.000 0.000) 21.523 3.587 ( -4.104 0.000 0.000) 4.104 3.871 ( -1.627 0.000 0.000) 1.627 4.304 ( 0.635 -0.000 0.000) 0.635 4.572 ( -0.188 0.000 0.000) 0.188 4.685 ( 0.525 -0.000 0.000) 0.525 4.744 ( -0.496 0.000 0.000) 0.496 4.997 ( 6.465 -0.000 0.000) 6.465 5.357 ( -10.398 0.000 0.000) 10.398 5.936 ( 4.770 -0.000 0.000) 4.770 5.992 ( -2.778 0.000 0.000) 2.778 6.119 ( -5.835 0.000 0.000) 5.835 6.492 ( 2.253 -0.000 0.000) 2.253 6.539 ( -0.009 0.000 0.000) 0.009 6.960 ( 4.621 -0.000 0.000) 4.621 7.515 ( -1.598 0.000 0.000) 1.598 7.712 ( 10.183 -0.000 0.000) 10.183 7.769 ( 1.848 -0.000 0.000) 1.848 8.340 ( 3.809 -0.000 0.000) 3.809 8.872 ( -4.708 0.000 0.000) 4.708 9.616 ( 27.682 -0.000 0.000) 27.682 12.150 ( -0.260 0.000 0.000) 0.260 13.354 ( 0.693 -0.000 0.000) 0.693 13.890 ( 1.478 -0.000 0.000) 1.478 14.710 ( 3.598 -0.000 0.000) 3.598 15.646 ( -20.070 0.000 0.000) 20.070 16.193 ( -16.618 0.000 0.000) 16.618 16.403 ( 17.411 -0.000 0.000) 17.411 17.459 ( 6.172 -0.000 0.000) 6.172 17.583 ( 4.308 -0.000 0.000) 4.308 17.962 ( -3.325 0.000 0.000) 3.325 18.953 ( -10.616 0.000 0.000) 10.616 19.042 ( 24.382 -0.000 0.000) 24.382 19.947 ( -3.225 0.000 0.000) 3.225 21.367 ( 2.576 -0.000 0.000) 2.576 21.651 ( -19.068 0.000 0.000) 19.068 23.110 ( 6.465 -0.000 0.000) 6.465 46.637 ( -10.694 0.000 0.000) 10.694 47.198 ( 10.837 -0.000 0.000) 10.837 47.368 ( -6.379 0.000 0.000) 6.379 47.809 ( 9.133 -0.000 0.000) 9.133 98.775 ( 0.160 -0.000 0.000) 0.160 98.797 ( -0.568 0.000 0.000) 0.568 98.965 ( -2.276 0.000 0.000) 2.276 99.159 ( -1.236 0.000 0.000) 1.236 99.568 ( 2.573 -0.000 0.000) 2.573 99.759 ( 11.742 -0.000 0.000) 11.742 99.962 ( -3.208 0.000 0.000) 3.208 100.887 ( -12.357 0.000 0.000) 12.357 ======================= Grid point 31 (21/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.730 ( 3.605 1.703 0.000) 3.987 1.936 ( 9.300 -6.394 0.000) 11.286 1.998 ( 7.356 4.435 0.000) 8.589 2.154 ( -1.100 5.729 0.000) 5.834 2.163 ( 2.096 5.320 0.000) 5.718 2.208 ( -1.782 -5.300 0.000) 5.592 2.270 ( -1.184 -2.083 0.000) 2.396 2.481 ( -1.599 1.761 0.000) 2.378 2.590 ( -3.606 -3.304 0.000) 4.891 2.602 ( -3.786 -0.689 0.000) 3.848 2.895 ( 4.659 -0.193 0.000) 4.663 3.214 ( 15.078 4.248 0.000) 15.665 3.528 ( -3.600 0.294 0.000) 3.612 3.878 ( -0.591 -3.728 0.000) 3.775 4.323 ( 0.489 -1.398 0.000) 1.482 4.556 ( 1.467 3.376 0.000) 3.681 4.671 ( 0.664 2.032 0.000) 2.137 4.763 ( -0.535 -2.719 0.000) 2.771 5.058 ( 4.391 3.229 0.000) 5.451 5.201 ( -7.676 2.938 0.000) 8.219 5.949 ( -0.152 3.146 0.000) 3.149 5.967 ( -2.124 -1.538 0.000) 2.622 6.059 ( -2.131 0.452 0.000) 2.179 6.495 ( 2.169 2.435 0.000) 3.262 6.567 ( -0.421 -2.458 0.000) 2.493 6.973 ( 3.121 5.563 0.000) 6.379 7.464 ( -1.910 3.342 0.000) 3.849 7.744 ( 3.369 3.478 0.000) 4.842 7.905 ( 4.523 -7.024 0.000) 8.354 8.357 ( 3.265 5.216 0.000) 6.154 8.771 ( -5.274 3.283 0.000) 6.212 9.935 ( 21.698 4.754 0.000) 22.213 12.145 ( -0.161 0.278 0.000) 0.321 13.393 ( 0.781 -3.876 0.000) 3.954 13.919 ( 1.230 -1.184 0.000) 1.707 14.766 ( 5.319 0.714 0.000) 5.367 15.376 ( -17.429 0.983 0.000) 17.456 16.031 ( -13.660 -7.267 0.000) 15.472 16.615 ( 11.753 -0.985 0.000) 11.794 17.547 ( 4.602 -1.426 0.000) 4.818 17.599 ( 0.575 2.339 0.000) 2.408 17.915 ( -1.670 1.608 0.000) 2.318 18.829 ( -4.859 2.817 0.000) 5.616 19.382 ( 22.481 -0.914 0.000) 22.499 19.906 ( -2.431 0.058 0.000) 2.432 21.400 ( 1.841 -0.143 0.000) 1.847 21.404 ( -19.003 -3.403 0.000) 19.305 23.204 ( 4.929 -2.593 0.000) 5.569 46.507 ( -7.993 -0.177 0.000) 7.995 47.295 ( -4.637 -0.575 0.000) 4.673 47.327 ( 7.953 0.244 0.000) 7.956 47.919 ( 6.816 0.399 0.000) 6.828 98.781 ( 0.440 -0.075 0.000) 0.446 98.790 ( -0.390 -0.087 0.000) 0.400 98.942 ( -2.007 -1.084 0.000) 2.281 99.141 ( -1.021 0.201 0.000) 1.041 99.592 ( 2.447 1.933 0.000) 3.119 99.885 ( 1.043 2.669 0.000) 2.866 99.946 ( 8.732 -0.601 0.000) 8.752 100.707 ( -13.319 0.057 0.000) 13.319 ======================= Grid point 32 (22/100) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 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| 1.762 ( 2.155 0.828 0.000) 2.309 1.963 ( 2.568 8.100 0.000) 8.498 2.037 ( -0.836 4.369 0.000) 4.449 2.052 ( -2.956 6.713 0.000) 7.335 2.142 ( 4.577 -6.176 0.000) 7.687 2.287 ( 2.070 1.131 0.000) 2.359 2.334 ( 3.548 -6.482 0.000) 7.389 2.400 ( -4.369 3.136 0.000) 5.378 2.598 ( -1.242 -3.037 0.000) 3.281 2.629 ( -0.830 -5.649 0.000) 5.710 2.916 ( 1.706 4.845 0.000) 5.137 3.268 ( 6.810 7.921 0.000) 10.446 3.491 ( -1.888 -0.655 0.000) 1.998 3.966 ( 0.997 -7.656 0.000) 7.721 4.354 ( 0.250 -2.046 0.000) 2.061 4.506 ( 1.159 6.958 0.000) 7.054 4.652 ( 0.607 2.246 0.000) 2.327 4.798 ( -0.452 -3.341 0.000) 3.371 5.017 ( 0.881 5.579 0.000) 5.648 5.085 ( -3.668 3.397 0.000) 4.999 5.871 ( -1.164 5.500 0.000) 5.622 5.981 ( -0.862 -3.300 0.000) 3.411 6.020 ( -0.767 2.882 0.000) 2.983 6.492 ( 2.202 2.554 0.000) 3.372 6.580 ( -1.806 -1.712 0.000) 2.488 6.896 ( 1.614 9.665 0.000) 9.799 7.381 ( -1.013 5.175 0.000) 5.273 7.743 ( 2.318 2.354 0.000) 3.304 8.042 ( 1.280 -6.568 0.000) 6.692 8.263 ( -0.123 11.228 0.000) 11.228 8.673 ( -1.782 2.897 0.000) 3.401 10.052 ( 11.172 11.435 0.000) 15.987 12.139 ( -0.070 0.409 0.000) 0.415 13.482 ( 0.821 -6.975 0.000) 7.023 13.952 ( 0.594 -1.600 0.000) 1.707 14.840 ( 7.662 1.409 0.000) 7.790 15.141 ( -14.025 1.351 0.000) 14.089 16.022 ( -7.689 -12.053 0.000) 14.296 16.753 ( 5.680 -1.412 0.000) 5.853 17.545 ( -0.753 4.616 0.000) 4.677 17.607 ( 1.997 0.327 0.000) 2.024 17.882 ( -0.145 0.521 0.000) 0.540 18.722 ( -1.920 6.158 0.000) 6.450 19.649 ( 13.954 0.411 0.000) 13.960 19.883 ( -1.199 -0.446 0.000) 1.279 21.264 ( -12.287 -9.125 0.000) 15.305 21.418 ( 0.860 0.235 0.000) 0.892 23.325 ( 3.511 -6.012 0.000) 6.962 46.425 ( -4.277 -0.345 0.000) 4.290 47.260 ( -2.341 -1.305 0.000) 2.680 47.407 ( 4.183 0.546 0.000) 4.218 47.981 ( 3.570 1.048 0.000) 3.721 98.784 ( 0.024 -0.019 0.000) 0.031 98.792 ( 0.177 -0.241 0.000) 0.300 98.944 ( -1.080 -2.392 0.000) 2.625 99.127 ( -0.543 0.277 0.000) 0.610 99.572 ( 1.073 4.412 0.000) 4.541 99.827 ( -1.730 2.524 0.000) 3.060 100.112 ( 13.561 1.589 0.000) 13.654 100.522 ( -13.907 -0.872 0.000) 13.934 ======================= Grid point 33 (23/100) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 9.193 0.000) 9.193 1.807 ( 0.000 14.971 0.000) 14.971 1.976 ( 0.000 2.126 0.000) 2.126 2.006 ( -0.000 -1.222 0.000) 1.222 2.264 ( 0.000 6.068 0.000) 6.068 2.280 ( -0.000 -7.831 0.000) 7.831 2.328 ( -0.000 -0.595 0.000) 0.595 2.452 ( -0.000 -6.522 0.000) 6.522 2.636 ( -0.000 -3.064 0.000) 3.064 2.711 ( -0.000 -6.353 0.000) 6.353 2.785 ( 0.000 14.303 0.000) 14.303 3.218 ( 0.000 5.643 0.000) 5.643 3.498 ( -0.000 -2.069 0.000) 2.069 4.096 ( -0.000 -8.815 0.000) 8.815 4.384 ( -0.000 -1.852 0.000) 1.852 4.387 ( 0.000 9.909 0.000) 9.909 4.621 ( 0.000 2.485 0.000) 2.485 4.844 ( -0.000 -3.256 0.000) 3.256 4.944 ( 0.000 7.740 0.000) 7.740 5.022 ( -0.000 -1.629 0.000) 1.629 5.768 ( 0.000 8.374 0.000) 8.374 5.958 ( 0.000 4.566 0.000) 4.566 6.031 ( -0.000 -4.247 0.000) 4.247 6.469 ( 0.000 3.172 0.000) 3.172 6.587 ( -0.000 -1.845 0.000) 1.845 6.753 ( 0.000 11.526 0.000) 11.526 7.299 ( 0.000 5.196 0.000) 5.196 7.731 ( 0.000 2.363 0.000) 2.363 8.065 ( 0.000 14.890 0.000) 14.890 8.137 ( -0.000 -6.174 0.000) 6.174 8.629 ( 0.000 2.336 0.000) 2.336 9.921 ( 0.000 17.471 0.000) 17.471 12.133 ( 0.000 0.349 0.000) 0.349 13.604 ( -0.000 -8.817 0.000) 8.817 13.977 ( -0.000 -1.306 0.000) 1.306 14.917 ( 0.000 3.042 0.000) 3.042 14.974 ( 0.000 0.600 0.000) 0.600 16.142 ( -0.000 -11.749 0.000) 11.749 16.815 ( -0.000 -1.871 0.000) 1.871 17.462 ( 0.000 6.017 0.000) 6.017 17.575 ( 0.000 5.697 0.000) 5.697 17.909 ( -0.000 -3.892 0.000) 3.892 18.597 ( 0.000 9.224 0.000) 9.224 19.738 ( 0.000 0.085 0.000) 0.085 19.887 ( -0.000 -1.303 0.000) 1.303 21.349 ( -0.000 -14.410 0.000) 14.410 21.416 ( 0.000 0.973 0.000) 0.973 23.457 ( -0.000 -8.213 0.000) 8.213 46.401 ( -0.000 -0.464 0.000) 0.464 47.268 ( -0.000 -2.062 0.000) 2.062 47.426 ( 0.000 0.807 0.000) 0.807 47.987 ( 0.000 1.641 0.000) 1.641 98.786 ( -0.000 -0.118 0.000) 0.118 98.797 ( -0.000 -0.194 0.000) 0.194 98.979 ( -0.000 -3.377 0.000) 3.377 99.119 ( 0.000 0.350 0.000) 0.350 99.507 ( 0.000 5.291 0.000) 5.291 99.774 ( 0.000 3.224 0.000) 3.224 100.194 ( 0.000 5.871 0.000) 5.871 100.420 ( -0.000 -4.251 0.000) 4.251 ======================= Grid point 40 (24/100) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.190 0.000 0.000) 0.190 2.028 ( 7.552 -0.000 0.000) 7.552 2.100 ( -3.018 0.000 0.000) 3.018 2.148 ( -3.880 0.000 0.000) 3.880 2.164 ( 6.129 -0.000 0.000) 6.129 2.235 ( 1.735 -0.000 0.000) 1.735 2.286 ( 3.637 -0.000 0.000) 3.637 2.479 ( -1.111 0.000 0.000) 1.111 2.518 ( -2.184 0.000 0.000) 2.184 2.537 ( -3.901 0.000 0.000) 3.901 2.944 ( 2.475 -0.000 0.000) 2.475 3.425 ( 9.052 -0.000 0.000) 9.052 3.486 ( -2.423 0.000 0.000) 2.423 3.836 ( -0.723 0.000 0.000) 0.723 4.319 ( 0.299 -0.000 0.000) 0.299 4.608 ( 2.156 -0.000 0.000) 2.156 4.694 ( 0.158 -0.000 0.000) 0.158 4.737 ( -0.078 0.000 0.000) 0.078 5.123 ( -5.567 0.000 0.000) 5.567 5.150 ( 3.585 -0.000 0.000) 3.585 5.930 ( -1.333 0.000 0.000) 1.333 5.945 ( -2.167 0.000 0.000) 2.167 6.060 ( 0.576 -0.000 0.000) 0.576 6.543 ( 0.150 -0.000 0.000) 0.150 6.543 ( 1.135 -0.000 0.000) 1.135 7.044 ( 1.464 -0.000 0.000) 1.464 7.463 ( -1.426 0.000 0.000) 1.426 7.797 ( 0.380 -0.000 0.000) 0.380 7.916 ( 4.173 -0.000 0.000) 4.173 8.439 ( 2.202 -0.000 0.000) 2.202 8.724 ( -4.029 0.000 0.000) 4.029 10.216 ( 12.621 -0.000 0.000) 12.621 12.146 ( -0.085 0.000 0.000) 0.085 13.373 ( 0.476 -0.000 0.000) 0.476 13.925 ( 0.758 -0.000 0.000) 0.758 14.861 ( 7.725 -0.000 0.000) 7.725 15.162 ( -14.269 0.000 0.000) 14.269 15.820 ( -8.163 0.000 0.000) 8.163 16.732 ( 5.922 -0.000 0.000) 5.922 17.587 ( 2.574 -0.000 0.000) 2.574 17.614 ( -0.614 0.000 0.000) 0.614 17.913 ( -0.532 0.000 0.000) 0.532 18.810 ( -1.261 0.000 0.000) 1.261 19.661 ( 16.617 -0.000 0.000) 16.617 19.879 ( -1.410 0.000 0.000) 1.410 21.134 ( -14.708 0.000 0.000) 14.708 21.419 ( 1.038 -0.000 0.000) 1.038 23.232 ( 2.263 -0.000 0.000) 2.263 46.420 ( -4.279 0.000 0.000) 4.279 47.241 ( -2.473 0.000 0.000) 2.473 47.415 ( 4.222 -0.000 0.000) 4.222 47.996 ( 3.718 -0.000 0.000) 3.718 98.785 ( -0.246 0.000 0.000) 0.246 98.788 ( 0.523 -0.000 0.000) 0.523 98.909 ( -1.393 0.000 0.000) 1.393 99.131 ( -0.627 0.000 0.000) 0.627 99.644 ( 2.294 -0.000 0.000) 2.294 99.869 ( -2.724 0.000 0.000) 2.724 100.119 ( 13.887 -0.000 0.000) 13.887 100.517 ( -14.038 0.000 0.000) 14.038 ======================= Grid point 41 (25/100) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -0.000 -1.723 0.000) 1.723 2.054 ( 0.000 2.871 0.000) 2.871 2.082 ( 0.000 2.040 0.000) 2.040 2.117 ( -0.000 -1.789 0.000) 1.789 2.142 ( 0.000 7.970 0.000) 7.970 2.285 ( -0.000 -4.494 0.000) 4.494 2.318 ( -0.000 -0.308 0.000) 0.308 2.423 ( 0.000 4.689 0.000) 4.689 2.541 ( -0.000 -3.251 0.000) 3.251 2.544 ( -0.000 -4.897 0.000) 4.897 2.962 ( 0.000 0.290 0.000) 0.290 3.431 ( 0.000 7.180 0.000) 7.180 3.470 ( -0.000 -0.214 0.000) 0.214 3.875 ( -0.000 -5.555 0.000) 5.555 4.331 ( -0.000 -1.335 0.000) 1.335 4.597 ( 0.000 3.967 0.000) 3.967 4.684 ( 0.000 1.458 0.000) 1.458 4.752 ( -0.000 -2.216 0.000) 2.216 5.064 ( 0.000 2.273 0.000) 2.273 5.142 ( 0.000 4.619 0.000) 4.619 5.912 ( 0.000 2.338 0.000) 2.338 5.935 ( -0.000 -1.991 0.000) 1.991 6.052 ( 0.000 1.712 0.000) 1.712 6.541 ( 0.000 1.481 0.000) 1.481 6.549 ( -0.000 -0.683 0.000) 0.683 7.015 ( 0.000 5.338 0.000) 5.338 7.431 ( 0.000 2.969 0.000) 2.969 7.785 ( 0.000 1.662 0.000) 1.662 7.978 ( -0.000 -4.143 0.000) 4.143 8.402 ( 0.000 7.210 0.000) 7.210 8.686 ( 0.000 1.276 0.000) 1.276 10.261 ( 0.000 6.157 0.000) 6.157 12.143 ( 0.000 0.259 0.000) 0.259 13.406 ( -0.000 -4.105 0.000) 4.105 13.938 ( -0.000 -1.018 0.000) 1.018 14.977 ( 0.000 1.109 0.000) 1.109 14.989 ( 0.000 0.355 0.000) 0.355 15.819 ( -0.000 -7.823 0.000) 7.823 16.777 ( -0.000 -0.678 0.000) 0.678 17.590 ( 0.000 2.557 0.000) 2.557 17.614 ( -0.000 -1.079 0.000) 1.079 17.898 ( 0.000 1.431 0.000) 1.431 18.779 ( 0.000 3.342 0.000) 3.342 19.777 ( 0.000 1.425 0.000) 1.425 19.870 ( -0.000 -0.153 0.000) 0.153 21.060 ( -0.000 -5.397 0.000) 5.397 21.426 ( 0.000 0.036 0.000) 0.036 23.275 ( -0.000 -3.722 0.000) 3.722 46.392 ( -0.000 -0.183 0.000) 0.183 47.229 ( -0.000 -0.688 0.000) 0.688 47.442 ( 0.000 0.287 0.000) 0.287 48.018 ( 0.000 0.558 0.000) 0.558 98.783 ( -0.000 -0.036 0.000) 0.036 98.793 ( -0.000 -0.081 0.000) 0.081 98.909 ( -0.000 -1.360 0.000) 1.360 99.125 ( 0.000 0.117 0.000) 0.117 99.639 ( 0.000 3.113 0.000) 3.113 99.839 ( 0.000 1.213 0.000) 1.213 100.313 ( -0.000 -2.588 0.000) 2.588 100.323 ( 0.000 2.622 0.000) 2.622 ======================= Grid point 81 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 0.000 24.049) 24.049 0.553 ( 0.000 0.000 25.404) 25.404 0.891 ( 0.000 0.000 39.863) 39.863 1.984 ( 0.000 0.000 4.593) 4.593 2.071 ( 0.000 0.000 -6.622) 6.622 2.145 ( 0.000 0.000 0.360) 0.360 2.262 ( 0.000 0.000 -8.370) 8.370 2.676 ( 0.000 0.000 2.810) 2.810 2.749 ( 0.000 0.000 -2.722) 2.722 2.796 ( 0.000 0.000 -2.819) 2.819 3.083 ( 0.000 0.000 -6.502) 6.502 3.190 ( 0.000 0.000 -3.223) 3.223 3.819 ( 0.000 0.000 4.074) 4.074 3.920 ( 0.000 0.000 -0.881) 0.881 4.233 ( 0.000 0.000 -1.215) 1.215 4.267 ( 0.000 0.000 -1.823) 1.823 4.395 ( 0.000 0.000 8.365) 8.365 4.601 ( 0.000 0.000 3.336) 3.336 4.922 ( 0.000 0.000 -1.585) 1.585 5.240 ( 0.000 0.000 -7.068) 7.068 5.992 ( 0.000 0.000 -0.344) 0.344 6.151 ( 0.000 0.000 0.451) 0.451 6.159 ( 0.000 0.000 2.786) 2.786 6.463 ( 0.000 0.000 -0.538) 0.538 6.512 ( 0.000 0.000 1.874) 1.874 6.892 ( 0.000 0.000 -2.377) 2.377 6.958 ( 0.000 0.000 -0.617) 0.617 7.315 ( 0.000 0.000 -4.996) 4.996 7.379 ( 0.000 0.000 5.334) 5.334 7.598 ( 0.000 0.000 4.574) 4.574 8.260 ( 0.000 0.000 -1.543) 1.543 8.593 ( 0.000 0.000 -4.506) 4.506 12.614 ( 0.000 0.000 2.774) 2.774 13.226 ( 0.000 0.000 -9.466) 9.466 14.100 ( 0.000 0.000 12.107) 12.107 14.946 ( 0.000 0.000 -3.364) 3.364 15.038 ( 0.000 0.000 7.000) 7.000 16.169 ( 0.000 0.000 -10.744) 10.744 16.903 ( 0.000 0.000 3.717) 3.717 17.037 ( 0.000 0.000 -0.008) 0.008 17.141 ( 0.000 0.000 4.766) 4.766 17.797 ( 0.000 0.000 -4.768) 4.768 18.373 ( 0.000 0.000 8.951) 8.951 19.975 ( 0.000 0.000 -13.724) 13.724 21.070 ( 0.000 0.000 0.977) 0.977 21.189 ( 0.000 0.000 -0.672) 0.672 22.449 ( 0.000 0.000 0.966) 0.966 22.485 ( 0.000 0.000 0.456) 0.456 46.938 ( 0.000 0.000 1.136) 1.136 47.173 ( 0.000 0.000 -3.380) 3.380 47.415 ( 0.000 0.000 4.250) 4.250 47.792 ( 0.000 0.000 -2.264) 2.264 98.799 ( 0.000 0.000 0.049) 0.049 98.807 ( 0.000 0.000 -0.065) 0.065 99.222 ( 0.000 0.000 -0.272) 0.272 99.251 ( 0.000 0.000 -0.646) 0.646 99.540 ( 0.000 0.000 1.503) 1.503 99.836 ( 0.000 0.000 -2.687) 2.687 100.017 ( 0.000 0.000 0.184) 0.184 100.040 ( 0.000 0.000 -0.173) 0.173 ======================= Grid point 82 (27/100) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -1.596 -12.540 19.371) 23.131 0.680 ( 8.215 -11.895 16.983) 22.302 1.217 ( 20.118 -15.542 28.890) 38.483 1.990 ( 1.077 0.211 4.186) 4.328 2.077 ( -0.001 -0.728 -6.025) 6.069 2.166 ( 2.433 -0.527 -0.289) 2.506 2.254 ( -0.294 0.223 -7.530) 7.539 2.615 ( -7.742 -1.057 1.894) 8.040 2.751 ( -0.656 2.754 -2.820) 3.996 2.782 ( 0.136 0.656 -1.770) 1.893 3.043 ( -3.032 2.376 -5.753) 6.924 3.151 ( -3.419 2.049 -2.384) 4.645 3.795 ( -1.344 1.321 4.498) 4.877 4.002 ( -4.441 -10.136 -4.821) 12.071 4.238 ( 6.805 4.816 -0.319) 8.343 4.416 ( 0.741 -1.761 7.380) 7.623 4.469 ( 10.942 -8.873 -8.054) 16.227 4.613 ( 1.857 0.405 3.528) 4.007 4.859 ( -8.469 -3.805 -0.533) 9.300 5.246 ( 3.987 4.240 -6.554) 8.765 5.851 ( 5.679 16.891 1.064) 17.852 6.042 ( 3.533 11.412 -4.087) 12.626 6.185 ( 3.827 4.485 2.142) 6.272 6.465 ( 2.624 2.824 -0.798) 3.937 6.485 ( -0.847 2.199 3.193) 3.969 6.866 ( -1.161 3.288 11.894) 12.395 7.009 ( 5.984 -2.795 -4.293) 7.877 7.179 ( 6.314 -1.490 0.864) 6.545 7.522 ( 6.285 0.579 9.542) 11.441 8.070 ( 6.112 -23.577 -20.264) 31.684 8.302 ( 3.321 -2.832 -2.380) 4.971 8.626 ( 1.333 -3.284 -5.125) 6.231 12.416 ( -4.852 9.585 12.426) 16.426 13.329 ( -3.867 -9.534 -17.436) 20.245 14.154 ( -4.141 -8.302 11.293) 14.615 14.793 ( -9.320 2.360 5.354) 11.005 15.117 ( 10.595 -0.522 7.160) 12.799 16.378 ( 21.282 3.656 -17.973) 28.095 16.878 ( -5.427 -0.913 3.804) 6.690 17.040 ( -1.302 -3.241 -1.335) 3.739 17.163 ( 1.578 -1.909 4.949) 5.534 17.861 ( 4.802 -4.449 -5.351) 8.455 18.347 ( -1.998 1.738 9.061) 9.440 19.888 ( -8.544 3.241 -12.897) 15.807 20.593 ( -8.781 23.610 22.111) 33.517 21.202 ( 0.621 -1.176 -1.579) 2.064 22.433 ( -0.929 5.232 0.673) 5.356 22.845 ( -13.179 -36.369 -16.991) 42.250 46.719 ( -2.968 9.541 12.260) 15.816 47.222 ( -1.727 -2.408 -5.799) 6.512 47.432 ( -3.049 -3.774 3.761) 6.138 47.782 ( -2.628 -1.173 -2.220) 3.635 98.801 ( 0.362 0.130 0.108) 0.400 98.810 ( 0.329 0.152 0.076) 0.370 99.205 ( -0.674 1.774 0.054) 1.898 99.251 ( -1.424 0.819 0.427) 1.698 99.382 ( -12.124 3.664 13.747) 18.692 99.564 ( -0.823 -2.861 2.334) 3.783 99.948 ( 5.018 7.174 -0.228) 8.758 100.615 ( 26.631 1.048 -21.707) 34.373 ======================= Grid point 83 (28/100) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 4.322 -14.548 10.969) 18.725 1.027 ( 12.193 -14.754 7.907) 20.709 1.720 ( 16.255 -15.596 15.671) 27.441 2.005 ( 1.709 0.735 3.817) 4.247 2.096 ( 0.719 -1.953 -4.220) 4.705 2.218 ( 4.290 0.184 1.646) 4.599 2.259 ( 0.293 -1.613 -7.089) 7.276 2.522 ( -7.769 -1.832 0.987) 8.042 2.666 ( -4.187 3.611 -2.144) 5.930 2.765 ( -0.251 1.686 -0.951) 1.952 2.946 ( -4.912 2.964 -4.269) 7.151 3.046 ( -5.348 3.542 -0.922) 6.481 3.747 ( -1.504 2.538 4.876) 5.699 4.056 ( -4.241 -6.242 -3.379) 8.268 4.301 ( 7.818 1.377 0.660) 7.965 4.437 ( -0.752 -1.058 6.806) 6.929 4.628 ( 2.108 0.487 2.439) 3.260 4.696 ( 6.315 -4.333 -6.279) 9.904 4.871 ( -2.801 -9.170 -1.760) 9.749 5.232 ( 5.013 6.133 -5.322) 9.543 5.698 ( 2.239 13.253 -1.991) 13.587 5.956 ( 7.969 11.615 -7.770) 16.087 6.172 ( 1.069 2.257 2.369) 3.442 6.429 ( -0.045 3.497 -0.081) 3.499 6.463 ( 2.123 2.791 3.231) 4.768 6.835 ( 1.147 0.778 11.224) 11.310 7.095 ( 1.158 -1.010 -6.103) 6.294 7.391 ( 9.662 -8.834 1.785) 13.213 7.629 ( 6.109 -4.324 11.575) 13.784 8.284 ( -0.541 -6.731 -11.929) 13.708 8.423 ( 7.160 -1.778 -3.346) 8.101 8.718 ( 0.045 -7.934 -6.429) 10.212 12.284 ( -1.889 3.766 10.132) 10.973 13.364 ( -4.313 -4.516 -17.560) 18.637 14.184 ( -5.603 -5.914 13.262) 15.565 14.691 ( -3.984 0.197 3.613) 5.382 15.328 ( 17.298 -0.972 7.321) 18.808 16.552 ( 12.508 4.093 -11.836) 17.701 16.770 ( -11.049 -0.335 4.045) 11.771 17.110 ( 1.434 -6.056 -5.174) 8.093 17.248 ( 4.170 -4.440 5.227) 8.026 18.041 ( 8.177 -6.708 -6.517) 12.423 18.277 ( -2.637 2.504 9.084) 9.785 19.667 ( -13.748 5.462 -11.333) 18.635 20.293 ( -3.348 10.377 16.759) 19.994 21.233 ( 0.997 -1.383 -3.708) 4.081 22.327 ( -0.384 7.541 1.892) 7.784 23.013 ( -14.804 -18.159 -12.267) 26.446 46.659 ( 5.297 3.323 8.290) 10.384 47.198 ( -3.719 0.081 -4.483) 5.825 47.440 ( -1.292 -2.232 3.469) 4.322 47.752 ( -4.993 -2.078 -2.066) 5.789 98.801 ( 0.102 0.427 0.421) 0.608 98.811 ( 0.158 0.165 0.308) 0.384 99.142 ( -2.978 2.084 3.706) 5.191 99.190 ( -1.773 1.471 1.010) 2.516 99.359 ( 2.315 -1.890 3.292) 4.446 99.603 ( -1.479 -4.225 1.979) 4.894 99.910 ( 2.761 5.465 0.311) 6.131 100.809 ( 12.687 5.897 -15.432) 20.830 ======================= Grid point 84 (29/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 5.667 -12.360 8.888) 16.244 1.395 ( 11.966 -12.633 4.013) 17.857 1.990 ( 1.728 -1.069 2.136) 2.948 2.003 ( 2.126 -1.068 0.989) 2.576 2.093 ( -3.505 2.152 1.911) 4.535 2.322 ( 1.970 -3.894 -5.669) 7.154 2.367 ( 9.171 -7.100 4.239) 12.349 2.458 ( -4.148 -0.435 -1.103) 4.315 2.558 ( -1.936 3.181 -0.085) 3.725 2.736 ( -0.855 1.258 -1.409) 2.073 2.836 ( -5.679 1.613 -2.887) 6.572 2.928 ( -3.776 3.295 0.401) 5.028 3.694 ( -0.723 2.210 5.826) 6.273 4.068 ( -3.021 -2.604 0.260) 3.997 4.369 ( 3.983 2.084 0.699) 4.549 4.442 ( -0.638 -2.065 5.618) 6.019 4.645 ( 1.765 0.888 4.495) 4.911 4.800 ( 2.109 -2.746 -3.123) 4.663 4.998 ( 0.832 -9.001 -3.496) 9.691 5.216 ( 2.120 2.846 -3.635) 5.080 5.556 ( 2.537 10.861 -4.066) 11.871 5.913 ( 5.559 8.048 -9.620) 13.719 6.148 ( -0.435 1.547 2.115) 2.656 6.393 ( 0.505 1.878 -0.568) 2.026 6.452 ( 1.331 2.217 2.932) 3.909 6.867 ( 1.239 -2.481 8.877) 9.300 7.090 ( 0.001 2.180 -7.181) 7.505 7.572 ( 5.424 -1.329 11.105) 12.430 7.847 ( 8.878 -10.017 3.718) 13.891 8.333 ( -3.023 -4.422 -8.444) 10.000 8.519 ( 9.191 3.920 -1.708) 10.137 8.830 ( -3.165 -9.946 -7.395) 12.792 12.231 ( -0.745 1.621 7.844) 8.044 13.358 ( -2.952 -2.117 -16.872) 17.259 14.184 ( -3.530 -3.358 13.740) 14.578 14.651 ( -2.027 -0.052 1.616) 2.592 15.594 ( 18.541 -0.401 7.239) 19.908 16.579 ( -12.638 -1.358 3.878) 13.289 16.650 ( 4.037 2.491 -6.142) 7.761 17.230 ( 3.381 -5.116 -7.864) 9.972 17.393 ( 5.536 -5.846 5.673) 9.849 18.103 ( -3.856 3.628 4.197) 6.756 18.365 ( 11.432 -7.545 -2.910) 14.003 19.369 ( -16.251 6.635 -8.944) 19.700 20.153 ( -1.581 5.234 12.673) 13.802 21.263 ( 0.943 -0.823 -5.889) 6.021 22.227 ( 0.392 6.157 3.088) 6.899 23.013 ( -10.489 -7.900 -9.131) 15.994 46.729 ( 9.022 1.709 4.641) 10.289 47.121 ( -7.265 -0.206 -2.354) 7.640 47.468 ( 2.670 -0.301 1.955) 3.323 47.704 ( -6.315 -2.248 -1.739) 6.925 98.793 ( -0.206 0.371 0.628) 0.757 98.810 ( 0.073 0.201 0.355) 0.415 99.091 ( -1.720 0.774 1.623) 2.488 99.152 ( -0.777 1.489 -0.199) 1.691 99.431 ( 3.694 -1.929 2.146) 4.688 99.626 ( -3.315 -3.342 0.982) 4.809 99.880 ( 2.683 3.739 2.113) 5.064 100.861 ( 5.961 3.960 -11.370) 13.435 ======================= Grid point 85 (30/100) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 3.348 -5.983 10.299) 12.372 1.698 ( 8.995 -9.107 2.389) 13.021 1.894 ( -3.908 6.578 1.422) 7.782 1.999 ( -3.526 1.725 4.140) 5.705 2.104 ( 2.537 -3.528 -1.846) 4.721 2.308 ( -3.713 3.152 -2.839) 5.637 2.443 ( -0.358 -2.594 -5.861) 6.419 2.468 ( 1.703 -0.266 3.381) 3.795 2.601 ( 1.976 0.823 -5.600) 5.995 2.722 ( 0.647 -1.759 -0.389) 1.915 2.772 ( -1.946 -0.170 0.466) 2.009 2.863 ( -0.845 1.220 1.292) 1.967 3.672 ( 0.217 0.585 7.443) 7.470 4.052 ( -1.664 -0.319 4.748) 5.041 4.365 ( 0.371 1.225 1.092) 1.682 4.466 ( 0.142 -0.879 5.912) 5.979 4.644 ( 0.222 0.824 5.274) 5.342 4.845 ( 0.548 -1.208 -1.359) 1.899 5.128 ( 2.310 -5.546 -5.128) 7.899 5.206 ( -1.415 0.267 -4.315) 4.549 5.465 ( 2.142 6.131 -4.084) 7.672 5.885 ( 1.804 2.933 -10.643) 11.186 6.125 ( -0.411 0.585 1.850) 1.983 6.384 ( 0.409 0.472 -1.096) 1.261 6.439 ( 0.293 0.882 2.336) 2.515 6.923 ( 0.596 -2.729 8.491) 8.938 7.049 ( -0.065 2.664 -8.162) 8.586 7.623 ( 1.387 -0.140 13.766) 13.836 8.063 ( 5.203 -4.223 1.898) 6.965 8.334 ( -2.943 -2.135 -8.073) 8.855 8.572 ( 5.444 3.128 -0.620) 6.309 8.894 ( -2.614 -4.688 -8.092) 9.710 12.211 ( -0.203 0.474 6.881) 6.900 13.348 ( -1.058 -0.622 -16.419) 16.464 14.184 ( -1.124 -1.134 13.331) 13.426 14.632 ( -0.684 0.010 0.769) 1.029 15.814 ( 10.808 0.163 6.708) 12.722 16.414 ( -9.471 -0.639 6.539) 11.527 16.680 ( 1.697 0.431 -5.981) 6.232 17.321 ( 1.722 -1.938 -8.876) 9.247 17.537 ( 3.564 -3.701 6.480) 8.269 17.987 ( -3.304 3.130 5.462) 7.109 18.655 ( 12.839 -6.997 -5.816) 15.737 19.053 ( -14.356 6.297 -6.766) 17.074 20.091 ( -0.469 1.666 10.943) 11.079 21.281 ( 0.402 -0.228 -7.191) 7.206 22.171 ( 0.331 2.321 3.821) 4.483 22.978 ( -3.901 -2.126 -7.929) 9.089 46.838 ( 8.197 1.005 2.312) 8.576 47.017 ( -7.584 -0.597 -0.352) 7.616 47.513 ( 3.261 0.519 0.691) 3.374 47.650 ( -4.369 -1.332 -1.314) 4.753 98.787 ( -0.103 0.120 0.556) 0.578 98.808 ( -0.014 0.111 0.447) 0.461 99.068 ( -0.606 0.224 0.310) 0.717 99.129 ( -0.216 0.607 -0.751) 0.990 99.503 ( 3.007 -1.015 2.091) 3.801 99.606 ( -3.091 -0.823 -0.288) 3.211 99.876 ( 1.273 1.121 3.828) 4.187 100.876 ( 1.773 1.327 -9.697) 9.947 ======================= Grid point 91 (31/100) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 15.895 -0.000 6.297) 17.097 0.750 ( 14.212 -0.000 14.595) 20.372 1.446 ( 25.053 -0.000 26.599) 36.540 2.008 ( 1.383 -0.000 2.142) 2.550 2.089 ( 2.169 -0.000 -2.596) 3.383 2.172 ( -0.521 0.000 -6.172) 6.194 2.278 ( 4.077 -0.000 -3.025) 5.077 2.478 ( -9.830 0.000 3.215) 10.343 2.721 ( -5.089 0.000 -2.297) 5.584 2.797 ( -0.106 0.000 -2.252) 2.254 2.996 ( -5.939 0.000 -4.509) 7.457 3.103 ( -5.747 0.000 -1.260) 5.883 3.781 ( -1.765 0.000 3.298) 3.741 3.906 ( -0.444 0.000 -1.786) 1.840 4.331 ( 0.686 -0.000 2.444) 2.538 4.466 ( 6.461 -0.000 4.270) 7.745 4.568 ( 12.112 -0.000 -5.827) 13.441 4.651 ( 2.974 -0.000 4.354) 5.273 4.726 ( -5.790 0.000 -3.822) 6.938 5.359 ( 7.003 -0.000 -8.195) 10.779 5.917 ( -6.432 0.000 -2.218) 6.804 6.081 ( -1.363 0.000 -2.730) 3.051 6.305 ( 0.317 -0.000 -3.147) 3.163 6.486 ( -1.434 0.000 2.938) 3.269 6.564 ( 7.625 -0.000 1.263) 7.728 6.838 ( -1.541 0.000 14.041) 14.126 7.077 ( 8.997 -0.000 -1.469) 9.116 7.338 ( 1.580 -0.000 -6.091) 6.292 7.687 ( 5.367 -0.000 6.645) 8.542 8.009 ( 16.257 -0.000 -18.243) 24.436 8.355 ( 8.029 -0.000 -3.866) 8.911 8.652 ( 4.319 -0.000 -8.539) 9.569 12.389 ( -7.371 0.000 12.516) 14.525 13.213 ( -0.752 0.000 -9.895) 9.924 14.055 ( -2.134 0.000 12.177) 12.362 14.697 ( -5.084 0.000 3.963) 6.447 15.313 ( 17.800 -0.000 7.053) 19.146 16.667 ( 3.390 -0.000 -12.342) 12.799 16.811 ( 3.529 -0.000 -8.321) 9.039 16.936 ( -7.586 0.000 -0.601) 7.610 17.197 ( 4.957 -0.000 4.724) 6.848 17.925 ( 9.380 -0.000 -5.579) 10.914 18.320 ( -3.483 0.000 8.877) 9.536 19.751 ( -14.042 0.000 -12.227) 18.619 20.557 ( -17.188 0.000 22.612) 28.403 21.206 ( 1.173 -0.000 -1.483) 1.890 22.372 ( -5.599 0.000 1.090) 5.704 22.576 ( 6.932 -0.000 -3.164) 7.620 46.741 ( -0.246 0.000 11.248) 11.250 47.189 ( -1.997 0.000 -3.506) 4.035 47.373 ( 0.271 -0.000 4.234) 4.243 47.723 ( -4.736 0.000 -2.098) 5.180 98.808 ( 0.505 -0.000 0.230) 0.555 98.814 ( -0.155 0.000 0.638) 0.656 99.187 ( -7.064 0.000 7.004) 9.948 99.208 ( -1.005 0.000 -0.602) 1.171 99.332 ( 2.487 -0.000 3.433) 4.239 99.534 ( -0.063 0.000 1.719) 1.720 100.031 ( 0.649 -0.000 0.536) 0.842 100.955 ( 12.655 -0.000 -28.095) 30.814 ======================= Grid point 92 (32/100) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 18.195 -1.213 2.918) 18.468 1.060 ( 17.410 -9.889 5.136) 20.670 1.798 ( 14.682 -6.022 15.824) 22.411 2.031 ( 1.798 -0.105 1.166) 2.145 2.124 ( 3.955 0.984 -1.002) 4.197 2.202 ( 0.871 -4.239 -6.413) 7.736 2.314 ( 3.076 2.867 2.111) 4.705 2.403 ( -1.240 -2.899 1.284) 3.405 2.630 ( -5.801 1.493 -0.796) 6.042 2.776 ( -1.373 1.022 -1.808) 2.489 2.890 ( -7.428 1.302 -3.566) 8.341 3.001 ( -6.613 1.548 0.699) 6.828 3.745 ( -2.169 1.110 3.368) 4.157 3.936 ( -1.237 -4.554 -1.954) 5.108 4.349 ( 0.780 -1.840 3.452) 3.989 4.499 ( 3.336 4.787 1.322) 5.982 4.682 ( 3.372 1.051 4.122) 5.428 4.715 ( -0.823 -4.345 -4.293) 6.164 4.753 ( 7.237 -4.650 -2.171) 8.872 5.411 ( 6.265 6.738 -8.529) 12.545 5.775 ( -6.883 4.059 -2.974) 8.527 6.057 ( -1.583 0.636 -3.998) 4.347 6.261 ( -0.631 4.056 -0.910) 4.205 6.455 ( -0.813 1.750 2.495) 3.154 6.619 ( 7.581 7.090 2.681) 10.720 6.837 ( -0.924 -1.411 11.919) 12.038 7.227 ( 7.547 6.102 -6.469) 11.664 7.385 ( 9.424 -8.645 1.794) 12.914 7.726 ( 6.527 3.182 9.978) 12.341 8.198 ( 1.975 -4.838 -9.704) 11.022 8.534 ( 14.568 -2.290 -5.151) 15.620 8.707 ( 3.222 0.466 -11.154) 11.619 12.294 ( -3.054 2.230 10.185) 10.864 13.242 ( -1.942 -4.717 -12.101) 13.132 14.059 ( -1.857 -3.699 12.460) 13.130 14.654 ( -1.546 0.099 1.637) 2.254 15.591 ( 21.252 0.042 7.160) 22.425 16.534 ( -15.537 -1.197 3.177) 15.903 16.751 ( -4.066 5.023 -4.500) 7.875 17.041 ( 6.890 -7.174 -13.154) 16.492 17.295 ( 7.802 -1.273 5.100) 9.408 18.100 ( 9.266 -2.765 -5.540) 11.144 18.270 ( -0.006 0.372 7.527) 7.537 19.513 ( -16.795 2.880 -10.546) 20.039 20.323 ( -8.754 5.212 17.937) 20.629 21.231 ( 1.276 -0.933 -2.975) 3.369 22.300 ( -9.063 -1.985 1.124) 9.345 22.735 ( 4.679 -7.198 -6.137) 10.553 46.780 ( 7.288 1.479 6.847) 10.109 47.114 ( -8.366 -0.217 -0.998) 8.428 47.436 ( 5.464 -1.537 1.395) 5.845 47.653 ( -6.106 -0.957 -1.713) 6.414 98.805 ( -0.465 0.349 0.991) 1.149 98.814 ( 0.149 0.036 0.418) 0.445 99.108 ( -3.784 0.420 4.434) 5.844 99.186 ( -1.328 0.680 -0.921) 1.753 99.396 ( 5.470 -0.561 1.420) 5.679 99.550 ( 0.231 -1.592 2.183) 2.712 100.009 ( 0.679 3.667 0.860) 3.828 101.001 ( 2.213 4.548 -18.509) 19.188 ======================= Grid point 93 (33/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 16.534 -2.621 4.805) 17.416 1.438 ( 16.183 -9.170 1.586) 18.668 1.970 ( 2.516 -4.736 3.817) 6.583 2.038 ( -0.039 1.581 1.256) 2.019 2.098 ( -2.270 4.743 0.947) 5.343 2.262 ( -0.944 -4.585 -7.598) 8.924 2.431 ( 0.822 0.994 1.618) 2.069 2.439 ( 7.471 -0.526 2.450) 7.880 2.571 ( 3.975 -1.376 2.894) 5.106 2.745 ( -1.694 1.321 -2.679) 3.434 2.774 ( -4.947 0.558 -2.645) 5.637 2.898 ( -5.048 0.931 2.365) 5.652 3.698 ( -1.943 1.123 4.765) 5.267 3.979 ( -1.970 -4.459 -0.399) 4.890 4.398 ( 0.608 -3.207 4.894) 5.882 4.455 ( 0.633 4.533 -1.037) 4.693 4.703 ( 2.646 2.243 6.019) 6.947 4.777 ( 0.296 -3.934 -2.011) 4.428 4.899 ( 3.344 -5.567 -2.294) 6.887 5.334 ( 0.452 9.057 -4.606) 10.171 5.668 ( -0.823 3.804 -7.182) 8.169 6.014 ( -1.920 2.158 -6.159) 6.802 6.189 ( -1.220 3.942 1.819) 4.510 6.425 ( 0.423 1.905 1.549) 2.492 6.596 ( 5.999 8.886 2.246) 10.954 6.849 ( -0.016 -1.401 9.464) 9.567 7.198 ( 4.876 7.481 -8.938) 12.635 7.648 ( 7.060 -2.383 10.151) 12.593 7.831 ( 8.520 -7.575 7.962) 13.906 8.236 ( -2.528 -2.352 -6.426) 7.295 8.689 ( 2.161 3.776 -8.868) 9.878 8.811 ( 16.193 -1.717 -7.742) 18.031 12.240 ( -1.191 1.454 7.884) 8.105 13.277 ( -1.723 -3.965 -13.876) 14.534 14.096 ( -0.954 -4.082 12.657) 13.333 14.641 ( 0.133 0.414 0.473) 0.642 15.854 ( 16.092 2.340 6.890) 17.661 16.345 ( -13.696 -3.663 5.343) 15.150 16.648 ( -7.347 -1.769 -4.000) 8.550 17.221 ( 6.469 -4.475 -10.881) 13.427 17.440 ( 8.922 -2.183 5.834) 10.881 18.091 ( -4.843 3.068 4.439) 7.250 18.463 ( 16.566 -5.598 -4.147) 17.972 19.222 ( -16.651 4.792 -7.955) 19.066 20.169 ( -4.996 3.338 13.140) 14.448 21.260 ( 0.564 -1.008 -5.345) 5.468 22.186 ( -10.191 -1.536 2.712) 10.657 22.872 ( 3.663 -4.287 -7.414) 9.314 46.875 ( 7.428 1.536 2.981) 8.150 46.993 ( -8.356 -0.980 0.454) 8.425 47.525 ( 3.394 0.362 0.179) 3.418 47.599 ( -2.252 -2.056 -1.052) 3.226 98.794 ( -0.447 0.273 0.935) 1.071 98.812 ( -0.168 0.157 0.458) 0.513 99.065 ( -2.397 -0.204 2.026) 3.145 99.156 ( -1.119 0.919 -1.293) 1.941 99.487 ( 6.487 -0.182 1.054) 6.575 99.574 ( 0.132 -1.133 2.169) 2.451 99.960 ( 0.294 3.887 1.710) 4.257 100.943 ( -1.895 3.119 -12.574) 13.093 ======================= Grid point 94 (34/100) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 13.069 0.021 7.025) 14.838 1.739 ( 11.166 -5.102 1.456) 12.363 1.956 ( -2.898 8.158 1.912) 8.866 1.988 ( -1.221 1.605 2.939) 3.565 2.093 ( 3.525 -4.202 -0.767) 5.538 2.286 ( -2.846 -2.082 -5.217) 6.297 2.370 ( -3.572 1.105 -2.779) 4.658 2.473 ( 0.280 -0.839 2.146) 2.321 2.652 ( -1.357 2.394 -4.908) 5.626 2.741 ( 6.361 -1.011 -0.517) 6.462 2.776 ( 1.799 0.091 0.116) 1.805 2.850 ( -0.904 -0.262 3.557) 3.679 3.666 ( -1.607 0.116 6.704) 6.895 4.013 ( -0.547 -3.331 2.596) 4.258 4.400 ( -0.003 3.515 0.347) 3.532 4.444 ( 0.281 -2.214 6.147) 6.540 4.683 ( 0.731 3.205 7.055) 7.784 4.833 ( 0.905 -2.517 -1.086) 2.887 5.005 ( -0.882 -6.851 -3.480) 7.734 5.220 ( -2.763 4.070 -3.615) 6.104 5.605 ( 1.710 6.953 -8.419) 11.052 5.939 ( -2.541 3.903 -8.709) 9.876 6.131 ( -0.994 1.517 3.178) 3.659 6.409 ( 0.724 1.698 0.421) 1.893 6.545 ( 4.776 8.281 1.261) 9.642 6.876 ( -0.588 -2.867 8.463) 8.955 7.154 ( 3.640 7.149 -8.207) 11.477 7.684 ( 2.931 3.355 12.578) 13.344 8.071 ( 6.082 -5.066 5.907) 9.877 8.223 ( -4.210 -4.896 -5.724) 8.629 8.614 ( -3.629 4.254 -8.549) 10.216 9.045 ( 18.895 4.744 -7.124) 20.743 12.215 ( -0.433 0.676 6.847) 6.894 13.311 ( -0.373 -3.001 -15.200) 15.498 14.146 ( 0.440 -3.326 12.911) 13.339 14.645 ( 1.578 0.730 0.315) 1.767 15.852 ( -9.982 2.775 6.161) 12.054 16.373 ( 9.275 -3.373 6.841) 12.008 16.591 ( -8.786 -5.586 -5.023) 11.559 17.331 ( 3.189 -1.091 -8.987) 9.598 17.577 ( 6.331 -0.671 7.124) 9.554 17.981 ( -3.376 2.524 4.965) 6.514 18.760 ( 10.564 -1.875 -6.336) 12.461 18.962 ( -6.304 2.111 -6.082) 9.010 20.083 ( -3.249 0.906 10.496) 11.025 21.271 ( -0.889 -0.792 -7.920) 8.009 22.080 ( -9.922 -3.712 5.357) 11.871 22.979 ( 6.420 -1.661 -8.152) 10.508 46.819 ( -9.882 -0.344 1.895) 10.068 47.027 ( 7.737 0.165 -0.790) 7.779 47.497 ( -3.954 -0.534 1.318) 4.201 47.671 ( 7.161 0.189 -1.163) 7.258 98.787 ( -0.163 0.064 0.630) 0.654 98.807 ( -0.282 0.048 0.458) 0.540 99.046 ( -1.484 -1.017 0.773) 1.958 99.133 ( -0.610 0.589 -1.328) 1.575 99.543 ( 1.103 1.601 2.797) 3.407 99.612 ( 5.612 -0.235 -0.382) 5.630 99.909 ( -0.917 2.872 2.893) 4.178 100.869 ( -4.804 0.733 -9.842) 10.976 ======================= Grid point 95 (35/100) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 5.879 10.273 7.866) 14.212 1.747 ( -5.694 11.773 3.351) 13.500 1.879 ( 3.503 -2.949 -0.753) 4.641 2.034 ( 4.897 -1.567 4.609) 6.905 2.127 ( -1.108 3.181 -1.320) 3.618 2.317 ( 3.534 -3.363 -1.704) 5.168 2.376 ( -1.864 -7.088 -4.895) 8.813 2.444 ( -2.908 1.147 -2.630) 4.085 2.629 ( 0.508 3.561 -1.912) 4.074 2.746 ( -0.464 2.841 1.032) 3.058 2.828 ( 0.227 -3.488 1.102) 3.665 2.858 ( 5.808 3.012 0.380) 6.554 3.645 ( -1.884 -0.917 6.716) 7.035 4.068 ( 2.205 -2.423 2.623) 4.197 4.358 ( -0.745 2.014 1.923) 2.883 4.468 ( 0.522 -0.490 6.236) 6.276 4.654 ( 0.220 1.762 5.692) 5.962 4.858 ( 0.345 0.739 -0.533) 0.974 5.044 ( -6.569 -4.541 -2.183) 8.279 5.171 ( -1.861 -3.445 -4.246) 5.776 5.507 ( 1.192 9.459 -6.115) 11.327 5.843 ( -4.089 2.786 -10.955) 12.021 6.120 ( 0.016 -0.714 2.494) 2.594 6.391 ( -0.004 1.609 -1.475) 2.183 6.503 ( 3.830 5.890 2.540) 7.471 6.898 ( -2.375 -2.302 9.207) 9.783 7.108 ( 3.657 5.498 -7.482) 9.979 7.658 ( 1.172 4.409 11.639) 12.501 8.042 ( -6.121 4.480 -2.662) 8.039 8.318 ( -0.181 -7.646 2.182) 7.953 8.496 ( -3.111 4.562 -7.868) 9.613 9.168 ( 15.132 11.917 -6.839) 20.439 12.208 ( -0.023 -0.117 6.760) 6.761 13.354 ( 1.275 -2.143 -16.779) 16.963 14.202 ( 2.168 -2.035 13.852) 14.168 14.665 ( 3.087 0.933 0.902) 3.348 15.619 ( -17.118 1.440 6.779) 18.468 16.543 ( -8.648 -6.079 -6.182) 12.246 16.583 ( 12.233 -1.202 5.741) 13.566 17.336 ( -0.515 2.642 -6.900) 7.407 17.579 ( -0.784 5.903 6.206) 8.601 17.984 ( 2.953 -3.380 6.261) 7.703 18.605 ( -10.172 8.376 -5.456) 14.262 19.178 ( 16.826 -6.201 -7.501) 19.438 20.053 ( -2.039 -1.854 9.559) 9.949 21.261 ( -2.131 -1.003 -9.651) 9.934 22.029 ( -7.973 -6.880 7.756) 13.079 23.109 ( 10.414 -0.372 -9.429) 14.054 46.690 ( -9.674 -1.051 3.161) 10.231 47.121 ( 5.304 -0.233 -4.322) 6.846 47.465 ( -1.157 -0.246 3.812) 3.991 47.760 ( 7.178 1.559 -1.587) 7.515 98.787 ( 0.040 -0.114 0.424) 0.441 98.804 ( -0.197 -0.167 0.337) 0.425 99.053 ( -0.458 -1.862 0.433) 1.966 99.126 ( 0.042 -0.189 -0.574) 0.606 99.503 ( -1.185 3.017 3.145) 4.517 99.704 ( 8.138 1.553 -1.433) 8.408 99.849 ( -2.899 1.740 3.496) 4.864 100.787 ( -7.760 -1.410 -8.932) 11.916 ======================= Grid point 96 (36/100) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 2.700 16.803 7.612) 18.643 1.466 ( -6.642 15.347 4.570) 17.336 1.954 ( 0.539 -2.672 1.270) 3.007 2.040 ( -1.634 5.813 -1.998) 6.360 2.108 ( 1.993 -1.530 3.287) 4.137 2.323 ( -3.347 1.923 -4.684) 6.070 2.408 ( -4.905 12.431 3.826) 13.900 2.464 ( 0.994 -6.636 -3.455) 7.547 2.545 ( 4.539 -3.161 -0.619) 5.566 2.741 ( 0.336 -0.372 1.156) 1.260 2.870 ( 1.534 -2.847 -0.629) 3.295 2.950 ( 7.260 -1.082 -1.082) 7.419 3.656 ( -0.528 -3.141 5.606) 6.447 4.127 ( 3.005 -0.527 -0.848) 3.167 4.299 ( -4.716 1.469 1.746) 5.239 4.481 ( 2.092 0.914 6.111) 6.523 4.629 ( -0.923 1.054 4.258) 4.482 4.811 ( -2.814 3.552 -3.371) 5.648 5.000 ( -5.011 -2.111 0.486) 5.459 5.229 ( 0.110 -3.278 -2.672) 4.230 5.390 ( -2.445 3.990 -3.537) 5.866 5.757 ( -5.969 -0.862 -11.706) 13.168 6.142 ( 0.658 -1.180 1.544) 2.051 6.373 ( -0.315 0.138 -2.147) 2.174 6.480 ( 2.582 3.901 4.308) 6.360 6.866 ( -3.221 0.706 10.238) 10.756 7.117 ( 4.111 1.191 -6.256) 7.580 7.576 ( -2.237 7.081 7.057) 10.244 7.849 ( -8.082 7.092 0.423) 10.761 8.363 ( -5.297 -4.028 0.359) 6.664 8.434 ( 2.984 4.020 -7.111) 8.696 9.122 ( 8.702 17.545 -6.107) 20.515 12.218 ( 0.282 -1.154 7.469) 7.563 13.404 ( 2.465 -1.109 -18.809) 19.002 14.265 ( 4.335 -0.561 15.124) 15.743 14.703 ( 4.359 1.135 1.956) 4.911 15.362 ( -16.533 1.362 7.337) 18.139 16.468 ( -11.353 -3.765 -8.457) 14.649 16.767 ( 10.907 -0.740 5.005) 12.023 17.260 ( -2.039 4.883 -4.580) 6.999 17.443 ( -2.576 8.323 5.060) 10.075 18.097 ( 3.259 -4.188 5.472) 7.622 18.353 ( -7.266 8.979 -2.933) 11.917 19.486 ( 14.037 -6.345 -9.390) 18.041 20.080 ( -1.009 -4.964 10.135) 11.330 21.246 ( -1.931 -1.001 -9.376) 9.625 22.058 ( -4.967 -9.940 8.373) 13.913 23.269 ( 13.212 1.468 -12.171) 18.023 46.591 ( -7.156 -1.687 4.962) 8.871 47.179 ( 1.964 -1.171 -6.732) 7.110 47.472 ( 2.072 0.546 5.435) 5.843 47.821 ( 5.523 2.383 -1.926) 6.316 98.790 ( 0.051 -0.269 0.313) 0.416 98.805 ( -0.179 -0.231 0.147) 0.327 99.084 ( 0.415 -2.342 0.800) 2.509 99.142 ( 0.890 -1.352 1.105) 1.960 99.437 ( -1.330 3.539 3.752) 5.326 99.743 ( 1.066 5.152 2.003) 5.630 99.821 ( 2.932 -0.762 -0.826) 3.140 100.689 ( -10.939 -2.872 -9.207) 14.584 ======================= Grid point 97 (37/100) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 2.756 18.712 9.896) 21.347 1.142 ( -5.238 18.010 7.876) 20.343 1.813 ( -7.471 19.946 10.278) 23.649 1.973 ( -0.775 -0.987 3.079) 3.325 2.133 ( 0.645 1.062 -0.698) 1.425 2.184 ( -2.771 4.827 0.234) 5.571 2.262 ( -1.807 1.038 -6.350) 6.683 2.582 ( 2.353 -5.765 -2.999) 6.912 2.669 ( 4.547 -2.713 -0.731) 5.345 2.745 ( -0.703 -0.745 1.123) 1.520 2.946 ( 1.952 -3.734 -3.389) 5.407 3.064 ( 4.427 -2.960 -1.233) 5.466 3.711 ( 0.419 -4.221 5.421) 6.883 4.157 ( -0.153 0.654 -0.113) 0.681 4.215 ( -1.295 1.422 -3.532) 4.022 4.500 ( 3.980 2.743 5.833) 7.575 4.605 ( -1.031 0.329 3.377) 3.546 4.684 ( -6.219 5.577 -6.043) 10.310 4.982 ( -0.480 -2.217 2.720) 3.542 5.172 ( -0.624 8.305 -3.431) 9.008 5.385 ( -8.549 -10.223 -1.020) 13.365 5.728 ( -4.059 -6.366 -8.317) 11.232 6.161 ( 0.338 -0.422 1.106) 1.231 6.386 ( 0.151 -1.963 -1.504) 2.478 6.463 ( 1.087 1.941 4.597) 5.107 6.817 ( -1.768 0.597 11.580) 11.729 7.167 ( 4.835 1.371 -5.027) 7.108 7.382 ( -7.239 9.741 -1.233) 12.199 7.663 ( -3.460 7.717 9.508) 12.725 8.336 ( -2.459 -0.549 -3.336) 4.180 8.404 ( 0.601 4.927 -7.984) 9.401 8.938 ( 2.979 18.304 -5.302) 19.288 12.251 ( 0.514 -2.892 9.057) 9.521 13.447 ( 2.491 0.217 -21.041) 21.189 14.331 ( 5.438 1.680 14.416) 15.499 14.753 ( 4.584 0.561 3.686) 5.909 15.142 ( -11.564 1.153 7.829) 14.012 16.338 ( -10.918 -0.207 -9.905) 14.743 16.895 ( 6.062 -0.371 3.945) 7.242 17.160 ( -1.413 5.227 -2.493) 5.961 17.299 ( -1.496 7.403 4.922) 9.015 18.067 ( -3.720 8.325 -6.085) 10.962 18.265 ( 1.257 -2.849 9.583) 10.076 19.735 ( 8.194 -6.588 -11.319) 15.449 20.167 ( -0.356 -8.755 12.594) 15.343 21.234 ( -0.855 0.136 -6.909) 6.963 22.168 ( -1.790 -11.742 6.638) 13.606 23.408 ( 12.335 5.464 -18.232) 22.681 46.549 ( -3.375 -3.150 7.617) 8.907 47.219 ( 1.047 -1.621 -7.393) 7.640 47.494 ( 2.349 0.967 5.107) 5.704 47.844 ( 2.991 2.711 -2.206) 4.600 98.794 ( -0.101 -0.272 0.137) 0.321 98.805 ( -0.172 -0.186 0.004) 0.253 99.129 ( 0.640 -2.844 1.454) 3.257 99.189 ( 1.745 -2.600 3.133) 4.430 99.378 ( -0.074 2.652 5.988) 6.550 99.657 ( -3.039 3.552 2.471) 5.287 99.879 ( 4.755 1.749 -2.429) 5.619 100.565 ( -12.077 -2.321 -10.068) 15.893 ======================= Grid point 98 (38/100) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 0.000 17.892 12.580) 21.872 0.850 ( 0.000 16.961 15.251) 22.809 1.389 ( 0.000 26.407 22.576) 34.742 1.977 ( -0.000 -0.502 3.944) 3.976 2.104 ( 0.000 2.693 -6.215) 6.773 2.147 ( -0.000 -0.139 0.695) 0.709 2.249 ( -0.000 -0.412 -6.948) 6.960 2.681 ( -0.000 -4.841 -3.521) 5.986 2.705 ( 0.000 1.807 2.138) 2.799 2.763 ( -0.000 -2.480 -1.573) 2.937 3.016 ( -0.000 -3.892 -5.471) 6.714 3.140 ( -0.000 -3.065 -1.856) 3.582 3.771 ( -0.000 -3.325 5.458) 6.391 4.137 ( -0.000 -1.640 1.859) 2.479 4.198 ( 0.000 5.732 -11.384) 12.746 4.488 ( 0.000 9.232 -3.309) 9.807 4.495 ( 0.000 5.852 2.171) 6.242 4.596 ( -0.000 -0.167 3.387) 3.391 5.020 ( 0.000 7.822 -2.739) 8.288 5.120 ( -0.000 -10.388 1.372) 10.478 5.434 ( -0.000 -13.886 6.443) 15.308 5.837 ( -0.000 -11.673 -4.191) 12.402 6.164 ( 0.000 0.132 1.681) 1.686 6.417 ( -0.000 -2.072 -1.566) 2.597 6.465 ( -0.000 -1.172 4.090) 4.255 6.810 ( -0.000 -1.614 12.874) 12.974 7.119 ( 0.000 12.843 -4.576) 13.634 7.220 ( 0.000 3.104 -2.281) 3.852 7.528 ( 0.000 6.748 12.302) 14.031 8.284 ( 0.000 9.784 -14.038) 17.111 8.322 ( 0.000 3.406 -3.773) 5.083 8.730 ( 0.000 12.337 -4.977) 13.303 12.320 ( -0.000 -6.452 11.455) 13.147 13.450 ( 0.000 2.923 -22.786) 22.972 14.319 ( 0.000 7.002 10.013) 12.218 14.812 ( -0.000 -3.630 5.917) 6.942 15.045 ( 0.000 0.454 7.781) 7.795 16.218 ( 0.000 2.834 -10.061) 10.452 16.935 ( 0.000 0.979 3.537) 3.670 17.085 ( 0.000 3.625 -1.078) 3.782 17.202 ( 0.000 4.768 5.087) 6.972 17.914 ( 0.000 7.791 -5.506) 9.540 18.325 ( -0.000 -3.202 9.501) 10.026 19.884 ( -0.000 -5.800 -12.740) 13.998 20.333 ( -0.000 -15.903 18.185) 24.157 21.217 ( 0.000 1.301 -3.671) 3.895 22.320 ( -0.000 -10.363 3.501) 10.938 23.374 ( 0.000 16.384 -28.574) 32.938 46.598 ( -0.000 -7.175 11.015) 13.146 47.248 ( -0.000 -0.879 -7.499) 7.550 47.497 ( 0.000 1.567 3.475) 3.812 47.828 ( 0.000 2.424 -2.379) 3.396 98.796 ( -0.000 -0.172 0.045) 0.177 98.806 ( -0.000 -0.107 -0.078) 0.132 99.176 ( -0.000 -2.916 0.732) 3.006 99.244 ( -0.000 -1.960 1.155) 2.274 99.397 ( -0.000 -5.733 15.618) 16.637 99.582 ( 0.000 2.756 1.446) 3.112 99.877 ( 0.000 2.816 -2.742) 3.930 100.457 ( 0.000 2.687 -11.099) 11.419 ======================= Grid point 101 (39/100) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 21.701 -0.000 -6.344) 22.609 1.219 ( 18.333 -0.000 6.214) 19.358 1.882 ( 3.271 -0.000 9.916) 10.441 2.060 ( 1.720 -0.000 0.612) 1.825 2.142 ( -1.056 0.000 -11.985) 12.032 2.216 ( 1.567 -0.000 5.222) 5.452 2.423 ( 15.696 -0.000 5.888) 16.764 2.443 ( 3.562 -0.000 -0.321) 3.576 2.570 ( -2.794 0.000 0.694) 2.879 2.755 ( -2.351 0.000 -1.503) 2.790 2.790 ( -7.533 0.000 -2.665) 7.991 2.911 ( -7.383 0.000 3.133) 8.020 3.719 ( -2.736 0.000 2.734) 3.868 3.893 ( -0.716 0.000 -1.634) 1.784 4.342 ( 0.802 -0.000 4.552) 4.622 4.579 ( 0.578 -0.000 0.127) 0.592 4.635 ( -0.560 0.000 -7.722) 7.742 4.756 ( 3.727 -0.000 8.589) 9.363 4.835 ( 7.098 -0.000 -1.441) 7.242 5.564 ( 6.872 -0.000 -12.470) 14.238 5.662 ( -10.680 0.000 -0.511) 10.693 6.028 ( -2.610 0.000 -3.414) 4.298 6.252 ( -3.416 0.000 0.287) 3.428 6.460 ( -0.110 0.000 1.697) 1.700 6.794 ( -1.445 0.000 13.817) 13.893 6.805 ( 7.989 -0.000 2.336) 8.323 7.391 ( 1.853 -0.000 -7.631) 7.853 7.429 ( 15.155 -0.000 5.419) 16.095 7.818 ( 3.115 -0.000 8.146) 8.721 8.213 ( 3.036 -0.000 -5.407) 6.201 8.751 ( 1.248 -0.000 -14.148) 14.203 8.782 ( 22.937 -0.000 -7.218) 24.046 12.269 ( -2.335 0.000 8.922) 9.223 13.196 ( -0.347 0.000 -10.764) 10.770 14.024 ( 0.078 -0.000 11.946) 11.947 14.648 ( 0.436 -0.000 0.085) 0.444 15.903 ( 22.845 -0.000 7.163) 23.942 16.272 ( -19.754 0.000 4.286) 20.214 16.618 ( -14.845 0.000 -1.948) 14.972 17.141 ( 10.779 -0.000 -12.801) 16.735 17.413 ( 10.048 -0.000 5.171) 11.301 18.133 ( -3.233 0.000 2.739) 4.237 18.379 ( 16.535 -0.000 -1.853) 16.638 19.294 ( -17.313 0.000 -8.657) 19.357 20.230 ( -8.378 0.000 14.902) 17.096 21.242 ( 0.953 -0.000 -4.339) 4.442 22.137 ( -11.157 0.000 3.133) 11.589 22.803 ( 8.412 -0.000 -7.101) 11.008 46.906 ( 9.199 -0.000 3.596) 9.877 46.973 ( -11.106 0.000 0.762) 11.132 47.534 ( 9.069 -0.000 -0.044) 9.069 47.559 ( -6.226 0.000 -0.697) 6.265 98.798 ( -0.690 0.000 1.245) 1.424 98.815 ( -0.165 0.000 0.440) 0.470 99.062 ( -3.155 0.000 3.101) 4.424 99.170 ( -1.521 0.000 -1.610) 2.215 99.486 ( 7.761 -0.000 0.668) 7.790 99.556 ( 1.706 -0.000 3.028) 3.475 100.029 ( -1.149 0.000 0.784) 1.391 101.003 ( -5.021 0.000 -15.525) 16.316 ======================= Grid point 102 (40/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 17.668 3.217 0.447) 17.964 1.562 ( 17.223 -7.050 -0.929) 18.634 1.931 ( 1.384 -3.169 6.999) 7.807 2.061 ( 0.623 1.828 -2.234) 2.953 2.130 ( -0.584 0.393 -8.295) 8.325 2.222 ( 0.097 1.405 1.989) 2.437 2.427 ( -3.679 -0.828 1.916) 4.229 2.525 ( -0.578 4.788 0.186) 4.826 2.675 ( 5.104 -1.116 0.007) 5.224 2.723 ( 5.376 0.438 -0.430) 5.411 2.756 ( 3.530 -1.205 -0.168) 3.734 2.822 ( -4.599 -1.247 5.352) 7.166 3.676 ( -2.747 0.420 3.744) 4.663 3.902 ( -1.238 -2.921 -0.873) 3.291 4.372 ( 1.360 -1.904 5.588) 6.059 4.526 ( 0.109 4.703 -2.271) 5.224 4.696 ( 0.796 -5.250 -5.107) 7.367 4.779 ( 1.510 2.068 10.128) 10.447 4.924 ( 4.724 -0.504 -0.757) 4.811 5.433 ( -6.649 8.817 -1.493) 11.144 5.679 ( 2.336 -1.746 -11.882) 12.235 5.986 ( -3.377 0.218 -4.331) 5.496 6.189 ( -3.831 1.331 2.443) 4.734 6.456 ( 0.816 1.153 0.462) 1.487 6.762 ( 0.946 2.870 11.012) 11.419 6.871 ( 4.512 3.312 2.965) 6.334 7.361 ( 2.710 6.120 -8.110) 10.515 7.697 ( 10.548 -5.455 9.694) 15.330 7.857 ( 3.534 -2.583 7.573) 8.747 8.231 ( 1.373 2.331 -4.417) 5.180 8.726 ( -2.006 2.718 -14.061) 14.462 9.128 ( 26.338 1.145 -7.935) 27.531 12.238 ( -1.238 0.696 7.466) 7.600 13.214 ( -0.231 -2.723 -11.941) 12.250 14.050 ( 0.869 -2.372 11.988) 12.251 14.662 ( 1.969 0.367 -0.478) 2.059 15.957 ( -16.085 3.770 5.122) 17.297 16.248 ( 16.308 -4.316 6.975) 18.254 16.428 ( -15.537 -4.146 -2.860) 16.333 17.283 ( 7.618 -1.418 -8.962) 11.847 17.559 ( 10.123 -0.251 6.394) 11.975 18.055 ( -5.163 1.717 4.318) 6.947 18.669 ( 21.138 -2.362 -5.384) 21.941 19.051 ( -14.676 2.160 -6.602) 16.237 20.118 ( -6.277 1.003 11.108) 12.798 21.248 ( -0.975 -0.546 -7.474) 7.557 21.987 ( -12.446 -2.154 6.166) 14.056 22.925 ( 7.361 -1.401 -8.288) 11.173 46.815 ( -11.290 -0.043 1.671) 11.413 47.029 ( 7.924 0.028 -0.763) 7.961 47.486 ( -4.152 -0.227 1.744) 4.510 47.668 ( 9.367 -0.231 -0.828) 9.406 98.789 ( -0.436 0.080 1.022) 1.114 98.809 ( -0.497 0.069 0.441) 0.668 99.024 ( -2.664 -0.451 1.875) 3.289 99.148 ( -1.297 0.312 -1.920) 2.338 99.580 ( 2.645 0.735 3.481) 4.433 99.606 ( 8.592 -0.051 0.177) 8.594 99.990 ( -1.996 1.975 0.991) 2.978 100.901 ( -7.776 1.010 -11.716) 14.098 ======================= Grid point 103 (41/100) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 12.420 1.392 1.993) 12.656 1.851 ( 11.928 -2.243 0.797) 12.163 1.969 ( -0.271 -2.334 0.915) 2.522 2.051 ( -0.771 6.889 -0.212) 6.935 2.102 ( 3.589 0.405 1.604) 3.952 2.211 ( -0.001 -3.338 -5.451) 6.391 2.356 ( -5.831 2.946 1.323) 6.666 2.460 ( -1.277 0.927 -1.047) 1.894 2.647 ( -1.185 -0.028 -0.788) 1.424 2.749 ( -3.578 -1.806 3.692) 5.449 2.813 ( 4.138 0.136 -1.632) 4.450 2.942 ( 11.719 2.166 0.404) 11.924 3.638 ( -2.363 0.108 5.751) 6.219 3.944 ( -0.461 -4.940 0.122) 4.963 4.421 ( 1.252 -1.791 6.010) 6.395 4.472 ( 1.724 4.332 0.734) 4.719 4.742 ( 0.202 3.780 8.658) 9.450 4.787 ( 1.097 -4.999 -1.243) 5.266 4.969 ( 1.290 0.495 -1.667) 2.165 5.231 ( -6.377 6.169 -1.195) 8.952 5.701 ( 2.205 3.107 -12.641) 13.203 5.925 ( -4.050 1.351 -6.774) 8.007 6.123 ( -2.868 0.756 4.240) 5.175 6.448 ( 0.960 1.922 -0.593) 2.228 6.731 ( 2.829 5.603 6.953) 9.367 6.862 ( 1.555 3.003 5.019) 6.052 7.306 ( 2.584 6.812 -7.148) 10.206 7.768 ( 2.344 2.758 9.506) 10.171 8.050 ( 4.775 -9.982 7.647) 13.451 8.182 ( -0.342 5.623 -5.077) 7.584 8.633 ( -3.006 4.431 -11.573) 12.751 9.432 ( 23.677 6.205 -8.287) 25.841 12.217 ( -0.544 0.584 6.643) 6.690 13.261 ( 0.245 -3.737 -13.749) 14.250 14.109 ( 1.417 -3.544 12.566) 13.133 14.693 ( 3.630 0.794 -0.181) 3.720 15.671 ( -18.378 1.928 5.693) 19.336 16.311 ( -14.331 -8.793 -4.255) 17.344 16.526 ( 15.396 -2.348 7.027) 17.086 17.375 ( 3.729 0.089 -7.372) 8.262 17.677 ( 6.776 1.349 8.591) 11.025 17.966 ( -2.975 1.612 4.308) 5.477 18.804 ( -8.221 5.253 -5.838) 11.370 19.035 ( 19.140 -3.882 -6.818) 20.685 20.034 ( -4.492 0.149 8.510) 9.623 21.223 ( -4.528 -1.286 -11.503) 12.429 21.869 ( -10.383 -4.071 10.648) 15.419 23.052 ( 7.278 -2.614 -9.192) 12.012 46.668 ( -10.094 -0.482 2.467) 10.402 47.112 ( 3.455 -0.336 -5.751) 6.717 47.460 ( 0.263 -0.094 5.452) 5.460 47.790 ( 8.311 0.560 -1.306) 8.432 98.785 ( -0.073 0.004 0.595) 0.599 98.801 ( -0.496 -0.043 0.369) 0.620 99.004 ( -2.021 -1.384 1.165) 2.713 99.129 ( -0.752 0.227 -1.696) 1.869 99.585 ( 1.309 2.355 3.913) 4.751 99.732 ( 9.975 0.873 -0.947) 10.058 99.927 ( -2.145 2.608 1.520) 3.703 100.772 ( -9.580 0.096 -9.137) 13.239 ======================= Grid point 104 (42/100) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 6.287 6.914 3.538) 9.992 1.857 ( -1.560 9.727 3.818) 10.565 1.907 ( 0.412 3.617 -3.298) 4.912 2.091 ( 4.062 0.502 4.987) 6.452 2.140 ( 1.188 -3.114 -1.829) 3.802 2.251 ( -2.380 -0.947 -3.385) 4.245 2.332 ( 3.307 -3.815 -2.149) 5.487 2.418 ( -1.115 -0.382 -2.150) 2.452 2.666 ( 1.165 -1.014 1.269) 1.999 2.749 ( -2.721 -3.959 2.327) 5.338 2.808 ( 0.612 5.961 0.678) 6.031 3.026 ( 8.872 4.571 -2.113) 10.201 3.603 ( -2.361 -0.334 6.012) 6.467 4.028 ( 0.747 -5.928 -1.269) 6.108 4.412 ( 0.553 4.991 2.080) 5.435 4.479 ( 2.400 -0.482 8.525) 8.870 4.690 ( -0.170 3.176 6.810) 7.517 4.863 ( 1.314 -2.734 1.583) 3.421 4.935 ( -3.449 1.974 -2.538) 4.715 5.108 ( -3.905 0.156 -1.308) 4.121 5.653 ( 1.741 7.291 -10.418) 12.834 5.831 ( -4.596 3.445 -9.965) 11.502 6.099 ( -1.088 -1.331 4.166) 4.506 6.424 ( 0.212 2.660 -2.124) 3.410 6.679 ( 4.339 8.482 4.274) 10.442 6.840 ( -1.915 -0.083 8.264) 8.483 7.244 ( 2.473 6.462 -4.815) 8.430 7.750 ( 2.164 3.995 7.695) 8.936 8.040 ( -5.774 7.062 -9.380) 13.085 8.208 ( 0.174 -5.878 8.125) 10.030 8.551 ( 0.641 4.032 -7.402) 8.453 9.577 ( 16.377 13.162 -8.156) 22.538 12.207 ( -0.155 0.168 6.518) 6.522 13.325 ( 0.957 -4.009 -16.029) 16.551 14.186 ( 1.980 -4.027 13.999) 14.701 14.741 ( 5.437 1.264 0.643) 5.619 15.403 ( -16.658 1.429 6.471) 17.928 16.267 ( -11.822 -10.116 -5.976) 16.668 16.734 ( 10.784 -1.418 6.465) 12.653 17.379 ( 0.424 3.114 -5.858) 6.648 17.667 ( 0.280 6.641 6.472) 9.277 17.974 ( 2.361 -3.176 7.520) 8.498 18.607 ( -6.166 7.725 -5.580) 11.350 19.349 ( 17.244 -3.145 -8.246) 19.371 19.992 ( -2.837 -1.530 7.296) 7.976 21.175 ( -6.251 -3.447 -14.065) 15.773 21.824 ( -6.500 -6.092 14.086) 16.666 23.206 ( 7.774 -4.325 -10.485) 13.750 46.555 ( -7.524 -0.902 3.412) 8.311 47.142 ( -0.152 -1.290 -8.393) 8.493 47.486 ( 3.268 0.507 7.256) 7.974 47.877 ( 6.144 1.462 -1.639) 6.524 98.786 ( 0.035 -0.055 0.260) 0.268 98.798 ( -0.241 -0.229 0.189) 0.382 99.010 ( -1.087 -2.527 0.955) 2.911 99.123 ( -0.063 -0.229 -0.706) 0.745 99.549 ( 0.245 4.067 4.103) 5.782 99.826 ( 0.952 1.626 0.992) 2.129 99.886 ( 7.516 3.528 -1.136) 8.381 100.633 ( -11.400 -1.130 -7.797) 13.858 ======================= Grid point 105 (43/100) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 2.313 14.284 4.566) 15.173 1.630 ( -2.249 15.819 3.618) 16.382 1.932 ( 0.634 -1.916 -0.743) 2.150 2.099 ( -0.089 -0.796 3.833) 3.915 2.118 ( 0.533 5.313 -3.752) 6.526 2.299 ( -2.972 1.263 -4.079) 5.202 2.359 ( 1.210 -8.514 -3.100) 9.141 2.527 ( 4.715 -2.391 0.328) 5.297 2.596 ( -1.699 12.098 3.871) 12.816 2.713 ( -1.808 -1.859 1.990) 3.269 2.820 ( 0.604 -4.814 1.171) 4.991 3.074 ( 5.908 3.444 -2.608) 7.319 3.600 ( -0.932 -2.750 5.100) 5.869 4.118 ( 1.034 -4.960 -4.664) 6.886 4.309 ( -2.283 7.237 3.313) 8.280 4.524 ( 2.970 -0.654 9.066) 9.563 4.644 ( -0.613 2.495 5.032) 5.650 4.824 ( -3.450 4.934 -2.858) 6.664 4.904 ( -1.724 -1.841 1.452) 2.910 5.125 ( -0.663 -6.343 1.306) 6.509 5.546 ( 1.612 11.403 -6.551) 13.249 5.713 ( -4.022 3.580 -13.247) 14.299 6.123 ( 0.084 -2.374 2.710) 3.604 6.385 ( -0.254 2.193 -2.979) 3.707 6.614 ( 3.371 8.379 4.277) 9.993 6.811 ( -3.085 -1.163 10.678) 11.176 7.204 ( 2.393 3.733 -2.435) 5.059 7.698 ( 2.102 9.186 0.530) 9.438 7.838 ( -6.715 6.485 -2.746) 9.731 8.257 ( -1.911 -3.903 2.551) 5.039 8.525 ( 2.005 3.505 -4.361) 5.944 9.508 ( 7.350 19.352 -7.382) 21.978 12.208 ( 0.033 -0.504 6.965) 6.984 13.395 ( 1.100 -3.552 -18.637) 19.005 14.275 ( 2.199 -4.226 15.879) 16.579 14.803 ( 6.374 2.072 1.114) 6.794 15.177 ( -12.632 1.207 7.609) 14.796 16.256 ( -7.574 -6.898 -7.472) 12.680 16.866 ( 5.477 -1.297 5.352) 7.767 17.315 ( -0.533 5.168 -4.072) 6.601 17.543 ( -0.979 8.973 4.759) 10.205 18.072 ( 2.128 -4.793 8.207) 9.739 18.415 ( -3.305 9.823 -4.422) 11.268 19.581 ( 9.454 -3.318 -9.537) 13.832 20.000 ( -1.302 -3.608 7.442) 8.372 21.168 ( -3.341 -4.995 -14.263) 15.478 21.861 ( -3.164 -8.613 14.957) 17.548 23.377 ( 6.370 -5.192 -12.735) 15.157 46.490 ( -3.962 -1.378 4.601) 6.226 47.160 ( -0.449 -2.184 -8.731) 9.011 47.519 ( 2.489 0.887 7.003) 7.485 47.916 ( 3.225 2.190 -1.896) 4.335 98.788 ( 0.012 -0.158 0.100) 0.187 98.799 ( -0.106 -0.228 -0.014) 0.252 99.043 ( -0.239 -3.278 0.950) 3.421 99.135 ( 0.446 -1.100 1.089) 1.611 99.486 ( -0.201 4.564 4.772) 6.606 99.758 ( -2.568 3.399 1.876) 4.655 99.980 ( 10.299 4.365 -3.072) 11.600 100.496 ( -11.145 -2.308 -7.499) 13.630 ======================= Grid point 106 (44/100) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 17.036 6.878) 18.372 1.367 ( 0.000 18.253 5.363) 19.024 1.955 ( -0.000 -1.101 1.510) 1.869 2.008 ( 0.000 11.532 -0.287) 11.535 2.121 ( -0.000 -1.691 2.385) 2.924 2.259 ( 0.000 1.008 -5.272) 5.368 2.322 ( 0.000 16.317 4.087) 16.821 2.488 ( -0.000 -8.241 -3.295) 8.876 2.651 ( -0.000 -5.154 0.414) 5.171 2.727 ( -0.000 -1.135 1.467) 1.854 2.897 ( -0.000 -4.844 -0.847) 4.917 3.084 ( 0.000 0.839 -2.190) 2.345 3.649 ( -0.000 -4.462 5.055) 6.742 4.187 ( 0.000 5.628 4.059) 6.939 4.194 ( -0.000 -3.935 -7.393) 8.375 4.569 ( -0.000 -0.617 8.573) 8.596 4.610 ( 0.000 1.473 3.862) 4.133 4.705 ( 0.000 6.276 -3.439) 7.156 4.910 ( -0.000 -2.349 2.556) 3.472 5.225 ( -0.000 -7.189 0.284) 7.194 5.368 ( 0.000 14.538 -5.036) 15.386 5.654 ( -0.000 -0.049 -12.077) 12.077 6.153 ( -0.000 -1.360 1.294) 1.877 6.369 ( -0.000 -0.320 -1.984) 2.009 6.532 ( 0.000 6.079 4.430) 7.522 6.801 ( -0.000 -0.583 11.766) 11.780 7.200 ( -0.000 -0.179 -0.962) 0.979 7.520 ( 0.000 14.627 -8.525) 16.930 7.727 ( 0.000 4.776 8.177) 9.470 8.289 ( -0.000 -2.839 -0.629) 2.908 8.484 ( 0.000 4.479 -5.551) 7.133 9.258 ( 0.000 21.826 -6.206) 22.692 12.223 ( -0.000 -1.530 7.858) 8.005 13.446 ( -0.000 -2.291 -20.747) 20.873 14.352 ( -0.000 -3.322 16.453) 16.785 14.823 ( 0.000 2.901 1.122) 3.110 15.061 ( 0.000 0.616 8.983) 9.004 16.258 ( -0.000 -1.615 -8.520) 8.672 16.923 ( -0.000 -1.319 4.300) 4.498 17.231 ( 0.000 5.827 -2.827) 6.476 17.406 ( 0.000 8.949 4.689) 10.103 18.131 ( 0.000 0.644 0.754) 0.992 18.267 ( 0.000 5.309 3.249) 6.224 19.707 ( -0.000 -5.338 -10.652) 11.914 20.058 ( -0.000 -5.895 9.115) 10.855 21.207 ( -0.000 -2.939 -11.519) 11.888 21.983 ( -0.000 -11.534 12.181) 16.776 23.494 ( -0.000 -3.260 -16.106) 16.433 46.487 ( -0.000 -2.103 6.071) 6.425 47.192 ( -0.000 -2.555 -8.471) 8.848 47.524 ( 0.000 0.885 6.266) 6.328 47.904 ( 0.000 2.622 -2.108) 3.364 98.790 ( -0.000 -0.195 0.032) 0.198 98.802 ( -0.000 -0.192 -0.086) 0.211 99.089 ( -0.000 -3.199 0.968) 3.342 99.164 ( -0.000 -2.310 2.929) 3.730 99.423 ( 0.000 3.809 5.967) 7.079 99.682 ( 0.000 4.012 1.390) 4.246 99.992 ( 0.000 5.194 -3.040) 6.018 100.439 ( -0.000 -2.489 -8.092) 8.466 ======================= Grid point 111 (45/100) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 8.416 -0.000 -4.618) 9.600 1.701 ( 15.067 -0.000 2.353) 15.250 1.971 ( 7.380 -0.000 6.723) 9.983 2.102 ( -1.183 0.000 -9.895) 9.965 2.109 ( 3.382 -0.000 -2.401) 4.148 2.271 ( 2.136 -0.000 5.393) 5.800 2.332 ( -7.031 0.000 0.473) 7.047 2.514 ( -4.528 0.000 -0.775) 4.594 2.654 ( -3.242 0.000 -0.591) 3.295 2.723 ( -5.814 0.000 6.437) 8.675 2.794 ( 6.258 -0.000 -1.540) 6.444 2.971 ( 17.082 -0.000 -0.336) 17.086 3.640 ( -2.332 0.000 4.498) 5.067 3.866 ( -1.069 0.000 -0.463) 1.165 4.386 ( 2.437 -0.000 6.922) 7.338 4.567 ( -0.096 0.000 -0.591) 0.599 4.677 ( 3.213 -0.000 -5.094) 6.023 4.807 ( 0.116 -0.000 10.748) 10.748 4.988 ( 4.214 -0.000 -1.335) 4.420 5.370 ( -10.085 0.000 1.595) 10.210 5.717 ( 4.043 -0.000 -15.817) 16.325 5.939 ( -3.607 0.000 -4.141) 5.491 6.136 ( -4.500 0.000 3.921) 5.969 6.479 ( 1.223 -0.000 -1.104) 1.648 6.766 ( -0.605 0.000 12.468) 12.483 6.975 ( 4.440 -0.000 1.661) 4.740 7.424 ( 0.420 -0.000 -6.667) 6.680 7.826 ( 11.864 -0.000 10.577) 15.895 7.849 ( -0.528 0.000 5.914) 5.938 8.287 ( 2.465 -0.000 -4.601) 5.219 8.706 ( -3.509 0.000 -14.103) 14.533 9.518 ( 27.006 -0.000 -9.068) 28.488 12.228 ( -0.893 0.000 6.811) 6.869 13.196 ( 0.300 -0.000 -11.705) 11.708 14.050 ( 1.530 -0.000 11.782) 11.881 14.704 ( 3.724 -0.000 -0.786) 3.806 15.704 ( -19.975 0.000 5.006) 20.592 16.162 ( -16.656 0.000 -2.664) 16.867 16.485 ( 17.585 -0.000 7.267) 19.028 17.368 ( 5.476 -0.000 -6.716) 8.665 17.694 ( 8.940 -0.000 8.628) 12.424 18.000 ( -4.404 0.000 3.370) 5.545 18.888 ( -10.477 0.000 -5.754) 11.953 18.968 ( 23.478 -0.000 -6.598) 24.388 20.040 ( -5.563 0.000 8.322) 10.010 21.203 ( -5.536 0.000 -11.702) 12.945 21.810 ( -10.317 0.000 11.241) 15.258 23.008 ( 6.002 -0.000 -9.122) 10.920 46.662 ( -10.278 0.000 2.261) 10.524 47.106 ( 2.729 -0.000 -6.212) 6.785 47.459 ( 0.875 -0.000 6.055) 6.118 47.797 ( 8.905 -0.000 -1.152) 8.979 98.786 ( -0.142 0.000 0.823) 0.835 98.801 ( -0.670 0.000 0.342) 0.753 98.983 ( -2.588 0.000 1.542) 3.013 99.133 ( -1.072 0.000 -2.067) 2.328 99.620 ( 2.621 -0.000 4.218) 4.966 99.749 ( 11.024 -0.000 -0.805) 11.053 99.966 ( -3.124 0.000 0.734) 3.209 100.777 ( -10.516 0.000 -9.721) 14.321 ======================= Grid point 112 (46/100) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 4.056 0.154 -1.228) 4.241 1.913 ( 5.401 -5.449 -2.223) 7.987 2.022 ( 6.264 4.754 1.304) 7.971 2.131 ( 1.201 2.634 -2.575) 3.875 2.180 ( 3.807 1.555 2.190) 4.659 2.198 ( 1.500 -0.390 0.245) 1.569 2.302 ( -2.547 -0.031 2.099) 3.301 2.451 ( -3.009 1.161 -2.179) 3.892 2.615 ( -2.170 -1.269 1.326) 2.842 2.663 ( -4.516 -1.683 5.499) 7.312 2.877 ( 4.546 -0.140 -1.617) 4.827 3.149 ( 10.607 2.884 -4.992) 12.073 3.617 ( -0.718 0.673 6.731) 6.802 3.876 ( -0.474 -3.300 -0.031) 3.334 4.430 ( 2.608 -0.851 8.611) 9.037 4.553 ( 1.981 2.880 0.410) 3.519 4.752 ( 2.725 -3.227 -0.146) 4.226 4.785 ( -0.352 2.205 9.040) 9.312 5.021 ( 2.369 2.399 -3.003) 4.515 5.206 ( -8.029 4.009 0.694) 9.001 5.759 ( 2.287 0.781 -15.801) 15.984 5.885 ( -3.435 0.756 -5.317) 6.375 6.079 ( -3.511 -0.229 4.985) 6.102 6.486 ( 1.075 1.346 -2.148) 2.753 6.760 ( -0.336 0.002 11.762) 11.766 6.988 ( 3.146 5.342 1.658) 6.417 7.399 ( 0.331 3.469 -5.207) 6.266 7.821 ( 0.145 1.737 5.401) 5.675 8.005 ( 5.698 -4.899 8.141) 11.079 8.271 ( -0.123 4.950 -6.589) 8.242 8.647 ( -1.766 2.183 -9.596) 9.998 9.830 ( 21.090 4.457 -9.713) 23.643 12.216 ( -0.466 0.290 6.325) 6.349 13.219 ( 0.409 -2.500 -12.688) 12.938 14.088 ( 1.491 -2.166 12.206) 12.486 14.766 ( 5.697 0.464 -0.502) 5.738 15.436 ( -17.458 0.760 5.416) 18.295 15.995 ( -13.585 -6.530 -3.165) 15.401 16.699 ( 12.000 -0.805 7.415) 14.129 17.423 ( 2.382 0.292 -5.965) 6.430 17.787 ( 5.322 1.825 11.166) 12.504 17.945 ( -2.122 0.426 3.089) 3.772 18.760 ( -5.412 2.781 -5.949) 8.510 19.296 ( 21.577 -0.839 -7.906) 22.995 19.973 ( -3.956 -0.153 6.196) 7.353 21.095 ( -10.725 -1.614 -14.599) 18.187 21.713 ( -5.524 -1.864 15.106) 16.192 23.097 ( 4.599 -2.437 -9.714) 11.020 46.538 ( -7.681 -0.298 2.795) 8.179 47.115 ( -1.184 -0.519 -9.077) 9.169 47.497 ( 3.983 0.226 8.091) 9.022 47.903 ( 6.687 0.454 -1.414) 6.850 98.786 ( 0.116 0.024 0.407) 0.424 98.793 ( -0.490 -0.117 0.225) 0.552 98.957 ( -2.023 -1.006 1.341) 2.627 99.121 ( -0.607 -0.006 -1.709) 1.814 99.641 ( 2.053 1.926 4.136) 5.003 99.884 ( 5.126 2.302 -0.308) 5.628 99.933 ( 4.008 -0.351 -0.549) 4.060 100.620 ( -11.911 -0.015 -7.735) 14.202 ======================= Grid point 113 (47/100) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 2.092 -0.836 0.298) 2.273 1.934 ( -0.177 2.698 -2.652) 3.787 2.016 ( -0.600 10.393 0.777) 10.439 2.090 ( -1.136 -0.221 -1.062) 1.571 2.162 ( 5.304 -0.570 3.653) 6.466 2.272 ( 1.249 2.041 -0.708) 2.496 2.323 ( 0.738 -0.589 -2.039) 2.246 2.401 ( 0.331 -1.833 0.733) 2.002 2.633 ( -1.614 -2.684 3.283) 4.537 2.656 ( -1.404 -4.552 2.216) 5.254 2.901 ( 1.679 3.607 -1.225) 4.163 3.198 ( 5.246 4.577 -5.538) 8.896 3.587 ( -0.844 1.795 7.150) 7.420 3.945 ( 0.217 -5.975 -1.515) 6.168 4.474 ( 2.280 -0.242 8.569) 8.871 4.527 ( 0.749 4.426 3.533) 5.713 4.736 ( -0.213 3.412 7.822) 8.537 4.839 ( 2.064 -3.635 3.032) 5.164 4.978 ( 0.112 5.560 -3.761) 6.713 5.068 ( -4.304 2.500 -0.498) 5.002 5.754 ( 1.562 3.479 -13.836) 14.352 5.817 ( -3.128 2.662 -7.989) 8.983 6.057 ( -1.490 -1.707 5.085) 5.567 6.468 ( 0.381 2.717 -3.138) 4.168 6.756 ( -0.086 -0.032 11.252) 11.252 6.918 ( 1.515 8.803 2.358) 9.239 7.345 ( 0.511 4.827 -2.960) 5.685 7.807 ( 0.717 1.072 4.203) 4.396 8.083 ( 0.400 4.133 -8.112) 9.113 8.169 ( -2.105 1.831 3.776) 4.695 8.611 ( 0.967 2.514 -3.981) 4.806 9.947 ( 10.832 10.780 -9.719) 18.110 12.208 ( -0.149 0.260 6.229) 6.236 13.274 ( 0.424 -4.192 -14.540) 15.138 14.149 ( 1.051 -3.879 13.445) 14.033 14.848 ( 7.339 1.055 -0.296) 7.420 15.208 ( -13.468 0.893 6.498) 14.980 15.974 ( -7.618 -10.840 -4.404) 13.962 16.834 ( 5.771 -0.851 7.142) 9.222 17.424 ( 0.353 2.098 -5.412) 5.815 17.765 ( 0.433 6.091 6.798) 9.137 17.959 ( 1.299 -2.562 8.702) 9.164 18.648 ( -2.259 5.884 -6.266) 8.887 19.550 ( 13.313 0.441 -9.067) 16.113 19.940 ( -1.949 -1.001 5.274) 5.711 20.999 ( -8.465 -5.432 -15.090) 18.135 21.699 ( -2.231 -3.258 16.573) 17.037 23.208 ( 3.223 -5.455 -10.525) 12.285 46.462 ( -4.084 -0.651 3.370) 5.335 47.108 ( -1.207 -1.321 -9.430) 9.598 47.542 ( 2.800 0.621 7.929) 8.432 47.964 ( 3.513 1.139 -1.617) 4.031 98.785 ( -0.099 -0.021 0.084) 0.131 98.793 ( 0.023 -0.202 0.055) 0.211 98.959 ( -0.971 -2.288 1.332) 2.820 99.117 ( -0.129 -0.289 -0.885) 0.940 99.617 ( 0.743 4.169 4.048) 5.859 99.842 ( -1.523 2.437 1.553) 3.267 100.074 ( 12.563 1.608 -3.332) 13.096 100.451 ( -12.861 -0.619 -6.331) 14.348 ======================= Grid point 114 (48/100) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 7.787 2.384) 8.144 1.832 ( 0.000 14.158 2.357) 14.353 1.915 ( -0.000 -0.663 -2.381) 2.471 2.076 ( -0.000 -0.924 2.104) 2.298 2.215 ( 0.000 6.292 -3.978) 7.444 2.262 ( -0.000 -4.749 -1.929) 5.126 2.293 ( -0.000 -0.459 -0.677) 0.817 2.492 ( -0.000 -5.673 2.347) 6.139 2.657 ( -0.000 -3.013 1.962) 3.596 2.712 ( -0.000 -1.646 0.864) 1.859 2.817 ( 0.000 7.649 1.902) 7.882 3.174 ( 0.000 4.293 -4.110) 5.943 3.567 ( -0.000 -0.500 5.788) 5.810 4.037 ( -0.000 -6.572 -4.186) 7.792 4.417 ( 0.000 8.796 2.516) 9.148 4.522 ( -0.000 -2.025 11.239) 11.420 4.684 ( 0.000 3.542 6.135) 7.084 4.886 ( 0.000 6.816 -4.975) 8.438 4.890 ( -0.000 -0.763 3.522) 3.604 5.042 ( -0.000 -3.591 1.924) 4.074 5.703 ( 0.000 7.915 -5.808) 9.817 5.731 ( 0.000 3.406 -15.643) 16.009 6.082 ( -0.000 -2.906 4.068) 4.999 6.425 ( 0.000 3.327 -3.674) 4.956 6.766 ( -0.000 -1.166 11.430) 11.489 6.785 ( 0.000 10.661 3.187) 11.127 7.280 ( 0.000 4.842 -1.319) 5.019 7.803 ( 0.000 1.110 4.565) 4.698 7.919 ( 0.000 13.047 -12.859) 18.319 8.194 ( -0.000 -3.429 5.313) 6.323 8.584 ( 0.000 2.808 -2.492) 3.754 9.824 ( 0.000 16.521 -8.872) 18.752 12.205 ( -0.000 -0.003 6.494) 6.494 13.342 ( -0.000 -4.622 -16.845) 17.467 14.221 ( -0.000 -4.915 15.069) 15.850 14.901 ( 0.000 2.116 -1.580) 2.641 15.079 ( 0.000 0.608 9.198) 9.218 16.077 ( -0.000 -10.519 -6.009) 12.114 16.886 ( -0.000 -1.059 6.270) 6.359 17.380 ( 0.000 4.126 -4.542) 6.136 17.661 ( 0.000 8.262 4.741) 9.526 18.021 ( -0.000 -4.282 10.084) 10.955 18.527 ( 0.000 8.656 -5.754) 10.394 19.634 ( 0.000 0.217 -9.549) 9.552 19.949 ( -0.000 -2.207 5.711) 6.123 21.039 ( -0.000 -7.820 -15.698) 17.538 21.742 ( -0.000 -5.287 17.317) 18.106 23.326 ( -0.000 -7.096 -11.708) 13.690 46.445 ( -0.000 -1.013 3.997) 4.124 47.124 ( -0.000 -2.037 -9.232) 9.454 47.551 ( 0.000 0.888 7.483) 7.535 47.967 ( 0.000 1.763 -1.777) 2.503 98.786 ( -0.000 -0.122 0.021) 0.124 98.796 ( -0.000 -0.182 -0.065) 0.193 98.993 ( -0.000 -3.223 1.259) 3.460 99.124 ( -0.000 -0.721 0.205) 0.750 99.554 ( 0.000 4.984 4.542) 6.743 99.790 ( 0.000 3.298 1.515) 3.629 100.152 ( 0.000 5.567 -3.702) 6.685 100.349 ( -0.000 -3.589 -6.398) 7.336 ======================= Grid point 121 (49/100) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.502 -0.000 -1.015) 1.132 1.930 ( 1.462 -0.000 -5.499) 5.690 2.149 ( -1.842 0.000 0.524) 1.915 2.157 ( 4.637 -0.000 -0.674) 4.686 2.194 ( 4.135 -0.000 4.386) 6.027 2.243 ( 0.915 -0.000 0.527) 1.056 2.321 ( 3.500 -0.000 2.860) 4.520 2.417 ( -2.488 0.000 -3.170) 4.030 2.566 ( -2.391 0.000 2.910) 3.767 2.592 ( -3.362 0.000 4.763) 5.830 2.925 ( 2.448 -0.000 -1.652) 2.953 3.271 ( 3.935 -0.000 -8.667) 9.518 3.641 ( 2.050 -0.000 8.254) 8.505 3.844 ( -0.429 0.000 0.789) 0.898 4.457 ( 1.831 -0.000 11.369) 11.516 4.603 ( 2.122 -0.000 0.344) 2.149 4.768 ( 2.286 -0.000 2.466) 3.362 4.794 ( -0.498 0.000 8.773) 8.787 5.074 ( 1.842 -0.000 -6.161) 6.430 5.130 ( -6.014 0.000 0.807) 6.068 5.789 ( 1.251 -0.000 -16.854) 16.900 5.854 ( -1.932 0.000 -4.934) 5.299 6.035 ( -2.198 0.000 5.226) 5.669 6.510 ( 0.709 -0.000 -3.051) 3.132 6.756 ( -0.190 0.000 12.063) 12.065 7.059 ( 1.588 -0.000 1.693) 2.321 7.421 ( -0.319 0.000 -3.973) 3.986 7.821 ( -0.858 0.000 2.526) 2.667 8.060 ( 5.467 -0.000 10.509) 11.846 8.286 ( -2.936 0.000 -12.564) 12.903 8.651 ( 0.130 -0.000 -4.571) 4.572 10.101 ( 12.218 -0.000 -10.606) 16.179 12.213 ( -0.243 0.000 6.068) 6.073 13.206 ( 0.262 -0.000 -12.432) 12.435 14.089 ( 0.917 -0.000 12.115) 12.149 14.863 ( 7.555 -0.000 -1.015) 7.623 15.222 ( -13.841 0.000 5.916) 15.052 15.792 ( -8.059 0.000 -2.567) 8.459 16.821 ( 6.177 -0.000 7.863) 9.999 17.446 ( 0.733 -0.000 -5.296) 5.347 17.863 ( 3.062 -0.000 14.744) 15.059 17.921 ( -1.286 0.000 0.918) 1.581 18.733 ( -1.769 0.000 -6.673) 6.903 19.563 ( 15.807 -0.000 -9.062) 18.221 19.928 ( -2.230 0.000 4.587) 5.101 20.916 ( -11.128 0.000 -14.051) 17.924 21.655 ( -1.707 0.000 15.772) 15.864 23.123 ( 2.144 -0.000 -9.887) 10.117 46.453 ( -4.122 0.000 3.017) 5.108 47.089 ( -1.417 0.000 -9.662) 9.765 47.551 ( 2.913 -0.000 8.235) 8.735 47.980 ( 3.655 -0.000 -1.504) 3.952 98.786 ( -0.333 0.000 0.069) 0.340 98.789 ( 0.263 -0.000 0.129) 0.293 98.925 ( -1.301 0.000 1.459) 1.955 99.114 ( -0.309 0.000 -1.486) 1.518 99.684 ( 1.634 -0.000 3.594) 3.947 99.882 ( -2.212 0.000 1.403) 2.619 100.084 ( 12.790 -0.000 -3.155) 13.173 100.449 ( -12.699 0.000 -6.072) 14.076 ======================= Grid point 122 (50/100) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -0.000 -2.036 -0.577) 2.117 1.942 ( -0.000 -0.420 -5.435) 5.451 2.105 ( 0.000 2.676 0.324) 2.696 2.148 ( 0.000 7.209 0.449) 7.223 2.207 ( 0.000 0.987 3.502) 3.638 2.276 ( -0.000 -2.353 1.360) 2.718 2.367 ( -0.000 -2.046 3.303) 3.885 2.368 ( 0.000 3.616 -3.887) 5.309 2.578 ( -0.000 -2.946 3.515) 4.586 2.584 ( -0.000 -3.108 3.045) 4.350 2.941 ( 0.000 0.467 -1.801) 1.860 3.280 ( 0.000 2.200 -8.339) 8.624 3.628 ( 0.000 3.500 8.252) 8.964 3.873 ( -0.000 -4.111 0.159) 4.114 4.477 ( -0.000 -0.913 12.230) 12.264 4.597 ( 0.000 3.308 0.537) 3.352 4.775 ( 0.000 2.068 8.121) 8.380 4.805 ( -0.000 -2.855 4.501) 5.330 5.058 ( 0.000 3.974 -7.021) 8.068 5.067 ( 0.000 2.308 0.361) 2.336 5.792 ( 0.000 0.844 -16.784) 16.805 5.829 ( 0.000 1.684 -5.343) 5.602 6.025 ( -0.000 -0.881 5.340) 5.412 6.503 ( 0.000 1.623 -3.405) 3.772 6.754 ( 0.000 0.068 11.926) 11.926 7.033 ( 0.000 5.155 1.904) 5.496 7.400 ( 0.000 2.584 -3.028) 3.981 7.815 ( 0.000 0.071 2.214) 2.216 8.116 ( -0.000 -1.630 11.858) 11.969 8.211 ( 0.000 6.192 -16.605) 17.722 8.645 ( 0.000 1.291 -2.213) 2.562 10.146 ( 0.000 5.804 -10.642) 12.122 12.210 ( 0.000 0.187 6.034) 6.037 13.227 ( -0.000 -2.614 -13.120) 13.378 14.112 ( -0.000 -2.239 12.594) 12.792 14.940 ( 0.000 0.666 -3.480) 3.543 15.094 ( 0.000 0.352 8.862) 8.869 15.786 ( -0.000 -7.051 -3.026) 7.673 16.866 ( -0.000 -0.343 7.807) 7.815 17.446 ( 0.000 0.724 -5.197) 5.247 17.844 ( 0.000 4.388 8.551) 9.611 17.935 ( -0.000 -2.084 7.637) 7.916 18.699 ( 0.000 3.156 -6.867) 7.558 19.672 ( 0.000 1.359 -9.647) 9.742 19.915 ( -0.000 -0.445 4.248) 4.271 20.856 ( -0.000 -3.835 -13.706) 14.233 21.654 ( -0.000 -1.388 15.978) 16.038 23.163 ( -0.000 -3.416 -10.152) 10.712 46.426 ( -0.000 -0.336 3.210) 3.227 47.084 ( -0.000 -0.731 -9.647) 9.674 47.569 ( 0.000 0.358 8.050) 8.058 48.001 ( 0.000 0.605 -1.572) 1.684 98.783 ( -0.000 -0.037 0.016) 0.040 98.792 ( -0.000 -0.074 -0.039) 0.083 98.925 ( -0.000 -1.310 1.505) 1.996 99.113 ( -0.000 -0.168 -1.167) 1.179 99.676 ( 0.000 2.823 3.420) 4.435 99.857 ( 0.000 1.259 1.705) 2.120 100.258 ( -0.000 -2.209 -4.931) 5.403 100.274 ( 0.000 2.467 -4.333) 4.986 ======================= Grid point 162 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.000 0.000 21.750) 21.750 1.082 ( 0.000 0.000 23.743) 23.743 1.611 ( 0.000 0.000 17.045) 17.045 1.942 ( 0.000 0.000 4.518) 4.518 1.964 ( 0.000 0.000 -16.030) 16.030 2.104 ( 0.000 0.000 5.838) 5.838 2.196 ( 0.000 0.000 1.118) 1.118 2.681 ( 0.000 0.000 -3.045) 3.045 2.716 ( 0.000 0.000 -4.100) 4.100 2.766 ( 0.000 0.000 5.455) 5.455 2.869 ( 0.000 0.000 -14.808) 14.808 3.060 ( 0.000 0.000 -7.595) 7.595 3.907 ( 0.000 0.000 3.284) 3.284 3.923 ( 0.000 0.000 0.989) 0.989 4.206 ( 0.000 0.000 -1.058) 1.058 4.224 ( 0.000 0.000 -1.893) 1.893 4.619 ( 0.000 0.000 11.576) 11.576 4.693 ( 0.000 0.000 4.795) 4.795 4.873 ( 0.000 0.000 -3.024) 3.024 5.062 ( 0.000 0.000 -8.946) 8.946 5.992 ( 0.000 0.000 0.667) 0.667 6.116 ( 0.000 0.000 -3.551) 3.551 6.238 ( 0.000 0.000 4.336) 4.336 6.418 ( 0.000 0.000 -3.233) 3.233 6.593 ( 0.000 0.000 5.021) 5.021 6.818 ( 0.000 0.000 -4.394) 4.394 6.991 ( 0.000 0.000 3.611) 3.611 7.203 ( 0.000 0.000 -5.314) 5.314 7.510 ( 0.000 0.000 6.410) 6.410 7.671 ( 0.000 0.000 1.355) 1.355 8.241 ( 0.000 0.000 0.706) 0.706 8.463 ( 0.000 0.000 -7.124) 7.124 12.700 ( 0.000 0.000 5.235) 5.235 13.017 ( 0.000 0.000 -9.350) 9.350 14.382 ( 0.000 0.000 13.225) 13.225 14.835 ( 0.000 0.000 -7.061) 7.061 15.252 ( 0.000 0.000 12.528) 12.528 15.886 ( 0.000 0.000 -14.876) 14.876 16.974 ( 0.000 0.000 2.638) 2.638 17.033 ( 0.000 0.000 -0.402) 0.402 17.284 ( 0.000 0.000 8.158) 8.158 17.658 ( 0.000 0.000 -7.858) 7.858 18.654 ( 0.000 0.000 17.015) 17.015 19.578 ( 0.000 0.000 -22.047) 22.047 21.098 ( 0.000 0.000 1.607) 1.607 21.167 ( 0.000 0.000 -1.302) 1.302 22.473 ( 0.000 0.000 1.158) 1.158 22.494 ( 0.000 0.000 0.262) 0.262 46.974 ( 0.000 0.000 2.154) 2.154 47.098 ( 0.000 0.000 -3.454) 3.454 47.517 ( 0.000 0.000 5.054) 5.054 47.724 ( 0.000 0.000 -4.012) 4.012 98.800 ( 0.000 0.000 0.104) 0.104 98.805 ( 0.000 0.000 -0.112) 0.112 99.217 ( 0.000 0.000 -0.103) 0.103 99.234 ( 0.000 0.000 -0.809) 0.809 99.589 ( 0.000 0.000 3.016) 3.016 99.760 ( 0.000 0.000 -4.208) 4.208 100.022 ( 0.000 0.000 0.282) 0.282 100.035 ( 0.000 0.000 -0.277) 0.277 ======================= Grid point 163 (52/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -3.350 -4.723 20.904) 21.691 1.097 ( 0.470 -6.921 20.722) 21.852 1.719 ( 6.801 -3.280 2.922) 8.097 1.954 ( -1.479 -1.665 -13.477) 13.660 2.009 ( 4.391 -5.491 10.935) 13.000 2.121 ( 3.352 0.622 6.760) 7.571 2.220 ( 2.912 -0.380 1.255) 3.193 2.635 ( -3.921 1.608 -0.977) 4.349 2.689 ( -2.988 0.990 -3.371) 4.612 2.768 ( -0.372 -0.048 2.523) 2.551 2.872 ( 0.296 0.523 -11.186) 11.202 3.036 ( -2.513 0.856 -7.483) 7.940 3.889 ( -2.215 -0.327 3.546) 4.194 3.944 ( -2.179 -4.928 -0.908) 5.464 4.245 ( 7.258 1.400 0.963) 7.455 4.348 ( 7.944 -5.652 -4.015) 10.544 4.598 ( -1.830 -0.607 8.228) 8.450 4.720 ( 3.316 1.021 6.358) 7.243 4.821 ( -7.637 -3.084 -2.570) 8.628 5.075 ( 3.867 3.265 -8.551) 9.936 5.861 ( -1.070 13.008 0.588) 13.065 5.971 ( -0.662 12.482 -3.368) 12.946 6.249 ( 2.008 2.234 3.599) 4.688 6.415 ( 1.979 2.666 -3.251) 4.647 6.602 ( 1.879 1.238 6.678) 7.047 6.895 ( 3.856 -1.356 -6.082) 7.328 7.043 ( 3.055 -2.182 6.140) 7.197 7.207 ( 5.028 -2.099 0.375) 5.461 7.691 ( 6.087 -7.534 5.012) 10.906 7.804 ( 4.717 -14.498 -5.492) 16.205 8.260 ( 1.042 -2.517 -0.366) 2.749 8.481 ( -0.651 -3.438 -7.804) 8.553 12.627 ( -2.798 5.445 8.410) 10.402 13.028 ( -1.197 -1.822 -11.590) 11.793 14.408 ( -2.781 -5.499 11.889) 13.391 14.791 ( -5.651 -0.492 -4.275) 7.103 15.336 ( 10.594 -1.099 12.890) 16.721 16.007 ( 13.800 -1.364 -16.904) 21.864 16.951 ( -4.914 -1.004 2.714) 5.703 17.019 ( -3.252 -1.793 -0.919) 3.825 17.311 ( 1.881 -2.269 8.506) 9.002 17.710 ( 3.817 -3.607 -8.491) 9.984 18.627 ( -2.441 1.431 16.792) 17.029 19.516 ( -6.256 2.378 -20.790) 21.841 20.910 ( -5.047 15.481 9.506) 18.855 21.151 ( -0.181 1.986 -3.237) 3.802 22.460 ( -1.745 1.694 1.923) 3.101 22.612 ( -3.006 -15.848 -6.415) 17.360 46.900 ( -0.883 6.073 5.918) 8.525 47.108 ( 0.158 0.105 -4.850) 4.853 47.522 ( -2.250 -2.502 4.589) 5.691 47.716 ( -2.471 -1.303 -3.845) 4.753 98.804 ( 0.561 0.129 0.173) 0.601 98.810 ( 0.643 0.138 -0.078) 0.662 99.204 ( -0.638 1.065 0.106) 1.246 99.235 ( -0.165 0.205 -1.094) 1.126 99.566 ( -6.186 1.377 4.319) 7.669 99.638 ( -7.198 -2.960 2.800) 8.271 99.966 ( 6.082 7.282 2.615) 9.842 100.266 ( 13.785 -3.552 -11.795) 18.487 ======================= Grid point 164 (53/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -0.955 -11.073 16.003) 19.484 1.270 ( 5.718 -10.179 13.668) 17.976 1.806 ( 1.868 -2.028 -9.198) 9.602 1.995 ( 0.490 -4.631 -13.064) 13.869 2.126 ( 3.349 -0.349 7.067) 7.828 2.211 ( 4.428 -0.821 8.190) 9.346 2.320 ( 9.350 -5.396 10.130) 14.804 2.545 ( -4.868 1.878 0.502) 5.242 2.611 ( -4.222 2.910 -2.648) 5.771 2.748 ( -2.137 0.325 -0.282) 2.180 2.847 ( -2.666 0.856 -4.893) 5.637 2.974 ( -3.102 2.041 -5.804) 6.890 3.862 ( -1.697 0.260 5.134) 5.414 3.996 ( -1.465 -5.819 -2.168) 6.381 4.334 ( 6.646 -0.029 2.642) 7.152 4.507 ( 3.447 -1.779 -3.303) 5.095 4.622 ( 2.313 -4.883 4.287) 6.898 4.758 ( 4.024 1.581 6.543) 7.842 4.807 ( -4.401 -8.009 -3.607) 9.825 5.078 ( 4.540 3.675 -8.204) 10.071 5.664 ( -0.915 12.943 -0.274) 12.978 5.819 ( 4.532 12.858 -5.651) 14.758 6.235 ( 1.263 2.839 3.431) 4.629 6.387 ( 1.389 4.411 -2.810) 5.411 6.607 ( 1.795 1.527 8.297) 8.625 6.909 ( -0.242 0.730 -4.666) 4.729 7.107 ( 2.015 -0.992 7.988) 8.298 7.421 ( 13.947 -6.952 -0.432) 15.590 7.841 ( 4.563 -3.004 6.786) 8.712 8.030 ( 1.128 -9.048 -9.380) 13.082 8.363 ( 5.268 -4.933 -1.362) 7.344 8.554 ( -2.170 -9.583 -8.072) 12.716 12.516 ( -2.432 4.304 10.938) 12.003 13.025 ( -1.844 -0.885 -13.964) 14.113 14.438 ( -4.512 -5.467 10.500) 12.669 14.720 ( -5.309 -0.662 -1.473) 5.549 15.553 ( 17.029 -1.325 13.248) 21.616 16.236 ( 15.963 -0.011 -16.522) 22.974 16.860 ( -10.301 -1.408 3.981) 11.133 17.012 ( -4.345 -5.089 -3.840) 7.715 17.407 ( 4.967 -4.542 9.312) 11.490 17.861 ( 7.524 -6.134 -9.949) 13.901 18.548 ( -4.402 2.639 15.930) 16.737 19.348 ( -10.809 4.170 -17.866) 21.294 20.643 ( -3.342 12.445 14.805) 19.628 21.114 ( 0.254 3.040 -7.409) 8.013 22.398 ( -2.202 2.653 4.886) 5.980 22.747 ( -6.799 -11.943 -11.420) 17.868 46.834 ( 2.848 4.572 7.445) 9.189 47.093 ( -0.389 1.644 -5.192) 5.460 47.521 ( -2.822 -2.509 4.032) 5.524 47.692 ( -4.519 -2.161 -3.454) 6.084 98.809 ( 0.562 0.379 0.338) 0.757 98.815 ( 0.558 0.310 0.100) 0.646 99.169 ( -1.425 1.888 0.459) 2.409 99.205 ( -2.490 1.487 -0.514) 2.945 99.477 ( -2.844 -0.823 6.150) 6.826 99.635 ( -3.065 -3.218 -0.052) 4.445 99.963 ( 5.563 4.335 5.713) 9.077 100.458 ( 10.552 0.280 -15.757) 18.966 ======================= Grid point 165 (54/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 3.949 -12.301 11.668) 17.409 1.513 ( 7.256 -10.283 6.560) 14.192 1.884 ( 2.991 -5.306 -7.367) 9.559 2.052 ( 0.006 -0.222 -3.243) 3.250 2.173 ( 2.918 -1.348 -2.172) 3.880 2.203 ( -2.257 1.961 5.796) 6.522 2.443 ( -4.920 4.344 0.617) 6.593 2.477 ( 1.060 3.743 -2.191) 4.465 2.562 ( 4.459 -2.858 5.829) 7.876 2.709 ( -3.204 -0.577 -1.275) 3.497 2.790 ( -3.891 -0.986 -0.953) 4.126 2.905 ( -1.694 2.618 -2.673) 4.107 3.846 ( 0.317 0.205 7.644) 7.654 4.063 ( 0.064 -4.609 -1.370) 4.809 4.416 ( 3.192 -1.358 4.169) 5.423 4.560 ( 1.928 -3.534 3.739) 5.494 4.744 ( 3.461 -2.404 2.567) 4.934 4.777 ( 1.231 -2.027 2.511) 3.454 4.900 ( 0.660 -5.837 -4.276) 7.266 5.104 ( 2.263 -0.004 -6.924) 7.285 5.472 ( -1.027 11.406 -1.935) 11.615 5.704 ( 4.102 12.309 -9.435) 16.042 6.205 ( 0.276 2.584 3.134) 4.072 6.345 ( 1.000 3.360 -2.719) 4.436 6.607 ( 0.851 1.120 9.223) 9.329 6.896 ( -0.675 0.007 -4.636) 4.685 7.134 ( 1.067 -0.245 10.386) 10.443 7.720 ( 15.314 -4.654 -1.452) 16.072 7.902 ( 2.445 0.340 1.416) 2.846 8.121 ( -1.909 -5.399 -8.215) 10.014 8.498 ( 6.033 -2.269 0.580) 6.471 8.668 ( -4.170 -11.316 -6.647) 13.771 12.443 ( -1.399 2.312 11.328) 11.646 13.009 ( -1.475 -0.305 -15.254) 15.328 14.441 ( -3.772 -3.331 9.902) 11.107 14.667 ( -3.408 -0.394 -0.730) 3.507 15.812 ( 17.655 -0.158 12.644) 21.716 16.418 ( 11.191 1.419 -12.898) 17.135 16.722 ( -12.680 -2.175 6.813) 14.558 17.045 ( -2.809 -6.164 -8.548) 10.907 17.567 ( 6.936 -5.811 10.281) 13.696 18.056 ( 6.907 -4.704 -9.027) 12.301 18.455 ( -2.443 1.488 11.853) 12.193 19.112 ( -13.105 5.323 -14.571) 20.308 20.471 ( -1.524 7.235 15.827) 17.469 21.079 ( 0.710 2.667 -11.094) 11.432 22.335 ( -1.614 2.212 7.080) 7.591 22.774 ( -6.497 -5.811 -12.073) 14.891 46.845 ( 5.782 2.784 5.691) 8.577 47.054 ( -2.178 1.306 -3.811) 4.580 47.522 ( -0.902 -1.352 2.915) 3.338 47.654 ( -5.375 -2.228 -2.823) 6.467 98.807 ( 0.148 0.483 0.601) 0.785 98.817 ( 0.328 0.300 0.222) 0.497 99.116 ( -1.924 1.862 0.753) 2.781 99.146 ( -2.227 1.439 -0.426) 2.685 99.493 ( 1.166 -1.876 3.394) 4.049 99.625 ( -2.936 -1.248 -1.560) 3.551 99.993 ( 4.344 1.521 8.810) 9.940 100.561 ( 5.960 0.896 -15.333) 16.475 ======================= Grid point 166 (55/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.227 -7.601 10.784) 13.854 1.723 ( 4.607 -5.619 0.490) 7.283 1.984 ( -1.910 4.782 5.374) 7.443 2.040 ( 4.788 -7.911 -2.383) 9.549 2.112 ( -3.274 2.339 5.185) 6.563 2.253 ( -3.783 1.441 -3.695) 5.481 2.284 ( -1.896 0.413 -6.311) 6.602 2.424 ( 3.034 6.655 -7.240) 10.291 2.594 ( -2.418 -0.661 4.879) 5.485 2.698 ( -0.655 -1.075 -0.937) 1.569 2.800 ( 0.053 -2.322 0.718) 2.431 2.858 ( -0.311 1.855 -1.643) 2.497 3.859 ( 0.829 -0.210 9.104) 9.144 4.115 ( 0.385 -1.744 -0.616) 1.889 4.473 ( 1.210 -2.059 9.394) 9.693 4.632 ( 1.603 -1.725 9.103) 9.403 4.765 ( 0.033 1.339 3.992) 4.210 4.848 ( 1.376 -2.874 2.166) 3.853 4.982 ( 1.127 -5.175 -7.382) 9.086 5.092 ( -2.077 3.278 -5.625) 6.834 5.359 ( 0.600 3.117 -4.892) 5.832 5.598 ( 1.587 6.775 -14.858) 16.407 6.179 ( -0.067 1.009 3.108) 3.269 6.323 ( 0.474 1.165 -2.924) 3.183 6.601 ( 0.096 0.465 9.763) 9.775 6.890 ( -0.311 -0.085 -5.115) 5.125 7.147 ( 0.450 -0.075 11.649) 11.658 7.884 ( 1.521 -0.186 9.623) 9.744 7.977 ( 9.425 -0.146 -17.041) 19.475 8.132 ( -4.676 -2.781 -3.908) 6.699 8.584 ( 3.429 -0.132 1.991) 3.967 8.734 ( -3.072 -5.080 -5.638) 8.187 12.409 ( -0.447 0.710 11.217) 11.248 12.997 ( -0.553 -0.070 -15.803) 15.813 14.435 ( -1.412 -1.088 9.533) 9.698 14.638 ( -1.196 -0.102 -0.681) 1.380 16.009 ( 9.401 0.521 10.915) 14.415 16.501 ( 3.407 1.060 -9.969) 10.588 16.600 ( -7.233 -1.714 9.963) 12.431 17.090 ( -0.675 -2.737 -11.847) 12.177 17.733 ( 4.921 -3.943 11.372) 13.004 18.100 ( -1.877 1.581 2.447) 3.466 18.525 ( 7.723 -4.292 -3.539) 9.518 18.855 ( -11.387 5.163 -11.135) 16.743 20.391 ( -0.417 2.375 15.994) 16.175 21.060 ( 0.404 1.049 -13.003) 13.052 22.298 ( -0.556 0.844 7.964) 8.027 22.758 ( -2.658 -1.611 -11.756) 12.160 46.899 ( 5.138 1.267 3.087) 6.126 47.000 ( -3.565 0.131 -1.277) 3.789 47.535 ( 1.024 -0.103 1.384) 1.724 47.614 ( -3.403 -1.210 -1.973) 4.115 98.802 ( -0.016 0.208 0.759) 0.787 98.817 ( 0.096 0.134 0.274) 0.320 99.077 ( -0.848 0.705 0.501) 1.211 99.110 ( -0.772 0.606 -0.960) 1.373 99.541 ( 1.973 -1.356 1.333) 2.740 99.593 ( -2.311 0.298 -0.990) 2.532 100.025 ( 1.616 0.235 10.100) 10.232 100.606 ( 1.904 0.369 -14.483) 14.612 ======================= Grid point 172 (56/100) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -1.525 0.000 21.080) 21.136 1.106 ( 6.535 -0.000 17.112) 18.317 1.795 ( 4.918 -0.000 -5.988) 7.749 1.900 ( -3.505 0.000 -16.674) 17.038 2.070 ( 8.857 -0.000 15.253) 17.638 2.203 ( 8.691 -0.000 11.840) 14.687 2.276 ( 5.506 -0.000 0.736) 5.555 2.558 ( -7.154 0.000 3.447) 7.941 2.652 ( -3.832 0.000 -3.825) 5.415 2.760 ( -0.984 0.000 -0.013) 0.984 2.870 ( -2.218 0.000 -7.718) 8.030 3.005 ( -2.508 0.000 -7.789) 8.182 3.848 ( -2.723 0.000 2.368) 3.609 3.879 ( -1.641 0.000 -0.542) 1.728 4.368 ( 6.209 -0.000 1.335) 6.351 4.458 ( 12.932 -0.000 -3.771) 13.470 4.571 ( -0.733 0.000 4.269) 4.331 4.669 ( -8.998 0.000 -1.745) 9.165 4.792 ( 4.950 -0.000 8.248) 9.619 5.165 ( 4.884 -0.000 -9.170) 10.389 5.884 ( -6.673 0.000 -0.215) 6.676 6.007 ( -3.243 0.000 -4.103) 5.230 6.301 ( 1.167 -0.000 2.016) 2.329 6.463 ( 1.832 -0.000 -3.618) 4.056 6.693 ( 7.415 -0.000 8.772) 11.486 6.976 ( 2.740 -0.000 -2.537) 3.734 7.135 ( 13.216 -0.000 6.971) 14.941 7.236 ( 1.843 -0.000 -2.996) 3.518 7.775 ( 14.652 -0.000 -3.842) 15.147 7.804 ( 8.219 -0.000 3.361) 8.879 8.263 ( 3.022 -0.000 -3.464) 4.597 8.450 ( -0.988 0.000 -9.722) 9.772 12.609 ( -5.022 0.000 8.760) 10.098 12.994 ( -1.438 0.000 -9.961) 10.064 14.331 ( -2.505 0.000 12.620) 12.867 14.705 ( -5.375 0.000 -3.286) 6.300 15.530 ( 17.951 -0.000 12.863) 22.084 16.241 ( 19.165 -0.000 -19.694) 27.480 16.839 ( -10.297 0.000 2.820) 10.676 16.917 ( -8.704 0.000 -1.114) 8.775 17.345 ( 5.473 -0.000 8.775) 10.342 17.766 ( 8.140 -0.000 -8.989) 12.127 18.589 ( -4.380 0.000 15.936) 16.527 19.412 ( -10.888 0.000 -18.820) 21.743 20.900 ( -11.547 0.000 10.594) 15.670 21.157 ( -0.854 0.000 -3.186) 3.299 22.405 ( -4.720 0.000 1.851) 5.070 22.508 ( 2.024 -0.000 -3.009) 3.627 46.926 ( -0.668 0.000 6.208) 6.243 47.113 ( -0.105 0.000 -3.601) 3.602 47.470 ( -1.925 0.000 4.681) 5.061 47.660 ( -4.193 0.000 -3.695) 5.589 98.815 ( 0.768 -0.000 0.335) 0.837 98.821 ( 0.611 -0.000 0.133) 0.625 99.197 ( -1.493 0.000 -0.172) 1.503 99.226 ( -1.995 0.000 -0.862) 2.173 99.479 ( -5.091 0.000 6.968) 8.630 99.574 ( -0.162 0.000 1.543) 1.552 100.061 ( 1.928 -0.000 2.726) 3.338 100.454 ( 13.133 -0.000 -17.820) 22.137 ======================= Grid point 173 (57/100) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 7.852 -5.782 13.303) 16.494 1.264 ( 10.015 -5.637 11.541) 16.287 1.818 ( 1.004 0.672 -11.127) 11.193 1.915 ( -0.642 -5.482 -13.152) 14.263 2.167 ( 3.534 -0.365 9.008) 9.683 2.311 ( 4.622 3.718 6.581) 8.860 2.404 ( 9.369 -3.394 8.094) 12.837 2.487 ( -0.127 -0.474 6.689) 6.707 2.587 ( -3.676 0.970 -2.779) 4.709 2.734 ( -1.672 1.058 -1.446) 2.450 2.801 ( -6.025 0.999 -4.471) 7.569 2.967 ( -1.616 1.451 -4.437) 4.941 3.820 ( -2.382 -1.237 3.058) 4.068 3.897 ( -1.044 -4.676 -1.486) 5.017 4.421 ( 3.899 1.041 3.233) 5.171 4.519 ( -2.576 1.789 0.644) 3.202 4.646 ( 1.143 -5.109 -1.751) 5.521 4.651 ( 5.760 -3.853 -3.615) 7.816 4.857 ( 6.062 1.361 7.587) 9.806 5.204 ( 4.750 3.706 -9.757) 11.467 5.744 ( -5.962 5.866 0.943) 8.417 5.947 ( -1.629 3.326 -5.862) 6.934 6.295 ( 0.604 2.222 3.308) 4.030 6.462 ( 0.624 2.649 -2.230) 3.518 6.742 ( 7.540 7.096 8.041) 13.110 6.983 ( 0.680 1.937 -0.661) 2.157 7.155 ( 3.813 6.610 4.022) 8.626 7.494 ( 15.774 -11.403 4.443) 19.964 7.912 ( 6.883 0.524 6.634) 9.574 7.985 ( 6.511 -3.371 -7.794) 10.701 8.389 ( 10.322 -5.080 -7.525) 13.747 8.448 ( -1.759 -2.490 -11.193) 11.600 12.522 ( -3.788 2.470 10.538) 11.468 12.982 ( -1.718 -1.171 -11.617) 11.802 14.326 ( -2.127 -3.244 11.674) 12.302 14.650 ( -3.132 -0.540 -2.519) 4.056 15.809 ( 21.071 -0.036 12.884) 24.698 16.466 ( 11.713 1.949 -13.631) 18.077 16.675 ( -12.436 0.028 1.992) 12.594 16.834 ( -7.707 -7.407 -5.591) 12.063 17.458 ( 8.682 -1.803 9.702) 13.143 17.928 ( 11.332 -2.973 -10.017) 15.414 18.511 ( -4.940 1.396 14.341) 15.232 19.226 ( -13.211 2.261 -15.866) 20.769 20.688 ( -9.688 6.081 14.983) 18.850 21.132 ( -1.503 0.976 -6.330) 6.579 22.345 ( -6.335 -1.640 3.234) 7.299 22.583 ( 2.090 -4.763 -7.324) 8.983 46.923 ( 3.010 2.048 5.783) 6.834 47.081 ( -4.142 0.515 -2.077) 4.662 47.479 ( 1.674 -1.328 2.506) 3.294 47.604 ( -4.684 -0.979 -2.787) 5.538 98.821 ( 0.289 0.357 0.534) 0.705 98.825 ( 0.184 0.156 0.431) 0.494 99.163 ( -2.669 1.122 0.132) 2.899 99.176 ( -3.600 0.478 0.192) 3.637 99.466 ( 2.334 -0.159 4.773) 5.316 99.590 ( 0.717 -0.967 0.732) 1.409 100.064 ( 1.707 2.388 5.034) 5.828 100.581 ( 5.702 0.369 -18.545) 19.406 ======================= Grid point 174 (58/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 12.391 -7.507 8.767) 16.933 1.516 ( 11.665 -7.477 5.099) 14.764 1.863 ( 3.086 -3.738 -9.397) 10.574 1.993 ( -0.573 -5.725 -9.324) 10.956 2.165 ( -3.174 1.101 7.100) 7.855 2.249 ( -0.883 5.808 4.609) 7.467 2.468 ( -1.259 5.438 1.129) 5.695 2.512 ( 2.458 -2.378 2.177) 4.054 2.622 ( 2.658 1.825 0.382) 3.247 2.669 ( -2.251 0.663 -2.451) 3.393 2.746 ( 1.014 -0.969 1.441) 2.011 2.921 ( -1.026 2.047 -0.793) 2.423 3.819 ( -1.466 -2.270 5.809) 6.406 3.967 ( -1.028 -6.715 -1.034) 6.872 4.440 ( 0.999 0.930 1.655) 2.145 4.533 ( 2.364 -4.051 5.419) 7.167 4.701 ( -1.898 -6.038 -2.718) 6.888 4.785 ( 5.765 -0.857 -2.428) 6.314 4.919 ( 4.904 1.217 5.105) 7.183 5.194 ( 2.974 5.502 -8.245) 10.349 5.572 ( -4.404 7.784 0.435) 8.954 5.860 ( -1.505 6.230 -8.037) 10.280 6.256 ( -0.226 3.377 4.047) 5.276 6.418 ( 0.375 3.988 -1.991) 4.473 6.725 ( 6.128 8.316 7.992) 13.060 6.958 ( 2.250 3.646 -2.214) 4.823 7.128 ( 0.347 1.277 7.473) 7.590 7.856 ( 14.280 -6.484 2.533) 15.886 7.944 ( 0.747 1.092 -2.299) 2.652 8.079 ( 4.432 -0.871 -0.147) 4.519 8.463 ( -3.389 -4.519 -7.953) 9.755 8.639 ( 14.907 -3.382 -8.504) 17.492 12.450 ( -2.053 1.908 11.024) 11.375 12.977 ( -1.356 -1.179 -13.584) 13.702 14.354 ( -1.161 -3.712 10.688) 11.374 14.630 ( -0.964 -0.476 -2.053) 2.318 16.056 ( 13.417 2.701 11.321) 17.762 16.478 ( -6.837 -4.811 3.717) 9.149 16.533 ( -7.083 0.438 -3.690) 7.999 16.945 ( 5.612 -6.745 -13.418) 16.032 17.625 ( 10.080 -2.818 10.961) 15.156 18.107 ( 5.843 -1.483 -6.191) 8.641 18.459 ( 2.393 -0.106 6.959) 7.360 18.995 ( -13.197 3.964 -12.702) 18.741 20.496 ( -6.991 4.364 16.053) 18.045 21.090 ( -2.598 0.899 -10.344) 10.704 22.281 ( -6.028 -1.863 6.241) 8.875 22.671 ( 1.946 -3.635 -10.506) 11.286 46.943 ( 2.070 1.690 2.868) 3.920 47.001 ( -5.362 -0.137 0.056) 5.364 47.532 ( 2.479 -0.080 0.489) 2.528 47.572 ( -0.621 -1.529 -1.325) 2.117 98.813 ( -0.307 0.475 0.811) 0.989 98.823 ( -0.103 0.229 0.418) 0.488 99.102 ( -3.011 0.933 1.056) 3.324 99.131 ( -2.098 0.618 -0.928) 2.376 99.522 ( 4.823 -0.039 2.282) 5.336 99.608 ( 1.011 0.439 0.183) 1.117 100.052 ( 0.732 1.566 7.555) 7.750 100.616 ( 0.557 0.297 -16.427) 16.439 ======================= Grid point 175 (59/100) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 10.372 -5.189 8.224) 14.217 1.751 ( 8.423 -3.082 0.001) 8.969 2.000 ( 3.439 -5.663 -3.417) 7.454 2.014 ( -1.397 1.240 0.539) 1.944 2.106 ( -0.001 -0.574 3.990) 4.031 2.177 ( -2.372 -0.878 -2.389) 3.479 2.325 ( -3.686 8.405 -0.688) 9.204 2.494 ( -7.050 4.258 -4.661) 9.464 2.589 ( 4.903 -0.480 2.468) 5.510 2.713 ( 3.469 -0.210 -1.575) 3.815 2.793 ( 2.154 -0.428 1.422) 2.616 2.892 ( 0.840 2.165 -0.102) 2.325 3.830 ( -2.067 -2.084 7.710) 8.249 4.044 ( -1.711 -6.023 -0.803) 6.313 4.463 ( 1.575 -1.283 6.297) 6.617 4.621 ( 1.665 -2.682 9.659) 10.161 4.789 ( 1.064 -5.812 -2.283) 6.335 4.830 ( 2.764 1.160 0.778) 3.097 4.945 ( 1.030 0.684 0.970) 1.572 5.126 ( -1.114 5.299 -4.979) 7.356 5.426 ( -1.657 6.132 -5.179) 8.196 5.727 ( -2.097 8.829 -11.149) 14.375 6.208 ( -0.219 2.595 3.833) 4.633 6.367 ( 0.105 3.534 -2.931) 4.592 6.687 ( 4.737 7.084 9.332) 12.638 6.950 ( 3.510 3.212 -3.499) 5.906 7.120 ( -1.375 -0.689 8.597) 8.734 7.910 ( -1.452 0.861 -1.617) 2.338 7.975 ( -3.182 0.856 -7.101) 7.828 8.206 ( 11.911 1.298 0.676) 12.001 8.475 ( -4.984 -5.700 1.376) 7.696 8.866 ( 16.155 2.760 -9.280) 18.834 12.411 ( -0.804 0.761 11.048) 11.103 12.981 ( -0.484 -1.145 -15.048) 15.099 14.399 ( 0.725 -3.128 10.065) 10.565 14.637 ( 1.325 -0.232 -1.470) 1.992 16.025 ( -10.293 1.617 9.483) 14.089 16.440 ( -9.693 -3.285 -8.305) 13.180 16.573 ( 9.718 -3.358 10.792) 14.906 17.098 ( 6.505 -1.740 -12.185) 13.922 17.783 ( 6.746 -0.579 11.653) 13.478 18.095 ( -2.319 1.620 3.880) 4.801 18.599 ( 7.879 -0.920 -6.751) 10.417 18.787 ( -4.934 1.864 -9.609) 10.961 20.373 ( -5.328 0.924 15.629) 16.538 21.038 ( -4.108 -0.404 -13.281) 13.907 22.241 ( -4.430 -2.867 9.462) 10.834 22.749 ( 4.154 -1.873 -12.444) 13.252 46.873 ( -7.869 -0.547 2.991) 8.436 46.996 ( 1.505 -0.104 -2.095) 2.582 47.537 ( 0.409 0.012 2.263) 2.300 47.637 ( 6.275 0.422 -2.004) 6.601 98.803 ( -0.343 0.233 0.793) 0.895 98.817 ( -0.372 0.108 0.325) 0.506 99.064 ( -1.475 -0.177 0.789) 1.683 99.104 ( -0.856 0.093 -1.249) 1.517 99.586 ( 3.986 1.291 0.916) 4.288 99.608 ( 2.567 1.550 -0.059) 2.999 100.034 ( -1.359 0.730 9.080) 9.210 100.597 ( -3.203 -0.282 -14.519) 14.871 ======================= Grid point 176 (60/100) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 2.237 7.354 8.926) 11.780 1.774 ( -0.988 6.573 0.213) 6.650 1.944 ( -0.469 -1.829 5.221) 5.552 2.090 ( -4.474 7.629 -1.333) 8.944 2.140 ( 5.431 -2.139 4.678) 7.480 2.234 ( 1.013 -8.449 -6.560) 10.744 2.286 ( 6.120 -5.156 -1.826) 8.208 2.332 ( -6.151 4.555 -7.313) 10.586 2.652 ( 3.797 1.271 3.309) 5.194 2.748 ( 2.763 1.733 -0.492) 3.298 2.831 ( 1.651 -1.943 -0.290) 2.566 2.867 ( 1.515 3.378 -0.429) 3.727 3.815 ( -3.409 -1.576 8.361) 9.166 4.078 ( -2.707 -3.260 -2.371) 4.856 4.475 ( -1.309 1.254 8.393) 8.587 4.637 ( -0.511 1.652 8.041) 8.225 4.793 ( 1.324 3.401 5.179) 6.336 4.877 ( 0.274 2.283 3.643) 4.308 4.974 ( -1.677 -4.948 -3.121) 6.085 5.066 ( 1.332 -0.880 -4.864) 5.119 5.349 ( -0.943 2.845 -7.176) 7.776 5.570 ( -3.277 6.639 -14.174) 15.991 6.183 ( 0.224 0.862 3.166) 3.289 6.326 ( -0.324 1.799 -3.196) 3.681 6.662 ( 3.908 5.061 9.981) 11.853 6.962 ( 4.873 3.392 -4.922) 7.712 7.104 ( -2.925 -1.314 9.789) 10.301 7.826 ( -11.534 2.151 -14.209) 18.427 7.898 ( -0.060 1.643 7.231) 7.416 8.265 ( 3.056 4.629 -9.230) 10.768 8.501 ( -0.336 -2.325 10.766) 11.019 8.985 ( 13.182 9.722 -9.774) 19.074 12.404 ( 0.066 -0.470 11.187) 11.197 12.997 ( 0.455 -1.109 -16.024) 16.069 14.462 ( 3.079 -1.937 9.873) 10.521 14.673 ( 3.535 0.036 -0.698) 3.604 15.818 ( -16.205 0.300 11.307) 19.762 16.346 ( -11.869 -4.243 -11.260) 16.901 16.756 ( 12.001 -0.046 9.374) 15.228 17.164 ( 3.836 2.359 -8.875) 9.953 17.755 ( -3.069 6.553 10.015) 12.355 18.108 ( 2.060 -1.076 1.848) 2.970 18.504 ( -4.923 4.911 -0.447) 6.968 18.955 ( 13.957 -5.158 -12.740) 19.589 20.324 ( -3.942 -3.093 14.931) 15.749 20.997 ( -4.803 -2.771 -14.395) 15.427 22.243 ( -2.199 -3.948 11.899) 12.728 22.845 ( 7.033 -0.560 -14.334) 15.976 46.780 ( -7.579 -1.785 4.988) 9.247 47.014 ( -0.441 -1.403 -5.421) 5.617 47.555 ( 3.003 1.001 4.254) 5.302 47.712 ( 6.541 1.729 -2.841) 7.338 98.798 ( -0.248 -0.113 0.603) 0.662 98.811 ( -0.461 -0.123 0.173) 0.508 99.067 ( 0.071 -1.538 0.811) 1.740 99.109 ( 0.704 -1.013 -0.947) 1.555 99.569 ( 0.949 3.306 2.597) 4.310 99.664 ( 6.318 1.588 -2.170) 6.867 99.987 ( -4.119 0.691 9.428) 10.311 100.536 ( -6.602 -0.800 -13.610) 15.148 ======================= Grid point 177 (61/100) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 1.203 13.298 9.735) 16.524 1.597 ( -3.585 11.705 7.314) 14.261 1.932 ( -2.380 6.688 -6.134) 9.382 2.005 ( -0.527 -4.347 2.441) 5.013 2.172 ( -4.472 4.471 -8.014) 10.209 2.195 ( -0.721 -1.543 2.310) 2.870 2.392 ( 2.956 -7.984 -1.762) 8.694 2.474 ( 6.754 -3.222 -0.326) 7.490 2.599 ( -1.708 7.431 6.697) 10.148 2.763 ( 2.312 0.791 0.619) 2.521 2.847 ( 0.826 0.179 -1.240) 1.501 2.910 ( 4.867 -1.219 -2.823) 5.757 3.804 ( -2.027 -2.899 7.607) 8.389 4.073 ( -1.902 -1.115 -4.001) 4.568 4.392 ( -4.729 3.619 6.254) 8.636 4.589 ( -0.478 3.377 1.529) 3.737 4.745 ( -1.119 2.994 5.852) 6.669 4.799 ( -2.518 4.996 4.097) 6.935 4.964 ( 0.221 2.329 -3.208) 3.970 5.153 ( 2.257 2.154 -4.953) 5.854 5.307 ( -3.218 -4.719 -2.917) 6.414 5.507 ( -3.720 -5.315 -10.763) 12.567 6.186 ( 0.258 -0.498 2.485) 2.548 6.314 ( -0.012 -0.566 -2.930) 2.984 6.644 ( 2.477 3.957 9.932) 10.974 6.982 ( 5.848 4.502 -4.719) 8.760 7.085 ( -2.989 -2.344 8.833) 9.615 7.587 ( -13.968 5.516 -7.763) 16.905 7.885 ( -0.506 0.515 4.113) 4.176 8.212 ( -0.564 3.900 -10.030) 10.776 8.491 ( 0.124 4.187 9.218) 10.125 8.949 ( 7.654 15.461 -9.574) 19.730 12.426 ( 0.653 -1.935 11.455) 11.636 13.023 ( 1.050 -0.944 -16.485) 16.546 14.533 ( 5.010 0.204 9.727) 10.943 14.730 ( 4.934 0.245 -0.022) 4.940 15.586 ( -15.614 0.823 13.114) 20.407 16.222 ( -12.559 -1.976 -13.888) 18.829 16.897 ( 9.227 0.948 6.492) 11.322 17.151 ( 1.804 4.347 -5.387) 7.153 17.593 ( -3.865 7.979 8.982) 12.621 18.057 ( -4.172 6.163 -9.251) 11.873 18.473 ( 3.041 -1.579 14.067) 14.479 19.209 ( 11.551 -4.925 -15.890) 20.253 20.354 ( -2.348 -7.470 14.617) 16.582 20.993 ( -3.586 -5.091 -13.632) 14.987 22.289 ( -0.284 -4.703 12.740) 13.583 22.947 ( 8.294 1.855 -16.603) 18.652 46.723 ( -5.347 -3.106 6.936) 9.292 47.030 ( -1.080 -2.523 -7.115) 7.626 47.583 ( 3.746 1.866 4.918) 6.458 47.764 ( 5.154 2.551 -3.333) 6.647 98.798 ( -0.306 -0.309 0.370) 0.571 98.807 ( -0.479 -0.253 0.017) 0.542 99.104 ( 0.838 -2.474 1.090) 2.830 99.151 ( 1.921 -2.083 -0.449) 2.869 99.539 ( 2.141 3.346 5.070) 6.441 99.726 ( 7.101 2.987 -3.345) 8.398 99.903 ( -6.677 0.191 8.633) 10.915 100.436 ( -9.613 -0.998 -13.479) 16.586 ======================= Grid point 178 (62/100) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 1.078 13.101 11.970) 17.778 1.385 ( -0.976 12.165 14.246) 18.759 1.832 ( -1.193 4.825 -8.162) 9.556 2.020 ( -1.415 0.748 -7.886) 8.047 2.080 ( -2.279 0.074 0.957) 2.473 2.203 ( -0.498 -0.312 1.549) 1.657 2.342 ( -5.156 13.381 15.054) 20.791 2.524 ( 1.739 -5.812 -1.175) 6.179 2.639 ( 4.310 -2.733 -2.695) 5.771 2.777 ( 1.036 0.511 1.904) 2.227 2.863 ( 0.806 -0.107 -4.356) 4.431 2.991 ( 3.182 -1.854 -5.499) 6.618 3.844 ( 0.152 -3.922 6.263) 7.392 4.065 ( 0.498 0.935 -4.950) 5.062 4.271 ( -4.819 3.169 5.049) 7.665 4.519 ( -1.918 5.305 -5.037) 7.563 4.669 ( -1.281 4.445 6.329) 7.840 4.719 ( -1.195 1.991 6.008) 6.441 4.956 ( 3.009 1.427 -4.208) 5.367 5.044 ( -0.811 8.374 -8.123) 11.695 5.401 ( -6.333 -14.142 2.791) 15.745 5.591 ( -1.378 -11.000 -4.975) 12.151 6.199 ( -0.101 -1.227 2.494) 2.781 6.337 ( 0.214 -2.000 -2.985) 3.600 6.617 ( 0.820 2.787 9.425) 9.863 6.995 ( 5.058 4.063 -0.339) 6.497 7.086 ( -0.252 0.440 1.909) 1.975 7.318 ( -12.318 4.724 -3.995) 13.785 7.852 ( -1.156 3.016 6.487) 7.247 8.148 ( 0.218 5.810 -10.011) 11.576 8.392 ( -1.596 7.234 5.085) 8.985 8.781 ( 2.612 16.931 -9.015) 19.358 12.478 ( 0.838 -3.889 11.487) 12.156 13.048 ( 0.981 -0.506 -16.222) 16.260 14.576 ( 4.430 3.830 9.170) 10.880 14.797 ( 4.567 -0.088 -0.318) 4.578 15.381 ( -10.460 1.661 13.991) 17.547 16.063 ( -9.977 1.605 -15.130) 18.194 16.983 ( 4.962 0.899 3.782) 6.303 17.107 ( 0.887 4.084 -2.478) 4.858 17.444 ( -1.906 6.952 8.631) 11.245 17.889 ( -3.406 8.244 -10.023) 13.417 18.556 ( 2.611 -3.108 17.134) 17.609 19.404 ( 6.407 -4.768 -18.726) 20.358 20.474 ( -0.623 -12.350 14.841) 19.317 21.039 ( -1.321 -5.769 -10.888) 12.393 22.360 ( 0.556 -4.812 11.003) 12.022 22.993 ( 6.126 7.021 -18.631) 20.832 46.727 ( -2.220 -5.009 8.312) 9.955 47.058 ( -0.427 -2.930 -7.477) 8.041 47.598 ( 2.485 2.377 4.637) 5.773 47.780 ( 2.782 2.857 -3.600) 5.372 98.797 ( -0.347 -0.270 0.179) 0.475 98.804 ( -0.395 -0.222 -0.097) 0.464 99.151 ( 0.598 -2.516 1.090) 2.806 99.207 ( 1.334 -1.947 -0.849) 2.508 99.558 ( 6.147 1.188 7.887) 10.070 99.743 ( 0.623 4.137 3.252) 5.299 99.830 ( -2.920 -1.144 1.111) 3.327 100.307 ( -9.781 -0.363 -13.085) 16.341 ======================= Grid point 179 (63/100) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.000 9.841 16.392) 19.119 1.233 ( 0.000 9.672 19.169) 21.471 1.744 ( 0.000 5.854 -2.066) 6.208 1.988 ( 0.000 1.649 -13.909) 14.007 2.083 ( -0.000 -1.443 5.315) 5.508 2.100 ( 0.000 12.174 16.432) 20.451 2.205 ( 0.000 0.122 0.980) 0.988 2.610 ( -0.000 -4.526 -2.276) 5.066 2.701 ( -0.000 -1.491 -3.968) 4.238 2.776 ( 0.000 0.622 4.118) 4.164 2.867 ( 0.000 0.046 -9.294) 9.295 3.039 ( -0.000 -1.522 -6.973) 7.137 3.893 ( -0.000 -2.117 5.125) 5.545 4.039 ( 0.000 4.488 -4.108) 6.084 4.195 ( 0.000 1.743 3.541) 3.947 4.395 ( 0.000 8.067 -5.039) 9.511 4.619 ( 0.000 1.419 8.038) 8.163 4.694 ( 0.000 0.543 5.535) 5.561 4.937 ( 0.000 5.453 -4.808) 7.270 5.000 ( -0.000 -2.722 -8.573) 8.995 5.580 ( -0.000 -19.811 5.601) 20.588 5.764 ( -0.000 -14.164 -3.222) 14.526 6.217 ( -0.000 -1.370 3.129) 3.416 6.367 ( -0.000 -2.200 -3.034) 3.748 6.595 ( 0.000 1.010 7.838) 7.903 6.980 ( 0.000 9.272 -8.146) 12.342 7.028 ( -0.000 -0.010 7.658) 7.658 7.194 ( 0.000 1.402 -0.758) 1.594 7.765 ( 0.000 7.333 8.182) 10.987 8.007 ( 0.000 14.515 -9.429) 17.308 8.295 ( 0.000 3.944 1.341) 4.166 8.587 ( 0.000 11.302 -8.086) 13.897 12.557 ( -0.000 -6.014 10.482) 12.085 13.056 ( 0.000 0.610 -14.758) 14.770 14.529 ( 0.000 7.055 9.682) 11.980 14.839 ( -0.000 -0.183 -2.836) 2.842 15.280 ( 0.000 1.685 13.607) 13.711 15.944 ( 0.000 3.370 -14.891) 15.267 17.003 ( 0.000 1.277 2.533) 2.836 17.066 ( 0.000 2.558 -0.877) 2.704 17.349 ( 0.000 4.696 8.445) 9.662 17.757 ( 0.000 6.605 -8.865) 11.055 18.615 ( -0.000 -2.523 17.267) 17.450 19.513 ( -0.000 -4.107 -20.753) 21.155 20.685 ( -0.000 -17.448 13.830) 22.264 21.105 ( -0.000 -4.380 -6.656) 7.968 22.429 ( -0.000 -3.882 6.603) 7.659 22.884 ( 0.000 14.919 -16.925) 22.562 46.801 ( -0.000 -7.178 7.921) 10.690 47.094 ( -0.000 -2.058 -6.802) 7.107 47.579 ( 0.000 2.807 4.176) 5.032 47.761 ( 0.000 2.473 -3.741) 4.484 98.798 ( -0.000 -0.173 0.112) 0.206 98.804 ( -0.000 -0.127 -0.134) 0.185 99.187 ( -0.000 -1.919 0.632) 2.020 99.232 ( -0.000 -0.574 -1.173) 1.306 99.629 ( 0.000 2.677 2.948) 3.982 99.725 ( -0.000 -7.706 13.378) 15.439 99.799 ( 0.000 2.702 -4.255) 5.040 100.215 ( 0.000 2.170 -11.036) 11.248 ======================= Grid point 182 (64/100) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 15.994 -0.000 6.140) 17.132 1.390 ( 13.625 -0.000 8.748) 16.192 1.832 ( -0.915 0.000 -15.275) 15.302 1.874 ( 2.576 -0.000 -7.299) 7.740 2.185 ( -1.580 0.000 8.449) 8.595 2.367 ( -0.093 0.000 7.561) 7.561 2.441 ( 1.874 -0.000 -1.319) 2.292 2.553 ( 0.186 -0.000 -1.317) 1.330 2.611 ( 10.231 -0.000 8.211) 13.119 2.713 ( -7.104 0.000 -4.205) 8.255 2.733 ( 1.930 -0.000 1.563) 2.483 2.954 ( -2.094 0.000 -0.050) 2.094 3.778 ( -2.189 0.000 2.272) 3.155 3.852 ( -0.450 0.000 -1.975) 2.026 4.465 ( 2.564 -0.000 6.013) 6.536 4.508 ( -1.806 0.000 -3.253) 3.721 4.568 ( -0.876 0.000 -0.459) 0.989 4.767 ( 8.535 -0.000 -4.298) 9.556 4.951 ( 5.710 -0.000 7.940) 9.780 5.295 ( 4.298 -0.000 -11.519) 12.295 5.690 ( -7.105 0.000 3.635) 7.981 5.933 ( -2.792 0.000 -5.329) 6.016 6.307 ( -0.844 0.000 4.194) 4.278 6.479 ( -0.650 0.000 -1.013) 1.203 6.908 ( 6.375 -0.000 6.815) 9.332 6.967 ( -1.278 0.000 2.888) 3.158 7.283 ( 1.260 -0.000 -0.085) 1.263 7.631 ( 19.371 -0.000 8.487) 21.148 7.989 ( 3.067 -0.000 7.570) 8.168 8.079 ( 6.846 -0.000 -5.048) 8.506 8.406 ( -2.085 0.000 -14.870) 15.015 8.561 ( 20.025 -0.000 -13.023) 23.888 12.487 ( -3.437 0.000 10.631) 11.173 12.953 ( -1.301 0.000 -11.334) 11.409 14.288 ( -0.319 0.000 11.743) 11.747 14.621 ( -0.715 0.000 -3.126) 3.207 16.120 ( 22.594 -0.000 12.569) 25.855 16.372 ( -17.683 0.000 4.417) 18.227 16.563 ( -16.096 0.000 -3.018) 16.377 16.810 ( 16.143 -0.000 -16.531) 23.105 17.586 ( 11.268 -0.000 10.463) 15.377 18.072 ( 10.697 -0.000 -8.695) 13.785 18.468 ( -1.104 0.000 10.446) 10.504 19.054 ( -13.517 0.000 -13.249) 18.928 20.574 ( -11.320 0.000 15.777) 19.418 21.104 ( -3.567 0.000 -8.499) 9.217 22.237 ( -6.625 0.000 6.234) 9.097 22.611 ( 4.838 -0.000 -10.018) 11.125 46.977 ( 2.634 -0.000 2.463) 3.607 46.993 ( -8.448 0.000 0.919) 8.498 47.533 ( 6.659 -0.000 -0.012) 6.659 47.544 ( -2.587 0.000 -0.632) 2.663 98.822 ( -0.495 0.000 0.837) 0.972 98.826 ( -0.112 0.000 0.527) 0.539 99.118 ( -4.219 0.000 1.487) 4.473 99.139 ( -2.354 0.000 -1.035) 2.572 99.525 ( 5.812 -0.000 3.041) 6.559 99.612 ( 2.817 -0.000 1.342) 3.120 100.084 ( -0.689 0.000 5.267) 5.312 100.620 ( -0.096 0.000 -18.169) 18.170 ======================= Grid point 183 (65/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 15.742 -2.251 3.412) 16.264 1.623 ( 14.895 -4.068 5.332) 16.335 1.850 ( 1.358 -2.597 -12.664) 12.998 1.942 ( 3.985 -2.603 -5.581) 7.335 2.136 ( -3.135 1.068 6.561) 7.349 2.312 ( -2.233 5.921 2.876) 6.951 2.455 ( -2.422 -3.858 1.162) 4.701 2.536 ( -3.346 4.521 1.486) 5.817 2.636 ( -0.488 1.776 -3.043) 3.557 2.683 ( 3.442 -1.641 -3.000) 4.852 2.826 ( 7.724 1.990 5.444) 9.658 2.922 ( -0.967 -0.183 2.971) 3.130 3.766 ( -1.406 -1.709 4.005) 4.576 3.876 ( -0.557 -3.830 -1.617) 4.195 4.480 ( 1.683 2.473 -0.691) 3.070 4.527 ( 3.898 -2.413 7.147) 8.491 4.606 ( 0.103 -5.213 -2.368) 5.727 4.863 ( 5.356 0.444 -3.864) 6.619 5.004 ( 3.469 1.724 7.841) 8.746 5.311 ( 2.532 5.219 -10.044) 11.598 5.568 ( -6.675 2.536 3.837) 8.107 5.875 ( -3.626 2.045 -6.099) 7.385 6.276 ( -1.963 1.466 5.084) 5.643 6.452 ( -1.042 1.717 -1.298) 2.391 6.932 ( 5.273 5.938 4.138) 8.955 6.968 ( -0.542 -0.659 6.075) 6.135 7.235 ( 2.133 7.099 -0.642) 7.440 7.909 ( 6.646 -4.861 -5.886) 10.122 7.981 ( 0.721 2.536 7.542) 7.990 8.182 ( 9.972 -1.296 8.541) 13.194 8.385 ( -2.019 -0.574 -13.994) 14.150 8.887 ( 23.848 -0.507 -14.287) 27.805 12.440 ( -2.138 0.844 10.694) 10.938 12.945 ( -0.924 -0.984 -12.590) 12.662 14.309 ( 0.809 -2.226 11.328) 11.573 14.628 ( 1.383 -0.279 -3.171) 3.471 16.089 ( -16.985 2.204 6.609) 18.358 16.344 ( -16.126 -2.496 -4.867) 17.028 16.454 ( 17.551 -3.611 11.851) 21.483 17.035 ( 12.868 -1.698 -13.348) 18.618 17.756 ( 11.904 -0.636 11.418) 16.507 18.139 ( -1.525 0.828 0.903) 1.957 18.554 ( 13.230 -0.978 -2.710) 13.540 18.863 ( -11.556 1.858 -10.368) 15.636 20.413 ( -9.851 1.177 15.331) 18.261 21.035 ( -6.286 0.015 -12.083) 13.620 22.164 ( -5.761 -1.847 10.082) 11.758 22.691 ( 4.807 -1.496 -12.719) 13.679 46.865 ( -9.528 -0.125 2.885) 9.956 46.995 ( -0.098 0.010 -2.401) 2.403 47.537 ( 1.571 -0.005 2.789) 3.201 47.641 ( 8.190 -0.016 -1.690) 8.362 98.812 ( -0.655 0.250 0.894) 1.137 98.820 ( -0.595 0.082 0.474) 0.765 99.064 ( -3.237 0.062 1.470) 3.556 99.108 ( -1.812 0.111 -1.509) 2.361 99.614 ( 7.375 0.696 1.197) 7.504 99.651 ( 3.206 0.920 1.693) 3.740 100.058 ( -1.998 0.700 6.282) 6.630 100.590 ( -4.041 -0.143 -15.841) 16.349 ======================= Grid point 184 (66/100) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 9.452 -2.994 3.613) 10.553 1.868 ( 9.708 1.246 -0.778) 9.818 1.918 ( 1.565 -8.629 -3.954) 9.619 2.033 ( 2.125 1.849 -1.504) 3.193 2.126 ( 5.922 -2.187 1.969) 6.613 2.191 ( -1.849 4.717 1.646) 5.327 2.376 ( -6.267 6.763 0.420) 9.230 2.427 ( -5.299 1.095 -2.009) 5.771 2.648 ( 3.440 -0.615 1.260) 3.715 2.764 ( 4.233 -0.511 -2.699) 5.046 2.829 ( -0.021 1.547 3.735) 4.043 2.947 ( 3.682 1.928 -0.446) 4.180 3.771 ( -1.882 -1.449 5.814) 6.281 3.933 ( -1.268 -5.426 -1.499) 5.770 4.492 ( 2.982 1.028 3.600) 4.786 4.619 ( 3.821 -2.407 9.717) 10.715 4.716 ( 3.026 -6.319 -4.040) 8.088 4.902 ( 3.008 1.798 -1.260) 3.724 4.995 ( 0.522 3.331 7.401) 8.133 5.202 ( -2.843 8.636 -2.330) 9.386 5.466 ( -2.485 3.042 -5.117) 6.451 5.772 ( -4.493 4.610 -8.190) 10.417 6.225 ( -1.834 1.472 4.898) 5.433 6.406 ( -1.003 2.719 -2.922) 4.116 6.894 ( 5.521 9.557 7.557) 13.377 6.976 ( -0.438 -1.616 5.648) 5.891 7.178 ( 3.021 5.759 -2.648) 7.022 7.867 ( -5.265 2.627 -16.460) 17.480 7.981 ( -1.814 1.787 6.327) 6.820 8.344 ( -4.608 -2.210 -5.593) 7.577 8.411 ( 14.878 -0.187 12.551) 19.466 9.183 ( 21.240 4.162 -14.678) 26.152 12.408 ( -0.977 0.513 10.734) 10.791 12.955 ( -0.341 -1.597 -14.172) 14.266 14.370 ( 1.975 -3.546 11.023) 11.746 14.666 ( 3.463 -0.413 -2.694) 4.407 15.828 ( -17.677 0.345 8.428) 19.586 16.186 ( -15.156 -6.053 -7.167) 17.825 16.724 ( 15.026 -1.726 10.886) 18.635 17.193 ( 7.833 0.049 -9.607) 12.395 17.891 ( 6.085 2.597 10.850) 12.708 18.080 ( -1.365 0.093 5.240) 5.416 18.654 ( -5.395 4.627 -6.525) 9.648 18.838 ( 15.174 -3.074 -10.769) 18.859 20.282 ( -7.868 -0.315 13.953) 16.021 20.937 ( -8.603 -1.317 -14.711) 17.093 22.134 ( -3.721 -3.261 13.823) 14.682 22.787 ( 5.099 -2.565 -14.715) 15.783 46.743 ( -8.628 -0.826 4.411) 9.725 46.981 ( -2.398 -0.843 -6.195) 6.696 47.578 ( 4.433 0.595 5.209) 6.866 47.748 ( 7.690 0.781 -2.622) 8.163 98.800 ( -0.506 0.180 0.670) 0.859 98.810 ( -0.718 0.013 0.307) 0.781 99.033 ( -1.884 -0.834 1.376) 2.478 99.091 ( -0.671 -0.309 -1.642) 1.800 99.662 ( 2.802 2.855 2.476) 4.705 99.710 ( 8.111 1.482 -0.951) 8.300 100.012 ( -3.162 0.837 7.138) 7.852 100.518 ( -6.901 -0.461 -13.532) 15.197 ======================= Grid point 185 (67/100) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 4.167 1.629 4.538) 6.372 1.858 ( 0.847 3.799 -1.150) 4.058 1.945 ( -2.058 5.963 3.802) 7.365 2.077 ( -0.326 -4.345 -3.718) 5.728 2.165 ( -3.620 4.625 -0.610) 5.905 2.216 ( 7.365 -0.949 3.573) 8.241 2.287 ( -3.929 1.797 -3.426) 5.514 2.354 ( 6.930 -2.185 -2.799) 7.786 2.712 ( 3.156 -0.556 2.721) 4.204 2.793 ( -0.687 -1.558 0.684) 1.835 2.819 ( 0.704 2.306 1.390) 2.783 2.963 ( 4.608 3.034 -3.505) 6.537 3.749 ( -2.818 -0.609 6.873) 7.453 3.979 ( -2.322 -4.480 -3.388) 6.078 4.494 ( 0.147 2.988 5.397) 6.171 4.677 ( 2.710 2.103 5.963) 6.879 4.821 ( 0.513 -3.271 2.774) 4.319 4.924 ( 3.351 1.549 3.295) 4.948 4.933 ( -1.528 4.119 7.270) 8.494 5.076 ( -0.930 1.123 -1.483) 2.080 5.396 ( -0.316 4.122 -10.822) 11.584 5.621 ( -4.946 7.243 -10.805) 13.917 6.192 ( -0.847 0.463 4.066) 4.179 6.351 ( -0.897 2.785 -3.770) 4.772 6.832 ( 4.860 9.023 9.461) 13.948 6.998 ( -0.683 -2.298 6.490) 6.919 7.147 ( 4.012 5.616 -3.295) 7.648 7.727 ( -8.666 4.259 -18.359) 20.744 7.916 ( -1.714 2.036 7.419) 7.882 8.281 ( -4.387 1.004 -7.900) 9.092 8.577 ( 9.163 1.877 15.819) 18.377 9.330 ( 14.539 10.562 -14.537) 23.114 12.398 ( -0.207 -0.256 10.955) 10.960 12.979 ( 0.234 -1.925 -15.620) 15.740 14.461 ( 3.064 -4.204 10.980) 12.150 14.732 ( 5.112 -0.299 -1.918) 5.468 15.595 ( -15.517 -0.138 10.938) 18.986 16.090 ( -12.385 -6.993 -10.201) 17.503 16.910 ( 9.975 -0.007 9.149) 13.535 17.250 ( 3.391 2.543 -6.329) 7.617 17.818 ( -2.536 7.280 7.974) 11.092 18.130 ( 3.082 -0.669 2.350) 3.933 18.521 ( -2.308 4.389 2.210) 5.429 19.100 ( 14.647 -2.572 -14.485) 20.760 20.211 ( -5.444 -2.973 12.692) 14.127 20.854 ( -8.193 -4.198 -15.612) 18.124 22.153 ( -1.647 -4.485 16.488) 17.167 22.905 ( 5.481 -3.541 -16.685) 17.916 46.656 ( -6.336 -1.691 5.842) 8.782 46.964 ( -2.556 -1.940 -8.090) 8.704 47.629 ( 4.512 1.322 5.990) 7.614 47.825 ( 5.820 1.684 -3.147) 6.827 98.793 ( -0.337 -0.030 0.378) 0.507 98.802 ( -0.544 -0.135 0.078) 0.566 99.037 ( -0.553 -2.099 1.500) 2.638 99.101 ( 0.559 -1.268 -1.259) 1.872 99.648 ( 2.428 3.938 4.384) 6.374 99.801 ( 8.847 2.325 -3.032) 9.637 99.942 ( -4.340 1.814 6.839) 8.300 100.412 ( -9.382 -0.588 -12.049) 15.282 ======================= Grid point 186 (68/100) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 1.715 10.747 6.841) 12.854 1.735 ( -1.292 12.154 5.949) 13.593 1.939 ( -0.194 -4.063 1.014) 4.192 2.010 ( -0.790 7.236 -5.503) 9.124 2.128 ( -2.728 -2.801 -1.995) 4.390 2.172 ( -3.331 2.554 -6.874) 8.054 2.362 ( 4.768 -4.265 3.702) 7.391 2.521 ( 6.522 -3.911 -1.296) 7.714 2.700 ( -0.397 7.688 5.253) 9.320 2.772 ( -1.803 -0.746 3.491) 3.999 2.830 ( 1.004 -2.049 -0.469) 2.329 2.990 ( 3.846 2.052 -5.084) 6.697 3.734 ( -1.675 -2.400 6.797) 7.401 4.005 ( -1.758 -3.662 -5.650) 6.959 4.408 ( -2.354 5.928 5.597) 8.485 4.649 ( 1.183 4.553 -2.143) 5.169 4.794 ( -0.754 3.962 8.108) 9.056 4.840 ( -1.790 5.150 8.692) 10.260 4.955 ( -0.068 -1.827 3.297) 3.770 5.142 ( 2.565 -4.337 -0.079) 5.039 5.347 ( 1.617 5.180 -10.336) 11.674 5.448 ( -4.809 5.098 -11.810) 13.733 6.186 ( -0.013 -0.172 2.884) 2.890 6.314 ( -0.297 0.923 -3.254) 3.395 6.768 ( 2.647 7.673 10.071) 12.934 7.014 ( -1.777 -2.243 8.150) 8.638 7.144 ( 6.509 4.408 -3.533) 8.619 7.508 ( -9.864 7.800 -14.141) 18.924 7.888 ( -0.408 0.458 4.635) 4.675 8.214 ( -2.515 1.071 -8.051) 8.502 8.606 ( 3.516 6.181 13.379) 15.152 9.282 ( 6.416 16.356 -13.396) 22.094 12.409 ( 0.146 -1.261 11.317) 11.388 13.012 ( 0.422 -1.889 -16.691) 16.803 14.565 ( 3.028 -3.874 10.744) 11.816 14.805 ( 4.697 0.289 -1.292) 4.880 15.411 ( -10.336 0.294 13.545) 17.041 16.033 ( -7.731 -4.431 -12.886) 15.667 17.005 ( 4.729 0.763 6.828) 8.341 17.229 ( 0.982 4.166 -4.014) 5.868 17.672 ( -1.871 8.364 7.668) 11.501 18.108 ( -1.017 5.571 -8.198) 9.963 18.493 ( 1.780 -0.212 14.905) 15.012 19.293 ( 7.897 -2.418 -16.810) 18.730 20.219 ( -2.593 -6.069 12.520) 14.153 20.847 ( -4.245 -7.134 -15.383) 17.480 22.210 ( -0.342 -5.370 17.528) 18.335 23.026 ( 4.255 -3.152 -18.871) 19.600 46.620 ( -3.202 -2.713 7.178) 8.315 46.971 ( -1.330 -2.906 -8.764) 9.329 47.657 ( 2.681 1.846 5.863) 6.706 47.858 ( 3.079 2.417 -3.439) 5.211 98.791 ( -0.215 -0.171 0.186) 0.331 98.798 ( -0.297 -0.196 -0.100) 0.370 99.072 ( 0.154 -2.927 1.666) 3.372 99.140 ( 1.009 -2.333 -0.743) 2.649 99.630 ( 3.155 3.528 7.717) 9.053 99.834 ( -5.195 2.469 5.678) 8.082 99.892 ( 8.795 4.100 -4.689) 10.778 100.283 ( -10.075 -0.883 -11.682) 15.452 ======================= Grid point 187 (69/100) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 14.230 8.549) 16.601 1.555 ( 0.000 11.654 11.142) 16.123 1.906 ( 0.000 6.497 -7.816) 10.163 1.989 ( -0.000 -3.045 -0.472) 3.082 2.084 ( 0.000 2.559 -5.575) 6.134 2.176 ( -0.000 -2.386 -1.595) 2.870 2.458 ( -0.000 -5.193 1.611) 5.437 2.519 ( 0.000 14.207 12.045) 18.625 2.627 ( -0.000 -3.526 -2.742) 4.466 2.779 ( -0.000 -0.927 3.274) 3.403 2.862 ( -0.000 -1.102 -2.557) 2.784 3.002 ( 0.000 0.048 -5.527) 5.527 3.777 ( -0.000 -4.758 6.299) 7.894 4.043 ( -0.000 -3.178 -6.646) 7.366 4.301 ( 0.000 5.614 6.243) 8.396 4.587 ( 0.000 5.215 -6.057) 7.993 4.727 ( 0.000 4.869 6.522) 8.139 4.758 ( 0.000 4.216 8.649) 9.622 4.972 ( -0.000 -0.823 0.173) 0.841 5.209 ( 0.000 12.350 -9.567) 15.622 5.217 ( -0.000 -5.381 1.181) 5.509 5.452 ( -0.000 -7.116 -6.484) 9.627 6.189 ( -0.000 -0.303 2.184) 2.204 6.317 ( -0.000 -1.124 -2.935) 3.143 6.688 ( 0.000 5.815 10.300) 11.828 7.022 ( -0.000 -0.988 8.197) 8.257 7.189 ( 0.000 0.087 -0.454) 0.462 7.272 ( 0.000 10.788 -13.833) 17.543 7.876 ( 0.000 1.207 5.172) 5.311 8.186 ( 0.000 0.991 -9.000) 9.054 8.514 ( 0.000 9.281 9.650) 13.388 9.066 ( 0.000 19.150 -11.360) 22.266 12.437 ( -0.000 -2.535 11.591) 11.865 13.040 ( -0.000 -1.460 -17.044) 17.106 14.630 ( -0.000 -1.153 9.682) 9.750 14.834 ( 0.000 0.509 -0.621) 0.803 15.324 ( 0.000 1.065 14.860) 14.898 16.008 ( -0.000 -0.228 -14.314) 14.315 17.027 ( 0.000 0.663 4.709) 4.756 17.172 ( 0.000 4.464 -2.665) 5.199 17.540 ( 0.000 8.207 8.069) 11.509 17.990 ( 0.000 8.640 -10.328) 13.465 18.533 ( -0.000 -2.625 17.765) 17.958 19.389 ( -0.000 -3.696 -18.263) 18.633 20.311 ( -0.000 -9.292 13.651) 16.514 20.928 ( -0.000 -7.695 -13.993) 15.969 22.288 ( -0.000 -5.619 15.905) 16.869 23.084 ( 0.000 0.199 -20.418) 20.419 46.646 ( -0.000 -3.939 8.160) 9.062 47.008 ( -0.000 -3.400 -8.604) 9.251 47.648 ( 0.000 2.136 5.319) 5.732 47.842 ( 0.000 2.851 -3.585) 4.580 98.792 ( -0.000 -0.201 0.118) 0.233 98.799 ( -0.000 -0.189 -0.155) 0.245 99.116 ( -0.000 -2.942 1.560) 3.331 99.184 ( -0.000 -2.571 -0.749) 2.678 99.636 ( 0.000 0.662 12.726) 12.743 99.729 ( 0.000 4.075 2.953) 5.032 99.907 ( 0.000 4.736 -4.618) 6.615 100.212 ( -0.000 -1.388 -12.440) 12.517 ======================= Grid point 192 (70/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 9.812 -0.000 0.442) 9.822 1.761 ( 7.005 -0.000 1.637) 7.194 1.896 ( 10.081 -0.000 -6.956) 12.248 2.027 ( 9.941 -0.000 -3.580) 10.566 2.114 ( -0.715 0.000 4.832) 4.885 2.310 ( -6.365 0.000 -2.661) 6.899 2.390 ( -0.907 0.000 5.032) 5.113 2.491 ( -6.102 0.000 -1.009) 6.185 2.648 ( -0.072 0.000 0.388) 0.395 2.745 ( 6.081 -0.000 -2.887) 6.732 2.867 ( -4.105 0.000 5.925) 7.208 2.971 ( 7.305 -0.000 0.145) 7.307 3.745 ( 0.319 -0.000 4.448) 4.459 3.848 ( 0.237 -0.000 -1.206) 1.229 4.552 ( 1.345 -0.000 -0.247) 1.367 4.575 ( 4.962 -0.000 9.729) 10.921 4.576 ( 6.300 -0.000 -3.373) 7.146 4.930 ( 3.382 -0.000 -4.191) 5.386 5.050 ( 1.113 -0.000 9.180) 9.247 5.398 ( 3.030 -0.000 -12.809) 13.162 5.463 ( -9.667 0.000 7.943) 12.511 5.832 ( -4.523 0.000 -6.018) 7.528 6.248 ( -3.256 0.000 5.943) 6.777 6.446 ( -1.284 0.000 -2.186) 2.535 6.948 ( 0.070 -0.000 5.185) 5.185 7.043 ( 3.949 -0.000 3.943) 5.580 7.304 ( 0.320 -0.000 -1.789) 1.818 7.929 ( -0.570 0.000 -12.526) 12.539 7.989 ( -2.235 0.000 6.856) 7.211 8.263 ( 2.487 -0.000 2.487) 3.517 8.440 ( 10.930 -0.000 1.137) 10.989 9.237 ( 25.018 -0.000 -16.854) 30.165 12.419 ( -1.593 0.000 10.452) 10.573 12.927 ( -0.552 0.000 -12.718) 12.730 14.312 ( 1.750 -0.000 11.678) 11.808 14.659 ( 3.347 -0.000 -3.873) 5.119 15.834 ( -19.112 0.000 6.558) 20.206 16.084 ( -17.010 0.000 -4.572) 17.613 16.693 ( 17.398 -0.000 11.519) 20.866 17.189 ( 9.915 -0.000 -9.875) 13.994 17.921 ( 11.704 -0.000 11.603) 16.481 18.092 ( -5.281 0.000 4.465) 6.915 18.735 ( -8.421 0.000 -7.536) 11.301 18.783 ( 19.338 -0.000 -9.689) 21.630 20.281 ( -9.572 0.000 13.588) 16.621 20.920 ( -10.031 0.000 -14.398) 17.548 22.084 ( -3.850 0.000 14.122) 14.637 22.744 ( 4.294 -0.000 -14.738) 15.351 46.732 ( -9.006 0.000 4.208) 9.941 46.969 ( -3.116 0.000 -6.394) 7.113 47.586 ( 4.945 -0.000 5.522) 7.413 47.758 ( 8.211 -0.000 -2.466) 8.573 98.804 ( -0.643 0.000 0.741) 0.981 98.810 ( -0.891 0.000 0.395) 0.975 99.021 ( -2.764 0.000 1.715) 3.252 99.087 ( -1.184 0.000 -1.923) 2.258 99.707 ( 3.499 -0.000 2.832) 4.501 99.734 ( 8.793 -0.000 -0.405) 8.802 100.025 ( -3.198 0.000 5.740) 6.571 100.511 ( -6.860 0.000 -13.916) 15.515 ======================= Grid point 193 (71/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 4.054 -1.794 0.625) 4.477 1.835 ( 0.402 -3.551 -4.660) 5.872 2.049 ( 9.977 2.705 1.765) 10.487 2.103 ( 3.006 2.108 -0.130) 3.674 2.200 ( 6.549 -1.163 0.097) 6.652 2.222 ( 1.096 0.559 0.640) 1.387 2.345 ( -4.029 2.650 1.631) 5.091 2.402 ( -3.656 1.917 -2.094) 4.629 2.663 ( 1.224 -1.443 3.224) 3.738 2.780 ( -3.337 0.047 3.181) 4.610 2.842 ( 2.744 -0.264 0.067) 2.758 3.034 ( 3.796 1.556 -5.260) 6.671 3.757 ( 0.898 0.622 5.434) 5.542 3.872 ( 0.292 -2.343 -0.626) 2.443 4.564 ( 3.555 2.058 2.746) 4.941 4.662 ( 5.875 -1.314 10.127) 11.781 4.711 ( 6.780 -3.537 -3.044) 8.230 4.951 ( 0.961 1.076 -2.595) 2.970 5.035 ( -0.718 2.240 9.788) 10.067 5.258 ( -7.398 7.271 4.577) 11.338 5.451 ( -0.263 -0.977 -10.374) 10.423 5.751 ( -4.863 2.126 -7.756) 9.398 6.200 ( -3.006 0.106 5.944) 6.662 6.420 ( -1.015 1.417 -3.860) 4.235 6.957 ( 0.330 -0.560 6.771) 6.803 7.062 ( 3.609 4.734 5.442) 8.065 7.280 ( 1.143 3.316 -4.310) 5.556 7.851 ( -4.605 4.112 -18.027) 19.055 7.957 ( -3.138 -0.063 5.179) 6.056 8.273 ( -1.887 -0.954 -3.961) 4.490 8.614 ( 12.616 0.833 15.470) 19.979 9.529 ( 19.246 3.435 -17.993) 26.570 12.400 ( -0.838 0.164 10.402) 10.437 12.930 ( -0.217 -1.149 -13.609) 13.659 14.355 ( 2.069 -2.365 11.931) 12.338 14.719 ( 4.902 -0.381 -4.250) 6.499 15.588 ( -16.156 -0.197 8.058) 18.055 15.900 ( -13.658 -4.581 -5.604) 15.457 16.903 ( 12.010 -0.292 10.730) 16.108 17.293 ( 5.331 0.578 -6.600) 8.504 17.984 ( -2.042 4.134 6.433) 7.914 18.087 ( 6.004 -1.898 8.482) 10.564 18.630 ( -4.093 2.296 -3.340) 5.760 19.058 ( 18.350 -0.598 -13.740) 22.932 20.165 ( -7.396 -0.632 11.418) 13.619 20.773 ( -11.583 -1.407 -15.326) 19.262 22.057 ( -1.975 -1.886 17.004) 17.222 22.812 ( 3.439 -2.137 -16.121) 16.621 46.625 ( -6.770 -0.546 5.218) 8.565 46.926 ( -3.335 -0.702 -8.429) 9.092 47.655 ( 4.963 0.492 6.530) 8.216 47.857 ( 6.317 0.562 -2.947) 6.993 98.795 ( -0.506 0.121 0.385) 0.648 98.799 ( -0.705 -0.098 0.239) 0.751 98.994 ( -1.764 -0.819 1.934) 2.743 99.079 ( -0.364 -0.379 -2.039) 2.106 99.738 ( 2.762 1.907 3.956) 5.188 99.853 ( 9.360 1.129 -2.325) 9.710 99.976 ( -3.145 0.468 5.308) 6.187 100.404 ( -8.723 -0.071 -11.623) 14.532 ======================= Grid point 194 (72/100) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.714 -3.359 1.065) 3.918 1.871 ( -0.515 -1.615 -2.983) 3.431 2.048 ( 0.654 8.111 1.813) 8.337 2.073 ( 1.292 2.401 0.242) 2.738 2.191 ( -1.593 3.669 -1.083) 4.144 2.256 ( -3.791 2.890 -3.516) 5.923 2.316 ( 5.833 0.553 4.189) 7.202 2.417 ( 6.115 -2.657 0.224) 6.671 2.713 ( 0.612 -3.007 3.311) 4.514 2.730 ( -3.703 -1.156 4.754) 6.136 2.870 ( 1.443 1.373 -1.393) 2.431 3.053 ( 2.709 1.764 -7.487) 8.155 3.739 ( -0.277 2.217 6.318) 6.701 3.909 ( -0.389 -2.706 -2.023) 3.401 4.562 ( 1.599 4.308 3.634) 5.859 4.755 ( 4.349 -0.148 10.690) 11.542 4.807 ( 2.221 0.920 -4.065) 4.723 4.962 ( 1.327 -1.328 5.806) 6.102 4.982 ( -0.290 3.067 9.152) 9.656 5.079 ( -4.338 4.452 2.724) 6.787 5.439 ( 0.063 2.062 -13.164) 13.324 5.641 ( -3.809 4.779 -10.224) 11.911 6.172 ( -1.465 -0.647 5.288) 5.525 6.379 ( -0.674 2.603 -4.695) 5.411 6.968 ( -0.002 -0.558 8.435) 8.453 7.012 ( 2.460 7.845 7.219) 10.941 7.258 ( 2.109 3.032 -5.012) 6.226 7.717 ( -3.996 6.440 -20.266) 21.636 7.907 ( -2.212 0.837 5.668) 6.141 8.243 ( -2.115 0.819 -5.382) 5.840 8.727 ( 6.431 2.577 18.140) 19.418 9.646 ( 9.732 8.813 -17.957) 22.245 12.392 ( -0.248 -0.133 10.602) 10.606 12.952 ( 0.040 -2.019 -14.829) 14.966 14.431 ( 1.702 -4.402 12.139) 13.024 14.797 ( 4.747 -0.630 -4.524) 6.587 15.404 ( -10.512 -0.502 10.892) 15.145 15.839 ( -7.684 -7.569 -7.959) 13.404 17.024 ( 5.693 0.520 9.582) 11.158 17.322 ( 1.870 2.108 -4.552) 5.354 17.880 ( -1.997 5.742 5.762) 8.376 18.170 ( 3.007 -0.048 3.555) 4.656 18.558 ( -0.618 3.316 4.157) 5.353 19.272 ( 11.167 0.436 -16.484) 19.915 20.105 ( -3.879 -2.295 10.052) 11.016 20.673 ( -7.798 -4.576 -15.131) 17.626 22.078 ( -0.698 -3.557 18.748) 19.095 22.900 ( 2.384 -4.404 -17.418) 18.124 46.565 ( -3.557 -1.261 6.090) 7.165 46.905 ( -1.893 -1.640 -9.270) 9.603 47.700 ( 2.894 1.086 6.654) 7.337 47.912 ( 3.356 1.307 -3.237) 4.843 98.788 ( -0.327 -0.031 0.172) 0.370 98.794 ( -0.278 -0.124 -0.021) 0.305 98.998 ( -0.632 -2.034 2.124) 3.008 99.089 ( 0.220 -1.184 -1.742) 2.118 99.732 ( 1.918 3.198 6.167) 7.207 99.903 ( -1.574 2.201 4.244) 5.033 99.982 ( 9.020 1.685 -4.643) 10.284 100.271 ( -10.277 0.147 -9.783) 14.190 ======================= Grid point 195 (73/100) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.000 3.181 3.764) 4.927 1.885 ( -0.000 -2.527 -0.543) 2.584 1.904 ( 0.000 12.047 4.212) 12.762 2.068 ( -0.000 -1.966 -1.462) 2.450 2.115 ( 0.000 7.541 -5.053) 9.078 2.173 ( 0.000 1.829 -5.161) 5.476 2.367 ( -0.000 -1.004 5.469) 5.561 2.518 ( -0.000 -3.873 -0.308) 3.885 2.723 ( -0.000 -2.270 4.191) 4.766 2.753 ( -0.000 -0.825 2.591) 2.719 2.844 ( 0.000 2.927 0.650) 2.999 3.049 ( 0.000 2.107 -7.185) 7.487 3.709 ( 0.000 0.732 6.738) 6.777 3.944 ( -0.000 -3.105 -4.448) 5.425 4.488 ( 0.000 6.668 4.108) 7.832 4.740 ( 0.000 5.939 -6.598) 8.877 4.803 ( -0.000 -0.496 13.594) 13.603 4.906 ( 0.000 5.430 12.715) 13.826 4.969 ( 0.000 2.673 3.610) 4.492 5.088 ( -0.000 -5.777 1.682) 6.017 5.408 ( 0.000 2.290 -13.738) 13.927 5.519 ( 0.000 8.203 -11.470) 14.101 6.175 ( -0.000 -0.988 4.140) 4.256 6.336 ( 0.000 2.445 -4.138) 4.807 6.909 ( 0.000 8.927 8.984) 12.665 6.979 ( -0.000 -1.224 8.360) 8.450 7.239 ( 0.000 2.674 -3.039) 4.048 7.566 ( 0.000 9.456 -18.589) 20.856 7.887 ( 0.000 0.140 4.382) 4.384 8.209 ( 0.000 1.193 -6.462) 6.571 8.716 ( 0.000 4.901 16.557) 17.267 9.550 ( 0.000 13.779 -16.393) 21.414 12.396 ( -0.000 -0.632 10.971) 10.990 12.984 ( -0.000 -2.286 -16.002) 16.164 14.516 ( -0.000 -5.319 11.858) 12.996 14.843 ( -0.000 -0.307 -3.950) 3.962 15.332 ( -0.000 -0.356 13.555) 13.560 15.894 ( -0.000 -7.216 -10.774) 12.967 17.051 ( 0.000 0.979 8.074) 8.133 17.293 ( 0.000 3.551 -3.833) 5.225 17.772 ( 0.000 7.439 6.493) 9.874 18.167 ( 0.000 2.973 -4.301) 5.229 18.517 ( 0.000 1.999 12.260) 12.422 19.341 ( 0.000 0.302 -17.344) 17.347 20.125 ( -0.000 -4.244 10.536) 11.358 20.705 ( -0.000 -7.283 -15.352) 16.992 22.134 ( -0.000 -4.828 19.270) 19.865 22.990 ( -0.000 -5.242 -18.646) 19.369 46.564 ( -0.000 -2.021 6.800) 7.094 46.921 ( -0.000 -2.493 -9.370) 9.696 47.701 ( 0.000 1.569 6.388) 6.578 47.912 ( 0.000 1.972 -3.392) 3.924 98.787 ( -0.000 -0.128 0.114) 0.172 98.794 ( -0.000 -0.156 -0.136) 0.207 99.030 ( -0.000 -2.884 2.071) 3.551 99.115 ( -0.000 -2.009 -1.204) 2.342 99.702 ( 0.000 3.194 9.078) 9.623 99.841 ( 0.000 3.560 3.321) 4.868 100.049 ( 0.000 4.843 -5.525) 7.347 100.163 ( -0.000 -1.870 -10.403) 10.569 ======================= Grid point 202 (74/100) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 1.203 -0.000 0.297) 1.239 1.822 ( 0.686 -0.000 -4.354) 4.408 2.146 ( 3.307 -0.000 -0.063) 3.308 2.157 ( -1.470 0.000 0.202) 1.484 2.249 ( -1.718 0.000 0.107) 1.722 2.259 ( 7.609 -0.000 1.301) 7.719 2.370 ( -1.613 0.000 -0.628) 1.731 2.378 ( 4.326 -0.000 1.791) 4.682 2.659 ( 0.191 -0.000 5.215) 5.219 2.711 ( -5.021 0.000 5.899) 7.747 2.879 ( 2.173 -0.000 -2.356) 3.205 3.078 ( 1.298 -0.000 -9.036) 9.129 3.792 ( 1.975 -0.000 5.307) 5.663 3.863 ( 0.567 -0.000 0.741) 0.933 4.629 ( 3.127 -0.000 2.789) 4.190 4.731 ( 4.966 -0.000 11.848) 12.847 4.797 ( 8.120 -0.000 -1.469) 8.251 4.952 ( -2.158 0.000 -3.285) 3.931 5.040 ( -0.482 0.000 11.541) 11.551 5.182 ( -9.016 0.000 6.206) 10.945 5.457 ( 1.164 -0.000 -13.453) 13.503 5.707 ( -3.412 0.000 -9.262) 9.870 6.161 ( -2.154 0.000 6.305) 6.663 6.420 ( -0.516 0.000 -5.119) 5.145 6.962 ( 0.571 -0.000 7.694) 7.715 7.135 ( 2.214 -0.000 5.541) 5.967 7.304 ( -0.180 0.000 -5.907) 5.910 7.828 ( -3.431 0.000 -21.793) 22.062 7.915 ( -2.035 0.000 6.299) 6.619 8.254 ( -0.584 0.000 -4.066) 4.108 8.762 ( 7.232 -0.000 19.343) 20.651 9.772 ( 11.076 -0.000 -19.718) 22.616 12.392 ( -0.439 0.000 10.223) 10.233 12.919 ( -0.097 0.000 -13.564) 13.564 14.362 ( 1.344 -0.000 12.548) 12.620 14.786 ( 4.630 -0.000 -6.144) 7.693 15.396 ( -10.615 0.000 9.183) 14.036 15.712 ( -7.979 0.000 -4.897) 9.361 17.032 ( 6.430 -0.000 10.634) 12.427 17.349 ( 2.246 -0.000 -4.323) 4.872 17.968 ( -2.635 0.000 4.028) 4.813 18.163 ( 4.748 -0.000 8.224) 9.496 18.611 ( -1.151 0.000 0.664) 1.329 19.284 ( 13.095 -0.000 -16.554) 21.108 20.075 ( -4.431 0.000 9.072) 10.096 20.606 ( -9.579 0.000 -14.475) 17.358 22.025 ( -0.742 0.000 18.517) 18.531 22.830 ( 1.678 -0.000 -16.741) 16.824 46.547 ( -3.665 0.000 5.708) 6.783 46.881 ( -2.075 0.000 -9.404) 9.630 47.716 ( 2.980 -0.000 6.913) 7.528 47.930 ( 3.480 -0.000 -3.139) 4.687 98.788 ( -0.499 0.000 0.150) 0.521 98.792 ( -0.215 0.000 0.050) 0.221 98.967 ( -1.009 0.000 2.326) 2.536 99.072 ( -0.093 0.000 -2.268) 2.269 99.784 ( 1.693 -0.000 5.182) 5.452 99.941 ( -2.133 0.000 4.451) 4.935 99.996 ( 9.758 -0.000 -4.732) 10.845 100.278 ( -9.374 0.000 -9.209) 13.141 ======================= Grid point 203 (75/100) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.000 -2.431 0.457) 2.473 1.840 ( -0.000 -1.747 -3.981) 4.347 2.120 ( 0.000 2.910 1.127) 3.120 2.165 ( 0.000 5.451 1.379) 5.623 2.196 ( -0.000 -0.062 -2.027) 2.028 2.284 ( 0.000 3.543 -3.798) 5.194 2.371 ( 0.000 0.360 4.718) 4.731 2.429 ( -0.000 -1.836 2.012) 2.724 2.670 ( -0.000 -1.270 4.927) 5.088 2.683 ( -0.000 -2.027 5.790) 6.135 2.892 ( 0.000 0.330 -2.511) 2.533 3.084 ( 0.000 0.408 -9.653) 9.662 3.783 ( 0.000 2.929 5.648) 6.362 3.881 ( -0.000 -1.459 0.159) 1.468 4.633 ( 0.000 2.927 2.911) 4.128 4.775 ( -0.000 -0.606 13.501) 13.514 4.884 ( 0.000 3.145 -8.305) 8.881 4.914 ( -0.000 -3.746 4.747) 6.047 5.026 ( 0.000 2.472 14.903) 15.107 5.084 ( 0.000 2.489 1.623) 2.972 5.460 ( 0.000 0.836 -13.705) 13.731 5.665 ( 0.000 2.416 -10.480) 10.755 6.149 ( -0.000 -0.566 6.066) 6.092 6.405 ( 0.000 1.588 -5.455) 5.681 6.966 ( 0.000 0.041 8.280) 8.280 7.119 ( 0.000 4.456 6.772) 8.107 7.296 ( 0.000 0.984 -6.568) 6.642 7.772 ( 0.000 4.232 -22.016) 22.419 7.897 ( 0.000 0.430 5.953) 5.969 8.244 ( 0.000 0.849 -4.436) 4.516 8.803 ( 0.000 1.438 20.108) 20.159 9.816 ( 0.000 4.771 -19.754) 20.322 12.389 ( -0.000 -0.038 10.304) 10.304 12.928 ( -0.000 -1.272 -14.031) 14.088 14.391 ( -0.000 -2.657 12.696) 12.971 14.827 ( -0.000 -0.500 -7.027) 7.045 15.319 ( -0.000 -0.335 11.025) 11.030 15.692 ( -0.000 -4.948 -5.813) 7.634 17.073 ( 0.000 0.467 10.257) 10.268 17.357 ( 0.000 1.011 -3.660) 3.797 17.928 ( 0.000 3.044 4.245) 5.224 18.196 ( 0.000 0.090 5.539) 5.540 18.591 ( 0.000 1.891 3.861) 4.300 19.373 ( 0.000 1.119 -17.844) 17.879 20.052 ( -0.000 -1.185 8.440) 8.523 20.553 ( -0.000 -2.920 -13.965) 14.267 22.034 ( -0.000 -1.917 19.094) 19.190 22.862 ( -0.000 -2.780 -17.180) 17.404 46.526 ( -0.000 -0.652 6.002) 6.038 46.873 ( -0.000 -0.883 -9.647) 9.688 47.733 ( 0.000 0.587 6.912) 6.937 47.950 ( 0.000 0.694 -3.232) 3.306 98.785 ( -0.000 -0.040 0.108) 0.115 98.791 ( -0.000 -0.059 -0.104) 0.119 98.969 ( -0.000 -1.188 2.423) 2.699 99.077 ( -0.000 -0.665 -2.156) 2.256 99.782 ( 0.000 1.848 6.385) 6.647 99.915 ( 0.000 1.412 3.772) 4.027 100.116 ( -0.000 -1.146 -7.833) 7.917 100.154 ( 0.000 2.096 -6.416) 6.750 ======================= Grid point 243 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 0.000 -17.274) 17.274 1.445 ( 0.000 0.000 17.274) 17.274 1.563 ( 0.000 0.000 -20.893) 20.893 1.563 ( 0.000 0.000 20.893) 20.893 2.196 ( 0.000 0.000 -2.018) 2.018 2.196 ( 0.000 0.000 2.018) 2.018 2.430 ( 0.000 0.000 -25.410) 25.410 2.430 ( 0.000 0.000 25.410) 25.410 2.652 ( 0.000 0.000 -1.022) 1.022 2.652 ( 0.000 0.000 1.022) 1.022 2.902 ( 0.000 0.000 -6.990) 6.990 2.902 ( 0.000 0.000 6.990) 6.990 3.941 ( 0.000 0.000 -0.070) 0.070 3.941 ( 0.000 0.000 0.070) 0.070 4.198 ( 0.000 0.000 -0.421) 0.421 4.198 ( 0.000 0.000 0.421) 0.421 4.793 ( 0.000 0.000 -4.331) 4.331 4.793 ( 0.000 0.000 4.331) 4.331 4.858 ( 0.000 0.000 -10.307) 10.307 4.858 ( 0.000 0.000 10.307) 10.307 6.034 ( 0.000 0.000 -3.306) 3.306 6.034 ( 0.000 0.000 3.306) 3.306 6.334 ( 0.000 0.000 -4.396) 4.396 6.334 ( 0.000 0.000 4.396) 4.396 6.709 ( 0.000 0.000 -5.520) 5.520 6.709 ( 0.000 0.000 5.520) 5.520 7.090 ( 0.000 0.000 -5.161) 5.161 7.090 ( 0.000 0.000 5.161) 5.161 7.634 ( 0.000 0.000 -4.509) 4.509 7.634 ( 0.000 0.000 4.509) 4.509 8.315 ( 0.000 0.000 -5.919) 5.919 8.315 ( 0.000 0.000 5.919) 5.919 12.836 ( 0.000 0.000 -7.426) 7.426 12.836 ( 0.000 0.000 7.426) 7.426 14.643 ( 0.000 0.000 -10.746) 10.746 14.643 ( 0.000 0.000 10.746) 10.746 15.556 ( 0.000 0.000 -15.316) 15.316 15.556 ( 0.000 0.000 15.316) 15.316 17.016 ( 0.000 0.000 -1.310) 1.310 17.016 ( 0.000 0.000 1.310) 1.310 17.473 ( 0.000 0.000 -9.089) 9.089 17.473 ( 0.000 0.000 9.089) 9.089 19.086 ( 0.000 0.000 -22.564) 22.564 19.086 ( 0.000 0.000 22.564) 22.564 21.135 ( 0.000 0.000 -1.694) 1.694 21.135 ( 0.000 0.000 1.694) 1.694 22.492 ( 0.000 0.000 -0.522) 0.522 22.492 ( 0.000 0.000 0.522) 0.522 47.029 ( 0.000 0.000 -2.952) 2.952 47.029 ( 0.000 0.000 2.952) 2.952 47.626 ( 0.000 0.000 -4.948) 4.948 47.626 ( 0.000 0.000 4.948) 4.948 98.803 ( 0.000 0.000 -0.129) 0.129 98.803 ( 0.000 0.000 0.129) 0.129 99.220 ( 0.000 0.000 -0.424) 0.424 99.220 ( 0.000 0.000 0.424) 0.424 99.667 ( 0.000 0.000 -4.162) 4.162 99.667 ( 0.000 0.000 4.162) 4.162 100.029 ( 0.000 0.000 -0.306) 0.306 100.029 ( 0.000 0.000 0.306) 0.306 ======================= Grid point 245 (77/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -4.037 -2.172 -8.592) 9.739 1.425 ( -4.037 -2.172 8.592) 9.739 1.596 ( 1.742 -3.158 -12.028) 12.557 1.596 ( 1.742 -3.158 12.028) 12.557 2.208 ( 2.148 0.248 -2.778) 3.520 2.208 ( 2.148 0.248 2.778) 3.520 2.503 ( 5.014 -3.660 -20.962) 21.862 2.503 ( 5.014 -3.660 20.962) 21.862 2.633 ( -1.316 1.398 -2.203) 2.922 2.633 ( -1.316 1.398 2.203) 2.922 2.880 ( -2.579 0.208 -6.572) 7.063 2.880 ( -2.579 0.208 6.572) 7.063 3.934 ( -2.502 -2.258 -0.783) 3.460 3.934 ( -2.502 -2.258 0.783) 3.460 4.280 ( 7.516 -2.333 -2.360) 8.216 4.280 ( 7.516 -2.333 2.360) 8.216 4.736 ( -5.824 -1.224 -4.704) 7.586 4.736 ( -5.824 -1.224 4.704) 7.586 4.893 ( 4.585 2.354 -8.372) 9.831 4.893 ( 4.585 2.354 8.372) 9.831 5.898 ( -2.108 12.214 -2.923) 12.734 5.898 ( -2.108 12.214 2.923) 12.734 6.334 ( 1.581 1.987 -4.130) 4.848 6.334 ( 1.581 1.987 4.130) 4.848 6.752 ( 3.306 -0.046 -7.049) 7.786 6.752 ( 3.306 -0.046 7.049) 7.786 7.159 ( 5.208 -3.742 -4.463) 7.813 7.159 ( 5.208 -3.742 4.463) 7.813 7.750 ( 4.718 -9.150 -1.889) 10.466 7.750 ( 4.718 -9.150 1.889) 10.466 8.323 ( -1.049 -2.991 -6.021) 6.804 8.323 ( -1.049 -2.991 6.021) 6.804 12.810 ( -1.499 1.890 -9.064) 9.380 12.810 ( -1.499 1.890 9.064) 9.380 14.641 ( -3.422 -2.900 -9.320) 10.343 14.641 ( -3.422 -2.900 9.320) 10.343 15.651 ( 11.196 -1.675 -16.044) 19.635 15.651 ( 11.196 -1.675 16.044) 19.635 16.995 ( -4.259 -1.185 -1.455) 4.654 16.995 ( -4.259 -1.185 1.455) 4.654 17.511 ( 2.763 -2.810 -9.707) 10.477 17.511 ( 2.763 -2.810 9.707) 10.477 19.047 ( -3.855 1.597 -21.726) 22.123 19.047 ( -3.855 1.597 21.726) 22.123 21.061 ( -1.890 7.300 -5.276) 9.203 21.061 ( -1.890 7.300 5.276) 9.203 22.515 ( -2.097 -4.482 -3.272) 5.932 22.515 ( -2.097 -4.482 3.272) 5.932 47.009 ( 0.299 2.711 -4.612) 5.358 47.009 ( 0.299 2.711 4.612) 5.358 47.623 ( -2.297 -1.726 -4.670) 5.483 47.623 ( -2.297 -1.726 4.670) 5.483 98.807 ( 0.696 0.135 -0.158) 0.727 98.807 ( 0.696 0.135 0.158) 0.727 99.214 ( -0.519 0.536 -0.766) 1.069 99.214 ( -0.519 0.536 0.766) 1.069 99.636 ( -4.706 -0.911 -2.300) 5.317 99.636 ( -4.706 -0.911 2.300) 5.317 100.071 ( 6.819 1.364 -6.948) 9.830 100.071 ( 6.819 1.364 6.948) 9.830 ======================= Grid point 247 (78/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -2.335 -6.060 -8.521) 10.714 1.432 ( -2.335 -6.060 8.521) 10.714 1.700 ( 3.385 -6.325 -9.772) 12.122 1.700 ( 3.385 -6.325 9.772) 12.122 2.242 ( 3.845 1.467 -3.166) 5.192 2.242 ( 3.845 1.467 3.166) 5.192 2.550 ( -3.500 2.373 -2.746) 5.042 2.550 ( -3.500 2.373 2.746) 5.042 2.638 ( 3.452 -2.109 -11.319) 12.021 2.638 ( 3.452 -2.109 11.319) 12.021 2.839 ( -2.808 -0.286 -4.968) 5.714 2.839 ( -2.808 -0.286 4.968) 5.714 3.948 ( -1.104 -3.291 -2.828) 4.477 3.948 ( -1.104 -3.291 2.828) 4.477 4.413 ( 6.344 -1.870 -4.462) 7.978 4.413 ( 6.344 -1.870 4.462) 7.978 4.724 ( -2.776 -6.179 -4.266) 8.005 4.724 ( -2.776 -6.179 4.266) 8.005 4.908 ( 4.063 3.376 -7.398) 9.090 4.908 ( 4.063 3.376 7.398) 9.090 5.708 ( 0.672 13.029 -4.187) 13.702 5.708 ( 0.672 13.029 4.187) 13.702 6.314 ( 1.440 3.699 -3.765) 5.471 6.314 ( 1.440 3.699 3.765) 5.471 6.778 ( 1.161 0.450 -7.155) 7.262 6.778 ( 1.161 0.450 7.155) 7.262 7.308 ( 8.715 -2.610 -9.354) 13.048 7.308 ( 8.715 -2.610 9.354) 13.048 7.920 ( 3.035 -5.031 -2.420) 6.355 7.920 ( 3.035 -5.031 2.420) 6.355 8.404 ( 0.299 -9.429 -5.160) 10.753 8.404 ( 0.299 -9.429 5.160) 10.753 12.755 ( -1.857 2.166 -11.565) 11.911 12.755 ( -1.857 2.166 11.565) 11.911 14.628 ( -4.630 -3.114 -6.889) 8.865 14.628 ( -4.630 -3.114 6.889) 8.865 15.877 ( 16.617 -1.429 -16.453) 23.428 15.877 ( 16.617 -1.429 16.453) 23.428 16.937 ( -7.931 -3.074 -3.361) 9.146 16.937 ( -7.931 -3.074 3.361) 9.146 17.631 ( 6.244 -5.136 -11.091) 13.725 17.631 ( 6.244 -5.136 11.091) 13.725 18.937 ( -7.160 3.051 -19.534) 21.027 18.937 ( -7.160 3.051 19.534) 21.027 20.918 ( -1.441 8.469 -10.882) 13.864 20.918 ( -1.441 8.469 10.882) 13.864 22.538 ( -3.894 -4.157 -8.107) 9.908 22.538 ( -3.894 -4.157 8.107) 9.908 46.976 ( 1.539 3.351 -5.875) 6.936 46.976 ( 1.539 3.351 5.875) 6.936 47.610 ( -3.795 -2.373 -4.090) 6.063 47.610 ( -3.795 -2.373 4.090) 6.063 98.815 ( 0.742 0.356 -0.175) 0.841 98.815 ( 0.742 0.356 0.175) 0.841 99.185 ( -1.760 1.403 -1.008) 2.466 99.185 ( -1.760 1.403 1.008) 2.466 99.587 ( -3.646 -0.995 -3.984) 5.491 99.587 ( -3.646 -0.995 3.984) 5.491 100.159 ( 7.541 0.855 -11.935) 14.144 100.159 ( 7.541 0.855 11.935) 14.144 ======================= Grid point 249 (79/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 2.231 -8.808 -7.201) 11.594 1.541 ( 2.231 -8.808 7.201) 11.594 1.860 ( 4.142 -8.415 -7.985) 12.318 1.860 ( 4.142 -8.415 7.985) 12.318 2.247 ( 1.344 3.937 -3.074) 5.173 2.247 ( 1.344 3.937 3.074) 5.173 2.432 ( -3.811 6.344 -0.583) 7.423 2.432 ( -3.811 6.344 0.583) 7.423 2.676 ( -1.743 -1.971 -2.652) 3.735 2.676 ( -1.743 -1.971 2.652) 3.735 2.822 ( -0.461 -0.042 -4.113) 4.139 2.822 ( -0.461 -0.042 4.113) 4.139 3.991 ( 0.954 -2.562 -5.333) 5.993 3.991 ( 0.954 -2.562 5.333) 5.993 4.534 ( 5.230 -5.116 -5.377) 9.079 4.534 ( 5.230 -5.116 5.377) 9.079 4.794 ( -1.768 -6.179 -1.407) 6.579 4.794 ( -1.768 -6.179 1.407) 6.579 4.930 ( 3.632 0.673 -7.572) 8.425 4.930 ( 3.632 0.673 7.572) 8.425 5.526 ( 0.296 14.026 -6.468) 15.448 5.526 ( 0.296 14.026 6.468) 15.448 6.278 ( 0.857 3.283 -3.423) 4.820 6.278 ( 0.857 3.283 3.423) 4.820 6.782 ( 0.133 0.111 -6.406) 6.408 6.782 ( 0.133 0.111 6.406) 6.408 7.444 ( 6.635 -0.687 -17.540) 18.766 7.444 ( 6.635 -0.687 17.540) 18.766 7.996 ( 2.530 -1.811 -5.433) 6.261 7.996 ( 2.530 -1.811 5.433) 6.261 8.554 ( 0.173 -9.292 -4.152) 10.179 8.554 ( 0.173 -9.292 4.152) 10.179 12.706 ( -1.354 1.433 -13.128) 13.275 12.706 ( -1.354 1.433 13.128) 13.275 14.604 ( -3.704 -1.924 -5.263) 6.718 14.604 ( -3.704 -1.924 5.263) 6.718 16.113 ( 15.351 0.535 -14.821) 21.345 16.113 ( 15.351 0.535 14.821) 21.345 16.874 ( -8.705 -4.628 -7.430) 12.345 16.874 ( -8.705 -4.628 7.430) 12.345 17.815 ( 8.261 -5.867 -12.221) 15.874 17.815 ( 8.261 -5.867 12.221) 15.874 18.772 ( -8.800 3.985 -16.286) 18.935 18.772 ( -8.800 3.985 16.286) 18.935 20.801 ( -0.346 5.935 -14.489) 15.661 20.801 ( -0.346 5.935 14.489) 15.661 22.527 ( -3.770 -2.109 -10.557) 11.407 22.527 ( -3.770 -2.109 10.557) 11.407 46.960 ( 2.194 2.513 -4.909) 5.935 46.960 ( 2.194 2.513 4.909) 5.935 47.588 ( -3.628 -1.995 -3.178) 5.220 47.588 ( -3.628 -1.995 3.178) 5.220 98.817 ( 0.409 0.417 -0.261) 0.639 98.817 ( 0.409 0.417 0.261) 0.639 99.132 ( -2.205 1.653 -0.794) 2.868 99.132 ( -2.205 1.653 0.794) 2.868 99.568 ( -1.324 -0.895 -3.372) 3.732 99.568 ( -1.324 -0.895 3.372) 3.732 100.242 ( 5.193 0.147 -13.798) 14.744 100.242 ( 5.193 0.147 13.798) 14.744 ======================= Grid point 251 (80/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 3.231 -5.722 -3.962) 7.673 1.701 ( 3.231 -5.722 3.962) 7.674 2.035 ( 3.245 -7.432 -2.332) 8.438 2.035 ( 3.245 -7.432 2.332) 8.438 2.175 ( -2.705 2.375 -1.492) 3.897 2.175 ( -2.705 2.375 1.492) 3.897 2.280 ( -1.930 8.443 -5.112) 10.057 2.280 ( -1.930 8.443 5.112) 10.057 2.679 ( -1.090 -1.418 -2.058) 2.727 2.679 ( -1.090 -1.418 2.058) 2.727 2.813 ( -0.169 0.466 -1.623) 1.698 2.813 ( -0.169 0.466 1.623) 1.698 4.032 ( 0.776 -0.932 -6.448) 6.561 4.032 ( 0.776 -0.932 6.448) 6.561 4.687 ( 4.304 -4.204 -7.779) 9.834 4.687 ( 4.304 -4.204 7.779) 9.834 4.843 ( -0.457 -3.618 -3.453) 5.022 4.843 ( -0.457 -3.618 3.453) 5.022 4.959 ( -0.899 -0.626 -7.282) 7.364 4.959 ( -0.899 -0.626 7.282) 7.364 5.345 ( -0.067 9.135 -6.131) 11.002 5.345 ( -0.067 9.135 6.131) 11.002 6.253 ( 0.299 1.203 -3.564) 3.774 6.253 ( 0.299 1.203 3.564) 3.774 6.781 ( -0.052 0.036 -6.133) 6.134 6.781 ( -0.052 0.036 6.133) 6.134 7.506 ( 2.002 0.104 -21.697) 21.790 7.506 ( 2.002 0.104 21.697) 21.790 8.050 ( 1.765 -0.813 -5.413) 5.751 8.050 ( 1.765 -0.813 5.413) 5.751 8.645 ( -0.298 -3.499 -3.340) 4.847 8.645 ( -0.298 -3.499 3.340) 4.847 12.679 ( -0.483 0.478 -13.779) 13.796 12.679 ( -0.483 0.478 13.779) 13.796 14.586 ( -1.398 -0.613 -4.543) 4.793 14.586 ( -1.398 -0.613 4.543) 4.793 16.260 ( 6.701 0.970 -11.971) 13.753 16.260 ( 6.701 0.970 11.971) 13.753 16.835 ( -4.226 -2.623 -11.633) 12.651 16.835 ( -4.226 -2.623 11.633) 12.651 17.989 ( 5.200 -3.352 -11.046) 12.660 17.989 ( 5.200 -3.352 11.046) 12.660 18.612 ( -5.392 2.613 -10.073) 11.720 18.612 ( -5.392 2.613 10.073) 11.720 20.742 ( 0.040 2.086 -16.145) 16.280 20.742 ( 0.040 2.086 16.145) 16.280 22.506 ( -1.546 -0.563 -11.175) 11.296 22.506 ( -1.546 -0.563 11.175) 11.296 46.960 ( 1.060 0.932 -2.454) 2.831 46.960 ( 1.060 0.932 2.454) 2.831 47.571 ( -1.522 -0.790 -1.903) 2.561 47.571 ( -1.522 -0.790 1.903) 2.561 98.816 ( 0.107 0.187 -0.388) 0.443 98.816 ( 0.107 0.187 0.388) 0.443 99.091 ( -0.955 0.718 -0.815) 1.446 99.091 ( -0.955 0.718 0.815) 1.446 99.568 ( -0.237 -0.368 -1.264) 1.338 99.568 ( -0.237 -0.368 1.264) 1.338 100.291 ( 1.812 -0.039 -14.140) 14.256 100.291 ( 1.812 -0.039 14.140) 14.256 ======================= Grid point 263 (81/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -3.788 0.000 -6.476) 7.503 1.348 ( -3.788 0.000 6.476) 7.503 1.600 ( 2.511 -0.000 -0.656) 2.595 1.600 ( 2.511 -0.000 0.656) 2.595 2.255 ( 4.363 -0.000 -3.699) 5.720 2.255 ( 4.363 -0.000 3.699) 5.720 2.554 ( 2.226 -0.000 -9.885) 10.132 2.554 ( 2.226 -0.000 9.885) 10.132 2.638 ( 2.697 -0.000 -9.572) 9.945 2.638 ( 2.697 -0.000 9.572) 9.945 2.833 ( -3.810 0.000 -6.470) 7.508 2.833 ( -3.810 0.000 6.470) 7.508 3.874 ( -2.870 0.000 -0.287) 2.884 3.874 ( -2.870 0.000 0.287) 2.884 4.401 ( 10.498 -0.000 -1.898) 10.669 4.401 ( 10.498 -0.000 1.898) 10.669 4.635 ( -6.560 0.000 -1.892) 6.827 4.635 ( -6.560 0.000 1.892) 6.827 4.976 ( 4.461 -0.000 -8.598) 9.687 4.976 ( 4.461 -0.000 8.598) 9.687 5.920 ( -5.166 0.000 -3.399) 6.184 5.920 ( -5.166 0.000 3.399) 6.184 6.373 ( 1.854 -0.000 -4.249) 4.635 6.373 ( 1.854 -0.000 4.249) 4.635 6.872 ( 7.941 -0.000 -6.901) 10.521 6.872 ( 7.941 -0.000 6.901) 10.521 7.207 ( 8.277 -0.000 -0.632) 8.301 7.207 ( 8.277 -0.000 0.632) 8.301 7.796 ( 10.430 -0.000 -3.328) 10.948 7.796 ( 10.430 -0.000 3.328) 10.948 8.276 ( -2.315 0.000 -5.263) 5.749 8.276 ( -2.315 0.000 5.263) 5.749 12.793 ( -2.667 0.000 -8.787) 9.183 12.793 ( -2.667 0.000 8.787) 9.183 14.569 ( -3.643 0.000 -9.079) 9.782 14.569 ( -3.643 0.000 9.079) 9.782 15.851 ( 18.386 -0.000 -16.751) 24.873 15.851 ( 18.386 -0.000 16.751) 24.873 16.887 ( -9.794 0.000 -1.740) 9.947 16.887 ( -9.794 0.000 1.740) 9.947 17.555 ( 6.666 -0.000 -10.287) 12.258 17.555 ( 6.666 -0.000 10.287) 12.258 18.983 ( -6.945 0.000 -20.111) 21.276 18.983 ( -6.945 0.000 20.111) 21.276 21.065 ( -4.811 0.000 -5.572) 7.362 21.065 ( -4.811 0.000 5.572) 7.362 22.450 ( -2.330 0.000 -2.387) 3.336 22.450 ( -2.330 0.000 2.387) 3.336 47.032 ( 0.323 -0.000 -4.112) 4.125 47.032 ( 0.323 -0.000 4.112) 4.125 47.570 ( -3.265 0.000 -4.551) 5.601 47.570 ( -3.265 0.000 4.551) 5.601 98.821 ( 0.891 -0.000 -0.174) 0.908 98.821 ( 0.891 -0.000 0.174) 0.908 99.204 ( -1.567 0.000 -0.824) 1.770 99.204 ( -1.567 0.000 0.824) 1.770 99.576 ( -2.699 0.000 -1.958) 3.334 99.576 ( -2.699 0.000 1.958) 3.334 100.176 ( 6.482 -0.000 -8.598) 10.767 100.176 ( 6.482 -0.000 8.598) 10.767 ======================= Grid point 265 (82/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 1.856 -3.533 -10.902) 11.610 1.354 ( 1.856 -3.533 10.902) 11.610 1.671 ( 3.453 -4.019 -6.608) 8.470 1.671 ( 3.453 -4.019 6.608) 8.470 2.316 ( 4.051 0.977 -4.312) 5.996 2.316 ( 4.051 0.977 4.312) 5.996 2.525 ( -3.101 0.524 -2.766) 4.188 2.525 ( -3.101 0.524 2.766) 4.188 2.678 ( 0.044 1.589 -5.938) 6.147 2.678 ( 0.044 1.589 5.938) 6.147 2.813 ( 1.980 -0.492 -8.107) 8.360 2.813 ( 1.980 -0.492 8.107) 8.360 3.868 ( -1.872 -3.853 -1.524) 4.547 3.868 ( -1.872 -3.853 1.524) 4.547 4.493 ( 2.922 2.079 -3.200) 4.806 4.493 ( 2.922 2.079 3.200) 4.806 4.620 ( 1.064 -5.263 -0.677) 5.412 4.620 ( 1.064 -5.263 0.677) 5.412 5.016 ( 4.415 2.735 -7.713) 9.298 5.016 ( 4.415 2.735 7.713) 9.298 5.820 ( -3.063 5.262 -5.482) 8.193 5.820 ( -3.063 5.262 5.482) 8.193 6.383 ( 1.410 2.129 -4.434) 5.117 6.383 ( 1.410 2.129 4.434) 5.117 6.894 ( 4.855 6.827 -5.682) 10.122 6.894 ( 4.855 6.827 5.682) 10.122 7.378 ( 8.870 -3.162 -12.981) 16.037 7.378 ( 8.870 -3.162 12.981) 16.037 7.966 ( 10.165 -0.881 -2.576) 10.524 7.966 ( 10.165 -0.881 2.576) 10.524 8.295 ( 0.150 -6.553 -1.522) 6.729 8.295 ( 0.150 -6.553 1.522) 6.729 12.746 ( -2.629 1.044 -10.539) 10.912 12.746 ( -2.629 1.044 10.539) 10.912 14.539 ( -2.735 -1.815 -7.786) 8.450 14.539 ( -2.735 -1.815 7.786) 8.450 16.125 ( 19.861 0.373 -16.124) 25.585 16.125 ( 19.861 0.373 16.124) 25.585 16.743 ( -13.124 -3.345 -3.570) 14.006 16.743 ( -13.124 -3.345 3.570) 14.006 17.691 ( 10.166 -2.389 -11.515) 15.545 17.691 ( 10.166 -2.389 11.515) 15.545 18.860 ( -8.790 1.763 -17.467) 19.633 18.860 ( -8.790 1.763 17.467) 19.633 20.956 ( -5.703 3.783 -10.187) 12.272 20.956 ( -5.703 3.783 10.187) 12.272 22.441 ( -2.351 -2.664 -5.662) 6.684 22.441 ( -2.351 -2.664 5.662) 6.684 47.022 ( -0.188 1.413 -3.556) 3.831 47.022 ( -0.188 1.413 3.556) 3.831 47.540 ( -2.040 -1.107 -3.041) 3.826 47.540 ( -2.040 -1.107 3.041) 3.826 98.828 ( 0.440 0.275 -0.114) 0.531 98.828 ( 0.440 0.275 0.114) 0.531 99.168 ( -2.834 0.703 -0.582) 2.977 99.168 ( -2.834 0.703 0.582) 2.977 99.561 ( 0.581 0.163 -3.336) 3.390 99.561 ( 0.581 0.163 3.336) 3.390 100.247 ( 4.071 0.154 -12.200) 12.862 100.247 ( 4.071 0.154 12.200) 12.862 ======================= Grid point 267 (83/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 7.819 -6.408 -9.087) 13.594 1.498 ( 7.819 -6.408 9.087) 13.594 1.803 ( 3.920 -6.994 -6.572) 10.367 1.803 ( 3.920 -6.994 6.572) 10.367 2.286 ( -3.303 3.818 -2.866) 5.805 2.286 ( -3.303 3.818 2.866) 5.805 2.497 ( 1.200 4.243 -2.972) 5.317 2.497 ( 1.200 4.243 2.972) 5.317 2.622 ( -2.955 -0.801 -2.512) 3.961 2.622 ( -2.955 -0.801 2.512) 3.961 2.852 ( 3.013 1.653 -5.457) 6.449 2.852 ( 3.013 1.653 5.457) 6.449 3.922 ( -1.209 -5.834 -3.433) 6.876 3.922 ( -1.209 -5.834 3.433) 6.876 4.523 ( 2.203 -3.566 -5.126) 6.621 4.523 ( 2.203 -3.566 5.126) 6.621 4.722 ( 2.372 -3.894 -3.651) 5.841 4.722 ( 2.372 -3.894 3.651) 5.841 5.026 ( 3.934 4.025 -6.076) 8.282 5.026 ( 3.934 4.025 6.076) 8.282 5.681 ( -2.616 9.193 -8.037) 12.488 5.681 ( -2.616 9.193 8.037) 12.488 6.348 ( 0.422 4.147 -4.152) 5.883 6.348 ( 0.422 4.147 4.152) 5.883 6.865 ( 4.444 5.880 -5.069) 8.945 6.865 ( 4.444 5.880 5.069) 8.945 7.476 ( 1.156 -0.979 -21.912) 21.964 7.476 ( 1.156 -0.979 21.912) 21.964 8.077 ( 7.718 2.132 -4.970) 9.424 8.077 ( 7.718 2.132 4.970) 9.424 8.460 ( 5.559 -8.883 -6.760) 12.470 8.460 ( 5.559 -8.883 6.760) 12.470 12.700 ( -1.789 0.880 -12.276) 12.437 12.700 ( -1.789 0.880 12.276) 12.437 14.540 ( -1.204 -2.107 -6.468) 6.908 14.540 ( -1.204 -2.107 6.468) 6.908 16.308 ( 6.022 2.779 -11.329) 13.127 16.308 ( 6.022 2.779 11.329) 13.127 16.686 ( -2.764 -7.173 -10.300) 12.852 16.686 ( -2.764 -7.173 10.300) 12.852 17.884 ( 10.871 -3.195 -12.420) 16.812 17.884 ( 10.871 -3.195 12.420) 16.812 18.703 ( -8.139 2.961 -13.708) 16.215 18.703 ( -8.139 2.961 13.708) 16.215 20.825 ( -5.646 3.167 -14.147) 15.558 20.825 ( -5.646 3.167 14.147) 15.558 22.451 ( -1.610 -2.702 -9.434) 9.945 22.451 ( -1.610 -2.702 9.434) 9.945 46.988 ( -2.158 0.940 -1.321) 2.699 46.988 ( -2.158 0.940 1.321) 2.699 47.547 ( 1.159 -0.773 -0.956) 1.689 47.547 ( 1.159 -0.773 0.956) 1.689 98.825 ( -0.116 0.396 -0.241) 0.478 98.825 ( -0.116 0.396 0.241) 0.478 99.116 ( -2.662 0.849 -0.560) 2.849 99.116 ( -2.662 0.849 0.560) 2.849 99.578 ( 2.512 0.873 -2.522) 3.665 99.578 ( 2.512 0.873 2.522) 3.665 100.285 ( 1.139 -0.323 -13.705) 13.756 100.285 ( 1.139 -0.323 13.705) 13.756 ======================= Grid point 269 (84/100) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 7.567 -4.749 -5.390) 10.434 1.702 ( 7.567 -4.749 5.390) 10.434 1.967 ( 3.884 -7.925 -2.262) 9.111 1.967 ( 3.884 -7.925 2.262) 9.111 2.174 ( -2.961 3.349 -1.158) 4.618 2.174 ( -2.961 3.349 1.158) 4.618 2.367 ( -4.494 8.632 -5.094) 10.984 2.367 ( -4.494 8.632 5.094) 10.984 2.662 ( 2.942 -2.087 -3.223) 4.837 2.662 ( 2.942 -2.087 3.223) 4.837 2.849 ( 1.645 2.588 -3.230) 4.454 2.849 ( 1.645 2.588 3.230) 4.454 3.973 ( -2.550 -4.580 -5.320) 7.468 3.973 ( -2.550 -4.580 5.320) 7.468 4.641 ( 1.484 -6.236 -9.033) 11.076 4.641 ( 1.484 -6.236 9.033) 11.076 4.803 ( 3.487 -3.789 -4.972) 7.158 4.803 ( 3.487 -3.789 4.972) 7.158 5.001 ( 1.324 4.784 -4.779) 6.890 5.001 ( 1.324 4.784 4.779) 6.890 5.489 ( -2.836 11.736 -9.521) 15.376 5.489 ( -2.836 11.736 9.521) 15.376 6.293 ( -0.132 3.479 -3.911) 5.236 6.293 ( -0.132 3.479 3.911) 5.236 6.851 ( 4.515 4.905 -5.453) 8.612 6.851 ( 4.515 4.905 5.453) 8.612 7.467 ( -4.147 -1.550 -22.253) 22.689 7.467 ( -4.147 -1.550 22.253) 22.689 8.117 ( 2.962 3.034 -6.651) 7.887 8.117 ( 2.962 3.034 6.651) 7.887 8.650 ( 8.534 -2.935 -10.633) 13.946 8.650 ( 8.534 -2.935 10.633) 13.946 12.675 ( -0.748 0.155 -13.366) 13.388 12.675 ( -0.748 0.155 13.366) 13.388 14.566 ( 1.045 -1.767 -5.433) 5.808 14.566 ( 1.045 -1.767 5.433) 5.808 16.238 ( -10.365 -0.632 -10.018) 14.429 16.238 ( -10.365 -0.632 10.018) 14.429 16.828 ( 9.169 -2.657 -12.567) 15.782 16.828 ( 9.169 -2.657 12.567) 15.782 18.033 ( 4.558 -0.230 -9.750) 10.765 18.033 ( 4.558 -0.230 9.750) 10.765 18.594 ( -0.991 1.242 -6.637) 6.824 18.594 ( -0.991 1.242 6.637) 6.824 20.719 ( -5.686 0.373 -16.026) 17.009 20.719 ( -5.686 0.373 16.026) 17.009 22.477 ( 0.425 -2.270 -12.305) 12.520 22.477 ( 0.425 -2.270 12.305) 12.520 46.940 ( -4.133 -0.468 -3.025) 5.143 46.940 ( -4.133 -0.468 3.025) 5.143 47.588 ( 4.134 0.422 -2.430) 4.814 47.588 ( 4.134 0.422 2.430) 4.814 98.817 ( -0.418 0.218 -0.365) 0.596 98.817 ( -0.418 0.218 0.365) 0.596 99.081 ( -1.153 0.018 -0.878) 1.449 99.081 ( -1.153 0.018 0.878) 1.449 99.600 ( 3.197 1.740 -0.620) 3.692 99.600 ( 3.197 1.740 0.620) 3.692 100.285 ( -2.052 -0.458 -13.766) 13.926 100.285 ( -2.052 -0.458 13.766) 13.926 ======================= Grid point 271 (85/100) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.063 4.812 -2.398) 5.481 1.765 ( 1.063 4.812 2.398) 5.481 2.050 ( -2.633 -0.664 -4.613) 5.353 2.050 ( -2.633 -0.664 4.613) 5.353 2.175 ( -3.271 4.452 -4.934) 7.407 2.175 ( -3.271 4.452 4.934) 7.407 2.239 ( 6.346 -5.100 -3.303) 8.786 2.239 ( 6.346 -5.100 3.303) 8.786 2.722 ( 3.348 0.282 -2.449) 4.157 2.722 ( 3.348 0.282 2.449) 4.157 2.839 ( 1.548 1.716 -1.433) 2.719 2.839 ( 1.548 1.716 1.433) 2.719 3.979 ( -3.966 -2.825 -6.472) 8.100 3.979 ( -3.966 -2.825 6.472) 8.100 4.652 ( -4.723 1.029 -6.409) 8.028 4.652 ( -4.723 1.029 6.409) 8.028 4.901 ( 2.211 3.275 -3.678) 5.398 4.901 ( 2.211 3.275 3.678) 5.398 4.994 ( 4.026 -3.396 -2.448) 5.808 4.994 ( 4.026 -3.396 2.448) 5.808 5.306 ( -2.732 6.412 -6.760) 9.710 5.306 ( -2.732 6.412 6.760) 9.710 6.255 ( -0.194 1.457 -3.430) 3.732 6.255 ( -0.194 1.457 3.430) 3.732 6.848 ( 4.580 4.460 -6.428) 9.065 6.848 ( 4.580 4.460 6.428) 9.065 7.416 ( -6.814 -1.934 -19.226) 20.489 7.416 ( -6.814 -1.934 19.226) 20.489 8.079 ( -0.872 3.521 -8.244) 9.007 8.079 ( -0.872 3.521 8.244) 9.007 8.754 ( 7.562 4.517 -11.682) 14.631 8.754 ( 7.562 4.517 11.682) 14.631 12.675 ( 0.162 -0.703 -13.893) 13.911 12.675 ( 0.162 -0.703 13.893) 13.911 14.618 ( 3.476 -1.031 -4.716) 5.948 14.618 ( 3.476 -1.031 4.716) 5.948 16.083 ( -14.237 -1.810 -12.823) 19.245 16.083 ( -14.237 -1.810 12.823) 19.245 16.963 ( 8.680 1.456 -9.674) 13.079 16.963 ( 8.680 1.456 9.674) 13.079 17.986 ( -4.406 5.385 -10.434) 12.541 17.986 ( -4.406 5.385 10.434) 12.541 18.667 ( 8.128 -2.773 -12.874) 15.476 18.667 ( 8.128 -2.773 12.874) 15.476 20.664 ( -5.195 -3.426 -16.187) 17.342 20.664 ( -5.195 -3.426 16.187) 17.342 22.529 ( 2.759 -1.804 -14.476) 14.847 22.529 ( 2.759 -1.804 14.476) 14.847 46.895 ( -4.560 -1.965 -5.569) 7.461 46.895 ( -4.560 -1.965 5.569) 7.461 47.641 ( 5.284 1.633 -3.734) 6.674 47.641 ( 5.284 1.633 3.734) 6.674 98.809 ( -0.507 -0.098 -0.336) 0.617 98.809 ( -0.507 -0.098 0.336) 0.617 99.087 ( 0.626 -1.333 -1.021) 1.792 99.087 ( 0.626 -1.333 1.021) 1.792 99.617 ( 3.762 2.475 -2.107) 4.971 99.617 ( 3.762 2.475 2.107) 4.971 100.238 ( -5.367 -0.182 -13.458) 14.490 100.238 ( -5.367 -0.182 13.458) 14.490 ======================= Grid point 273 (86/100) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 1.089 9.123 -4.756) 10.345 1.665 ( 1.089 9.123 4.756) 10.345 1.914 ( -5.080 7.894 -7.274) 11.876 1.914 ( -5.080 7.894 7.274) 11.876 2.153 ( -2.706 -4.220 -4.249) 6.572 2.153 ( -2.706 -4.220 4.249) 6.572 2.427 ( 6.868 -5.251 -3.280) 9.247 2.427 ( 6.868 -5.251 3.280) 9.247 2.736 ( 1.709 3.199 -4.377) 5.684 2.736 ( 1.709 3.199 4.377) 5.684 2.845 ( 1.603 0.428 -1.991) 2.592 2.845 ( 1.603 0.428 1.991) 2.592 3.960 ( -3.227 -2.225 -6.517) 7.605 3.960 ( -3.227 -2.225 6.517) 7.605 4.528 ( -5.410 4.785 -5.594) 9.136 4.528 ( -5.410 4.785 5.594) 9.136 4.866 ( 0.588 2.628 -3.856) 4.703 4.866 ( 0.588 2.628 3.856) 4.703 4.982 ( 0.132 9.364 -9.456) 13.309 4.982 ( 0.132 9.364 9.456) 13.309 5.330 ( -0.615 -10.788 -5.206) 11.994 5.330 ( -0.615 -10.788 5.206) 11.994 6.247 ( -0.021 -0.542 -3.149) 3.195 6.247 ( -0.021 -0.542 3.149) 3.195 6.848 ( 4.433 4.474 -7.949) 10.142 6.848 ( 4.433 4.474 7.949) 10.142 7.327 ( -8.738 -0.743 -13.425) 16.035 7.327 ( -8.738 -0.743 13.425) 16.035 8.018 ( -1.013 2.694 -7.831) 8.343 8.018 ( -1.013 2.694 7.831) 8.343 8.723 ( 3.886 10.982 -11.230) 16.180 8.723 ( 3.886 10.982 11.230) 16.180 12.698 ( 0.739 -1.608 -13.842) 13.955 12.698 ( 0.739 -1.608 13.842) 13.955 14.684 ( 5.005 0.311 -4.472) 6.719 14.684 ( 5.005 0.311 4.472) 6.719 15.900 ( -14.057 -0.306 -15.481) 20.913 15.900 ( -14.057 -0.306 15.481) 20.913 17.030 ( 5.997 3.071 -5.875) 8.940 17.030 ( 5.997 3.071 5.875) 8.940 17.819 ( -5.002 7.463 -11.605) 14.677 17.819 ( -5.002 7.463 11.605) 14.677 18.834 ( 7.994 -3.620 -18.202) 20.207 18.834 ( 7.994 -3.620 18.202) 20.207 20.680 ( -3.448 -7.416 -15.254) 17.308 20.680 ( -3.448 -7.416 15.254) 17.308 22.595 ( 3.892 -0.556 -15.671) 16.157 22.595 ( 3.892 -0.556 15.671) 16.157 46.876 ( -3.374 -3.302 -7.195) 8.606 46.876 ( -3.374 -3.302 7.195) 8.606 47.682 ( 4.594 2.472 -4.252) 6.731 47.682 ( 4.594 2.472 4.252) 6.731 98.805 ( -0.551 -0.281 -0.238) 0.663 98.805 ( -0.551 -0.281 0.238) 0.663 99.130 ( 1.495 -2.242 -1.249) 2.970 99.130 ( 1.495 -2.242 1.249) 2.970 99.640 ( 5.206 2.725 -4.389) 7.334 99.640 ( 5.206 2.725 4.389) 7.334 100.144 ( -8.258 -0.086 -13.104) 15.489 100.144 ( -8.258 -0.086 13.104) 15.489 ======================= Grid point 275 (87/100) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 2.638 7.842 -8.800) 12.079 1.568 ( 2.638 7.842 8.800) 12.079 1.747 ( -3.421 6.799 -12.122) 14.313 1.747 ( -3.421 6.799 12.122) 14.313 2.170 ( -2.081 -2.826 -4.007) 5.326 2.170 ( -2.081 -2.826 4.007) 5.326 2.557 ( 3.223 -3.204 -3.504) 5.738 2.557 ( 3.223 -3.204 3.504) 5.738 2.670 ( -1.162 6.346 -12.063) 13.680 2.670 ( -1.162 6.346 12.063) 13.680 2.870 ( 1.608 -0.476 -4.563) 4.862 2.870 ( 1.608 -0.476 4.563) 4.862 3.964 ( -0.524 -1.817 -4.897) 5.250 3.964 ( -0.524 -1.817 4.897) 5.250 4.394 ( -3.682 5.139 -6.116) 8.796 4.394 ( -3.682 5.139 6.116) 8.796 4.827 ( -1.848 2.765 -5.984) 6.846 4.827 ( -1.848 2.765 5.984) 6.846 4.866 ( 1.393 5.386 -6.248) 8.366 4.866 ( 1.393 5.386 6.248) 8.366 5.488 ( -1.544 -13.195 -4.771) 14.115 5.488 ( -1.544 -13.195 4.771) 14.115 6.265 ( -0.092 -1.855 -3.445) 3.913 6.265 ( -0.092 -1.855 3.445) 3.913 6.837 ( 3.172 5.030 -10.110) 11.729 6.837 ( 3.172 5.030 10.110) 11.729 7.212 ( -7.151 0.275 -6.024) 9.354 7.212 ( -7.151 0.275 6.024) 9.354 7.972 ( -0.263 3.540 -6.257) 7.194 7.972 ( -0.263 3.540 6.257) 7.194 8.570 ( 0.675 13.733 -10.100) 17.061 8.570 ( 0.675 13.733 10.100) 17.061 12.739 ( 0.770 -2.493 -13.000) 13.259 12.739 ( 0.770 -2.493 13.000) 13.259 14.734 ( 4.131 2.258 -5.391) 7.158 14.734 ( 4.131 2.258 5.391) 7.158 15.716 ( -9.783 2.050 -16.547) 19.331 15.716 ( -9.783 2.050 16.547) 19.331 17.052 ( 3.146 2.643 -2.738) 4.938 17.052 ( 3.146 2.643 2.738) 4.938 17.659 ( -2.667 7.186 -10.919) 13.341 17.659 ( -2.667 7.186 10.919) 13.341 18.971 ( 4.285 -3.335 -20.696) 21.397 18.971 ( 4.285 -3.335 20.696) 21.397 20.778 ( -1.057 -10.555 -13.300) 17.012 20.778 ( -1.057 -10.555 13.300) 17.012 22.636 ( 2.824 2.053 -14.671) 15.080 22.636 ( 2.824 2.053 14.671) 15.080 46.897 ( -1.425 -4.338 -7.622) 8.884 46.897 ( -1.425 -4.338 7.622) 8.884 47.694 ( 2.607 2.856 -4.333) 5.808 47.694 ( 2.607 2.856 4.333) 5.808 98.801 ( -0.464 -0.249 -0.176) 0.555 98.801 ( -0.464 -0.249 0.176) 0.555 99.179 ( 0.897 -1.954 -1.448) 2.592 99.179 ( 0.897 -1.954 1.448) 2.592 99.687 ( 6.549 2.636 -4.822) 8.549 99.687 ( 6.549 2.636 4.822) 8.549 100.027 ( -8.752 -1.035 -12.541) 15.328 100.027 ( -8.752 -1.035 12.541) 15.328 ======================= Grid point 277 (88/100) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 4.689 -15.049) 15.762 1.503 ( 0.000 4.689 15.049) 15.762 1.638 ( 0.000 4.954 -18.074) 18.741 1.638 ( 0.000 4.954 18.074) 18.741 2.183 ( -0.000 -1.292 -3.336) 3.577 2.183 ( -0.000 -1.292 3.336) 3.577 2.552 ( 0.000 7.339 -19.557) 20.889 2.552 ( 0.000 7.339 19.557) 20.889 2.617 ( -0.000 -2.274 -2.941) 3.718 2.617 ( -0.000 -2.274 2.941) 3.718 2.892 ( -0.000 -0.619 -6.095) 6.126 2.892 ( -0.000 -0.619 6.095) 6.126 3.976 ( 0.000 0.574 -2.737) 2.796 3.976 ( 0.000 0.574 2.737) 2.796 4.286 ( 0.000 5.417 -4.819) 7.250 4.286 ( 0.000 5.417 4.819) 7.250 4.808 ( -0.000 -1.589 -9.089) 9.227 4.808 ( -0.000 -1.589 9.089) 9.227 4.820 ( 0.000 2.597 -5.903) 6.449 4.820 ( 0.000 2.597 5.903) 6.449 5.683 ( -0.000 -16.246 -4.299) 16.805 5.683 ( -0.000 -16.246 4.299) 16.805 6.292 ( -0.000 -2.178 -3.700) 4.294 6.292 ( -0.000 -2.178 3.700) 4.294 6.786 ( 0.000 4.827 -9.479) 10.637 6.786 ( 0.000 4.827 9.479) 10.637 7.151 ( 0.000 1.121 -3.798) 3.960 7.151 ( 0.000 1.121 3.798) 3.960 7.876 ( 0.000 9.890 -3.896) 10.630 7.876 ( 0.000 9.890 3.896) 10.630 8.405 ( 0.000 8.623 -8.033) 11.785 8.405 ( 0.000 8.623 8.033) 11.785 12.784 ( -0.000 -2.869 -11.191) 11.553 12.784 ( -0.000 -2.869 11.191) 11.553 14.720 ( 0.000 3.845 -7.676) 8.585 14.720 ( 0.000 3.845 7.676) 8.585 15.605 ( 0.000 2.877 -16.094) 16.349 15.605 ( 0.000 2.877 16.094) 16.349 17.043 ( 0.000 1.796 -1.320) 2.229 17.043 ( 0.000 1.796 1.320) 2.229 17.551 ( 0.000 5.335 -9.948) 11.289 17.551 ( 0.000 5.335 9.948) 11.289 19.044 ( -0.000 -2.707 -21.907) 22.074 19.044 ( -0.000 -2.707 21.907) 22.074 20.932 ( -0.000 -11.296 -9.570) 14.805 20.932 ( -0.000 -11.296 9.570) 14.805 22.605 ( 0.000 4.939 -10.057) 11.204 22.605 ( 0.000 4.939 10.057) 11.204 46.953 ( -0.000 -4.437 -6.541) 7.904 46.953 ( -0.000 -4.437 6.541) 7.904 47.672 ( 0.000 2.714 -4.387) 5.158 47.672 ( 0.000 2.714 4.387) 5.158 98.800 ( -0.000 -0.154 -0.151) 0.216 98.800 ( -0.000 -0.154 0.151) 0.216 99.206 ( -0.000 -1.091 -1.119) 1.563 99.206 ( -0.000 -1.091 1.119) 1.563 99.706 ( 0.000 2.640 -4.145) 4.915 99.706 ( 0.000 2.640 4.145) 4.915 99.981 ( -0.000 -2.579 -11.028) 11.325 99.981 ( -0.000 -2.579 11.028) 11.325 ======================= Grid point 283 (89/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 8.731 -0.000 -11.683) 14.585 1.402 ( 8.731 -0.000 11.683) 14.585 1.694 ( 4.283 -0.000 -6.944) 8.159 1.694 ( 4.283 -0.000 6.944) 8.159 2.351 ( -2.017 0.000 -6.562) 6.865 2.351 ( -2.017 0.000 6.562) 6.865 2.507 ( 1.988 -0.000 -4.585) 4.998 2.507 ( 1.988 -0.000 4.585) 4.998 2.650 ( -4.385 0.000 -0.475) 4.410 2.650 ( -4.385 0.000 0.475) 4.410 2.881 ( 5.647 -0.000 -6.939) 8.946 2.881 ( 5.647 -0.000 6.939) 8.946 3.815 ( -1.218 0.000 -1.492) 1.926 3.815 ( -1.218 0.000 1.492) 1.926 4.496 ( -1.839 0.000 -1.257) 2.227 4.496 ( -1.839 0.000 1.257) 2.227 4.652 ( 6.264 -0.000 -6.407) 8.960 4.652 ( 6.264 -0.000 6.407) 8.960 5.097 ( 4.348 -0.000 -7.013) 8.251 5.097 ( 4.348 -0.000 7.013) 8.251 5.805 ( -3.679 0.000 -6.291) 7.288 5.805 ( -3.679 0.000 6.291) 7.288 6.409 ( 0.223 -0.000 -4.740) 4.746 6.409 ( 0.223 -0.000 4.740) 4.746 6.989 ( 1.595 -0.000 -0.386) 1.641 6.989 ( 1.595 -0.000 0.386) 1.641 7.486 ( 7.007 -0.000 -16.246) 17.692 7.486 ( 7.007 -0.000 16.246) 17.692 8.132 ( 8.671 -0.000 -3.282) 9.271 8.132 ( 8.671 -0.000 3.282) 9.271 8.265 ( 8.245 -0.000 -10.257) 13.160 8.265 ( 8.245 -0.000 10.257) 13.160 12.716 ( -2.550 0.000 -10.796) 11.093 12.716 ( -2.550 0.000 10.796) 11.093 14.503 ( -0.744 0.000 -7.903) 7.938 14.503 ( -0.744 0.000 7.903) 7.938 16.397 ( 10.468 -0.000 -8.707) 13.616 16.397 ( 10.468 -0.000 8.707) 13.616 16.521 ( -6.983 0.000 -3.360) 7.749 16.521 ( -6.983 0.000 3.360) 7.749 17.836 ( 12.566 -0.000 -12.153) 17.481 17.836 ( 12.566 -0.000 12.153) 17.481 18.749 ( -8.631 0.000 -14.521) 16.893 18.749 ( -8.631 0.000 14.521) 16.893 20.879 ( -8.552 0.000 -12.439) 15.096 20.879 ( -8.552 0.000 12.439) 15.096 22.402 ( -0.759 0.000 -8.999) 9.031 22.402 ( -0.759 0.000 8.999) 9.031 47.004 ( -3.730 0.000 -0.140) 3.733 47.004 ( -3.730 0.000 0.140) 3.733 47.535 ( 2.452 -0.000 -0.211) 2.461 47.535 ( 2.452 -0.000 0.211) 2.461 98.832 ( -0.199 0.000 -0.062) 0.209 98.832 ( -0.199 0.000 0.062) 0.209 99.129 ( -3.272 0.000 -0.073) 3.272 99.129 ( -3.272 0.000 0.073) 3.272 99.595 ( 3.576 -0.000 -2.682) 4.470 99.595 ( 3.576 -0.000 2.682) 4.470 100.279 ( 0.612 -0.000 -12.909) 12.924 100.279 ( 0.612 -0.000 12.909) 12.924 ======================= Grid point 285 (90/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 11.045 -2.938 -9.572) 14.908 1.572 ( 11.045 -2.938 9.572) 14.908 1.795 ( 6.852 -3.421 -7.105) 10.446 1.795 ( 6.852 -3.421 7.105) 10.446 2.272 ( -5.022 2.425 -5.360) 7.735 2.272 ( -5.022 2.425 5.360) 7.735 2.526 ( -4.096 1.384 -4.096) 5.955 2.526 ( -4.096 1.384 4.096) 5.955 2.616 ( 3.883 -0.010 -2.682) 4.719 2.616 ( 3.883 -0.010 2.682) 4.719 2.925 ( 2.542 2.032 -2.744) 4.257 2.925 ( 2.542 2.032 2.744) 4.257 3.833 ( -0.603 -3.647 -2.400) 4.408 3.833 ( -0.603 -3.647 2.400) 4.408 4.509 ( 2.310 -2.103 -3.108) 4.406 4.509 ( 2.310 -2.103 3.108) 4.406 4.737 ( 4.279 -1.255 -8.055) 9.207 4.737 ( 4.279 -1.255 8.055) 9.207 5.131 ( 3.410 3.011 -5.905) 7.454 5.131 ( 3.410 3.011 5.905) 7.454 5.721 ( -4.624 3.925 -8.105) 10.123 5.721 ( -4.624 3.925 8.105) 10.123 6.386 ( -1.373 2.023 -4.643) 5.248 6.386 ( -1.373 2.023 4.643) 5.248 6.990 ( 2.775 2.814 -2.326) 4.585 6.990 ( 2.775 2.814 2.326) 4.585 7.500 ( -0.623 3.740 -21.737) 22.065 7.500 ( -0.623 3.740 21.737) 22.065 8.165 ( 0.292 -0.109 -8.056) 8.062 8.165 ( 0.292 -0.109 8.056) 8.062 8.531 ( 19.360 -3.561 -18.238) 26.835 8.531 ( 19.360 -3.561 18.238) 26.835 12.683 ( -1.799 0.237 -11.823) 11.962 12.683 ( -1.799 0.237 11.823) 11.962 14.514 ( 0.971 -1.285 -7.514) 7.685 14.514 ( 0.971 -1.285 7.514) 7.685 16.226 ( -16.897 -0.213 -6.024) 17.940 16.226 ( -16.897 -0.213 6.024) 17.940 16.737 ( 16.770 -2.523 -14.015) 22.000 16.737 ( 16.770 -2.523 14.015) 22.000 18.012 ( 10.529 -0.664 -11.073) 15.294 18.012 ( 10.529 -0.664 11.073) 15.294 18.640 ( -4.574 1.232 -9.207) 10.354 18.640 ( -4.574 1.232 9.207) 10.354 20.742 ( -9.660 0.746 -14.873) 17.751 20.742 ( -9.660 0.746 14.873) 17.751 22.411 ( 0.235 -1.640 -12.709) 12.817 22.411 ( 0.235 -1.640 12.709) 12.817 46.932 ( -6.074 -0.104 -3.247) 6.888 46.932 ( -6.074 -0.104 3.247) 6.888 47.595 ( 5.794 0.103 -2.522) 6.320 47.595 ( 5.794 0.103 2.522) 6.320 98.824 ( -0.675 0.201 -0.201) 0.733 98.824 ( -0.675 0.201 0.201) 0.733 99.085 ( -2.605 0.141 -0.772) 2.721 99.085 ( -2.605 0.141 0.772) 2.721 99.648 ( 4.859 1.178 -1.464) 5.210 99.648 ( 4.859 1.178 1.464) 5.210 100.271 ( -2.143 -0.397 -13.088) 13.268 100.271 ( -2.143 -0.397 13.088) 13.268 ======================= Grid point 287 (91/100) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 5.685 -4.120 -6.127) 9.318 1.744 ( 5.685 -4.120 6.127) 9.318 1.965 ( 8.453 -2.841 -4.018) 9.781 1.965 ( 8.453 -2.841 4.018) 9.781 2.187 ( -0.518 1.688 -2.345) 2.936 2.187 ( -0.518 1.688 2.345) 2.936 2.388 ( -6.624 5.795 -1.214) 8.885 2.388 ( -6.624 5.795 1.214) 8.885 2.699 ( 4.890 -1.216 -3.070) 5.900 2.699 ( 4.890 -1.216 3.070) 5.900 2.908 ( 0.617 2.653 -3.142) 4.158 2.908 ( 0.617 2.653 3.142) 4.158 3.874 ( -1.769 -3.699 -3.862) 5.632 3.874 ( -1.769 -3.699 3.862) 5.632 4.601 ( 3.126 -3.308 -5.844) 7.407 4.601 ( 3.126 -3.308 5.844) 7.407 4.818 ( 4.837 -2.608 -7.058) 8.945 4.818 ( 4.837 -2.608 7.058) 8.945 5.100 ( 1.351 5.849 -4.498) 7.502 5.100 ( 1.351 5.849 4.498) 7.502 5.567 ( -5.650 7.297 -10.108) 13.687 5.567 ( -5.650 7.297 10.108) 13.687 6.327 ( -1.737 2.751 -4.405) 5.477 6.327 ( -1.737 2.751 4.405) 5.477 6.994 ( 4.663 4.048 -3.191) 6.951 6.994 ( 4.663 4.048 3.191) 6.951 7.410 ( -4.164 3.007 -21.205) 21.818 7.410 ( -4.164 3.007 21.205) 21.818 8.150 ( -2.211 0.750 -8.264) 8.588 8.150 ( -2.211 0.750 8.264) 8.588 8.817 ( 17.168 0.411 -19.008) 25.617 8.817 ( 17.168 0.411 19.008) 25.617 12.663 ( -0.860 -0.188 -12.866) 12.896 12.663 ( -0.860 -0.188 12.866) 12.896 14.564 ( 2.722 -2.145 -6.932) 7.750 14.564 ( 2.722 -2.145 6.932) 7.750 16.014 ( -16.350 -2.597 -8.618) 18.664 16.014 ( -16.350 -2.597 8.618) 18.664 16.967 ( 12.553 -0.731 -11.266) 16.883 16.967 ( 12.553 -0.731 11.266) 16.883 18.092 ( 1.244 2.087 -5.832) 6.318 18.092 ( 1.244 2.087 5.832) 6.318 18.632 ( 5.652 0.063 -6.033) 8.267 18.632 ( 5.652 0.063 6.033) 8.267 20.606 ( -9.568 -0.869 -15.752) 18.450 20.606 ( -9.568 -0.869 15.752) 18.450 22.454 ( 1.365 -2.780 -15.706) 16.009 22.454 ( 1.365 -2.780 15.706) 16.009 46.853 ( -6.161 -0.999 -5.651) 8.420 46.853 ( -6.161 -0.999 5.651) 8.420 47.677 ( 6.518 0.863 -3.985) 7.688 47.677 ( 6.518 0.863 3.985) 7.688 98.811 ( -0.778 0.150 -0.258) 0.833 98.811 ( -0.778 0.150 0.258) 0.833 99.060 ( -1.190 -0.562 -1.273) 1.831 99.060 ( -1.190 -0.562 1.273) 1.831 99.692 ( 5.329 2.444 -0.815) 5.919 99.692 ( 5.329 2.444 0.815) 5.919 100.230 ( -4.635 -0.381 -12.535) 13.370 100.230 ( -4.635 -0.381 12.535) 13.370 ======================= Grid point 289 (92/100) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 2.302 -0.295 -1.992) 3.059 1.834 ( 2.302 -0.295 1.992) 3.059 2.008 ( -0.725 1.338 -2.532) 2.954 2.008 ( -0.725 1.338 2.532) 2.954 2.192 ( -6.196 6.263 -3.859) 9.618 2.192 ( -6.196 6.263 3.859) 9.618 2.298 ( 9.549 -2.766 -3.147) 10.427 2.298 ( 9.549 -2.766 3.147) 10.427 2.768 ( 2.896 -0.598 -2.192) 3.681 2.768 ( 2.896 -0.598 2.192) 3.681 2.883 ( 0.624 1.871 -3.733) 4.222 2.883 ( 0.624 1.871 3.733) 4.222 3.883 ( -2.987 -2.423 -5.469) 6.686 3.883 ( -2.987 -2.423 5.469) 6.686 4.624 ( -1.543 1.915 -6.080) 6.558 4.624 ( -1.543 1.915 6.080) 6.558 4.968 ( 6.500 -5.672 -3.284) 9.230 4.968 ( 6.500 -5.672 3.284) 9.230 5.022 ( 1.057 6.151 -4.674) 7.797 5.022 ( 1.057 6.151 4.674) 7.797 5.372 ( -5.535 8.648 -10.180) 14.459 5.372 ( -5.535 8.648 10.180) 14.459 6.273 ( -1.013 1.894 -3.614) 4.204 6.273 ( -1.013 1.894 3.614) 4.204 7.001 ( 5.819 5.245 -5.300) 9.458 7.001 ( 5.819 5.245 5.300) 9.458 7.313 ( -5.831 1.045 -17.807) 18.766 7.313 ( -5.831 1.045 17.807) 18.766 8.088 ( -3.320 1.959 -8.695) 9.511 8.088 ( -3.320 1.959 8.695) 9.511 8.970 ( 11.298 6.206 -18.540) 22.581 8.970 ( 11.298 6.206 18.540) 22.581 12.664 ( -0.111 -0.845 -13.664) 13.691 12.664 ( -0.111 -0.845 13.664) 13.691 14.646 ( 4.065 -2.512 -6.253) 7.870 14.646 ( 4.065 -2.512 6.253) 7.870 15.847 ( -13.697 -3.181 -12.019) 18.498 15.847 ( -13.697 -3.181 12.019) 18.498 17.098 ( 7.359 1.617 -8.001) 10.990 17.098 ( 7.359 1.617 8.001) 10.990 18.012 ( -3.239 5.506 -9.463) 11.417 18.012 ( -3.239 5.506 9.463) 11.417 18.760 ( 9.336 -1.348 -15.980) 18.556 18.760 ( 9.336 -1.348 15.980) 18.556 20.517 ( -7.645 -3.970 -15.407) 17.651 20.517 ( -7.645 -3.970 15.407) 17.651 22.526 ( 2.273 -3.596 -18.022) 18.517 22.526 ( 2.273 -3.596 18.022) 18.517 46.798 ( -4.648 -2.113 -7.279) 8.891 46.798 ( -4.648 -2.113 7.279) 8.891 47.742 ( 5.294 1.710 -4.578) 7.205 47.742 ( 5.294 1.710 4.578) 7.205 98.800 ( -0.613 -0.050 -0.227) 0.656 98.800 ( -0.613 -0.050 0.227) 0.656 99.071 ( 0.205 -1.765 -1.561) 2.365 99.071 ( 0.205 -1.765 1.561) 2.365 99.730 ( 6.054 3.222 -3.470) 7.685 99.730 ( 6.054 3.222 3.470) 7.685 100.149 ( -7.137 0.311 -11.730) 13.734 100.149 ( -7.137 0.311 11.730) 13.734 ======================= Grid point 291 (93/100) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 3.116 7.366 -2.793) 8.472 1.815 ( 3.116 7.366 2.793) 8.472 1.936 ( -4.984 5.104 -2.259) 7.483 1.936 ( -4.984 5.104 2.259) 7.483 2.079 ( -1.856 -1.104 -0.885) 2.334 2.079 ( -1.856 -1.104 0.885) 2.334 2.460 ( 5.915 -3.194 -4.287) 7.973 2.460 ( 5.915 -3.194 4.287) 7.973 2.794 ( 1.035 1.041 -3.035) 3.372 2.794 ( 1.035 1.041 3.035) 3.372 2.870 ( 0.576 1.225 -5.579) 5.741 2.870 ( 0.576 1.225 5.579) 5.741 3.877 ( -2.332 -2.653 -6.362) 7.277 3.877 ( -2.332 -2.653 6.362) 7.277 4.537 ( -2.566 4.857 -6.202) 8.285 4.537 ( -2.566 4.857 6.202) 8.285 4.946 ( 1.267 5.828 -4.534) 7.492 4.946 ( 1.267 5.828 4.534) 7.492 5.093 ( 1.714 4.018 -10.386) 11.268 5.093 ( 1.714 4.018 10.386) 11.268 5.227 ( -1.905 -1.830 -6.114) 6.660 5.227 ( -1.905 -1.830 6.114) 6.660 6.248 ( -0.199 0.529 -2.980) 3.034 6.248 ( -0.199 0.529 2.980) 3.034 7.005 ( 6.122 6.221 -9.719) 13.063 7.005 ( 6.122 6.221 9.719) 13.063 7.212 ( -7.014 0.475 -11.321) 13.326 7.212 ( -7.014 0.475 11.321) 13.326 8.024 ( -1.837 1.400 -8.181) 8.501 8.024 ( -1.837 1.400 8.181) 8.501 8.952 ( 4.637 11.649 -16.824) 20.982 8.952 ( 4.637 11.649 16.824) 20.982 12.682 ( 0.217 -1.506 -14.077) 14.159 12.682 ( 0.217 -1.506 14.077) 14.159 14.736 ( 3.601 -1.956 -5.380) 6.763 14.736 ( 3.601 -1.956 5.380) 6.763 15.726 ( -8.565 -1.678 -15.132) 17.469 15.726 ( -8.565 -1.678 15.132) 17.469 17.134 ( 3.032 2.965 -5.084) 6.620 17.134 ( 3.032 2.965 5.084) 6.620 17.878 ( -2.197 7.457 -11.157) 13.598 17.878 ( -2.197 7.457 11.157) 13.598 18.890 ( 5.456 -1.864 -19.887) 20.706 18.890 ( 5.456 -1.864 19.887) 20.706 20.518 ( -3.761 -7.435 -14.966) 17.129 20.518 ( -3.761 -7.435 14.966) 17.129 22.608 ( 2.000 -3.374 -19.394) 19.787 22.608 ( 2.000 -3.374 19.394) 19.787 46.788 ( -2.303 -3.231 -8.260) 9.163 46.788 ( -2.303 -3.231 8.260) 9.163 47.771 ( 2.892 2.382 -4.690) 6.003 47.771 ( 2.892 2.382 4.690) 6.003 98.795 ( -0.352 -0.175 -0.193) 0.438 98.795 ( -0.352 -0.175 0.193) 0.438 99.110 ( 0.664 -2.630 -1.771) 3.239 99.110 ( 0.664 -2.630 1.771) 3.239 99.776 ( 7.558 3.373 -5.811) 10.113 99.776 ( 7.558 3.373 5.811) 10.113 100.026 ( -9.018 0.864 -11.367) 14.536 100.026 ( -9.018 0.864 11.367) 14.536 ======================= Grid point 293 (94/100) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 9.776 -9.340) 13.520 1.717 ( 0.000 9.776 9.340) 13.520 1.808 ( 0.000 6.028 -11.840) 13.286 1.808 ( 0.000 6.028 11.840) 13.286 2.109 ( -0.000 -3.590 -3.886) 5.291 2.109 ( -0.000 -3.590 3.886) 5.291 2.541 ( -0.000 -2.770 -4.827) 5.566 2.541 ( -0.000 -2.770 4.827) 5.566 2.754 ( 0.000 5.352 -8.265) 9.846 2.754 ( 0.000 5.352 8.265) 9.846 2.871 ( -0.000 -0.588 -5.302) 5.335 2.871 ( -0.000 -0.588 5.302) 5.335 3.908 ( -0.000 -4.008 -6.045) 7.253 3.908 ( -0.000 -4.008 6.045) 7.253 4.444 ( 0.000 5.267 -6.876) 8.661 4.444 ( 0.000 5.267 6.876) 8.661 4.872 ( 0.000 5.594 -7.015) 8.972 4.872 ( 0.000 5.594 7.015) 8.972 4.979 ( 0.000 8.303 -11.218) 13.957 4.979 ( 0.000 8.303 11.218) 13.957 5.322 ( -0.000 -9.130 -6.398) 11.149 5.322 ( -0.000 -9.130 6.398) 11.149 6.248 ( -0.000 -0.640 -3.204) 3.267 6.248 ( -0.000 -0.640 3.204) 3.267 6.960 ( 0.000 7.289 -14.428) 16.164 6.960 ( 0.000 7.289 14.428) 16.164 7.150 ( -0.000 -0.622 -3.739) 3.791 7.150 ( -0.000 -0.622 3.739) 3.791 7.998 ( 0.000 1.052 -7.332) 7.407 7.998 ( 0.000 1.052 7.332) 7.407 8.788 ( 0.000 14.893 -13.985) 20.430 8.788 ( 0.000 14.893 13.985) 20.430 12.710 ( -0.000 -2.118 -13.905) 14.065 12.710 ( -0.000 -2.118 13.905) 14.065 14.781 ( -0.000 -0.150 -4.610) 4.613 14.781 ( -0.000 -0.150 4.610) 4.613 15.669 ( 0.000 0.769 -16.617) 16.635 15.669 ( 0.000 0.769 16.617) 16.635 17.111 ( 0.000 2.932 -3.223) 4.357 17.111 ( 0.000 2.932 3.223) 4.357 17.751 ( 0.000 8.041 -11.154) 13.750 17.751 ( 0.000 8.041 11.154) 13.750 18.959 ( -0.000 -2.663 -20.932) 21.100 18.959 ( -0.000 -2.663 20.932) 21.100 20.619 ( -0.000 -9.901 -14.661) 17.691 20.619 ( -0.000 -9.901 14.661) 17.691 22.660 ( -0.000 -1.349 -18.720) 18.769 22.660 ( -0.000 -1.349 18.720) 18.769 46.825 ( -0.000 -4.129 -8.455) 9.410 46.825 ( -0.000 -4.129 8.455) 9.410 47.754 ( 0.000 2.782 -4.550) 5.333 47.754 ( 0.000 2.782 4.550) 5.333 98.795 ( -0.000 -0.195 -0.178) 0.264 98.795 ( -0.000 -0.195 0.178) 0.264 99.153 ( -0.000 -2.544 -1.796) 3.114 99.153 ( -0.000 -2.544 1.796) 3.114 99.808 ( 0.000 4.306 -4.342) 6.116 99.808 ( 0.000 4.306 4.342) 6.116 99.927 ( -0.000 -0.898 -13.807) 13.836 99.927 ( -0.000 -0.898 13.807) 13.836 ======================= Grid point 303 (95/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 5.677 -0.000 -5.781) 8.103 1.670 ( 5.677 -0.000 5.781) 8.103 1.923 ( 14.097 -0.000 -5.213) 15.030 1.923 ( 14.097 -0.000 5.213) 15.030 2.224 ( -3.804 0.000 -4.976) 6.263 2.224 ( -3.804 0.000 4.976) 6.263 2.465 ( -5.712 0.000 -1.953) 6.037 2.465 ( -5.712 0.000 1.953) 6.037 2.681 ( 4.817 -0.000 -2.629) 5.488 2.681 ( 4.817 -0.000 2.629) 5.488 2.955 ( -0.484 0.000 -2.161) 2.215 2.955 ( -0.484 0.000 2.161) 2.215 3.814 ( 1.144 -0.000 -2.113) 2.403 3.814 ( 1.144 -0.000 2.113) 2.403 4.544 ( 5.056 -0.000 -0.050) 5.056 4.544 ( 5.056 -0.000 0.050) 5.056 4.790 ( 4.406 -0.000 -9.013) 10.032 4.790 ( 4.406 -0.000 9.013) 10.032 5.194 ( 2.161 -0.000 -6.439) 6.792 5.194 ( 2.161 -0.000 6.439) 6.792 5.669 ( -6.774 0.000 -9.343) 11.540 5.669 ( -6.774 0.000 9.343) 11.540 6.370 ( -2.733 0.000 -4.959) 5.662 6.370 ( -2.733 0.000 4.959) 5.662 7.037 ( 2.412 -0.000 -3.526) 4.272 7.037 ( 2.412 -0.000 3.526) 4.272 7.510 ( -3.199 0.000 -19.416) 19.678 7.510 ( -3.199 0.000 19.416) 19.678 8.139 ( -2.042 0.000 -7.195) 7.479 8.139 ( -2.042 0.000 7.195) 7.479 8.816 ( 22.003 -0.000 -21.565) 30.809 8.816 ( 22.003 -0.000 21.565) 30.809 12.661 ( -1.369 0.000 -11.977) 12.055 12.661 ( -1.369 0.000 11.977) 12.055 14.529 ( 2.417 -0.000 -8.253) 8.599 14.529 ( 2.417 -0.000 8.253) 8.599 15.970 ( -17.815 0.000 -5.933) 18.777 15.970 ( -17.815 0.000 5.933) 18.777 16.952 ( 14.945 -0.000 -12.014) 19.175 16.952 ( 14.945 -0.000 12.014) 19.175 18.118 ( 4.069 -0.000 -4.334) 5.945 18.118 ( 4.069 -0.000 4.334) 5.945 18.640 ( 4.184 -0.000 -1.022) 4.307 18.640 ( 4.184 -0.000 1.022) 4.307 20.597 ( -11.356 0.000 -15.326) 19.075 20.597 ( -11.356 0.000 15.326) 19.075 22.408 ( 0.960 -0.000 -15.884) 15.913 22.408 ( 0.960 -0.000 15.884) 15.913 46.838 ( -6.742 0.000 -5.629) 8.783 46.838 ( -6.742 0.000 5.629) 8.783 47.689 ( 6.990 -0.000 -4.009) 8.058 47.689 ( 6.990 -0.000 4.009) 8.058 98.814 ( -0.941 0.000 -0.124) 0.949 98.814 ( -0.941 0.000 0.124) 0.949 99.053 ( -1.984 0.000 -1.383) 2.418 99.053 ( -1.984 0.000 1.383) 2.418 99.732 ( 5.709 -0.000 -0.080) 5.710 99.732 ( 5.709 -0.000 0.080) 5.710 100.223 ( -4.145 0.000 -12.124) 12.813 100.223 ( -4.145 0.000 12.124) 12.813 ======================= Grid point 305 (96/100) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 2.401 -2.725 -3.353) 4.943 1.743 ( 2.401 -2.725 3.353) 4.943 2.091 ( 6.951 2.291 -1.523) 7.476 2.091 ( 6.951 2.291 1.523) 7.476 2.210 ( 4.136 -1.118 -1.051) 4.411 2.210 ( 4.136 -1.118 1.051) 4.411 2.370 ( -4.304 2.898 -0.983) 5.281 2.370 ( -4.304 2.898 0.983) 5.281 2.742 ( 2.966 -0.740 -3.649) 4.760 2.742 ( 2.966 -0.740 3.649) 4.760 2.927 ( -1.701 0.961 -4.937) 5.309 2.927 ( -1.701 0.961 4.937) 5.309 3.840 ( 1.045 -0.626 -2.492) 2.774 3.840 ( 1.045 -0.626 2.492) 2.774 4.634 ( 5.485 -0.769 -3.678) 6.649 4.634 ( 5.485 -0.769 3.678) 6.649 4.859 ( 4.786 -1.271 -6.857) 8.458 4.859 ( 4.786 -1.271 6.857) 8.458 5.186 ( 0.756 3.671 -6.730) 7.703 5.186 ( 0.756 3.671 6.730) 7.703 5.542 ( -8.052 2.888 -11.428) 14.275 5.542 ( -8.052 2.888 11.428) 14.275 6.322 ( -2.589 1.102 -5.252) 5.959 6.322 ( -2.589 1.102 5.252) 5.959 7.074 ( 3.247 0.359 -4.542) 5.595 7.074 ( 3.247 0.359 4.542) 5.595 7.422 ( -3.691 4.471 -17.539) 18.473 7.422 ( -3.691 4.471 17.539) 18.473 8.111 ( -2.678 -0.152 -8.112) 8.544 8.111 ( -2.678 -0.152 8.112) 8.544 9.080 ( 16.511 1.771 -23.076) 28.430 9.080 ( 16.511 1.771 23.076) 28.430 12.648 ( -0.729 -0.290 -12.528) 12.552 12.648 ( -0.729 -0.290 12.528) 12.552 14.580 ( 3.228 -1.550 -8.676) 9.386 14.580 ( 3.228 -1.550 8.676) 9.386 15.759 ( -14.435 -2.156 -7.493) 16.406 15.759 ( -14.435 -2.156 7.493) 16.406 17.124 ( 9.748 0.335 -9.286) 13.467 17.124 ( 9.748 0.335 9.286) 13.467 18.116 ( -1.716 1.797 -5.073) 5.649 18.116 ( -1.716 1.797 5.073) 5.649 18.749 ( 10.214 0.127 -13.164) 16.663 18.749 ( 10.214 0.127 13.164) 16.663 20.448 ( -10.448 -1.094 -14.606) 17.992 20.448 ( -10.448 -1.094 14.606) 17.992 22.437 ( 1.205 -1.942 -18.115) 18.259 22.437 ( 1.205 -1.942 18.115) 18.259 46.758 ( -5.300 -0.717 -7.113) 8.900 46.758 ( -5.300 -0.717 7.113) 8.900 47.776 ( 5.738 0.605 -4.687) 7.434 47.776 ( 5.738 0.605 4.687) 7.434 98.800 ( -0.818 0.038 -0.097) 0.825 98.800 ( -0.818 0.038 0.097) 0.825 99.036 ( -0.972 -0.634 -1.954) 2.273 99.036 ( -0.972 -0.634 1.954) 2.273 99.801 ( 5.933 1.487 -2.417) 6.577 99.801 ( 5.933 1.487 2.417) 6.577 100.156 ( -5.537 0.116 -10.743) 12.086 100.156 ( -5.537 0.116 10.743) 12.086 ======================= Grid point 307 (97/100) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.809 -3.887 -2.212) 4.545 1.813 ( 0.809 -3.887 2.212) 4.545 2.080 ( 2.336 4.882 -0.692) 5.456 2.080 ( 2.336 4.882 0.692) 5.456 2.189 ( -5.208 4.906 -1.927) 7.410 2.189 ( -5.208 4.906 1.927) 7.410 2.394 ( 7.396 -1.251 -2.498) 7.906 2.394 ( 7.396 -1.251 2.498) 7.906 2.776 ( 0.162 -1.026 -1.825) 2.100 2.776 ( 0.162 -1.026 1.825) 2.100 2.902 ( -0.205 0.394 -5.681) 5.698 2.902 ( -0.205 0.394 5.681) 5.698 3.848 ( -0.192 0.341 -3.845) 3.865 3.848 ( -0.192 0.341 3.845) 3.865 4.664 ( 1.180 3.527 -5.790) 6.882 4.664 ( 1.180 3.527 5.790) 6.882 4.968 ( 4.102 -4.039 -4.714) 7.440 4.968 ( 4.102 -4.039 4.714) 7.440 5.137 ( 2.531 4.877 -7.553) 9.340 5.137 ( 2.531 4.877 7.553) 9.340 5.378 ( -7.013 5.124 -12.544) 15.258 5.378 ( -7.013 5.124 12.544) 15.258 6.278 ( -1.252 1.196 -4.700) 5.008 6.278 ( -1.252 1.196 4.700) 5.008 7.111 ( 3.183 0.883 -5.416) 6.344 7.111 ( 3.183 0.883 5.416) 6.344 7.304 ( -2.805 5.601 -16.135) 17.309 7.304 ( -2.805 5.601 16.135) 17.309 8.065 ( -2.387 1.274 -8.780) 9.187 8.065 ( -2.387 1.274 8.780) 9.187 9.200 ( 8.075 5.742 -22.888) 24.941 9.200 ( 8.075 5.742 22.888) 24.941 12.650 ( -0.193 -0.806 -13.216) 13.242 12.650 ( -0.193 -0.806 13.216) 13.242 14.656 ( 2.753 -2.917 -8.613) 9.502 14.656 ( 2.753 -2.917 8.613) 9.502 15.639 ( -8.439 -3.558 -10.485) 13.922 15.639 ( -8.439 -3.558 10.485) 13.922 17.205 ( 4.245 1.811 -6.806) 8.223 17.205 ( 4.245 1.811 6.806) 8.223 18.046 ( -1.743 4.064 -9.322) 10.318 18.046 ( -1.743 4.064 9.322) 10.318 18.874 ( 7.112 0.416 -19.465) 20.728 18.874 ( 7.112 0.416 19.465) 20.728 20.362 ( -6.158 -3.617 -13.544) 15.312 20.362 ( -6.158 -3.617 13.544) 15.312 22.494 ( 1.033 -3.742 -19.693) 20.072 22.494 ( 1.033 -3.742 19.693) 20.072 46.718 ( -2.789 -1.661 -8.038) 8.669 46.718 ( -2.789 -1.661 8.038) 8.669 47.824 ( 3.135 1.337 -4.927) 5.991 47.824 ( 3.135 1.337 4.927) 5.991 98.792 ( -0.430 -0.061 -0.151) 0.459 98.792 ( -0.430 -0.061 0.151) 0.459 99.045 ( -0.105 -1.716 -2.223) 2.811 99.045 ( -0.105 -1.716 2.223) 2.811 99.859 ( 6.510 2.206 -5.541) 8.829 99.859 ( 6.510 2.206 5.541) 8.829 100.061 ( -6.864 1.272 -9.011) 11.398 100.061 ( -6.864 1.272 9.011) 11.398 ======================= Grid point 309 (98/100) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -0.000 -2.894 -1.511) 3.264 1.871 ( -0.000 -2.894 1.511) 3.264 2.006 ( 0.000 9.599 -5.059) 10.851 2.006 ( 0.000 9.599 5.059) 10.851 2.075 ( 0.000 2.667 -2.929) 3.961 2.075 ( 0.000 2.667 2.929) 3.961 2.473 ( -0.000 -1.885 -3.796) 4.239 2.473 ( -0.000 -1.885 3.796) 4.239 2.791 ( -0.000 -1.284 -0.633) 1.432 2.791 ( -0.000 -1.284 0.633) 1.432 2.895 ( 0.000 1.133 -5.940) 6.047 2.895 ( 0.000 1.133 5.940) 6.047 3.840 ( -0.000 -0.337 -5.395) 5.406 3.840 ( -0.000 -0.337 5.395) 5.406 4.597 ( 0.000 5.554 -6.092) 8.244 4.597 ( 0.000 5.554 6.092) 8.244 5.014 ( 0.000 1.643 -2.208) 2.753 5.014 ( 0.000 1.643 2.208) 2.753 5.153 ( -0.000 -1.673 -8.596) 8.758 5.153 ( -0.000 -1.673 8.596) 8.758 5.222 ( 0.000 7.636 -15.404) 17.193 5.222 ( 0.000 7.636 15.404) 17.193 6.255 ( 0.000 0.882 -3.501) 3.610 6.255 ( 0.000 0.882 3.501) 3.610 7.136 ( -0.000 -0.194 -6.356) 6.359 7.136 ( -0.000 -0.194 6.356) 6.359 7.182 ( 0.000 7.739 -16.114) 17.876 7.182 ( 0.000 7.739 16.114) 17.876 8.027 ( 0.000 1.374 -8.511) 8.621 8.027 ( 0.000 1.374 8.511) 8.621 9.143 ( 0.000 9.604 -20.745) 22.860 9.143 ( 0.000 9.604 20.745) 22.860 12.664 ( -0.000 -1.239 -13.811) 13.867 12.664 ( -0.000 -1.239 13.811) 13.867 14.723 ( -0.000 -3.255 -7.479) 8.157 14.723 ( -0.000 -3.255 7.479) 8.157 15.629 ( -0.000 -3.238 -13.540) 13.921 15.629 ( -0.000 -3.238 13.540) 13.921 17.198 ( 0.000 2.881 -5.405) 6.125 17.198 ( 0.000 2.881 5.405) 6.125 17.961 ( 0.000 6.104 -10.779) 12.388 17.961 ( 0.000 6.104 10.779) 12.388 18.919 ( -0.000 -0.025 -20.980) 20.980 18.919 ( -0.000 -0.025 20.980) 20.980 20.390 ( -0.000 -6.160 -13.806) 15.118 20.390 ( -0.000 -6.160 13.806) 15.118 22.563 ( -0.000 -4.497 -20.439) 20.928 22.563 ( -0.000 -4.497 20.439) 20.928 46.729 ( -0.000 -2.584 -8.461) 8.846 46.729 ( -0.000 -2.584 8.461) 8.846 47.823 ( 0.000 1.971 -4.903) 5.284 47.823 ( 0.000 1.971 4.903) 5.284 98.790 ( -0.000 -0.136 -0.173) 0.220 98.790 ( -0.000 -0.136 0.173) 0.220 99.077 ( -0.000 -2.537 -2.144) 3.322 99.077 ( -0.000 -2.537 2.144) 3.322 99.926 ( 0.000 0.520 -11.244) 11.256 99.926 ( 0.000 0.520 11.244) 11.256 99.932 ( 0.000 4.086 -5.052) 6.498 99.932 ( 0.000 4.086 5.052) 6.498 ======================= Grid point 323 (99/100) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 1.129 -0.000 -2.443) 2.691 1.748 ( 1.129 -0.000 2.443) 2.691 2.154 ( 1.021 -0.000 -0.507) 1.140 2.154 ( 1.021 -0.000 0.507) 1.140 2.256 ( -0.147 0.000 -0.654) 0.670 2.256 ( -0.147 0.000 0.654) 0.670 2.385 ( 4.780 -0.000 -0.941) 4.872 2.385 ( 4.780 -0.000 0.941) 4.872 2.760 ( 0.482 -0.000 -3.208) 3.244 2.760 ( 0.482 -0.000 3.208) 3.244 2.903 ( -1.777 0.000 -6.489) 6.728 2.903 ( -1.777 0.000 6.489) 6.728 3.861 ( 1.520 -0.000 -1.323) 2.015 3.861 ( 1.520 -0.000 1.323) 2.015 4.711 ( 4.938 -0.000 -4.720) 6.831 4.711 ( 4.938 -0.000 4.720) 6.831 4.909 ( 3.647 -0.000 -3.726) 5.214 4.909 ( 3.647 -0.000 3.726) 5.214 5.216 ( -0.065 0.000 -8.790) 8.791 5.216 ( -0.065 0.000 8.790) 8.791 5.449 ( -7.094 0.000 -14.364) 16.020 5.449 ( -7.094 0.000 14.364) 16.020 6.297 ( -1.782 0.000 -6.198) 6.449 6.297 ( -1.782 0.000 6.198) 6.449 7.116 ( 2.567 -0.000 -6.830) 7.296 7.116 ( 2.567 -0.000 6.830) 7.296 7.404 ( -3.175 0.000 -15.616) 15.936 7.404 ( -3.175 0.000 15.616) 15.936 8.084 ( -1.332 0.000 -9.003) 9.101 8.084 ( -1.332 0.000 9.003) 9.101 9.280 ( 9.447 -0.000 -25.222) 26.933 9.280 ( 9.447 -0.000 25.222) 26.933 12.638 ( -0.381 0.000 -12.491) 12.497 12.638 ( -0.381 0.000 12.491) 12.497 14.608 ( 2.397 -0.000 -10.124) 10.404 14.608 ( 2.397 -0.000 10.124) 10.404 15.579 ( -8.538 0.000 -7.497) 11.362 15.579 ( -8.538 0.000 7.497) 11.362 17.231 ( 4.996 -0.000 -7.310) 8.854 17.231 ( 4.996 -0.000 7.310) 8.854 18.104 ( -1.572 0.000 -7.937) 8.091 18.104 ( -1.572 0.000 7.937) 8.091 18.885 ( 7.934 -0.000 -19.230) 20.803 18.885 ( 7.934 -0.000 19.230) 20.803 20.311 ( -7.245 0.000 -12.694) 14.617 20.311 ( -7.245 0.000 12.694) 14.617 22.436 ( 0.685 -0.000 -19.328) 19.340 22.436 ( 0.685 -0.000 19.328) 19.340 46.694 ( -2.950 0.000 -7.897) 8.430 46.694 ( -2.950 0.000 7.897) 8.430 47.844 ( 3.236 -0.000 -4.986) 5.944 47.844 ( 3.236 -0.000 4.986) 5.944 98.791 ( -0.509 0.000 -0.106) 0.520 98.791 ( -0.509 0.000 0.106) 0.520 99.020 ( -0.484 0.000 -2.513) 2.559 99.020 ( -0.484 0.000 2.513) 2.559 99.892 ( 5.434 -0.000 -4.885) 7.307 99.892 ( 5.434 -0.000 4.885) 7.307 100.082 ( -5.307 0.000 -8.438) 9.968 100.082 ( -5.307 0.000 8.438) 9.968 ======================= Grid point 325 (100/100) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -0.000 -2.364 -2.227) 3.248 1.773 ( -0.000 -2.364 2.227) 3.248 2.152 ( 0.000 1.631 -1.893) 2.498 2.152 ( 0.000 1.631 1.893) 2.498 2.211 ( 0.000 4.102 -2.855) 4.998 2.211 ( 0.000 4.102 2.855) 4.998 2.438 ( -0.000 -0.586 -1.355) 1.476 2.438 ( -0.000 -0.586 1.355) 1.476 2.762 ( -0.000 -0.417 -1.826) 1.873 2.762 ( -0.000 -0.417 1.826) 1.873 2.896 ( -0.000 -0.584 -6.158) 6.185 2.896 ( -0.000 -0.584 6.158) 6.185 3.864 ( 0.000 1.099 -2.045) 2.321 3.864 ( 0.000 1.099 2.045) 2.321 4.727 ( 0.000 2.808 -5.955) 6.584 4.727 ( 0.000 2.808 5.955) 6.584 4.956 ( -0.000 -2.353 -2.332) 3.313 4.956 ( -0.000 -2.353 2.332) 3.313 5.202 ( 0.000 1.847 -10.068) 10.236 5.202 ( 0.000 1.847 10.068) 10.236 5.374 ( 0.000 2.796 -16.072) 16.313 5.374 ( 0.000 2.796 16.072) 16.313 6.280 ( 0.000 0.586 -6.027) 6.055 6.280 ( 0.000 0.586 6.027) 6.055 7.136 ( 0.000 0.045 -7.857) 7.857 7.136 ( 0.000 0.045 7.857) 7.857 7.354 ( 0.000 3.569 -15.614) 16.016 7.354 ( 0.000 3.569 15.614) 16.016 8.067 ( 0.000 1.030 -9.328) 9.385 8.067 ( 0.000 1.030 9.328) 9.385 9.324 ( 0.000 3.167 -25.208) 25.406 9.324 ( 0.000 3.167 25.208) 25.406 12.639 ( -0.000 -0.481 -12.758) 12.767 12.639 ( -0.000 -0.481 12.758) 12.767 14.640 ( -0.000 -1.863 -10.295) 10.462 14.640 ( -0.000 -1.863 10.295) 10.462 15.535 ( -0.000 -2.316 -8.804) 9.103 15.535 ( -0.000 -2.316 8.804) 9.103 17.258 ( 0.000 1.110 -6.359) 6.456 17.258 ( 0.000 1.110 6.359) 6.456 18.078 ( 0.000 2.056 -9.323) 9.547 18.078 ( 0.000 2.056 9.323) 9.547 18.938 ( 0.000 0.756 -21.447) 21.461 18.938 ( 0.000 0.756 21.447) 21.461 20.272 ( -0.000 -2.082 -11.952) 12.132 20.272 ( -0.000 -2.081 11.952) 12.132 22.457 ( -0.000 -2.254 -19.876) 20.003 22.457 ( -0.000 -2.254 19.876) 20.003 46.680 ( -0.000 -0.876 -8.202) 8.249 46.680 ( -0.000 -0.876 8.202) 8.249 47.861 ( 0.000 0.712 -5.052) 5.101 47.861 ( 0.000 0.712 5.052) 5.102 98.788 ( -0.000 -0.045 -0.156) 0.162 98.788 ( -0.000 -0.045 0.156) 0.162 99.024 ( -0.000 -1.001 -2.618) 2.803 99.024 ( -0.000 -1.001 2.618) 2.803 99.941 ( 0.000 0.356 -8.127) 8.135 99.941 ( 0.000 0.356 8.127) 8.135 100.019 ( 0.000 1.700 -5.805) 6.049 100.019 ( 0.000 1.700 5.805) 6.049 =================== 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 3/29160 10.0 71.968 89.190 68.017 0.000 0.000 -0.000 3/29160 20.0 15.305 18.801 15.286 0.000 0.000 -0.000 3/29160 30.0 7.335 9.123 7.617 0.000 0.000 -0.000 3/29160 40.0 4.312 5.392 4.598 0.000 0.000 -0.000 3/29160 50.0 2.880 3.612 3.131 0.000 0.000 -0.000 3/29160 60.0 2.107 2.649 2.330 0.000 0.000 -0.000 3/29160 70.0 1.645 2.072 1.847 0.000 0.000 -0.000 3/29160 80.0 1.346 1.697 1.533 0.000 0.000 -0.000 3/29160 90.0 1.141 1.438 1.316 0.000 0.000 -0.000 3/29160 100.0 0.993 1.248 1.157 0.000 0.000 -0.000 3/29160 110.0 0.882 1.105 1.038 0.000 0.000 -0.000 3/29160 120.0 0.796 0.992 0.944 0.000 0.000 -0.000 3/29160 130.0 0.727 0.901 0.869 0.000 0.000 -0.000 3/29160 140.0 0.671 0.826 0.807 0.000 0.000 -0.000 3/29160 150.0 0.625 0.763 0.756 0.000 0.000 -0.000 3/29160 160.0 0.586 0.709 0.712 0.000 0.000 -0.000 3/29160 170.0 0.552 0.663 0.674 0.000 0.000 -0.000 3/29160 180.0 0.523 0.623 0.641 0.000 0.000 -0.000 3/29160 190.0 0.498 0.588 0.612 0.000 0.000 -0.000 3/29160 200.0 0.475 0.556 0.586 0.000 0.000 -0.000 3/29160 210.0 0.455 0.528 0.562 0.000 0.000 -0.000 3/29160 220.0 0.436 0.503 0.541 0.000 0.000 -0.000 3/29160 230.0 0.419 0.480 0.521 0.000 0.000 -0.000 3/29160 240.0 0.404 0.459 0.503 0.000 0.000 -0.000 3/29160 250.0 0.390 0.440 0.487 0.000 0.000 -0.000 3/29160 260.0 0.377 0.423 0.472 0.000 0.000 -0.000 3/29160 270.0 0.365 0.407 0.457 0.000 0.000 -0.000 3/29160 280.0 0.354 0.392 0.444 0.000 0.000 -0.000 3/29160 290.0 0.344 0.379 0.432 0.000 0.000 -0.000 3/29160 300.0 0.334 0.366 0.420 0.000 0.000 -0.000 3/29160 310.0 0.325 0.354 0.409 0.000 0.000 -0.000 3/29160 320.0 0.317 0.343 0.399 0.000 0.000 -0.000 3/29160 330.0 0.309 0.333 0.389 0.000 0.000 -0.000 3/29160 340.0 0.302 0.323 0.380 0.000 0.000 -0.000 3/29160 350.0 0.295 0.314 0.371 0.000 0.000 -0.000 3/29160 360.0 0.288 0.305 0.363 0.000 0.000 -0.000 3/29160 370.0 0.282 0.297 0.355 0.000 0.000 -0.000 3/29160 380.0 0.277 0.289 0.348 0.000 0.000 -0.000 3/29160 390.0 0.271 0.282 0.341 0.000 0.000 -0.000 3/29160 400.0 0.266 0.275 0.334 0.000 0.000 -0.000 3/29160 410.0 0.261 0.269 0.328 0.000 0.000 -0.000 3/29160 420.0 0.257 0.262 0.322 0.000 0.000 -0.000 3/29160 430.0 0.252 0.256 0.316 0.000 0.000 -0.000 3/29160 440.0 0.248 0.251 0.311 0.000 0.000 -0.000 3/29160 450.0 0.244 0.245 0.305 0.000 0.000 -0.000 3/29160 460.0 0.241 0.240 0.300 0.000 0.000 -0.000 3/29160 470.0 0.237 0.235 0.295 0.000 0.000 -0.000 3/29160 480.0 0.234 0.231 0.291 0.000 0.000 -0.000 3/29160 490.0 0.230 0.226 0.286 0.000 0.000 -0.000 3/29160 500.0 0.227 0.222 0.282 0.000 0.000 -0.000 3/29160 510.0 0.224 0.218 0.278 0.000 0.000 -0.000 3/29160 520.0 0.222 0.214 0.274 0.000 0.000 -0.000 3/29160 530.0 0.219 0.210 0.270 0.000 0.000 -0.000 3/29160 540.0 0.216 0.206 0.267 0.000 0.000 -0.000 3/29160 550.0 0.214 0.203 0.263 0.000 0.000 -0.000 3/29160 560.0 0.212 0.199 0.260 0.000 0.000 -0.000 3/29160 570.0 0.209 0.196 0.256 0.000 0.000 -0.000 3/29160 580.0 0.207 0.193 0.253 0.000 0.000 -0.000 3/29160 590.0 0.205 0.190 0.250 0.000 0.000 -0.000 3/29160 600.0 0.203 0.187 0.247 0.000 0.000 -0.000 3/29160 610.0 0.201 0.184 0.244 0.000 0.000 -0.000 3/29160 620.0 0.199 0.181 0.241 0.000 0.000 -0.000 3/29160 630.0 0.197 0.178 0.239 0.000 0.000 -0.000 3/29160 640.0 0.196 0.176 0.236 0.000 0.000 -0.000 3/29160 650.0 0.194 0.173 0.234 0.000 0.000 -0.000 3/29160 660.0 0.192 0.171 0.231 0.000 0.000 -0.000 3/29160 670.0 0.191 0.169 0.229 0.000 0.000 -0.000 3/29160 680.0 0.189 0.166 0.226 0.000 0.000 -0.000 3/29160 690.0 0.188 0.164 0.224 0.000 0.000 -0.000 3/29160 700.0 0.186 0.162 0.222 0.000 0.000 -0.000 3/29160 710.0 0.185 0.160 0.220 0.000 0.000 -0.000 3/29160 720.0 0.183 0.158 0.218 0.000 0.000 -0.000 3/29160 730.0 0.182 0.156 0.216 0.000 0.000 -0.000 3/29160 740.0 0.181 0.154 0.214 0.000 0.000 -0.000 3/29160 750.0 0.179 0.152 0.212 0.000 0.000 -0.000 3/29160 760.0 0.178 0.150 0.210 0.000 0.000 -0.000 3/29160 770.0 0.177 0.148 0.208 0.000 0.000 -0.000 3/29160 780.0 0.176 0.147 0.206 0.000 0.000 -0.000 3/29160 790.0 0.174 0.145 0.205 0.000 0.000 -0.000 3/29160 800.0 0.173 0.143 0.203 0.000 0.000 -0.000 3/29160 810.0 0.172 0.142 0.201 0.000 0.000 -0.000 3/29160 820.0 0.171 0.140 0.200 0.000 0.000 -0.000 3/29160 830.0 0.170 0.138 0.198 0.000 0.000 -0.000 3/29160 840.0 0.169 0.137 0.196 0.000 0.000 -0.000 3/29160 850.0 0.168 0.136 0.195 0.000 0.000 -0.000 3/29160 860.0 0.167 0.134 0.193 0.000 0.000 -0.000 3/29160 870.0 0.166 0.133 0.192 0.000 0.000 -0.000 3/29160 880.0 0.165 0.131 0.190 0.000 0.000 -0.000 3/29160 890.0 0.164 0.130 0.189 0.000 0.000 -0.000 3/29160 900.0 0.163 0.129 0.188 0.000 0.000 -0.000 3/29160 910.0 0.162 0.127 0.186 0.000 0.000 -0.000 3/29160 920.0 0.161 0.126 0.185 0.000 0.000 -0.000 3/29160 930.0 0.160 0.125 0.184 0.000 0.000 -0.000 3/29160 940.0 0.159 0.124 0.182 0.000 0.000 -0.000 3/29160 950.0 0.159 0.123 0.181 0.000 0.000 -0.000 3/29160 960.0 0.158 0.121 0.180 0.000 0.000 -0.000 3/29160 970.0 0.157 0.120 0.179 0.000 0.000 -0.000 3/29160 980.0 0.156 0.119 0.178 0.000 0.000 -0.000 3/29160 990.0 0.155 0.118 0.176 0.000 0.000 -0.000 3/29160 1000.0 0.154 0.117 0.175 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:22:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|