----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:41:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.990189653734298 -4.505161525000001 0.000000000000000 b 3.990189653734298 4.505161525000001 0.000000000000000 c -3.078051387029057 0.000000000000000 4.681628716773575 Atomic positions (fractional): *1 O 0.12974941769235 0.22549442860418 0.20915938282285 15.999 2 O 0.77450557139582 0.87025058230765 0.29084061717715 15.999 3 O 0.22549442860418 0.12974941769235 0.70915938282285 15.999 4 O 0.87025058230765 0.77450557139582 0.79084061717715 15.999 *5 Rb 0.64328890720303 0.35671109279697 0.25000000000000 85.468 6 Rb 0.35671109279697 0.64328890720303 0.75000000000000 85.468 *7 Sb 0.91047760611597 0.08952239388403 0.75000000000000 121.760 8 Sb 0.08952239388403 0.91047760611597 0.25000000000000 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.980379307468596 0.000000000000000 0.000000000000000 b 0.000000000000000 9.010323050000002 0.000000000000000 c -3.078051387029057 0.000000000000000 4.681628716773575 Atomic positions (fractional): *1 O 0.17762192314826 0.04787250545592 0.20915938282285 15.999 > 1 2 O 0.82237807685174 0.04787250545592 0.29084061717715 15.999 > 2 3 O 0.17762192314826 0.95212749454408 0.70915938282285 15.999 > 3 4 O 0.82237807685174 0.95212749454408 0.79084061717715 15.999 > 4 5 O 0.67762192314826 0.54787250545592 0.20915938282285 15.999 > 1 6 O 0.32237807685173 0.54787250545592 0.29084061717715 15.999 > 2 7 O 0.67762192314826 0.45212749454408 0.70915938282285 15.999 > 3 8 O 0.32237807685173 0.45212749454408 0.79084061717715 15.999 > 4 *9 Rb 0.50000000000000 0.85671109279697 0.25000000000000 85.468 > 5 10 Rb 0.50000000000000 0.14328890720303 0.75000000000000 85.468 > 6 11 Rb 0.00000000000000 0.35671109279697 0.25000000000000 85.468 > 5 12 Rb 0.00000000000000 0.64328890720303 0.75000000000000 85.468 > 6 *13 Sb 0.50000000000000 0.58952239388403 0.75000000000000 121.760 > 7 14 Sb 0.50000000000000 0.41047760611597 0.25000000000000 121.760 > 8 15 Sb 0.00000000000000 0.08952239388403 0.75000000000000 121.760 > 7 16 Sb 0.00000000000000 0.91047760611597 0.25000000000000 121.760 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.960758614937191 0.000000000000000 0.000000000000000 b 0.000000000000000 18.020646100000004 0.000000000000000 c -6.156102774058114 0.000000000000000 9.363257433547149 Atomic positions (fractional): *1 O 0.08881096157413 0.02393625272796 0.10457969141143 15.999 > 1 2 O 0.58881096157413 0.02393625272796 0.10457969141143 15.999 > 1 3 O 0.08881096157413 0.52393625272796 0.10457969141143 15.999 > 1 4 O 0.58881096157413 0.52393625272796 0.10457969141143 15.999 > 1 5 O 0.08881096157413 0.02393625272796 0.60457969141143 15.999 > 1 6 O 0.58881096157413 0.02393625272796 0.60457969141143 15.999 > 1 7 O 0.08881096157413 0.52393625272796 0.60457969141143 15.999 > 1 8 O 0.58881096157413 0.52393625272796 0.60457969141143 15.999 > 1 9 O 0.41118903842587 0.02393625272796 0.14542030858857 15.999 > 2 10 O 0.91118903842587 0.02393625272796 0.14542030858857 15.999 > 2 11 O 0.41118903842587 0.52393625272796 0.14542030858857 15.999 > 2 12 O 0.91118903842587 0.52393625272796 0.14542030858857 15.999 > 2 13 O 0.41118903842587 0.02393625272796 0.64542030858857 15.999 > 2 14 O 0.91118903842587 0.02393625272796 0.64542030858857 15.999 > 2 15 O 0.41118903842587 0.52393625272796 0.64542030858857 15.999 > 2 16 O 0.91118903842587 0.52393625272796 0.64542030858857 15.999 > 2 17 O 0.08881096157413 0.47606374727204 0.35457969141143 15.999 > 3 18 O 0.58881096157413 0.47606374727204 0.35457969141143 15.999 > 3 19 O 0.08881096157413 0.97606374727204 0.35457969141143 15.999 > 3 20 O 0.58881096157413 0.97606374727204 0.35457969141143 15.999 > 3 21 O 0.08881096157413 0.47606374727204 0.85457969141143 15.999 > 3 22 O 0.58881096157413 0.47606374727204 0.85457969141143 15.999 > 3 23 O 0.08881096157413 0.97606374727204 0.85457969141143 15.999 > 3 24 O 0.58881096157413 0.97606374727204 0.85457969141143 15.999 > 3 25 O 0.41118903842587 0.47606374727204 0.39542030858857 15.999 > 4 26 O 0.91118903842587 0.47606374727204 0.39542030858857 15.999 > 4 27 O 0.41118903842587 0.97606374727204 0.39542030858857 15.999 > 4 28 O 0.91118903842587 0.97606374727204 0.39542030858857 15.999 > 4 29 O 0.41118903842587 0.47606374727204 0.89542030858857 15.999 > 4 30 O 0.91118903842587 0.47606374727204 0.89542030858857 15.999 > 4 31 O 0.41118903842587 0.97606374727204 0.89542030858857 15.999 > 4 32 O 0.91118903842587 0.97606374727204 0.89542030858857 15.999 > 4 33 O 0.33881096157413 0.27393625272796 0.10457969141143 15.999 > 1 34 O 0.83881096157413 0.27393625272796 0.10457969141143 15.999 > 1 35 O 0.33881096157413 0.77393625272796 0.10457969141143 15.999 > 1 36 O 0.83881096157413 0.77393625272796 0.10457969141143 15.999 > 1 37 O 0.33881096157413 0.27393625272796 0.60457969141143 15.999 > 1 38 O 0.83881096157413 0.27393625272796 0.60457969141143 15.999 > 1 39 O 0.33881096157413 0.77393625272796 0.60457969141143 15.999 > 1 40 O 0.83881096157413 0.77393625272796 0.60457969141143 15.999 > 1 41 O 0.16118903842587 0.27393625272796 0.14542030858857 15.999 > 2 42 O 0.66118903842587 0.27393625272796 0.14542030858857 15.999 > 2 43 O 0.16118903842587 0.77393625272796 0.14542030858857 15.999 > 2 44 O 0.66118903842587 0.77393625272796 0.14542030858857 15.999 > 2 45 O 0.16118903842587 0.27393625272796 0.64542030858857 15.999 > 2 46 O 0.66118903842587 0.27393625272796 0.64542030858857 15.999 > 2 47 O 0.16118903842587 0.77393625272796 0.64542030858857 15.999 > 2 48 O 0.66118903842587 0.77393625272796 0.64542030858857 15.999 > 2 49 O 0.33881096157413 0.22606374727204 0.35457969141143 15.999 > 3 50 O 0.83881096157413 0.22606374727204 0.35457969141143 15.999 > 3 51 O 0.33881096157413 0.72606374727204 0.35457969141143 15.999 > 3 52 O 0.83881096157413 0.72606374727204 0.35457969141143 15.999 > 3 53 O 0.33881096157413 0.22606374727204 0.85457969141143 15.999 > 3 54 O 0.83881096157413 0.22606374727204 0.85457969141143 15.999 > 3 55 O 0.33881096157413 0.72606374727204 0.85457969141143 15.999 > 3 56 O 0.83881096157413 0.72606374727204 0.85457969141143 15.999 > 3 57 O 0.16118903842587 0.22606374727204 0.39542030858857 15.999 > 4 58 O 0.66118903842587 0.22606374727204 0.39542030858857 15.999 > 4 59 O 0.16118903842587 0.72606374727204 0.39542030858857 15.999 > 4 60 O 0.66118903842587 0.72606374727204 0.39542030858857 15.999 > 4 61 O 0.16118903842587 0.22606374727204 0.89542030858857 15.999 > 4 62 O 0.66118903842587 0.22606374727204 0.89542030858857 15.999 > 4 63 O 0.16118903842587 0.72606374727204 0.89542030858857 15.999 > 4 64 O 0.66118903842587 0.72606374727204 0.89542030858857 15.999 > 4 *65 Rb 0.25000000000000 0.42835554639848 0.12500000000000 85.468 > 5 66 Rb 0.75000000000000 0.42835554639848 0.12500000000000 85.468 > 5 67 Rb 0.25000000000000 0.92835554639848 0.12500000000000 85.468 > 5 68 Rb 0.75000000000000 0.92835554639848 0.12500000000000 85.468 > 5 69 Rb 0.25000000000000 0.42835554639848 0.62500000000000 85.468 > 5 70 Rb 0.75000000000000 0.42835554639848 0.62500000000000 85.468 > 5 71 Rb 0.25000000000000 0.92835554639848 0.62500000000000 85.468 > 5 72 Rb 0.75000000000000 0.92835554639848 0.62500000000000 85.468 > 5 73 Rb 0.25000000000000 0.07164445360152 0.37500000000000 85.468 > 6 74 Rb 0.75000000000000 0.07164445360152 0.37500000000000 85.468 > 6 75 Rb 0.25000000000000 0.57164445360152 0.37500000000000 85.468 > 6 76 Rb 0.75000000000000 0.57164445360152 0.37500000000000 85.468 > 6 77 Rb 0.25000000000000 0.07164445360152 0.87500000000000 85.468 > 6 78 Rb 0.75000000000000 0.07164445360152 0.87500000000000 85.468 > 6 79 Rb 0.25000000000000 0.57164445360152 0.87500000000000 85.468 > 6 80 Rb 0.75000000000000 0.57164445360152 0.87500000000000 85.468 > 6 81 Rb 0.00000000000000 0.17835554639848 0.12500000000000 85.468 > 5 82 Rb 0.50000000000000 0.17835554639848 0.12500000000000 85.468 > 5 83 Rb 0.00000000000000 0.67835554639848 0.12500000000000 85.468 > 5 84 Rb 0.50000000000000 0.67835554639848 0.12500000000000 85.468 > 5 85 Rb 0.00000000000000 0.17835554639848 0.62500000000000 85.468 > 5 86 Rb 0.50000000000000 0.17835554639848 0.62500000000000 85.468 > 5 87 Rb 0.00000000000000 0.67835554639848 0.62500000000000 85.468 > 5 88 Rb 0.50000000000000 0.67835554639848 0.62500000000000 85.468 > 5 89 Rb 0.00000000000000 0.32164445360152 0.37500000000000 85.468 > 6 90 Rb 0.50000000000000 0.32164445360152 0.37500000000000 85.468 > 6 91 Rb 0.00000000000000 0.82164445360152 0.37500000000000 85.468 > 6 92 Rb 0.50000000000000 0.82164445360152 0.37500000000000 85.468 > 6 93 Rb 0.00000000000000 0.32164445360152 0.87500000000000 85.468 > 6 94 Rb 0.50000000000000 0.32164445360152 0.87500000000000 85.468 > 6 95 Rb 0.00000000000000 0.82164445360152 0.87500000000000 85.468 > 6 96 Rb 0.50000000000000 0.82164445360152 0.87500000000000 85.468 > 6 *97 Sb 0.25000000000000 0.29476119694202 0.37500000000000 121.760 > 7 98 Sb 0.75000000000000 0.29476119694202 0.37500000000000 121.760 > 7 99 Sb 0.25000000000000 0.79476119694202 0.37500000000000 121.760 > 7 100 Sb 0.75000000000000 0.79476119694202 0.37500000000000 121.760 > 7 101 Sb 0.25000000000000 0.29476119694202 0.87500000000000 121.760 > 7 102 Sb 0.75000000000000 0.29476119694202 0.87500000000000 121.760 > 7 103 Sb 0.25000000000000 0.79476119694202 0.87500000000000 121.760 > 7 104 Sb 0.75000000000000 0.79476119694202 0.87500000000000 121.760 > 7 105 Sb 0.25000000000000 0.20523880305798 0.12500000000000 121.760 > 8 106 Sb 0.75000000000000 0.20523880305798 0.12500000000000 121.760 > 8 107 Sb 0.25000000000000 0.70523880305798 0.12500000000000 121.760 > 8 108 Sb 0.75000000000000 0.70523880305798 0.12500000000000 121.760 > 8 109 Sb 0.25000000000000 0.20523880305798 0.62500000000000 121.760 > 8 110 Sb 0.75000000000000 0.20523880305798 0.62500000000000 121.760 > 8 111 Sb 0.25000000000000 0.70523880305798 0.62500000000000 121.760 > 8 112 Sb 0.75000000000000 0.70523880305798 0.62500000000000 121.760 > 8 113 Sb 0.00000000000000 0.04476119694202 0.37500000000000 121.760 > 7 114 Sb 0.50000000000000 0.04476119694202 0.37500000000000 121.760 > 7 115 Sb 0.00000000000000 0.54476119694202 0.37500000000000 121.760 > 7 116 Sb 0.50000000000000 0.54476119694202 0.37500000000000 121.760 > 7 117 Sb 0.00000000000000 0.04476119694202 0.87500000000000 121.760 > 7 118 Sb 0.50000000000000 0.04476119694202 0.87500000000000 121.760 > 7 119 Sb 0.00000000000000 0.54476119694202 0.87500000000000 121.760 > 7 120 Sb 0.50000000000000 0.54476119694202 0.87500000000000 121.760 > 7 121 Sb 0.00000000000000 0.45523880305798 0.12500000000000 121.760 > 8 122 Sb 0.50000000000000 0.45523880305798 0.12500000000000 121.760 > 8 123 Sb 0.00000000000000 0.95523880305798 0.12500000000000 121.760 > 8 124 Sb 0.50000000000000 0.95523880305798 0.12500000000000 121.760 > 8 125 Sb 0.00000000000000 0.45523880305798 0.62500000000000 121.760 > 8 126 Sb 0.50000000000000 0.45523880305798 0.62500000000000 121.760 > 8 127 Sb 0.00000000000000 0.95523880305798 0.62500000000000 121.760 > 8 128 Sb 0.50000000000000 0.95523880305798 0.62500000000000 121.760 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5306707 0.0000000 -0.4716222 0.0000000 3.3462935 0.0000000 -0.4716229 0.0000000 4.1360514 -------------------------- Born effective charges -------------------------- 1 O -1.7642765 -0.9225562 0.5388031 -0.3655284 -1.4886442 0.2112025 0.5340435 0.8340553 -2.6323096 2 O -1.7642765 0.9225562 0.5388031 0.3655284 -1.4886442 -0.2112025 0.5340435 -0.8340553 -2.6323096 3 O -1.7642765 0.9225562 0.5388031 0.3655284 -1.4886442 -0.2112025 0.5340435 -0.8340553 -2.6323096 4 O -1.7642765 -0.9225562 0.5388031 -0.3655284 -1.4886442 0.2112025 0.5340435 0.8340553 -2.6323096 5 Rb 1.3154621 0.0000000 0.1733347 0.0000000 1.2549620 0.0000000 0.1937988 0.0000000 1.3114075 6 Rb 1.3154621 0.0000000 0.1733347 0.0000000 1.2549620 0.0000000 0.1937988 0.0000000 1.3114075 7 Sb 2.2130908 0.0000000 -1.2509409 0.0000000 1.7223264 0.0000000 -1.2618859 0.0000000 3.9532116 8 Sb 2.2130908 0.0000000 -1.2509409 0.0000000 1.7223264 0.0000000 -1.2618859 0.0000000 3.9532116 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.832 Solver_block: 200 / 240 - Time: 1.774 Solver_block: 240 / 240 - Time: 0.763 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.396 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:41:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.990189653734298 -4.505161525000001 0.000000000000000 b 3.990189653734298 4.505161525000001 0.000000000000000 c -3.078051387029057 0.000000000000000 4.681628716773575 Atomic positions (fractional): 1 O 0.12974941769235 0.22549442860418 0.20915938282285 15.999 2 O 0.77450557139582 0.87025058230765 0.29084061717715 15.999 3 O 0.22549442860418 0.12974941769235 0.70915938282285 15.999 4 O 0.87025058230765 0.77450557139582 0.79084061717715 15.999 5 Rb 0.64328890720303 0.35671109279697 0.25000000000000 85.468 6 Rb 0.35671109279697 0.64328890720303 0.75000000000000 85.468 7 Sb 0.91047760611597 0.08952239388403 0.75000000000000 121.760 8 Sb 0.08952239388403 0.91047760611597 0.25000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.960758614937191 0.000000000000000 0.000000000000000 b 0.000000000000000 18.020646100000004 0.000000000000000 c -6.156102774058114 0.000000000000000 9.363257433547149 Atomic positions (fractional): 1 O 0.08881096157413 0.02393625272796 0.10457969141143 15.999 > 1 2 O 0.58881096157413 0.02393625272796 0.10457969141143 15.999 > 1 3 O 0.08881096157413 0.52393625272796 0.10457969141143 15.999 > 1 4 O 0.58881096157413 0.52393625272796 0.10457969141143 15.999 > 1 5 O 0.08881096157413 0.02393625272796 0.60457969141143 15.999 > 1 6 O 0.58881096157413 0.02393625272796 0.60457969141143 15.999 > 1 7 O 0.08881096157413 0.52393625272796 0.60457969141143 15.999 > 1 8 O 0.58881096157413 0.52393625272796 0.60457969141143 15.999 > 1 9 O 0.41118903842587 0.02393625272796 0.14542030858857 15.999 > 9 10 O 0.91118903842587 0.02393625272796 0.14542030858857 15.999 > 9 11 O 0.41118903842587 0.52393625272796 0.14542030858857 15.999 > 9 12 O 0.91118903842587 0.52393625272796 0.14542030858857 15.999 > 9 13 O 0.41118903842587 0.02393625272796 0.64542030858857 15.999 > 9 14 O 0.91118903842587 0.02393625272796 0.64542030858857 15.999 > 9 15 O 0.41118903842587 0.52393625272796 0.64542030858857 15.999 > 9 16 O 0.91118903842587 0.52393625272796 0.64542030858857 15.999 > 9 17 O 0.08881096157413 0.47606374727204 0.35457969141143 15.999 > 17 18 O 0.58881096157413 0.47606374727204 0.35457969141143 15.999 > 17 19 O 0.08881096157413 0.97606374727204 0.35457969141143 15.999 > 17 20 O 0.58881096157413 0.97606374727204 0.35457969141143 15.999 > 17 21 O 0.08881096157413 0.47606374727204 0.85457969141143 15.999 > 17 22 O 0.58881096157413 0.47606374727204 0.85457969141143 15.999 > 17 23 O 0.08881096157413 0.97606374727204 0.85457969141143 15.999 > 17 24 O 0.58881096157413 0.97606374727204 0.85457969141143 15.999 > 17 25 O 0.41118903842587 0.47606374727204 0.39542030858857 15.999 > 25 26 O 0.91118903842587 0.47606374727204 0.39542030858857 15.999 > 25 27 O 0.41118903842587 0.97606374727204 0.39542030858857 15.999 > 25 28 O 0.91118903842587 0.97606374727204 0.39542030858857 15.999 > 25 29 O 0.41118903842587 0.47606374727204 0.89542030858857 15.999 > 25 30 O 0.91118903842587 0.47606374727204 0.89542030858857 15.999 > 25 31 O 0.41118903842587 0.97606374727204 0.89542030858857 15.999 > 25 32 O 0.91118903842587 0.97606374727204 0.89542030858857 15.999 > 25 33 O 0.33881096157413 0.27393625272796 0.10457969141143 15.999 > 1 34 O 0.83881096157413 0.27393625272796 0.10457969141143 15.999 > 1 35 O 0.33881096157413 0.77393625272796 0.10457969141143 15.999 > 1 36 O 0.83881096157413 0.77393625272796 0.10457969141143 15.999 > 1 37 O 0.33881096157413 0.27393625272796 0.60457969141143 15.999 > 1 38 O 0.83881096157413 0.27393625272796 0.60457969141143 15.999 > 1 39 O 0.33881096157413 0.77393625272796 0.60457969141143 15.999 > 1 40 O 0.83881096157413 0.77393625272796 0.60457969141143 15.999 > 1 41 O 0.16118903842587 0.27393625272796 0.14542030858857 15.999 > 9 42 O 0.66118903842587 0.27393625272796 0.14542030858857 15.999 > 9 43 O 0.16118903842587 0.77393625272796 0.14542030858857 15.999 > 9 44 O 0.66118903842587 0.77393625272796 0.14542030858857 15.999 > 9 45 O 0.16118903842587 0.27393625272796 0.64542030858857 15.999 > 9 46 O 0.66118903842587 0.27393625272796 0.64542030858857 15.999 > 9 47 O 0.16118903842587 0.77393625272796 0.64542030858857 15.999 > 9 48 O 0.66118903842587 0.77393625272796 0.64542030858857 15.999 > 9 49 O 0.33881096157413 0.22606374727204 0.35457969141143 15.999 > 17 50 O 0.83881096157413 0.22606374727204 0.35457969141143 15.999 > 17 51 O 0.33881096157413 0.72606374727204 0.35457969141143 15.999 > 17 52 O 0.83881096157413 0.72606374727204 0.35457969141143 15.999 > 17 53 O 0.33881096157413 0.22606374727204 0.85457969141143 15.999 > 17 54 O 0.83881096157413 0.22606374727204 0.85457969141143 15.999 > 17 55 O 0.33881096157413 0.72606374727204 0.85457969141143 15.999 > 17 56 O 0.83881096157413 0.72606374727204 0.85457969141143 15.999 > 17 57 O 0.16118903842587 0.22606374727204 0.39542030858857 15.999 > 25 58 O 0.66118903842587 0.22606374727204 0.39542030858857 15.999 > 25 59 O 0.16118903842587 0.72606374727204 0.39542030858857 15.999 > 25 60 O 0.66118903842587 0.72606374727204 0.39542030858857 15.999 > 25 61 O 0.16118903842587 0.22606374727204 0.89542030858857 15.999 > 25 62 O 0.66118903842587 0.22606374727204 0.89542030858857 15.999 > 25 63 O 0.16118903842587 0.72606374727204 0.89542030858857 15.999 > 25 64 O 0.66118903842587 0.72606374727204 0.89542030858857 15.999 > 25 65 Rb 0.25000000000000 0.42835554639848 0.12500000000000 85.468 > 65 66 Rb 0.75000000000000 0.42835554639848 0.12500000000000 85.468 > 65 67 Rb 0.25000000000000 0.92835554639848 0.12500000000000 85.468 > 65 68 Rb 0.75000000000000 0.92835554639848 0.12500000000000 85.468 > 65 69 Rb 0.25000000000000 0.42835554639848 0.62500000000000 85.468 > 65 70 Rb 0.75000000000000 0.42835554639848 0.62500000000000 85.468 > 65 71 Rb 0.25000000000000 0.92835554639848 0.62500000000000 85.468 > 65 72 Rb 0.75000000000000 0.92835554639848 0.62500000000000 85.468 > 65 73 Rb 0.25000000000000 0.07164445360152 0.37500000000000 85.468 > 73 74 Rb 0.75000000000000 0.07164445360152 0.37500000000000 85.468 > 73 75 Rb 0.25000000000000 0.57164445360152 0.37500000000000 85.468 > 73 76 Rb 0.75000000000000 0.57164445360152 0.37500000000000 85.468 > 73 77 Rb 0.25000000000000 0.07164445360152 0.87500000000000 85.468 > 73 78 Rb 0.75000000000000 0.07164445360152 0.87500000000000 85.468 > 73 79 Rb 0.25000000000000 0.57164445360152 0.87500000000000 85.468 > 73 80 Rb 0.75000000000000 0.57164445360152 0.87500000000000 85.468 > 73 81 Rb 0.00000000000000 0.17835554639848 0.12500000000000 85.468 > 65 82 Rb 0.50000000000000 0.17835554639848 0.12500000000000 85.468 > 65 83 Rb 0.00000000000000 0.67835554639848 0.12500000000000 85.468 > 65 84 Rb 0.50000000000000 0.67835554639848 0.12500000000000 85.468 > 65 85 Rb 0.00000000000000 0.17835554639848 0.62500000000000 85.468 > 65 86 Rb 0.50000000000000 0.17835554639848 0.62500000000000 85.468 > 65 87 Rb 0.00000000000000 0.67835554639848 0.62500000000000 85.468 > 65 88 Rb 0.50000000000000 0.67835554639848 0.62500000000000 85.468 > 65 89 Rb 0.00000000000000 0.32164445360152 0.37500000000000 85.468 > 73 90 Rb 0.50000000000000 0.32164445360152 0.37500000000000 85.468 > 73 91 Rb 0.00000000000000 0.82164445360152 0.37500000000000 85.468 > 73 92 Rb 0.50000000000000 0.82164445360152 0.37500000000000 85.468 > 73 93 Rb 0.00000000000000 0.32164445360152 0.87500000000000 85.468 > 73 94 Rb 0.50000000000000 0.32164445360152 0.87500000000000 85.468 > 73 95 Rb 0.00000000000000 0.82164445360152 0.87500000000000 85.468 > 73 96 Rb 0.50000000000000 0.82164445360152 0.87500000000000 85.468 > 73 97 Sb 0.25000000000000 0.29476119694202 0.37500000000000 121.760 > 97 98 Sb 0.75000000000000 0.29476119694202 0.37500000000000 121.760 > 97 99 Sb 0.25000000000000 0.79476119694202 0.37500000000000 121.760 > 97 100 Sb 0.75000000000000 0.79476119694202 0.37500000000000 121.760 > 97 101 Sb 0.25000000000000 0.29476119694202 0.87500000000000 121.760 > 97 102 Sb 0.75000000000000 0.29476119694202 0.87500000000000 121.760 > 97 103 Sb 0.25000000000000 0.79476119694202 0.87500000000000 121.760 > 97 104 Sb 0.75000000000000 0.79476119694202 0.87500000000000 121.760 > 97 105 Sb 0.25000000000000 0.20523880305798 0.12500000000000 121.760 > 105 106 Sb 0.75000000000000 0.20523880305798 0.12500000000000 121.760 > 105 107 Sb 0.25000000000000 0.70523880305798 0.12500000000000 121.760 > 105 108 Sb 0.75000000000000 0.70523880305798 0.12500000000000 121.760 > 105 109 Sb 0.25000000000000 0.20523880305798 0.62500000000000 121.760 > 105 110 Sb 0.75000000000000 0.20523880305798 0.62500000000000 121.760 > 105 111 Sb 0.25000000000000 0.70523880305798 0.62500000000000 121.760 > 105 112 Sb 0.75000000000000 0.70523880305798 0.62500000000000 121.760 > 105 113 Sb 0.00000000000000 0.04476119694202 0.37500000000000 121.760 > 97 114 Sb 0.50000000000000 0.04476119694202 0.37500000000000 121.760 > 97 115 Sb 0.00000000000000 0.54476119694202 0.37500000000000 121.760 > 97 116 Sb 0.50000000000000 0.54476119694202 0.37500000000000 121.760 > 97 117 Sb 0.00000000000000 0.04476119694202 0.87500000000000 121.760 > 97 118 Sb 0.50000000000000 0.04476119694202 0.87500000000000 121.760 > 97 119 Sb 0.00000000000000 0.54476119694202 0.87500000000000 121.760 > 97 120 Sb 0.50000000000000 0.54476119694202 0.87500000000000 121.760 > 97 121 Sb 0.00000000000000 0.45523880305798 0.12500000000000 121.760 > 105 122 Sb 0.50000000000000 0.45523880305798 0.12500000000000 121.760 > 105 123 Sb 0.00000000000000 0.95523880305798 0.12500000000000 121.760 > 105 124 Sb 0.50000000000000 0.95523880305798 0.12500000000000 121.760 > 105 125 Sb 0.00000000000000 0.45523880305798 0.62500000000000 121.760 > 105 126 Sb 0.50000000000000 0.45523880305798 0.62500000000000 121.760 > 105 127 Sb 0.00000000000000 0.95523880305798 0.62500000000000 121.760 > 105 128 Sb 0.50000000000000 0.95523880305798 0.62500000000000 121.760 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5306707 0.0000000 -0.4716222 0.0000000 3.3462935 0.0000000 -0.4716229 0.0000000 4.1360514 -------------------------- Born effective charges -------------------------- 1 O -1.7642765 -0.9225562 0.5388031 -0.3655284 -1.4886442 0.2112025 0.5340435 0.8340553 -2.6323096 2 O -1.7642765 0.9225562 0.5388031 0.3655284 -1.4886442 -0.2112025 0.5340435 -0.8340553 -2.6323096 3 O -1.7642765 0.9225562 0.5388031 0.3655284 -1.4886442 -0.2112025 0.5340435 -0.8340553 -2.6323096 4 O -1.7642765 -0.9225562 0.5388031 -0.3655284 -1.4886442 0.2112025 0.5340435 0.8340553 -2.6323096 5 Rb 1.3154621 0.0000000 0.1733347 0.0000000 1.2549620 0.0000000 0.1937988 0.0000000 1.3114075 6 Rb 1.3154621 0.0000000 0.1733347 0.0000000 1.2549620 0.0000000 0.1937988 0.0000000 1.3114075 7 Sb 2.2130908 0.0000000 -1.2509409 0.0000000 1.7223264 0.0000000 -1.2618859 0.0000000 3.9532116 8 Sb 2.2130908 0.0000000 -1.2509409 0.0000000 1.7223264 0.0000000 -1.2618859 0.0000000 3.9532116 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 97, 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000019 (yyy) 0.00000019 (yyy) 0.00000019 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:42:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:42:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.990189653734298 -4.505161525000001 0.000000000000000 b 3.990189653734298 4.505161525000001 0.000000000000000 c -3.078051387029057 0.000000000000000 4.681628716773575 Atomic positions (fractional): 1 O 0.12974941769235 0.22549442860418 0.20915938282285 15.999 2 O 0.77450557139582 0.87025058230765 0.29084061717715 15.999 3 O 0.22549442860418 0.12974941769235 0.70915938282285 15.999 4 O 0.87025058230765 0.77450557139582 0.79084061717715 15.999 5 Rb 0.64328890720303 0.35671109279697 0.25000000000000 85.468 6 Rb 0.35671109279697 0.64328890720303 0.75000000000000 85.468 7 Sb 0.91047760611597 0.08952239388403 0.75000000000000 121.760 8 Sb 0.08952239388403 0.91047760611597 0.25000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.960758614937191 0.000000000000000 0.000000000000000 b 0.000000000000000 18.020646100000004 0.000000000000000 c -6.156102774058114 0.000000000000000 9.363257433547149 Atomic positions (fractional): 1 O 0.08881096157413 0.02393625272796 0.10457969141143 15.999 > 1 2 O 0.58881096157413 0.02393625272796 0.10457969141143 15.999 > 1 3 O 0.08881096157413 0.52393625272796 0.10457969141143 15.999 > 1 4 O 0.58881096157413 0.52393625272796 0.10457969141143 15.999 > 1 5 O 0.08881096157413 0.02393625272796 0.60457969141143 15.999 > 1 6 O 0.58881096157413 0.02393625272796 0.60457969141143 15.999 > 1 7 O 0.08881096157413 0.52393625272796 0.60457969141143 15.999 > 1 8 O 0.58881096157413 0.52393625272796 0.60457969141143 15.999 > 1 9 O 0.41118903842587 0.02393625272796 0.14542030858857 15.999 > 9 10 O 0.91118903842587 0.02393625272796 0.14542030858857 15.999 > 9 11 O 0.41118903842587 0.52393625272796 0.14542030858857 15.999 > 9 12 O 0.91118903842587 0.52393625272796 0.14542030858857 15.999 > 9 13 O 0.41118903842587 0.02393625272796 0.64542030858857 15.999 > 9 14 O 0.91118903842587 0.02393625272796 0.64542030858857 15.999 > 9 15 O 0.41118903842587 0.52393625272796 0.64542030858857 15.999 > 9 16 O 0.91118903842587 0.52393625272796 0.64542030858857 15.999 > 9 17 O 0.08881096157413 0.47606374727204 0.35457969141143 15.999 > 17 18 O 0.58881096157413 0.47606374727204 0.35457969141143 15.999 > 17 19 O 0.08881096157413 0.97606374727204 0.35457969141143 15.999 > 17 20 O 0.58881096157413 0.97606374727204 0.35457969141143 15.999 > 17 21 O 0.08881096157413 0.47606374727204 0.85457969141143 15.999 > 17 22 O 0.58881096157413 0.47606374727204 0.85457969141143 15.999 > 17 23 O 0.08881096157413 0.97606374727204 0.85457969141143 15.999 > 17 24 O 0.58881096157413 0.97606374727204 0.85457969141143 15.999 > 17 25 O 0.41118903842587 0.47606374727204 0.39542030858857 15.999 > 25 26 O 0.91118903842587 0.47606374727204 0.39542030858857 15.999 > 25 27 O 0.41118903842587 0.97606374727204 0.39542030858857 15.999 > 25 28 O 0.91118903842587 0.97606374727204 0.39542030858857 15.999 > 25 29 O 0.41118903842587 0.47606374727204 0.89542030858857 15.999 > 25 30 O 0.91118903842587 0.47606374727204 0.89542030858857 15.999 > 25 31 O 0.41118903842587 0.97606374727204 0.89542030858857 15.999 > 25 32 O 0.91118903842587 0.97606374727204 0.89542030858857 15.999 > 25 33 O 0.33881096157413 0.27393625272796 0.10457969141143 15.999 > 1 34 O 0.83881096157413 0.27393625272796 0.10457969141143 15.999 > 1 35 O 0.33881096157413 0.77393625272796 0.10457969141143 15.999 > 1 36 O 0.83881096157413 0.77393625272796 0.10457969141143 15.999 > 1 37 O 0.33881096157413 0.27393625272796 0.60457969141143 15.999 > 1 38 O 0.83881096157413 0.27393625272796 0.60457969141143 15.999 > 1 39 O 0.33881096157413 0.77393625272796 0.60457969141143 15.999 > 1 40 O 0.83881096157413 0.77393625272796 0.60457969141143 15.999 > 1 41 O 0.16118903842587 0.27393625272796 0.14542030858857 15.999 > 9 42 O 0.66118903842587 0.27393625272796 0.14542030858857 15.999 > 9 43 O 0.16118903842587 0.77393625272796 0.14542030858857 15.999 > 9 44 O 0.66118903842587 0.77393625272796 0.14542030858857 15.999 > 9 45 O 0.16118903842587 0.27393625272796 0.64542030858857 15.999 > 9 46 O 0.66118903842587 0.27393625272796 0.64542030858857 15.999 > 9 47 O 0.16118903842587 0.77393625272796 0.64542030858857 15.999 > 9 48 O 0.66118903842587 0.77393625272796 0.64542030858857 15.999 > 9 49 O 0.33881096157413 0.22606374727204 0.35457969141143 15.999 > 17 50 O 0.83881096157413 0.22606374727204 0.35457969141143 15.999 > 17 51 O 0.33881096157413 0.72606374727204 0.35457969141143 15.999 > 17 52 O 0.83881096157413 0.72606374727204 0.35457969141143 15.999 > 17 53 O 0.33881096157413 0.22606374727204 0.85457969141143 15.999 > 17 54 O 0.83881096157413 0.22606374727204 0.85457969141143 15.999 > 17 55 O 0.33881096157413 0.72606374727204 0.85457969141143 15.999 > 17 56 O 0.83881096157413 0.72606374727204 0.85457969141143 15.999 > 17 57 O 0.16118903842587 0.22606374727204 0.39542030858857 15.999 > 25 58 O 0.66118903842587 0.22606374727204 0.39542030858857 15.999 > 25 59 O 0.16118903842587 0.72606374727204 0.39542030858857 15.999 > 25 60 O 0.66118903842587 0.72606374727204 0.39542030858857 15.999 > 25 61 O 0.16118903842587 0.22606374727204 0.89542030858857 15.999 > 25 62 O 0.66118903842587 0.22606374727204 0.89542030858857 15.999 > 25 63 O 0.16118903842587 0.72606374727204 0.89542030858857 15.999 > 25 64 O 0.66118903842587 0.72606374727204 0.89542030858857 15.999 > 25 65 Rb 0.25000000000000 0.42835554639848 0.12500000000000 85.468 > 65 66 Rb 0.75000000000000 0.42835554639848 0.12500000000000 85.468 > 65 67 Rb 0.25000000000000 0.92835554639848 0.12500000000000 85.468 > 65 68 Rb 0.75000000000000 0.92835554639848 0.12500000000000 85.468 > 65 69 Rb 0.25000000000000 0.42835554639848 0.62500000000000 85.468 > 65 70 Rb 0.75000000000000 0.42835554639848 0.62500000000000 85.468 > 65 71 Rb 0.25000000000000 0.92835554639848 0.62500000000000 85.468 > 65 72 Rb 0.75000000000000 0.92835554639848 0.62500000000000 85.468 > 65 73 Rb 0.25000000000000 0.07164445360152 0.37500000000000 85.468 > 73 74 Rb 0.75000000000000 0.07164445360152 0.37500000000000 85.468 > 73 75 Rb 0.25000000000000 0.57164445360152 0.37500000000000 85.468 > 73 76 Rb 0.75000000000000 0.57164445360152 0.37500000000000 85.468 > 73 77 Rb 0.25000000000000 0.07164445360152 0.87500000000000 85.468 > 73 78 Rb 0.75000000000000 0.07164445360152 0.87500000000000 85.468 > 73 79 Rb 0.25000000000000 0.57164445360152 0.87500000000000 85.468 > 73 80 Rb 0.75000000000000 0.57164445360152 0.87500000000000 85.468 > 73 81 Rb 0.00000000000000 0.17835554639848 0.12500000000000 85.468 > 65 82 Rb 0.50000000000000 0.17835554639848 0.12500000000000 85.468 > 65 83 Rb 0.00000000000000 0.67835554639848 0.12500000000000 85.468 > 65 84 Rb 0.50000000000000 0.67835554639848 0.12500000000000 85.468 > 65 85 Rb 0.00000000000000 0.17835554639848 0.62500000000000 85.468 > 65 86 Rb 0.50000000000000 0.17835554639848 0.62500000000000 85.468 > 65 87 Rb 0.00000000000000 0.67835554639848 0.62500000000000 85.468 > 65 88 Rb 0.50000000000000 0.67835554639848 0.62500000000000 85.468 > 65 89 Rb 0.00000000000000 0.32164445360152 0.37500000000000 85.468 > 73 90 Rb 0.50000000000000 0.32164445360152 0.37500000000000 85.468 > 73 91 Rb 0.00000000000000 0.82164445360152 0.37500000000000 85.468 > 73 92 Rb 0.50000000000000 0.82164445360152 0.37500000000000 85.468 > 73 93 Rb 0.00000000000000 0.32164445360152 0.87500000000000 85.468 > 73 94 Rb 0.50000000000000 0.32164445360152 0.87500000000000 85.468 > 73 95 Rb 0.00000000000000 0.82164445360152 0.87500000000000 85.468 > 73 96 Rb 0.50000000000000 0.82164445360152 0.87500000000000 85.468 > 73 97 Sb 0.25000000000000 0.29476119694202 0.37500000000000 121.760 > 97 98 Sb 0.75000000000000 0.29476119694202 0.37500000000000 121.760 > 97 99 Sb 0.25000000000000 0.79476119694202 0.37500000000000 121.760 > 97 100 Sb 0.75000000000000 0.79476119694202 0.37500000000000 121.760 > 97 101 Sb 0.25000000000000 0.29476119694202 0.87500000000000 121.760 > 97 102 Sb 0.75000000000000 0.29476119694202 0.87500000000000 121.760 > 97 103 Sb 0.25000000000000 0.79476119694202 0.87500000000000 121.760 > 97 104 Sb 0.75000000000000 0.79476119694202 0.87500000000000 121.760 > 97 105 Sb 0.25000000000000 0.20523880305798 0.12500000000000 121.760 > 105 106 Sb 0.75000000000000 0.20523880305798 0.12500000000000 121.760 > 105 107 Sb 0.25000000000000 0.70523880305798 0.12500000000000 121.760 > 105 108 Sb 0.75000000000000 0.70523880305798 0.12500000000000 121.760 > 105 109 Sb 0.25000000000000 0.20523880305798 0.62500000000000 121.760 > 105 110 Sb 0.75000000000000 0.20523880305798 0.62500000000000 121.760 > 105 111 Sb 0.25000000000000 0.70523880305798 0.62500000000000 121.760 > 105 112 Sb 0.75000000000000 0.70523880305798 0.62500000000000 121.760 > 105 113 Sb 0.00000000000000 0.04476119694202 0.37500000000000 121.760 > 97 114 Sb 0.50000000000000 0.04476119694202 0.37500000000000 121.760 > 97 115 Sb 0.00000000000000 0.54476119694202 0.37500000000000 121.760 > 97 116 Sb 0.50000000000000 0.54476119694202 0.37500000000000 121.760 > 97 117 Sb 0.00000000000000 0.04476119694202 0.87500000000000 121.760 > 97 118 Sb 0.50000000000000 0.04476119694202 0.87500000000000 121.760 > 97 119 Sb 0.00000000000000 0.54476119694202 0.87500000000000 121.760 > 97 120 Sb 0.50000000000000 0.54476119694202 0.87500000000000 121.760 > 97 121 Sb 0.00000000000000 0.45523880305798 0.12500000000000 121.760 > 105 122 Sb 0.50000000000000 0.45523880305798 0.12500000000000 121.760 > 105 123 Sb 0.00000000000000 0.95523880305798 0.12500000000000 121.760 > 105 124 Sb 0.50000000000000 0.95523880305798 0.12500000000000 121.760 > 105 125 Sb 0.00000000000000 0.45523880305798 0.62500000000000 121.760 > 105 126 Sb 0.50000000000000 0.45523880305798 0.62500000000000 121.760 > 105 127 Sb 0.00000000000000 0.95523880305798 0.62500000000000 121.760 > 105 128 Sb 0.50000000000000 0.95523880305798 0.62500000000000 121.760 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5306707 0.0000000 -0.4716222 0.0000000 3.3462935 0.0000000 -0.4716229 0.0000000 4.1360514 -------------------------- Born effective charges -------------------------- 1 O -1.7642765 -0.9225562 0.5388031 -0.3655284 -1.4886442 0.2112025 0.5340435 0.8340553 -2.6323096 2 O -1.7642765 0.9225562 0.5388031 0.3655284 -1.4886442 -0.2112025 0.5340435 -0.8340553 -2.6323096 3 O -1.7642765 0.9225562 0.5388031 0.3655284 -1.4886442 -0.2112025 0.5340435 -0.8340553 -2.6323096 4 O -1.7642765 -0.9225562 0.5388031 -0.3655284 -1.4886442 0.2112025 0.5340435 0.8340553 -2.6323096 5 Rb 1.3154621 0.0000000 0.1733347 0.0000000 1.2549620 0.0000000 0.1937988 0.0000000 1.3114075 6 Rb 1.3154621 0.0000000 0.1733347 0.0000000 1.2549620 0.0000000 0.1937988 0.0000000 1.3114075 7 Sb 2.2130908 0.0000000 -1.2509409 0.0000000 1.7223264 0.0000000 -1.2618859 0.0000000 3.9532116 8 Sb 2.2130908 0.0000000 -1.2509409 0.0000000 1.7223264 0.0000000 -1.2618859 0.0000000 3.9532116 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000019 (yyy) 0.00000019 (yyy) 0.00000019 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 11 ] 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: 0.75, Number of G-points: 295, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/250) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 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 1.599 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 12.046 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.456 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 16.933 ( 0.000 0.000 0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 18.113 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/250) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.105 ( 4.285 -3.993 6.611) 8.832 0.400 ( 11.162 -12.452 9.109) 19.043 0.657 ( 20.933 -8.791 25.908) 34.449 1.633 ( 2.430 -2.123 0.043) 3.227 2.209 ( 0.957 4.280 -2.169) 4.893 2.386 ( 3.216 3.099 -4.619) 6.425 2.494 ( -5.788 0.137 2.746) 6.408 2.716 ( -6.827 -17.363 -9.785) 21.067 3.194 ( 0.605 2.295 0.268) 2.389 3.681 ( 26.253 10.842 -27.681) 39.661 4.254 ( -1.107 -0.814 2.835) 3.150 4.920 ( 2.133 -0.143 -0.478) 2.191 5.169 ( 0.556 -1.427 -0.362) 1.574 6.383 ( 0.376 -0.091 -0.479) 0.615 6.535 ( 0.038 0.031 -0.355) 0.359 9.006 ( -27.021 18.312 68.823) 76.172 9.620 ( -65.812 -10.860 86.248) 109.031 12.059 ( -6.285 -3.496 1.506) 7.348 12.431 ( 3.762 -0.058 -3.316) 5.015 12.445 ( -0.445 0.144 -0.837) 0.959 16.517 ( 56.858 44.383 -30.293) 78.233 16.957 ( 2.716 0.021 0.410) 2.746 17.834 ( 0.788 -0.928 -1.347) 1.816 18.643 ( -15.738 -38.002 -23.962) 47.603 ======================= Grid point 2 (3/250) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 8.262 -7.244 9.149) 14.299 0.777 ( 10.609 -11.934 6.969) 17.423 1.247 ( 17.897 -6.592 20.969) 28.345 1.693 ( 1.457 -2.203 -0.065) 2.642 2.130 ( 0.448 6.204 -2.874) 6.852 2.319 ( -0.225 4.631 -1.851) 4.992 2.463 ( -2.857 -1.864 0.478) 3.445 2.723 ( -5.525 -7.908 -3.437) 10.241 3.185 ( 1.422 1.823 0.647) 2.401 3.633 ( 7.108 4.257 -13.799) 16.096 4.285 ( 2.118 -1.692 -1.028) 2.899 4.947 ( 2.552 0.321 -0.880) 2.719 5.203 ( 1.306 -2.410 -0.553) 2.796 6.387 ( 0.711 -0.267 -0.718) 1.045 6.533 ( 0.167 -0.079 -0.545) 0.576 9.040 ( -9.001 8.195 28.607) 31.089 9.628 ( -29.144 -4.683 38.996) 48.908 12.021 ( -5.518 -1.890 1.197) 5.954 12.415 ( -0.770 0.330 -1.523) 1.739 12.471 ( 5.337 -0.596 -4.233) 6.838 16.480 ( 23.247 20.665 -11.601) 33.197 16.998 ( 1.757 0.008 0.930) 1.988 17.851 ( 1.729 -1.581 -2.033) 3.102 18.675 ( -6.960 -16.896 -8.902) 20.327 ======================= Grid point 3 (4/250) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 9.162 -8.958 9.968) 16.234 1.109 ( 9.126 -10.564 4.429) 14.646 1.569 ( 1.729 0.637 1.468) 2.356 1.779 ( 6.332 -2.250 6.480) 9.335 2.020 ( -1.717 6.509 -1.851) 6.981 2.287 ( 2.888 3.332 5.098) 6.740 2.458 ( -0.679 -2.923 -2.643) 3.998 2.713 ( -4.335 -3.917 1.296) 5.984 3.197 ( 1.414 0.582 0.353) 1.569 3.517 ( -0.697 3.076 -10.844) 11.293 4.329 ( 2.550 -1.593 -1.352) 3.297 4.965 ( 1.793 0.410 -0.795) 2.004 5.245 ( 1.301 -1.888 -0.633) 2.379 6.395 ( 0.763 -0.368 -0.610) 1.044 6.533 ( 0.314 -0.259 -0.461) 0.615 9.070 ( -2.906 4.304 12.743) 13.760 9.636 ( -14.638 -2.121 20.099) 24.955 11.981 ( -3.878 -1.059 0.646) 4.072 12.389 ( -0.641 0.109 -1.173) 1.342 12.513 ( 4.397 -0.714 -3.439) 5.628 16.448 ( 11.215 11.104 -4.930) 16.535 17.016 ( -0.106 0.114 0.840) 0.854 17.882 ( 2.075 -1.571 -1.727) 3.124 18.695 ( -3.941 -7.883 -3.619) 9.527 ======================= Grid point 4 (5/250) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 5.621 -5.872 6.165) 10.202 1.347 ( 4.716 -5.798 1.671) 7.659 1.483 ( -3.327 3.086 -3.163) 5.531 1.870 ( 2.607 3.575 -0.259) 4.432 1.910 ( -3.434 0.893 -0.088) 3.550 2.401 ( 4.733 2.144 8.713) 10.145 2.460 ( -0.497 -3.237 -4.772) 5.787 2.734 ( -1.117 -1.912 2.967) 3.703 3.211 ( 0.703 -0.034 0.025) 0.705 3.371 ( -2.282 1.934 -6.118) 6.810 4.362 ( 1.075 -0.637 -0.518) 1.353 4.973 ( 0.644 0.149 -0.304) 0.727 5.269 ( 0.492 -0.630 -0.308) 0.856 6.403 ( 0.333 -0.178 -0.235) 0.444 6.537 ( 0.186 -0.170 -0.171) 0.305 9.085 ( -0.620 1.419 3.599) 3.918 9.641 ( -4.595 -0.596 6.431) 7.926 11.956 ( -1.392 -0.344 0.186) 1.445 12.375 ( -0.226 0.003 -0.440) 0.495 12.542 ( 1.674 -0.333 -1.286) 2.137 16.430 ( 3.500 3.660 -1.379) 5.248 17.014 ( -0.392 0.076 0.307) 0.504 17.908 ( 0.971 -0.675 -0.663) 1.356 18.698 ( -1.422 -2.243 -0.986) 2.833 ======================= Grid point 10 (6/250) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 11.727 0.000 6.819) 13.566 0.600 ( 12.340 0.000 12.064) 17.258 1.151 ( 20.642 0.000 24.667) 32.164 1.660 ( 3.300 0.000 -1.086) 3.474 2.227 ( 2.035 0.000 -4.779) 5.194 2.399 ( 0.069 0.000 -6.185) 6.186 2.482 ( -3.683 -0.000 1.415) 3.946 2.506 ( -2.113 -0.000 3.531) 4.115 3.209 ( 0.371 0.000 -1.120) 1.180 3.703 ( 8.580 0.000 -23.664) 25.171 4.264 ( 1.303 0.000 0.570) 1.422 4.953 ( 3.293 0.000 -0.556) 3.340 5.166 ( 0.930 0.000 -0.453) 1.035 6.383 ( 0.521 0.000 -0.616) 0.807 6.532 ( 0.337 0.000 -1.055) 1.108 9.277 ( 1.085 0.000 2.009) 2.283 9.455 ( -65.938 -0.000 101.257) 120.834 11.990 ( -4.198 -0.000 1.954) 4.630 12.426 ( -3.185 -0.000 2.089) 3.809 12.462 ( 5.927 0.000 -5.175) 7.869 16.955 ( 1.030 0.000 0.766) 1.284 17.027 ( 18.459 0.000 -37.966) 42.216 17.858 ( 6.225 0.000 -6.345) 8.888 18.219 ( 4.058 0.000 4.992) 6.433 ======================= Grid point 11 (7/250) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 12.870 -0.360 9.695) 16.117 0.901 ( 11.312 -5.144 8.692) 15.165 1.585 ( 11.469 0.587 10.895) 15.829 1.701 ( 3.764 -2.765 1.208) 4.824 2.175 ( 0.969 5.117 -4.303) 6.755 2.354 ( -0.459 -2.534 -4.838) 5.480 2.416 ( -2.008 4.531 6.576) 8.235 2.581 ( -2.635 -6.384 3.874) 7.919 3.197 ( 0.381 -0.266 -2.522) 2.564 3.572 ( -0.469 1.149 -14.802) 14.854 4.301 ( 2.988 -0.603 -0.225) 3.056 4.986 ( 2.823 0.960 -0.742) 3.073 5.192 ( 1.665 -1.824 -0.509) 2.522 6.387 ( 0.522 -0.228 -0.422) 0.710 6.527 ( 0.632 -0.159 -1.445) 1.585 9.244 ( -5.011 8.698 14.299) 17.471 9.518 ( -24.944 -7.027 35.736) 44.144 11.959 ( -3.419 -0.570 1.908) 3.957 12.398 ( -3.662 0.382 3.160) 4.852 12.499 ( 5.540 -0.359 -4.958) 7.443 16.799 ( 7.267 14.039 -15.648) 22.243 17.006 ( 0.844 -1.651 -1.686) 2.506 17.878 ( 5.963 1.503 -4.309) 7.509 18.424 ( 3.239 -11.473 2.387) 12.158 ======================= Grid point 12 (8/250) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 12.100 -2.177 9.770) 15.703 1.181 ( 9.550 -6.039 4.941) 12.332 1.590 ( -0.706 4.794 -3.146) 5.777 1.848 ( 2.014 -3.202 -0.312) 3.796 2.052 ( -3.213 7.356 -1.773) 8.221 2.357 ( -1.419 -4.813 -3.444) 6.086 2.463 ( 3.398 2.989 8.916) 9.999 2.671 ( 1.022 -3.240 6.832) 7.631 3.184 ( 0.306 -1.657 -3.712) 4.076 3.406 ( -4.133 0.770 -10.115) 10.954 4.349 ( 2.214 -0.377 0.772) 2.375 4.995 ( 1.476 1.401 -0.460) 2.087 5.236 ( 1.672 -1.803 -0.436) 2.497 6.395 ( 0.242 -0.400 0.029) 0.469 6.528 ( 0.887 -0.442 -1.492) 1.791 9.195 ( -3.408 7.052 8.499) 11.557 9.572 ( -8.479 -5.047 10.723) 14.572 11.946 ( -1.281 -0.338 1.529) 2.023 12.379 ( -3.203 0.239 4.125) 5.228 12.531 ( 3.428 -0.451 -3.068) 4.623 16.601 ( 0.903 8.861 -9.402) 12.951 17.016 ( 0.413 -0.163 -0.392) 0.592 17.909 ( 4.764 0.954 -2.420) 5.428 18.596 ( 3.311 -5.691 2.385) 7.003 ======================= Grid point 13 (9/250) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 6.376 2.335 3.548) 7.661 1.380 ( 5.752 -2.594 0.841) 6.366 1.490 ( 0.563 3.629 -0.519) 3.709 1.837 ( -5.514 -0.703 -2.060) 5.928 1.919 ( -0.697 3.297 -1.070) 3.536 2.339 ( -3.099 -3.093 -6.247) 7.629 2.515 ( -1.705 1.295 5.494) 5.896 2.773 ( 3.305 1.396 1.122) 3.759 3.178 ( -0.343 -2.564 -3.947) 4.719 3.320 ( -0.587 -2.065 1.162) 2.441 4.378 ( 0.205 0.611 1.926) 2.031 4.988 ( 0.019 1.132 0.035) 1.132 5.268 ( 1.028 -0.528 0.084) 1.159 6.401 ( -0.326 -0.278 0.528) 0.680 6.534 ( 0.796 -0.435 -1.250) 1.544 9.127 ( -2.033 4.495 0.515) 4.960 9.607 ( 0.846 -3.173 -2.205) 3.955 11.961 ( 1.478 0.111 1.129) 1.863 12.379 ( -2.372 0.252 4.956) 5.500 12.544 ( 0.251 -0.090 -0.487) 0.555 16.432 ( -4.610 3.123 -5.746) 8.001 17.019 ( 1.003 0.381 -0.861) 1.376 17.934 ( 2.737 1.394 -0.748) 3.162 18.713 ( 4.734 -0.752 3.087) 5.701 ======================= Grid point 14 (10/250) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -3.336 12.734 -6.258) 14.575 1.361 ( -3.327 8.262 -2.195) 9.173 1.560 ( 5.588 0.108 3.405) 6.544 1.758 ( -6.314 -3.245 -1.658) 7.290 1.909 ( 1.204 -2.052 -3.358) 4.116 2.232 ( -4.117 -1.295 -7.054) 8.270 2.506 ( -2.894 0.931 3.396) 4.557 2.777 ( 3.359 1.588 -1.456) 3.991 3.157 ( -1.740 -2.653 -4.041) 5.138 3.434 ( 1.986 -3.411 8.381) 9.264 4.373 ( -1.562 1.821 2.589) 3.529 4.969 ( -1.306 0.635 0.388) 1.503 5.279 ( 0.335 1.012 0.775) 1.318 6.401 ( -0.866 0.044 0.865) 1.225 6.536 ( 0.452 -0.105 -0.848) 0.966 9.039 ( -0.775 1.401 -7.525) 7.694 9.637 ( 7.546 -1.666 -10.518) 13.052 12.004 ( 4.112 0.743 0.627) 4.226 12.396 ( -1.472 0.513 5.388) 5.609 12.529 ( -2.921 0.488 1.786) 3.458 16.291 ( -9.163 -2.157 -2.760) 9.810 17.018 ( 0.966 0.358 -1.542) 1.855 17.934 ( 0.847 2.405 0.567) 2.612 18.814 ( 6.566 2.475 4.268) 8.213 ======================= Grid point 15 (11/250) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -3.495 15.274 -6.459) 16.947 1.108 ( -7.460 13.846 -3.524) 16.117 1.430 ( -12.307 7.847 -13.525) 19.899 1.734 ( 2.364 0.282 -0.376) 2.410 1.964 ( 0.880 -6.513 -0.166) 6.574 2.220 ( 1.323 -3.555 0.977) 3.917 2.486 ( -1.920 0.001 1.199) 2.263 2.832 ( 5.793 0.996 2.698) 6.468 3.125 ( -2.608 -2.990 -3.709) 5.431 3.544 ( -2.774 -2.582 7.030) 7.986 4.342 ( -2.072 2.675 2.462) 4.185 4.945 ( -2.001 0.142 0.397) 2.045 5.266 ( -0.289 2.550 1.072) 2.781 6.394 ( -0.972 0.248 0.890) 1.341 6.535 ( 0.255 0.074 -0.398) 0.478 8.935 ( 1.456 -1.193 -15.964) 16.074 9.668 ( 12.531 -0.564 -16.208) 20.495 12.063 ( 5.863 1.454 -0.191) 6.043 12.422 ( -0.708 0.769 5.245) 5.349 12.488 ( -4.683 0.745 2.991) 5.607 16.173 ( -13.952 -6.038 0.309) 15.206 17.004 ( -0.027 0.517 -1.909) 1.978 17.913 ( -0.002 3.054 1.198) 3.281 18.916 ( 7.877 4.797 6.187) 11.106 ======================= Grid point 16 (12/250) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 0.057 14.124 -2.037) 14.270 0.779 ( -5.934 16.560 -5.749) 18.507 0.957 ( -14.181 14.116 -14.772) 24.871 1.717 ( -0.040 3.937 -0.694) 3.998 2.060 ( 0.042 -7.030 0.655) 7.060 2.323 ( 2.589 -3.030 4.231) 5.813 2.478 ( -0.106 -1.501 -1.648) 2.231 2.951 ( 7.999 2.446 6.602) 10.656 3.103 ( -2.039 -4.259 -2.642) 5.411 3.528 ( -10.773 -1.487 3.644) 11.470 4.301 ( -1.141 2.772 1.181) 3.222 4.919 ( -1.729 -0.038 0.065) 1.731 5.232 ( -0.413 3.327 0.842) 3.456 6.386 ( -0.574 0.205 0.555) 0.824 6.535 ( 0.179 0.020 -0.077) 0.196 8.817 ( 4.402 -1.917 -22.522) 23.028 9.704 ( 14.840 -0.183 -18.398) 23.638 12.120 ( 5.585 1.771 -0.967) 5.939 12.437 ( -3.528 0.458 3.413) 4.931 12.457 ( -0.357 0.937 3.053) 3.214 16.040 ( -18.670 -6.293 2.859) 19.908 16.972 ( -0.748 0.961 -1.447) 1.891 17.885 ( -0.078 2.913 0.952) 3.065 19.034 ( 8.359 5.003 8.258) 12.771 ======================= Grid point 17 (13/250) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( -0.000 10.523 0.000) 10.523 0.477 ( -0.000 19.044 0.000) 19.044 0.515 ( -0.000 20.708 0.000) 20.708 1.656 ( -0.000 4.158 0.000) 4.158 2.145 ( 0.000 -6.228 -0.000) 6.228 2.385 ( 0.000 -0.011 -0.000) 0.011 2.504 ( 0.000 -2.990 -0.000) 2.990 3.111 ( 0.000 -4.011 -0.000) 4.011 3.133 ( 0.000 -3.255 -0.000) 3.255 3.361 ( -0.000 5.436 0.000) 5.436 4.267 ( -0.000 2.171 0.000) 2.171 4.905 ( -0.000 0.054 0.000) 0.054 5.194 ( -0.000 2.733 0.000) 2.733 6.383 ( -0.000 0.110 0.000) 0.110 6.537 ( 0.000 -0.034 -0.000) 0.034 8.724 ( -0.000 0.563 0.000) 0.563 9.741 ( 0.000 -0.973 -0.000) 0.973 12.145 ( -0.000 0.911 0.000) 0.911 12.419 ( -0.000 0.190 0.000) 0.190 12.466 ( -0.000 0.780 0.000) 0.780 15.904 ( 0.000 -0.095 -0.000) 0.095 16.945 ( -0.000 0.955 0.000) 0.955 17.857 ( -0.000 2.179 0.000) 2.179 19.141 ( -0.000 0.250 0.000) 0.250 ======================= Grid point 20 (14/250) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 13.141 0.000 9.295) 16.096 1.100 ( 10.653 0.000 6.910) 12.698 1.677 ( 0.797 0.000 -2.270) 2.406 1.778 ( 3.092 0.000 -0.623) 3.154 2.206 ( 2.214 0.000 -3.817) 4.412 2.237 ( -6.528 -0.000 -1.025) 6.608 2.533 ( -3.094 -0.000 5.986) 6.738 2.598 ( 7.584 0.000 11.275) 13.588 3.158 ( -0.096 -0.000 -5.126) 5.127 3.413 ( -4.681 -0.000 -11.760) 12.657 4.344 ( 2.666 0.000 1.285) 2.960 5.020 ( 1.535 0.000 -0.683) 1.680 5.205 ( 2.537 0.000 -0.115) 2.539 6.389 ( 0.172 0.000 0.150) 0.228 6.522 ( 1.084 0.000 -2.019) 2.291 9.380 ( 3.174 0.000 2.567) 4.082 9.416 ( -18.254 -0.000 20.897) 27.747 11.942 ( -1.269 -0.000 2.219) 2.556 12.383 ( -4.855 -0.000 6.294) 7.949 12.524 ( 4.262 0.000 -3.993) 5.840 16.745 ( -3.721 -0.000 -14.808) 15.268 17.007 ( 1.924 0.000 -0.124) 1.928 17.935 ( 6.405 0.000 -4.905) 8.067 18.495 ( 7.605 0.000 6.618) 10.082 ======================= Grid point 21 (15/250) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 12.215 0.182 7.972) 14.587 1.303 ( 8.925 -2.255 3.702) 9.922 1.621 ( -0.530 5.831 -3.254) 6.699 1.762 ( -2.447 -4.465 -5.163) 7.251 2.070 ( -5.853 6.659 -0.743) 8.897 2.242 ( -1.492 -4.664 -3.076) 5.783 2.533 ( -3.995 0.315 5.594) 6.881 2.803 ( 6.482 0.864 4.948) 8.200 3.112 ( -0.255 -1.968 -6.568) 6.861 3.278 ( -2.576 -1.034 -2.866) 3.990 4.389 ( 1.053 0.259 2.781) 2.985 5.016 ( -0.360 0.824 -0.443) 1.002 5.252 ( 2.998 -0.517 0.435) 3.073 6.394 ( -0.283 -0.220 0.759) 0.839 6.522 ( 1.424 -0.324 -2.118) 2.572 9.274 ( -6.265 6.203 1.624) 8.965 9.496 ( 1.061 -5.204 1.188) 5.443 11.963 ( 1.432 0.038 2.120) 2.559 12.384 ( -4.215 0.091 7.977) 9.023 12.541 ( 1.735 -0.105 -1.873) 2.556 16.523 ( -7.362 2.795 -10.867) 13.420 17.027 ( 1.767 0.227 -1.032) 2.058 17.971 ( 4.843 1.214 -2.596) 5.627 18.679 ( 8.110 -1.353 5.686) 9.996 ======================= Grid point 22 (16/250) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 3.251 7.907 -1.493) 8.679 1.451 ( 5.719 -0.442 0.492) 5.757 1.545 ( 2.794 -1.069 0.114) 2.994 1.736 ( -3.623 0.198 -0.227) 3.636 1.912 ( -3.823 3.351 -2.705) 5.759 2.207 ( -3.431 -1.199 -5.375) 6.488 2.512 ( -5.230 -0.117 4.256) 6.744 2.806 ( 0.107 0.965 -4.531) 4.634 3.076 ( -1.193 -3.498 -6.928) 7.852 3.361 ( 4.301 -2.251 8.258) 9.580 4.412 ( -0.660 1.202 3.521) 3.779 4.988 ( -1.752 0.698 -0.165) 1.893 5.299 ( 2.621 0.645 1.141) 2.931 6.398 ( -0.743 -0.184 1.128) 1.362 6.529 ( 1.366 -0.382 -1.795) 2.288 9.112 ( -3.682 3.763 -7.859) 9.459 9.573 ( 4.122 -3.007 -2.986) 5.912 12.018 ( 4.129 0.394 1.743) 4.499 12.408 ( -2.719 0.364 8.207) 8.653 12.537 ( -1.395 0.173 0.346) 1.448 16.295 ( -9.037 1.393 -7.670) 11.934 17.032 ( 1.471 0.631 -1.729) 2.356 17.991 ( 2.916 1.983 -0.729) 3.601 18.846 ( 8.110 0.463 4.876) 9.475 ======================= Grid point 23 (17/250) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -4.710 11.869 -8.022) 15.080 1.412 ( -1.779 9.619 -3.292) 10.322 1.612 ( -7.441 4.463 -2.776) 9.110 1.697 ( 7.083 -0.851 3.441) 7.920 1.847 ( -0.143 -2.439 -4.478) 5.101 2.147 ( 0.072 -2.038 -1.473) 2.515 2.473 ( -5.397 -0.813 2.313) 5.928 2.801 ( 1.671 -2.723 -0.559) 3.244 3.039 ( -2.063 -3.908 -6.046) 7.489 3.505 ( 2.303 -0.752 6.602) 7.032 4.406 ( -1.432 2.335 3.241) 4.243 4.952 ( -2.186 0.355 -0.070) 2.215 5.325 ( 1.700 2.188 1.573) 3.186 6.397 ( -0.946 0.055 1.084) 1.440 6.535 ( 0.948 -0.109 -1.197) 1.531 8.946 ( -1.899 1.530 -12.230) 12.471 9.632 ( 5.740 -1.893 -5.681) 8.295 12.093 ( 5.873 0.989 0.923) 6.026 12.444 ( -1.239 0.848 7.026) 7.184 12.504 ( -3.892 0.520 1.818) 4.327 16.105 ( -9.396 -0.571 -4.506) 10.437 17.022 ( 0.866 0.864 -1.949) 2.301 17.989 ( 1.336 2.831 0.307) 3.145 18.985 ( 7.554 1.518 4.509) 8.928 ======================= Grid point 24 (18/250) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -4.848 10.694 -7.205) 13.776 1.176 ( -2.776 15.034 -4.465) 15.927 1.325 ( -7.646 15.121 -4.748) 17.597 1.789 ( 3.196 1.359 -0.150) 3.476 1.890 ( 0.460 -6.194 -0.414) 6.225 2.234 ( 4.444 -3.974 2.838) 6.603 2.427 ( -5.031 -2.187 -0.434) 5.503 2.898 ( 3.257 -5.211 2.144) 6.509 3.009 ( -2.174 -3.704 -3.693) 5.664 3.546 ( -1.648 1.890 2.795) 3.755 4.377 ( -1.057 3.154 1.900) 3.831 4.921 ( -1.512 0.154 -0.120) 1.524 5.319 ( 0.601 3.503 1.194) 3.750 6.392 ( -0.662 0.223 0.644) 0.950 6.536 ( 0.452 0.075 -0.508) 0.684 8.809 ( -0.260 0.554 -10.935) 10.952 9.677 ( 5.257 -1.567 -5.870) 8.034 12.161 ( 5.177 1.637 -0.161) 5.432 12.451 ( -3.934 0.595 2.374) 4.633 12.482 ( -0.287 0.987 3.969) 4.100 15.966 ( -7.809 -1.074 -1.552) 8.034 17.000 ( 0.145 1.238 -1.377) 1.857 17.966 ( 0.421 3.372 0.511) 3.436 19.097 ( 5.337 1.286 3.653) 6.594 ======================= Grid point 25 (19/250) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -0.000 9.559 0.000) 9.559 0.930 ( -0.000 17.413 0.000) 17.413 1.015 ( -0.000 19.640 0.000) 19.640 1.768 ( -0.000 4.137 0.000) 4.137 1.976 ( 0.000 -7.024 -0.000) 7.024 2.359 ( 0.000 -1.710 -0.000) 1.710 2.399 ( 0.000 -5.240 -0.000) 5.240 3.018 ( 0.000 -6.001 -0.000) 6.001 3.018 ( 0.000 -3.705 -0.000) 3.705 3.489 ( -0.000 4.750 0.000) 4.750 4.338 ( -0.000 3.320 0.000) 3.320 4.907 ( -0.000 0.137 0.000) 0.137 5.281 ( -0.000 3.971 0.000) 3.971 6.387 ( -0.000 0.220 0.000) 0.220 6.537 ( -0.000 0.048 0.000) 0.048 8.742 ( -0.000 0.848 0.000) 0.848 9.708 ( 0.000 -1.591 -0.000) 1.591 12.178 ( -0.000 1.734 0.000) 1.734 12.425 ( -0.000 0.275 0.000) 0.275 12.490 ( -0.000 1.065 0.000) 1.065 15.902 ( 0.000 -0.075 -0.000) 0.075 16.976 ( -0.000 1.456 0.000) 1.456 17.929 ( -0.000 3.387 0.000) 3.387 19.150 ( -0.000 0.388 0.000) 0.388 ======================= Grid point 30 (20/250) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 11.626 0.000 6.394) 13.269 1.409 ( 3.627 0.000 -1.561) 3.949 1.553 ( -4.831 -0.000 -7.748) 9.131 1.718 ( 3.617 0.000 2.024) 4.145 1.998 ( -7.859 -0.000 -3.074) 8.439 2.174 ( -1.802 -0.000 -1.099) 2.111 2.511 ( -5.721 -0.000 4.460) 7.254 2.822 ( -2.131 -0.000 -6.848) 7.172 3.022 ( -0.590 -0.000 -8.138) 8.160 3.332 ( 5.652 0.000 8.674) 10.353 4.428 ( -0.309 -0.000 3.874) 3.886 4.997 ( -2.124 -0.000 -0.414) 2.164 5.308 ( 3.710 0.000 1.336) 3.943 6.395 ( -0.650 -0.000 1.256) 1.414 6.523 ( 1.772 0.000 -2.124) 2.766 9.172 ( -5.546 -0.000 -10.523) 11.895 9.525 ( 3.848 0.000 1.620) 4.175 12.023 ( 4.118 0.000 2.220) 4.679 12.412 ( -3.240 -0.000 9.288) 9.837 12.539 ( -0.676 -0.000 -0.298) 0.739 16.318 ( -9.679 -0.000 -9.532) 13.585 17.041 ( 1.614 0.000 -1.758) 2.386 18.018 ( 3.522 0.000 -1.496) 3.827 18.849 ( 8.987 0.000 5.412) 10.491 ======================= Grid point 31 (21/250) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -8.762 5.307 -11.329) 15.274 1.530 ( 6.569 -0.198 1.668) 6.781 1.565 ( 5.401 -1.786 0.902) 5.759 1.793 ( 3.040 2.874 4.128) 5.877 1.846 ( -4.696 1.760 -4.513) 6.747 2.129 ( -2.615 0.195 -1.508) 3.025 2.457 ( -6.818 -0.240 2.869) 7.401 2.733 ( -2.234 -2.090 -4.525) 5.462 2.953 ( -0.998 -2.275 -7.441) 7.845 3.497 ( 5.365 -0.104 7.256) 9.025 4.448 ( -0.998 0.926 3.717) 3.959 4.959 ( -2.493 0.179 -0.273) 2.515 5.366 ( 2.964 0.905 1.723) 3.545 6.397 ( -0.779 -0.020 1.256) 1.478 6.531 ( 1.595 -0.117 -1.593) 2.257 8.984 ( -3.443 1.084 -13.542) 14.015 9.592 ( 3.269 -1.032 0.090) 3.429 12.111 ( 5.991 0.406 1.726) 6.248 12.458 ( -1.573 0.255 7.970) 8.128 12.514 ( -3.195 0.212 0.911) 3.329 16.108 ( -8.760 0.315 -6.832) 11.113 17.040 ( 1.087 0.446 -1.898) 2.232 18.041 ( 2.064 1.203 -0.428) 2.427 19.008 ( 7.557 0.415 4.093) 8.604 ======================= Grid point 32 (22/250) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -8.031 5.863 -10.168) 14.222 1.486 ( -0.528 9.233 -2.650) 9.621 1.639 ( 0.870 7.575 1.735) 7.820 1.780 ( 0.436 -2.441 -2.727) 3.686 1.804 ( 1.367 2.178 1.741) 3.105 2.143 ( 3.858 -2.888 1.026) 4.927 2.386 ( -6.915 -1.115 0.568) 7.027 2.749 ( -0.152 -6.135 -0.171) 6.139 2.916 ( -1.128 -3.333 -4.728) 5.894 3.591 ( 2.077 1.435 3.395) 4.230 4.444 ( -0.783 2.061 2.254) 3.153 4.925 ( -1.601 0.150 -0.147) 1.615 5.392 ( 1.475 2.208 1.270) 2.943 6.396 ( -0.570 0.136 0.750) 0.951 6.538 ( 0.862 0.049 -0.787) 1.169 8.828 ( -1.667 0.747 -9.331) 9.508 9.640 ( 2.369 -1.229 -1.150) 2.906 12.198 ( 5.620 1.186 0.652) 5.781 12.464 ( -4.130 0.441 1.270) 4.343 12.501 ( -0.408 0.467 4.559) 4.601 15.957 ( -5.542 0.001 -3.330) 6.465 17.027 ( 0.500 0.885 -1.272) 1.628 18.038 ( 0.849 2.260 0.073) 2.416 19.118 ( 4.584 0.516 2.483) 5.239 ======================= Grid point 33 (23/250) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 7.130 0.000) 7.130 1.318 ( -0.000 13.606 0.000) 13.606 1.468 ( -0.000 16.622 0.000) 16.622 1.819 ( 0.000 -3.819 -0.000) 3.819 1.828 ( 0.000 -0.928 -0.000) 0.928 2.264 ( 0.000 -5.237 -0.000) 5.237 2.323 ( 0.000 -0.984 -0.000) 0.984 2.845 ( 0.000 -7.754 -0.000) 7.754 2.926 ( 0.000 -3.632 -0.000) 3.632 3.587 ( -0.000 3.147 0.000) 3.147 4.418 ( -0.000 2.919 0.000) 2.919 4.911 ( -0.000 0.156 0.000) 0.156 5.374 ( -0.000 3.274 0.000) 3.274 6.393 ( -0.000 0.241 0.000) 0.241 6.539 ( -0.000 0.141 0.000) 0.141 8.762 ( -0.000 0.732 0.000) 0.732 9.668 ( 0.000 -1.488 -0.000) 1.488 12.226 ( -0.000 1.931 0.000) 1.931 12.431 ( -0.000 0.225 0.000) 0.225 12.513 ( -0.000 0.732 0.000) 0.732 15.901 ( -0.000 0.008 0.000) 0.008 17.011 ( -0.000 1.272 0.000) 1.272 18.011 ( -0.000 3.038 0.000) 3.038 19.159 ( -0.000 0.341 0.000) 0.341 ======================= Grid point 40 (24/250) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -9.246 -0.000 -10.662) 14.113 1.596 ( 1.409 0.000 -0.805) 1.623 1.685 ( 9.348 0.000 2.001) 9.559 1.763 ( -2.622 -0.000 -2.504) 3.626 1.883 ( -1.007 -0.000 2.925) 3.094 2.111 ( 1.738 0.000 0.426) 1.789 2.372 ( -7.350 -0.000 0.836) 7.397 2.654 ( -1.383 -0.000 -2.280) 2.666 2.871 ( -0.581 -0.000 -4.659) 4.695 3.609 ( 3.090 0.000 3.609) 4.751 4.471 ( -0.677 -0.000 2.404) 2.497 4.927 ( -1.670 -0.000 -0.170) 1.678 5.420 ( 1.760 0.000 1.258) 2.163 6.398 ( -0.496 -0.000 0.809) 0.949 6.539 ( 1.092 0.000 -0.866) 1.394 8.838 ( -2.076 -0.000 -9.540) 9.763 9.624 ( 1.619 0.000 0.391) 1.665 12.213 ( 5.905 0.000 0.989) 5.987 12.470 ( -4.185 -0.000 0.849) 4.270 12.506 ( -0.475 -0.000 4.763) 4.787 15.958 ( -5.282 -0.000 -3.917) 6.576 17.039 ( 0.538 0.000 -1.227) 1.340 18.068 ( 0.996 0.000 -0.123) 1.003 19.124 ( 4.386 0.000 2.209) 4.911 ======================= Grid point 42 (25/250) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.000 2.753 0.000) 2.753 1.564 ( -0.000 5.363 0.000) 5.363 1.743 ( 0.000 -1.124 -0.000) 1.124 1.791 ( -0.000 8.070 0.000) 8.070 1.806 ( 0.000 -1.107 -0.000) 1.107 2.168 ( 0.000 -2.056 -0.000) 2.056 2.306 ( 0.000 -0.507 -0.000) 0.507 2.669 ( 0.000 -5.165 -0.000) 5.165 2.855 ( 0.000 -1.682 -0.000) 1.682 3.640 ( -0.000 1.092 0.000) 1.092 4.470 ( -0.000 1.159 0.000) 1.159 4.914 ( -0.000 0.061 0.000) 0.061 5.431 ( -0.000 1.236 0.000) 1.236 6.398 ( -0.000 0.107 0.000) 0.107 6.542 ( -0.000 0.081 0.000) 0.081 8.775 ( -0.000 0.285 0.000) 0.285 9.641 ( 0.000 -0.608 -0.000) 0.608 12.263 ( -0.000 0.899 0.000) 0.899 12.435 ( -0.000 0.084 0.000) 0.084 12.524 ( -0.000 0.204 0.000) 0.204 15.902 ( -0.000 0.024 0.000) 0.024 17.034 ( -0.000 0.499 0.000) 0.499 18.066 ( -0.000 1.218 0.000) 1.218 19.165 ( -0.000 0.134 0.000) 0.134 ======================= Grid point 83 (26/250) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( -6.295 -0.000 14.771) 16.056 0.483 ( 7.981 0.000 24.298) 25.575 0.860 ( -8.377 -0.000 42.581) 43.398 1.667 ( -4.505 -0.000 6.250) 7.704 2.180 ( 0.666 0.000 -5.918) 5.956 2.251 ( 4.059 0.000 -9.456) 10.290 2.530 ( 0.804 0.000 1.317) 1.543 2.633 ( -3.576 -0.000 5.959) 6.950 3.205 ( 6.425 0.000 -4.933) 8.100 3.212 ( -0.768 -0.000 0.498) 0.916 4.300 ( 1.361 0.000 -8.148) 8.261 4.931 ( -2.091 -0.000 2.643) 3.370 5.185 ( -2.128 -0.000 2.706) 3.442 6.330 ( 2.908 0.000 -5.210) 5.967 6.665 ( -9.804 -0.000 12.423) 15.826 9.199 ( 4.636 0.000 -4.702) 6.603 11.938 ( 6.983 0.000 -9.230) 11.574 12.333 ( -6.378 -0.000 -11.637) 13.270 12.484 ( -7.009 -0.000 5.528) 8.927 14.468 ( 32.012 0.000 0.175) 32.013 16.330 (-151.390 -0.000 6.049) 151.511 16.960 ( -1.191 -0.000 2.704) 2.955 17.813 ( -0.545 -0.000 -1.713) 1.797 18.132 ( 2.633 0.000 1.747) 3.160 ======================= Grid point 84 (27/250) ======================= q-point: ( 0.11 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.401 -1.201 17.214) 17.261 0.798 ( 1.352 -4.838 22.886) 23.431 1.243 ( 7.441 -3.405 31.088) 32.147 1.686 ( -2.617 -2.569 4.333) 5.677 2.106 ( 2.642 4.225 -7.380) 8.905 2.262 ( 3.941 -2.383 -6.765) 8.184 2.547 ( -2.651 1.339 3.564) 4.639 2.659 ( -2.447 -5.214 2.733) 6.375 3.184 ( 1.189 1.900 -1.542) 2.721 3.305 ( 10.490 -2.630 -10.309) 14.941 4.249 ( 1.691 0.131 -6.457) 6.676 4.941 ( -0.153 0.008 2.581) 2.585 5.190 ( -1.529 -1.238 2.527) 3.203 6.326 ( 3.360 -0.033 -5.165) 6.162 6.650 ( -8.600 -0.248 11.992) 14.759 9.221 ( 4.246 0.944 -2.953) 5.257 11.703 ( -62.427 24.784 18.785) 69.744 11.982 ( -4.376 -3.249 -9.044) 10.559 12.454 ( -4.106 -0.314 4.925) 6.419 12.980 ( -76.701 36.517 64.109) 106.426 16.152 ( 30.668 6.853 -6.607) 32.112 16.987 ( -0.350 -1.802 2.390) 3.014 17.795 ( -0.009 -1.291 -2.595) 2.898 18.379 ( -0.114 -22.510 -5.221) 23.108 ======================= Grid point 85 (28/250) ======================= q-point: ( 0.22 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 5.324 -4.490 15.997) 17.448 1.070 ( 0.443 -6.274 18.906) 19.925 1.585 ( 3.100 -1.341 10.529) 11.057 1.733 ( 1.717 -3.185 3.562) 5.077 2.037 ( 3.097 4.230 -4.599) 6.974 2.297 ( 3.924 -1.181 -0.310) 4.110 2.504 ( -4.785 2.513 5.285) 7.559 2.720 ( -1.465 -4.350 2.802) 5.378 3.167 ( 0.586 -0.218 -2.557) 2.632 3.340 ( 6.613 -0.833 -12.984) 14.595 4.235 ( 4.323 -0.430 -6.010) 7.416 4.965 ( 0.277 0.327 2.759) 2.793 5.221 ( -0.652 -2.265 2.387) 3.354 6.331 ( 3.836 -0.128 -4.817) 6.159 6.650 ( -8.469 -0.890 12.362) 15.011 9.235 ( 2.759 2.058 -0.759) 3.525 10.712 ( -66.454 18.168 40.917) 80.128 11.945 ( 2.178 -1.228 -7.970) 8.353 12.468 ( -1.536 -0.641 4.984) 5.254 12.602 ( -16.121 9.649 22.739) 29.496 16.332 ( 16.836 8.110 -3.360) 18.988 17.023 ( -0.469 -1.510 1.548) 2.213 17.803 ( 1.642 -2.330 -2.751) 3.961 18.550 ( 0.269 -12.635 -4.156) 13.303 ======================= Grid point 86 (29/250) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 6.109 -5.283 11.096) 13.724 1.307 ( 0.422 -6.307 13.521) 14.926 1.561 ( -4.956 2.067 -0.630) 5.406 1.831 ( 3.245 -1.070 -1.817) 3.870 1.989 ( -0.559 4.222 0.184) 4.263 2.381 ( 1.407 -2.693 -1.332) 3.318 2.489 ( 0.308 3.160 9.474) 9.991 2.767 ( -1.929 -1.697 3.215) 4.116 3.159 ( 0.794 -2.019 -4.290) 4.808 3.297 ( 2.773 -0.067 -8.747) 9.176 4.264 ( 6.493 -0.385 -5.851) 8.749 4.989 ( -0.321 0.258 3.218) 3.245 5.263 ( -0.520 -1.986 2.538) 3.264 6.346 ( 4.018 -0.162 -4.352) 5.925 6.662 ( -8.902 -1.469 13.326) 16.093 9.232 ( 0.564 2.749 1.791) 3.329 10.124 ( -41.096 7.933 24.384) 48.439 11.917 ( 2.102 -0.220 -6.238) 6.587 12.487 ( -4.525 3.283 9.757) 11.245 12.552 ( -3.063 0.683 8.773) 9.318 16.400 ( 6.673 3.879 0.076) 7.719 17.032 ( -1.617 -0.720 0.772) 1.931 17.845 ( 2.764 -2.524 -1.925) 4.209 18.635 ( 1.066 -5.304 -2.661) 6.029 ======================= Grid point 87 (30/250) ======================= q-point: ( 0.44 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -0.526 2.179 -0.987) 2.449 1.426 ( -1.757 -1.870 4.806) 5.448 1.537 ( -2.968 -1.514 9.659) 10.217 1.845 ( 2.701 -0.571 -4.010) 4.869 1.918 ( -4.532 2.310 2.891) 5.851 2.355 ( -3.318 -2.183 -6.050) 7.237 2.550 ( 0.679 3.456 6.476) 7.372 2.731 ( -1.917 2.275 -3.390) 4.510 3.167 ( 0.914 -2.992 -4.318) 5.333 3.327 ( 5.134 -2.186 1.848) 5.878 4.305 ( 6.279 0.424 -5.192) 8.159 5.008 ( -1.406 -0.027 3.628) 3.891 5.296 ( -1.174 -0.961 3.056) 3.412 6.363 ( 3.632 0.069 -3.990) 5.396 6.679 ( -9.751 -1.585 14.399) 17.462 9.221 ( -2.648 2.397 6.103) 7.071 9.755 ( -24.359 3.738 8.304) 26.006 11.899 ( 3.196 0.656 -5.054) 6.016 12.470 ( -3.654 3.598 9.283) 10.605 12.601 ( -1.923 -1.248 6.595) 6.982 16.441 ( -0.655 -2.277 2.614) 3.528 17.020 ( -1.549 -0.404 0.306) 1.630 17.894 ( 1.927 -1.656 -0.714) 2.639 18.676 ( 2.957 -0.332 -1.302) 3.248 ======================= Grid point 88 (31/250) ======================= q-point: (-0.44 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -7.815 9.166 -6.831) 13.847 1.408 ( -10.344 5.406 6.563) 13.390 1.594 ( -1.175 -0.605 7.943) 8.052 1.800 ( -4.763 0.103 -9.185) 10.347 1.925 ( 0.728 -4.291 1.993) 4.787 2.262 ( -4.136 -2.575 -3.392) 5.936 2.532 ( -1.094 4.136 1.760) 4.627 2.679 ( 3.624 3.047 -1.385) 4.933 3.166 ( -0.493 -3.004 -4.258) 5.235 3.481 ( 6.543 -3.078 3.299) 7.948 4.328 ( 4.434 1.242 -3.950) 6.067 5.015 ( -2.662 -0.331 3.658) 4.536 5.307 ( -2.230 0.424 3.453) 4.132 6.370 ( 2.922 0.424 -3.873) 4.870 6.691 ( -10.786 -1.428 15.426) 18.877 9.210 ( -10.951 1.527 16.748) 20.069 9.490 ( -8.414 3.189 -6.307) 10.988 11.898 ( 5.010 1.520 -4.673) 7.017 12.468 ( -2.233 2.772 7.536) 8.335 12.635 ( -4.270 -0.939 7.053) 8.299 16.496 ( -7.055 -9.589 5.486) 13.108 17.011 ( -0.853 -0.539 0.145) 1.019 17.917 ( -0.059 -0.230 0.190) 0.304 18.713 ( 5.903 3.453 0.505) 6.857 ======================= Grid point 89 (32/250) ======================= q-point: (-0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -9.644 9.182 -3.407) 13.745 1.169 ( -17.481 9.780 7.043) 21.233 1.413 ( -16.867 7.828 -10.006) 21.117 1.735 ( 0.010 -1.379 2.591) 2.935 2.018 ( 2.147 -6.418 -1.505) 6.933 2.294 ( -0.097 -4.511 4.043) 6.058 2.473 ( 0.197 4.211 -1.331) 4.420 2.713 ( 7.045 3.650 0.138) 7.936 3.154 ( -1.347 -3.286 -3.640) 5.085 3.602 ( 4.482 -2.667 -2.865) 5.951 4.329 ( 2.471 1.295 -2.485) 3.736 5.008 ( -3.808 -0.629 3.237) 5.038 5.284 ( -3.216 1.969 3.326) 5.028 6.364 ( 2.403 0.550 -4.038) 4.731 6.698 ( -11.654 -1.588 16.346) 20.138 9.160 ( -24.208 0.410 29.105) 37.859 9.378 ( 8.695 4.370 -5.547) 11.201 11.913 ( 6.873 2.318 -5.141) 8.891 12.474 ( -1.383 1.916 5.436) 5.928 12.632 ( -6.771 -0.527 7.343) 10.002 16.590 ( -13.761 -18.335 9.595) 24.852 17.007 ( -1.463 -1.006 0.232) 1.791 17.905 ( -1.415 0.785 0.549) 1.708 18.766 ( 9.126 7.590 3.055) 12.257 ======================= Grid point 90 (33/250) ======================= q-point: (-0.22 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( -8.487 5.823 6.860) 12.369 0.801 ( -21.257 7.561 -7.567) 23.797 0.990 ( -20.689 13.580 12.015) 27.510 1.744 ( -4.184 1.214 4.957) 6.599 2.111 ( 2.898 -6.961 -4.070) 8.568 2.385 ( 1.215 -0.961 -1.180) 1.948 2.426 ( 1.825 1.251 1.833) 2.873 2.753 ( 8.123 6.785 -2.648) 10.910 3.152 ( -1.387 -4.308 -2.449) 5.146 3.586 ( -0.215 -0.803 -14.326) 14.350 4.330 ( 2.038 -0.272 -2.312) 3.094 4.983 ( -4.690 -0.580 2.846) 5.516 5.237 ( -3.257 2.477 2.922) 5.028 6.352 ( 2.312 0.376 -4.462) 5.039 6.704 ( -12.172 -1.999 16.068) 20.256 9.137 ( -10.246 -2.659 16.166) 19.323 9.624 ( 1.272 -2.181 67.055) 67.103 11.937 ( 8.594 3.032 -5.844) 10.827 12.477 ( -1.037 1.015 2.507) 2.897 12.597 ( -8.332 -0.206 7.078) 10.934 16.753 ( -23.109 -31.960 15.203) 42.268 16.996 ( -4.564 -3.134 0.961) 5.619 17.876 ( -1.750 0.906 0.352) 2.001 18.838 ( 13.589 12.223 4.821) 18.903 ======================= Grid point 91 (34/250) ======================= q-point: (-0.11 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( -2.485 5.340 16.769) 17.773 0.345 ( -18.128 7.236 0.370) 19.522 0.768 ( -20.708 8.860 33.971) 40.760 1.698 ( -6.091 1.882 6.323) 8.979 2.183 ( 1.841 -5.539 -5.660) 8.131 2.324 ( 2.674 3.007 -9.054) 9.908 2.513 ( 2.814 -0.367 2.928) 4.077 2.689 ( 2.854 10.071 -4.620) 11.441 3.172 ( -1.644 -5.087 -2.091) 5.740 3.352 ( -7.082 4.926 -12.521) 15.205 4.338 ( 2.756 -1.458 -7.296) 7.935 4.950 ( -4.199 -0.131 2.926) 5.119 5.199 ( -2.588 1.181 2.852) 4.028 6.339 ( 2.538 0.123 -4.929) 5.545 6.693 ( -11.650 -1.017 13.480) 17.845 9.176 ( 2.632 -1.437 -2.893) 4.166 11.404 ( 50.565 -68.450 144.979) 168.111 12.020 ( 21.758 0.674 14.606) 26.214 12.469 ( -0.473 -1.017 3.435) 3.613 12.541 ( -8.232 0.061 6.527) 10.506 16.956 ( -1.977 -1.548 3.646) 4.427 17.057 ( -54.441 -74.611 14.298) 93.462 17.843 ( -1.786 0.270 -0.453) 1.862 18.839 ( 11.262 24.204 -16.985) 31.641 ======================= Grid point 93 (35/250) ======================= q-point: ( 0.11 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 5.467 0.000 16.979) 17.837 0.989 ( 0.006 0.000 22.549) 22.549 1.576 ( 8.662 0.000 16.303) 18.461 1.669 ( -1.241 -0.000 1.059) 1.631 2.119 ( 3.181 0.000 -5.181) 6.080 2.249 ( 4.673 0.000 -3.944) 6.115 2.598 ( -0.664 -0.000 5.663) 5.702 2.602 ( -4.955 -0.000 7.279) 8.805 3.164 ( -1.012 -0.000 -3.613) 3.752 3.326 ( 8.814 0.000 -13.814) 16.387 4.231 ( 4.122 0.000 -5.946) 7.235 4.975 ( 1.157 0.000 2.629) 2.872 5.186 ( -1.061 -0.000 2.519) 2.733 6.329 ( 3.660 0.000 -4.708) 5.963 6.638 ( -8.362 -0.000 11.652) 14.342 9.265 ( 5.324 0.000 -3.299) 6.264 10.970 ( -80.668 -0.000 33.791) 87.459 11.927 ( 3.662 0.000 -7.477) 8.326 12.458 ( -1.370 -0.000 4.631) 4.829 12.779 ( -37.427 -0.000 35.315) 51.458 16.509 ( 22.624 0.000 -15.525) 27.438 16.984 ( -0.325 -0.000 1.953) 1.980 17.775 ( 2.620 0.000 -3.405) 4.297 18.317 ( 5.834 0.000 4.677) 7.477 ======================= Grid point 94 (36/250) ======================= q-point: ( 0.22 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 7.735 -0.634 14.861) 16.765 1.196 ( 0.117 -2.351 18.635) 18.783 1.629 ( -0.902 3.133 -0.875) 3.375 1.752 ( 2.487 -3.956 -1.659) 4.958 2.105 ( 2.915 3.888 -1.745) 5.163 2.301 ( 0.190 -3.042 -0.616) 3.110 2.588 ( -0.358 4.593 9.737) 10.772 2.700 ( -0.552 -3.822 7.709) 8.622 3.113 ( -0.695 -1.229 -5.926) 6.092 3.287 ( 3.060 -0.434 -11.865) 12.261 4.259 ( 6.857 -0.095 -5.155) 8.579 5.009 ( 0.713 0.907 2.804) 3.032 5.212 ( -0.099 -1.624 2.623) 3.087 6.341 ( 3.751 -0.147 -4.114) 5.569 6.633 ( -8.386 -0.675 11.903) 14.576 9.302 ( 5.151 1.963 -2.450) 6.032 10.275 ( -56.057 3.536 28.109) 62.809 11.913 ( 2.974 -0.088 -5.707) 6.436 12.497 ( -0.042 -0.415 5.009) 5.026 12.638 ( -16.970 3.226 20.005) 26.431 16.546 ( 7.381 5.671 -9.290) 13.150 17.006 ( -0.250 -1.250 0.724) 1.466 17.805 ( 5.184 -0.632 -3.122) 6.085 18.485 ( 6.088 -5.033 3.134) 8.498 ======================= Grid point 95 (37/250) ======================= q-point: ( 0.33 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 7.160 0.543 8.703) 11.283 1.380 ( 0.006 -2.467 13.253) 13.481 1.550 ( -1.945 3.469 -0.019) 3.977 1.776 ( 0.344 -4.179 -5.757) 7.122 2.049 ( -2.727 6.300 1.778) 7.091 2.291 ( -3.191 -2.992 -3.814) 5.804 2.623 ( -1.220 2.476 7.222) 7.731 2.774 ( 0.260 1.148 1.403) 1.831 3.080 ( 0.223 -3.516 -6.554) 7.441 3.266 ( 3.130 -2.379 -1.705) 4.285 4.316 ( 7.316 0.389 -4.357) 8.524 5.024 ( -0.572 1.115 3.137) 3.378 5.261 ( 0.211 -1.625 2.924) 3.352 6.360 ( 3.496 -0.249 -3.675) 5.078 6.640 ( -8.608 -1.354 12.526) 15.259 9.311 ( 2.477 4.067 0.866) 4.840 9.815 ( -35.013 1.140 14.891) 38.064 11.912 ( 3.607 0.358 -4.101) 5.473 12.540 ( -3.361 1.137 8.290) 9.017 12.587 ( -6.312 0.801 10.600) 12.363 16.462 ( -1.560 2.948 -4.697) 5.760 17.013 ( -0.471 -0.235 0.132) 0.543 17.866 ( 5.299 -0.560 -1.884) 5.652 18.640 ( 6.411 -2.218 1.791) 7.016 ======================= Grid point 96 (38/250) ======================= q-point: (-0.56 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.100 9.136 -3.468) 9.773 1.459 ( -0.490 1.036 6.523) 6.623 1.590 ( -0.216 -2.355 9.135) 9.436 1.768 ( -1.374 -2.352 -5.921) 6.517 1.924 ( -6.289 4.624 2.568) 8.218 2.218 ( -4.311 -1.112 -4.956) 6.662 2.609 ( -3.601 2.165 3.696) 5.596 2.739 ( 1.389 1.866 -2.400) 3.343 3.069 ( -0.475 -4.572 -6.716) 8.139 3.397 ( 5.749 -3.405 4.720) 8.181 4.361 ( 5.562 1.304 -3.566) 6.734 5.023 ( -2.110 0.781 3.257) 3.958 5.304 ( -0.186 -0.414 3.431) 3.461 6.374 ( 2.867 -0.090 -3.590) 4.595 6.653 ( -9.081 -1.534 13.149) 16.053 9.280 ( -9.635 3.982 12.957) 16.631 9.534 ( -12.005 0.211 -2.161) 12.199 11.931 ( 5.126 1.045 -3.178) 6.120 12.533 ( -4.734 2.299 9.150) 10.555 12.612 ( -3.140 -0.860 6.269) 7.064 16.363 ( -7.362 -1.799 -1.158) 7.666 17.008 ( -0.219 0.247 0.024) 0.331 17.920 ( 3.546 0.302 -0.758) 3.638 18.760 ( 7.772 0.751 1.536) 7.958 ======================= Grid point 97 (39/250) ======================= q-point: (-0.44 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -3.876 13.586 -5.242) 15.070 1.390 ( -9.957 7.666 0.751) 12.589 1.614 ( -10.169 6.698 -3.773) 12.747 1.691 ( 2.475 -1.039 5.474) 6.097 1.884 ( -1.185 -3.897 1.267) 4.266 2.191 ( -0.585 -3.631 2.212) 4.292 2.553 ( -3.471 2.212 1.054) 4.249 2.756 ( 4.890 0.059 -1.121) 5.017 3.057 ( -1.250 -4.601 -5.739) 7.461 3.537 ( 3.669 -2.419 1.706) 4.714 4.371 ( 3.137 1.960 -2.953) 4.734 5.005 ( -3.496 0.328 3.037) 4.643 5.324 ( -0.970 1.316 3.527) 3.888 6.374 ( 2.213 0.208 -3.877) 4.469 6.663 ( -9.594 -1.280 13.630) 16.717 9.175 ( -23.953 0.826 24.316) 34.142 9.454 ( 8.685 1.954 -8.345) 12.202 11.967 ( 6.755 1.903 -3.343) 7.773 12.524 ( -2.913 1.959 6.161) 7.091 12.618 ( -5.435 -0.582 6.136) 8.218 16.288 ( -11.968 -6.864 2.567) 14.034 17.002 ( -0.384 0.331 0.266) 0.573 17.939 ( 1.542 1.585 -0.160) 2.217 18.875 ( 9.356 2.338 1.760) 9.803 ======================= Grid point 98 (40/250) ======================= q-point: (-0.33 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -2.554 13.099 0.593) 13.359 1.047 ( -13.377 12.050 -8.867) 20.069 1.332 ( -14.933 13.318 10.063) 22.397 1.769 ( 1.092 0.535 4.082) 4.259 1.951 ( 0.719 -5.757 -0.851) 5.864 2.294 ( 1.522 -4.559 5.440) 7.259 2.482 ( -2.690 1.549 -1.503) 3.449 2.834 ( 7.975 -0.175 -3.293) 8.630 3.046 ( -1.470 -4.205 -3.877) 5.906 3.569 ( -0.804 -0.299 -3.473) 3.577 4.351 ( 1.240 1.768 -2.720) 3.473 4.976 ( -4.111 0.001 2.774) 4.960 5.307 ( -1.892 2.950 2.874) 4.532 6.361 ( 1.975 0.329 -4.410) 4.844 6.667 ( -9.828 -1.012 13.879) 17.036 9.095 ( -18.703 -0.940 24.800) 31.076 9.575 ( 6.670 -1.681 15.299) 16.774 12.006 ( 7.925 2.543 -4.383) 9.406 12.511 ( -1.736 1.550 2.340) 3.300 12.590 ( -7.435 -0.338 6.261) 9.726 16.239 ( -17.619 -11.208 6.500) 21.870 16.992 ( -1.018 0.665 1.018) 1.586 17.924 ( 0.311 2.499 -0.132) 2.522 18.991 ( 9.717 2.770 0.803) 10.136 ======================= Grid point 99 (41/250) ======================= q-point: (-0.22 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -1.895 8.749 10.601) 13.875 0.651 ( -4.491 16.854 -3.863) 17.865 1.082 ( -15.898 14.497 21.918) 30.713 1.774 ( -3.001 3.591 6.016) 7.622 2.024 ( 2.093 -6.524 -4.174) 8.023 2.374 ( -0.490 0.313 -2.686) 2.749 2.460 ( 0.900 -3.164 3.449) 4.766 2.881 ( 8.643 2.877 -10.685) 14.041 3.058 ( -0.237 -3.877 -1.594) 4.198 3.460 ( -4.512 3.748 -5.521) 8.055 4.319 ( 0.431 0.505 -3.426) 3.490 4.948 ( -3.545 -0.009 2.960) 4.618 5.258 ( -2.354 3.392 2.182) 4.670 6.344 ( 2.279 0.217 -4.960) 5.463 6.668 ( -9.692 -0.686 13.589) 16.705 9.124 ( -6.335 -2.196 12.974) 14.604 10.129 ( -5.774 -27.950 77.469) 82.559 12.049 ( 8.201 1.692 -4.157) 9.348 12.476 ( -1.589 0.915 -1.543) 2.397 12.540 ( -7.931 -0.104 6.030) 9.964 16.167 ( -25.763 -12.595 9.995) 30.369 16.979 ( -1.135 1.148 2.348) 2.850 17.888 ( -0.266 2.691 -0.660) 2.784 19.061 ( 6.412 2.867 -5.988) 9.229 ======================= Grid point 100 (42/250) ======================= q-point: (-0.11 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( -6.732 9.374 9.295) 14.818 0.643 ( 8.581 10.564 17.546) 22.206 1.001 ( -7.329 10.139 33.557) 35.813 1.728 ( -4.105 4.360 6.539) 8.867 2.081 ( 2.360 -5.689 -7.166) 9.450 2.308 ( 0.361 1.478 -5.405) 5.616 2.540 ( -0.845 -2.198 2.529) 3.456 2.779 ( 2.372 8.400 -10.080) 13.334 3.113 ( 3.716 -3.258 -0.911) 5.025 3.329 ( 1.223 5.074 -3.096) 6.068 4.286 ( 0.667 -0.420 -5.493) 5.549 4.934 ( -2.035 0.206 2.817) 3.482 5.212 ( -1.969 2.245 2.446) 3.860 6.331 ( 2.867 0.071 -5.258) 5.989 6.662 ( -9.164 -0.088 12.767) 15.716 9.177 ( 1.488 -1.520 0.691) 2.237 11.427 ( -31.841 -69.090 76.785) 108.089 12.152 ( -6.454 -11.564 4.581) 14.013 12.483 ( -5.480 -1.422 7.133) 9.106 12.512 ( -5.666 -15.558 22.625) 28.037 16.008 ( -20.729 -3.297 10.337) 23.397 16.981 ( -0.515 1.069 3.356) 3.560 17.841 ( -0.468 2.246 -1.616) 2.806 18.867 ( -4.818 15.578 -19.870) 25.704 ======================= Grid point 103 (43/250) ======================= q-point: ( 0.22 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 8.491 0.000 12.163) 14.833 1.342 ( -0.347 -0.000 16.062) 16.066 1.653 ( 1.198 0.000 -0.538) 1.314 1.669 ( -2.033 -0.000 -8.427) 8.669 2.164 ( 2.333 0.000 -0.027) 2.333 2.223 ( -6.420 -0.000 -1.406) 6.572 2.659 ( -3.906 -0.000 6.696) 7.752 2.788 ( 3.195 0.000 5.019) 5.950 3.028 ( -0.786 -0.000 -7.794) 7.834 3.232 ( 2.503 0.000 -3.632) 4.411 4.321 ( 7.693 0.000 -3.965) 8.654 5.043 ( -0.592 -0.000 2.713) 2.776 5.236 ( 1.198 0.000 3.161) 3.380 6.356 ( 3.416 0.000 -3.544) 4.923 6.621 ( -8.170 -0.000 11.804) 14.356 9.371 ( 6.695 0.000 -3.642) 7.622 9.825 ( -41.844 -0.000 19.391) 46.118 11.916 ( 3.805 0.000 -3.841) 5.407 12.543 ( -0.064 -0.000 5.358) 5.358 12.610 ( -12.092 -0.000 14.926) 19.209 16.514 ( -2.910 -0.000 -8.751) 9.223 17.008 ( 0.491 0.000 0.399) 0.633 17.862 ( 6.790 0.000 -2.805) 7.347 18.603 ( 8.538 0.000 4.208) 9.518 ======================= Grid point 104 (44/250) ======================= q-point: ( 0.33 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 6.637 4.399 5.059) 9.433 1.467 ( -1.857 -2.957 9.616) 10.231 1.537 ( -2.428 1.503 -2.664) 3.905 1.705 ( 2.465 -2.247 0.037) 3.336 2.062 ( -8.163 4.563 -0.446) 9.362 2.196 ( -1.518 -0.981 -1.186) 2.162 2.644 ( -5.610 0.741 5.375) 7.805 2.774 ( -1.392 0.997 -4.884) 5.175 2.966 ( -0.548 -3.005 -7.803) 8.379 3.331 ( 6.602 -1.585 5.843) 8.958 4.385 ( 6.219 0.567 -3.106) 6.975 5.042 ( -2.463 0.540 2.779) 3.753 5.294 ( 1.961 -0.283 3.634) 4.140 6.369 ( 2.897 -0.144 -3.398) 4.467 6.623 ( -7.938 -0.707 12.025) 14.426 9.391 ( -5.490 4.544 4.645) 8.506 9.500 ( -18.510 -2.785 5.467) 19.500 11.949 ( 5.241 0.377 -2.420) 5.785 12.575 ( -4.769 1.089 8.447) 9.761 12.594 ( -4.411 -0.552 7.655) 8.853 16.360 ( -7.986 0.551 -5.639) 9.792 17.016 ( 0.402 0.273 0.151) 0.508 17.929 ( 5.769 0.319 -1.827) 6.060 18.765 ( 9.239 -0.111 2.955) 9.701 ======================= Grid point 105 (45/250) ======================= q-point: (-0.56 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -4.163 9.717 -6.623) 12.475 1.531 ( -2.241 1.351 2.386) 3.541 1.572 ( 2.482 -2.993 3.392) 5.160 1.765 ( 1.731 1.479 4.377) 4.933 1.890 ( -8.463 3.714 2.152) 9.489 2.144 ( -2.538 0.544 -0.636) 2.673 2.587 ( -6.418 0.771 3.052) 7.149 2.730 ( 0.522 -1.924 -3.097) 3.683 2.939 ( -0.739 -4.387 -6.219) 7.646 3.490 ( 5.605 -1.277 4.238) 7.142 4.416 ( 3.847 1.465 -2.994) 5.090 5.017 ( -3.867 0.438 2.830) 4.812 5.351 ( 1.509 0.874 3.801) 4.182 6.375 ( 2.306 -0.079 -3.753) 4.405 6.635 ( -7.875 -0.892 12.345) 14.671 9.198 ( -24.308 0.969 18.487) 30.554 9.482 ( 7.460 0.494 -6.960) 10.215 12.004 ( 6.691 1.082 -2.022) 7.073 12.564 ( -4.195 1.202 6.589) 7.903 12.605 ( -4.278 -0.477 5.271) 6.805 16.200 ( -10.218 -1.279 -1.846) 10.462 17.017 ( 0.150 0.699 0.551) 0.903 17.974 ( 3.773 1.136 -1.082) 4.086 18.911 ( 9.324 0.838 1.734) 9.521 ======================= Grid point 106 (46/250) ======================= q-point: (-0.44 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -6.780 9.013 -4.286) 12.066 1.366 ( -4.264 12.654 -5.498) 14.440 1.597 ( -5.402 6.367 5.812) 10.173 1.796 ( -0.748 3.177 6.467) 7.244 1.833 ( -0.584 -3.548 2.568) 4.418 2.179 ( 1.320 -4.363 4.268) 6.245 2.503 ( -6.929 0.339 0.453) 6.952 2.774 ( 3.601 -4.180 -2.931) 6.248 2.939 ( -0.659 -4.306 -3.319) 5.477 3.573 ( 2.096 0.505 0.525) 2.219 4.402 ( 1.918 2.125 -3.622) 4.616 4.980 ( -4.241 0.272 2.872) 5.129 5.375 ( 0.093 2.465 3.173) 4.019 6.366 ( 1.959 0.112 -4.428) 4.843 6.649 ( -7.963 -0.559 12.698) 14.999 9.079 ( -20.326 -0.434 24.528) 31.858 9.544 ( 7.696 -0.825 -1.741) 7.934 12.062 ( 7.430 1.944 -3.093) 8.279 12.545 ( -2.520 1.150 2.303) 3.602 12.582 ( -6.409 -0.302 5.109) 8.202 16.081 ( -10.980 -3.101 2.255) 11.630 17.015 ( -0.225 1.052 1.485) 1.834 17.985 ( 1.936 2.185 -0.804) 3.028 19.033 ( 8.221 1.032 0.220) 8.289 ======================= Grid point 107 (47/250) ======================= q-point: (-0.33 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -3.238 7.792 6.063) 10.390 1.092 ( 1.043 17.798 -4.659) 18.428 1.430 ( -11.094 13.036 14.067) 22.156 1.837 ( 1.380 0.583 3.688) 3.981 1.888 ( -1.112 -3.673 1.064) 3.983 2.317 ( 2.543 -4.722 5.480) 7.668 2.403 ( -6.578 -0.989 -1.782) 6.886 2.851 ( 5.033 -4.377 -6.652) 9.420 2.970 ( 0.607 -3.365 0.233) 3.427 3.545 ( -1.187 3.163 -2.302) 4.088 4.357 ( 0.940 2.149 -4.562) 5.130 4.950 ( -3.405 0.194 3.073) 4.591 5.350 ( -1.475 3.754 2.062) 4.530 6.349 ( 2.169 0.187 -5.092) 5.538 6.659 ( -8.113 -0.125 13.038) 15.357 9.085 ( -13.392 -0.958 24.566) 27.995 9.731 ( 0.645 -8.743 20.714) 22.492 12.100 ( 6.832 2.253 -5.041) 8.784 12.501 ( -2.026 1.018 -2.156) 3.128 12.536 ( -7.113 -0.201 5.349) 8.902 16.008 ( -10.366 -2.957 5.912) 12.294 17.012 ( -0.591 1.438 2.712) 3.126 17.962 ( 0.675 3.030 -0.950) 3.247 19.103 ( 4.773 1.021 -3.129) 5.798 ======================= Grid point 108 (48/250) ======================= q-point: (-0.22 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -1.788 11.916 8.117) 14.528 0.954 ( 8.776 14.313 5.958) 17.815 1.293 ( -6.983 12.649 22.169) 26.462 1.839 ( -3.874 3.631 5.994) 8.008 1.938 ( 2.122 -5.391 -3.858) 6.961 2.310 ( -4.124 -0.982 -2.759) 5.058 2.450 ( 0.429 -4.614 3.921) 6.070 2.872 ( 3.434 -0.883 -9.961) 10.573 3.042 ( 3.043 -2.552 1.774) 4.350 3.450 ( -0.286 4.515 -3.864) 5.950 4.300 ( 1.004 1.508 -5.401) 5.697 4.940 ( -1.947 0.231 3.206) 3.758 5.291 ( -2.066 3.883 1.691) 4.712 6.333 ( 2.851 0.110 -5.445) 6.147 6.664 ( -8.288 0.258 13.170) 15.563 9.143 ( -5.025 -0.811 12.416) 13.419 10.199 ( -18.848 -27.882 57.381) 66.522 12.102 ( 3.719 1.163 -6.333) 7.436 12.434 ( -1.625 0.253 -3.650) 4.004 12.493 ( -5.916 0.255 5.474) 8.064 15.977 ( -5.123 -0.317 7.771) 9.313 17.014 ( -0.643 1.552 3.643) 4.012 17.914 ( -0.059 3.429 -1.472) 3.732 19.053 ( -1.094 3.371 -9.000) 9.673 ======================= Grid point 109 (49/250) ======================= q-point: (-0.11 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.491 12.253 11.047) 16.505 0.997 ( 2.782 10.431 15.332) 18.751 1.384 ( 5.834 7.230 23.726) 25.480 1.773 ( -4.496 3.141 3.109) 6.305 1.993 ( 2.840 -4.299 -5.135) 7.274 2.271 ( -0.497 -1.342 -1.302) 1.935 2.506 ( -2.603 -2.276 2.404) 4.211 2.796 ( -0.086 3.927 -5.095) 6.434 3.135 ( 3.696 -1.911 0.334) 4.174 3.379 ( 4.652 2.817 -8.568) 10.149 4.254 ( 2.134 0.786 -6.022) 6.437 4.945 ( -0.772 0.361 2.831) 2.957 5.243 ( -1.337 2.806 2.214) 3.816 6.327 ( 3.531 0.062 -5.339) 6.401 6.662 ( -8.425 0.655 12.905) 15.426 9.188 ( -0.156 -1.183 3.060) 3.285 10.742 ( -51.543 -38.219 62.535) 89.599 12.036 ( -0.419 1.675 -8.945) 9.110 12.449 ( -4.558 -5.498 8.735) 11.283 12.475 ( -2.745 -0.607 6.535) 7.114 16.060 ( 9.216 -1.023 4.959) 10.515 17.022 ( -0.421 1.274 3.334) 3.594 17.854 ( -0.052 3.272 -2.208) 3.947 18.821 ( -4.549 10.662 -11.588) 16.391 ======================= Grid point 113 (50/250) ======================= q-point: ( 0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -10.353 -0.000 -9.955) 14.363 1.428 ( 8.721 0.000 4.026) 9.606 1.604 ( -0.980 -0.000 11.150) 11.193 1.775 ( 5.168 0.000 3.924) 6.489 1.942 ( -9.320 -0.000 -1.796) 9.491 2.177 ( -2.780 -0.000 0.701) 2.867 2.598 ( -7.733 -0.000 3.988) 8.700 2.692 ( -2.190 -0.000 -5.683) 6.091 2.878 ( -0.211 -0.000 -5.401) 5.405 3.475 ( 6.735 0.000 5.089) 8.441 4.435 ( 4.106 0.000 -2.934) 5.046 5.023 ( -4.101 -0.000 2.695) 4.907 5.363 ( 2.535 0.000 3.911) 4.661 6.373 ( 2.409 0.000 -3.706) 4.420 6.623 ( -7.208 -0.000 12.000) 13.999 9.213 ( -24.970 -0.000 15.641) 29.464 9.487 ( 7.324 0.000 -5.651) 9.251 12.018 ( 6.728 0.000 -1.561) 6.907 12.581 ( -5.008 -0.000 6.777) 8.426 12.597 ( -3.540 -0.000 4.946) 6.082 16.189 ( -9.977 -0.000 -3.470) 10.564 17.027 ( 0.267 0.000 0.684) 0.735 17.989 ( 4.619 0.000 -1.609) 4.891 18.921 ( 9.406 0.000 1.902) 9.597 ======================= Grid point 114 (51/250) ======================= q-point: (-0.56 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -10.156 3.764 -6.426) 12.593 1.567 ( 6.821 1.757 -0.690) 7.077 1.669 ( -2.228 2.280 10.974) 11.427 1.800 ( -4.374 1.527 0.190) 4.637 1.887 ( 0.360 0.674 5.284) 5.339 2.123 ( -2.076 0.530 0.552) 2.213 2.506 ( -8.884 0.046 1.816) 9.068 2.657 ( 0.090 -3.990 -3.789) 5.503 2.859 ( -0.074 -1.783 -1.076) 2.084 3.585 ( 4.212 0.289 1.798) 4.589 4.442 ( 2.366 0.916 -4.048) 4.777 4.986 ( -4.416 0.130 2.850) 5.257 5.420 ( 1.222 0.985 3.437) 3.778 6.368 ( 2.153 0.010 -4.464) 4.956 6.639 ( -6.899 -0.223 12.337) 14.137 9.072 ( -20.057 -0.154 22.651) 30.255 9.532 ( 7.034 -0.215 -6.189) 9.372 12.097 ( 7.423 0.773 -2.211) 7.783 12.565 ( -3.102 0.403 2.348) 3.911 12.576 ( -5.637 -0.135 4.271) 7.073 16.042 ( -8.981 -0.555 0.322) 9.004 17.036 ( -0.098 0.527 1.775) 1.854 18.024 ( 3.041 0.870 -1.435) 3.474 19.049 ( 7.677 0.333 0.141) 7.685 ======================= Grid point 115 (52/250) ======================= q-point: (-0.44 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -3.576 5.059 4.227) 7.500 1.489 ( 1.865 13.629 -2.855) 14.050 1.683 ( -4.234 6.259 8.810) 11.607 1.793 ( -0.738 -1.873 2.467) 3.184 1.871 ( -2.757 0.939 4.336) 5.223 2.191 ( 2.519 -4.608 3.899) 6.540 2.392 ( -8.423 -0.214 0.176) 8.427 2.706 ( 2.280 -6.294 -4.208) 7.907 2.897 ( 0.562 -2.392 2.990) 3.870 3.609 ( 0.834 1.833 -1.389) 2.446 4.407 ( 1.583 1.677 -5.787) 6.230 4.955 ( -3.505 0.166 3.143) 4.711 5.429 ( -0.840 2.371 2.361) 3.450 6.353 ( 2.300 0.116 -5.283) 5.763 6.658 ( -7.224 0.015 12.910) 14.794 9.071 ( -15.698 -0.250 29.929) 33.798 9.595 ( 4.952 -3.156 -1.101) 5.975 12.151 ( 6.541 1.698 -4.732) 8.250 12.521 ( -2.587 0.553 -1.990) 3.310 12.531 ( -6.188 -0.172 4.311) 7.544 15.967 ( -5.987 -0.781 4.521) 7.543 17.044 ( -0.507 1.014 3.014) 3.221 18.026 ( 1.637 1.960 -1.385) 2.905 19.120 ( 4.255 0.451 -2.216) 4.819 ======================= Grid point 116 (53/250) ======================= q-point: (-0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 3.513 7.421 11.712) 14.303 1.324 ( 5.490 14.960 -2.220) 16.089 1.587 ( -6.393 10.167 13.325) 17.939 1.832 ( -0.912 -2.228 0.802) 2.537 1.882 ( -2.480 -0.652 4.764) 5.410 2.257 ( -6.861 -3.738 -0.104) 7.813 2.353 ( 2.155 -2.347 2.852) 4.276 2.779 ( 3.040 -5.467 -4.837) 7.908 2.983 ( 2.084 -2.387 4.794) 5.747 3.545 ( -1.400 3.060 -4.306) 5.465 4.347 ( 1.807 1.979 -7.080) 7.570 4.945 ( -1.958 0.200 3.460) 3.981 5.386 ( -2.403 3.422 1.550) 4.460 6.336 ( 2.911 0.120 -5.758) 6.453 6.672 ( -7.878 0.334 13.583) 15.706 9.148 ( -9.840 1.109 24.072) 26.030 9.764 ( -3.962 -10.870 18.883) 22.145 12.143 ( 3.393 1.753 -7.531) 8.444 12.447 ( -1.790 0.557 -5.696) 5.996 12.499 ( -4.772 0.193 5.707) 7.442 15.976 ( -1.448 0.107 7.713) 7.848 17.051 ( -0.947 1.347 3.874) 4.210 17.997 ( 0.579 3.015 -1.459) 3.399 19.104 ( -0.488 1.194 -5.460) 5.610 ======================= Grid point 117 (54/250) ======================= q-point: (-0.22 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 2.216 13.712 7.799) 15.930 1.276 ( 6.034 11.516 6.820) 14.681 1.566 ( 1.012 6.511 15.285) 16.645 1.787 ( -6.703 -1.053 -1.813) 7.023 1.926 ( 0.500 -1.509 3.390) 3.744 2.221 ( -3.030 -2.550 1.719) 4.317 2.438 ( 0.977 -2.892 1.455) 3.382 2.819 ( 1.465 -1.603 -3.394) 4.029 3.089 ( 3.278 -1.878 3.715) 5.299 3.438 ( -0.675 2.001 -7.778) 8.060 4.288 ( 2.890 1.785 -7.388) 8.131 4.955 ( -0.786 0.419 3.465) 3.577 5.320 ( -2.537 3.296 1.723) 4.502 6.328 ( 3.683 0.024 -5.688) 6.777 6.679 ( -8.455 0.662 14.043) 16.405 9.189 ( -4.627 1.594 10.920) 11.967 10.063 ( -20.681 -18.804 38.770) 47.795 12.072 ( 0.193 1.231 -8.740) 8.829 12.379 ( -0.758 -0.883 -3.420) 3.612 12.496 ( -2.173 1.081 5.748) 6.239 16.064 ( 4.363 0.904 8.397) 9.506 17.055 ( -1.310 1.315 3.809) 4.237 17.944 ( 0.008 3.764 -1.685) 4.124 18.976 ( -4.351 3.385 -8.275) 9.943 ======================= Grid point 118 (55/250) ======================= q-point: (-0.11 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 3.640 12.249 9.784) 16.094 1.278 ( 1.442 10.044 12.135) 15.818 1.638 ( -5.574 2.415 4.779) 7.729 1.740 ( 4.405 -2.978 1.073) 5.425 1.967 ( 0.104 -1.376 0.164) 1.389 2.284 ( 2.850 -1.547 6.654) 7.402 2.467 ( -1.574 -1.135 0.546) 2.016 2.800 ( -1.249 2.077 0.531) 2.481 3.167 ( 2.366 -0.395 0.337) 2.422 3.349 ( 2.047 -0.249 -10.965) 11.157 4.255 ( 4.614 1.204 -6.908) 8.394 4.970 ( -0.552 0.642 3.176) 3.287 5.278 ( -1.335 2.237 2.346) 3.506 6.333 ( 4.136 0.019 -5.130) 6.590 6.676 ( -8.816 1.106 13.958) 16.546 9.198 ( -1.890 -0.176 4.144) 4.559 10.249 ( -37.126 -17.179 36.769) 55.003 11.976 ( 0.363 1.121 -8.430) 8.512 12.406 ( -2.348 -4.431 5.963) 7.791 12.514 ( -0.751 1.289 5.764) 5.954 16.224 ( 8.826 -0.975 5.536) 10.464 17.050 ( -1.573 0.938 2.536) 3.128 17.882 ( 0.532 3.762 -1.933) 4.263 18.778 ( -3.872 5.801 -7.483) 10.229 ======================= Grid point 123 (56/250) ======================= q-point: ( 0.44 -0.56 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -4.055 -0.000 3.643) 5.451 1.700 ( 8.961 0.000 -1.219) 9.043 1.731 ( -7.408 -0.000 13.049) 15.005 1.765 ( -1.623 -0.000 2.384) 2.884 1.896 ( -4.325 -0.000 -1.298) 4.515 2.130 ( 2.555 0.000 1.603) 3.016 2.388 ( -9.047 -0.000 0.823) 9.084 2.611 ( 1.367 0.000 -1.837) 2.290 2.865 ( 0.234 0.000 4.020) 4.027 3.632 ( 1.454 0.000 -1.161) 1.860 4.429 ( 1.804 0.000 -6.237) 6.493 4.957 ( -3.552 -0.000 3.171) 4.761 5.459 ( -0.657 -0.000 2.529) 2.613 6.354 ( 2.399 0.000 -5.370) 5.881 6.659 ( -6.903 -0.000 12.905) 14.635 9.069 ( -16.014 -0.000 31.667) 35.486 9.557 ( 5.912 0.000 -7.039) 9.192 12.173 ( 6.533 0.000 -4.540) 7.955 12.529 ( -6.274 -0.000 4.450) 7.692 12.529 ( -2.366 -0.000 -2.465) 3.417 15.959 ( -5.041 -0.000 4.129) 6.516 17.057 ( -0.575 -0.000 3.134) 3.186 18.051 ( 2.055 0.000 -1.611) 2.611 19.126 ( 4.105 0.000 -2.012) 4.572 ======================= Grid point 125 (57/250) ======================= q-point: (-0.44 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 5.391 2.535 11.870) 13.281 1.649 ( 1.426 10.448 -2.865) 10.927 1.741 ( -7.825 2.571 7.873) 11.394 1.814 ( 0.719 -1.666 3.222) 3.698 1.839 ( -2.700 -1.598 3.362) 4.599 2.168 ( -3.245 -2.283 0.235) 3.975 2.321 ( -0.286 -0.589 1.428) 1.571 2.658 ( 3.059 -3.261 0.102) 4.472 2.932 ( 0.905 -1.316 6.907) 7.089 3.596 ( -1.952 1.077 -4.464) 4.989 4.384 ( 2.244 0.845 -8.161) 8.506 4.949 ( -1.983 0.097 3.611) 4.121 5.446 ( -2.620 1.321 1.715) 3.399 6.338 ( 2.953 0.056 -6.004) 6.691 6.678 ( -7.768 0.132 13.797) 15.834 9.183 ( -13.128 1.199 36.268) 38.589 9.588 ( 3.229 -3.703 -3.238) 5.884 12.176 ( 2.719 0.800 -8.161) 8.639 12.456 ( -1.842 0.183 -6.376) 6.639 12.502 ( -3.965 0.084 6.114) 7.288 15.979 ( -0.033 0.088 7.941) 7.942 17.075 ( -1.159 0.528 4.012) 4.209 18.051 ( 1.109 1.194 -1.532) 2.237 19.122 ( -0.335 0.340 -4.344) 4.370 ======================= Grid point 126 (58/250) ======================= q-point: (-0.33 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 6.450 7.648 10.597) 14.574 1.527 ( 5.170 7.287 -4.049) 9.809 1.660 ( -8.420 3.064 7.633) 11.771 1.811 ( -7.420 1.396 3.394) 8.278 1.879 ( 0.119 -1.806 4.918) 5.241 2.157 ( -1.480 -2.362 2.420) 3.691 2.378 ( 3.257 -1.632 0.238) 3.651 2.757 ( 3.643 -2.617 2.088) 4.947 3.039 ( 1.819 -2.061 6.816) 7.349 3.477 ( -4.247 1.139 -8.150) 9.260 4.330 ( 3.343 1.370 -8.777) 9.492 4.964 ( -0.608 0.284 3.958) 4.015 5.392 ( -3.748 2.248 1.572) 4.644 6.328 ( 3.660 -0.019 -6.062) 7.081 6.691 ( -8.737 0.307 14.767) 17.161 9.269 ( -7.899 4.719 20.798) 22.742 9.715 ( -6.768 -10.655 16.351) 20.656 12.096 ( -0.510 0.711 -9.271) 9.312 12.371 ( -0.673 -0.111 -7.143) 7.176 12.521 ( -1.462 0.788 6.485) 6.694 16.090 ( 4.451 0.991 10.254) 11.222 17.083 ( -1.817 0.902 4.024) 4.506 18.025 ( 0.262 2.531 -1.250) 2.835 19.028 ( -4.385 1.198 -6.569) 7.988 ======================= Grid point 127 (59/250) ======================= q-point: (-0.22 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 1.428 11.826 4.222) 12.638 1.530 ( 0.663 9.501 7.497) 12.121 1.611 ( -1.702 -4.673 -3.073) 5.846 1.707 ( -6.729 1.158 6.058) 9.128 1.933 ( -0.694 -1.582 2.450) 2.998 2.242 ( 3.363 -1.872 6.806) 7.819 2.433 ( 2.201 -1.459 -1.159) 2.884 2.832 ( 0.855 0.835 3.188) 3.404 3.143 ( 2.132 -1.598 4.012) 4.816 3.332 ( -2.628 -0.928 -10.281) 10.652 4.289 ( 4.585 1.378 -8.215) 9.508 4.989 ( -0.380 0.789 3.942) 4.038 5.330 ( -3.342 1.962 2.188) 4.450 6.331 ( 4.189 -0.188 -5.548) 6.955 6.698 ( -9.406 0.569 15.397) 18.052 9.248 ( -4.707 4.308 7.912) 10.165 9.890 ( -18.545 -12.292 25.093) 33.536 11.995 ( -0.647 0.419 -8.752) 8.785 12.334 ( 0.493 -1.788 -2.252) 2.918 12.551 ( -0.789 1.436 6.344) 6.552 16.248 ( 6.854 2.160 10.129) 12.420 17.075 ( -2.408 0.996 3.073) 4.029 17.976 ( -0.283 3.584 -0.962) 3.722 18.867 ( -5.747 1.989 -7.377) 9.561 ======================= Grid point 128 (60/250) ======================= q-point: (-0.11 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.292 6.902 2.052) 7.207 1.464 ( -3.504 4.710 4.632) 7.477 1.552 ( -6.097 2.120 5.514) 8.489 1.780 ( 4.084 -3.090 1.333) 5.292 1.941 ( -1.994 -0.638 0.605) 2.180 2.392 ( 4.477 -2.256 4.978) 7.064 2.448 ( -0.114 -0.171 0.056) 0.213 2.799 ( -4.130 1.286 -0.986) 4.437 3.193 ( 1.719 0.520 -0.798) 1.965 3.281 ( 2.987 -1.331 -4.481) 5.547 4.278 ( 5.710 0.695 -6.928) 9.004 5.001 ( -1.195 1.086 3.701) 4.038 5.300 ( -1.826 1.002 2.879) 3.554 6.346 ( 4.194 -0.232 -4.739) 6.332 6.695 ( -9.773 1.080 15.306) 18.192 9.208 ( -3.453 1.284 4.601) 5.894 9.914 ( -25.368 -8.734 18.203) 32.422 11.921 ( 1.115 -0.018 -7.167) 7.253 12.385 ( -0.905 -3.762 5.298) 6.561 12.578 ( -1.020 1.581 6.427) 6.697 16.390 ( 5.365 2.669 7.291) 9.438 17.049 ( -2.531 0.785 1.510) 3.050 17.920 ( 0.166 3.405 -0.822) 3.507 18.719 ( -2.761 1.635 -5.292) 6.189 ======================= Grid point 134 (61/250) ======================= q-point: ( 0.56 -0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 9.907 0.000 12.180) 15.701 1.601 ( -7.342 -0.000 -7.098) 10.212 1.735 ( -10.609 -0.000 11.510) 15.654 1.830 ( -2.713 -0.000 -1.550) 3.124 1.844 ( 3.382 0.000 4.155) 5.358 2.119 ( -0.564 -0.000 1.327) 1.442 2.364 ( 4.072 0.000 0.295) 4.083 2.720 ( 4.666 0.000 5.345) 7.095 3.008 ( 0.932 0.000 8.239) 8.291 3.492 ( -5.442 -0.000 -8.410) 10.018 4.348 ( 3.482 0.000 -9.283) 9.914 4.968 ( -0.536 -0.000 4.145) 4.179 5.421 ( -4.162 -0.000 1.581) 4.452 6.328 ( 3.602 0.000 -6.222) 7.190 6.695 ( -8.915 -0.000 14.969) 17.423 9.369 ( -14.190 -0.000 40.563) 42.973 9.547 ( 2.452 0.000 -7.089) 7.501 12.105 ( -0.889 -0.000 -9.660) 9.700 12.369 ( -0.741 -0.000 -8.040) 8.074 12.531 ( -1.195 -0.000 6.787) 6.892 16.104 ( 4.928 0.000 10.923) 11.983 17.095 ( -1.925 -0.000 4.088) 4.519 18.058 ( 0.457 0.000 -1.075) 1.168 19.042 ( -4.416 -0.000 -6.099) 7.530 ======================= Grid point 136 (62/250) ======================= q-point: (-0.33 -0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -3.175 7.117 -0.049) 7.794 1.504 ( 1.237 -3.901 3.040) 5.097 1.671 ( -10.362 0.865 10.008) 14.432 1.742 ( -3.749 1.820 -0.940) 4.272 1.922 ( 3.521 1.341 2.115) 4.321 2.179 ( 3.154 -2.832 2.895) 5.133 2.415 ( 3.553 0.007 -0.909) 3.667 2.848 ( 3.764 0.430 6.788) 7.774 3.101 ( 0.958 -1.270 6.921) 7.102 3.313 ( -5.869 -0.447 -10.930) 12.414 4.315 ( 4.440 0.601 -8.969) 10.026 5.004 ( 0.016 0.342 4.531) 4.543 5.367 ( -4.858 0.848 1.999) 5.321 6.326 ( 4.052 -0.131 -5.850) 7.117 6.705 ( -9.921 0.086 16.109) 18.919 9.401 ( -6.412 7.808 11.202) 15.085 9.621 ( -10.196 -9.831 17.017) 22.140 12.000 ( -1.086 0.072 -9.259) 9.323 12.306 ( 0.933 -0.535 -5.756) 5.855 12.577 ( -1.049 0.587 7.029) 7.131 16.297 ( 7.760 1.284 12.491) 14.761 17.094 ( -2.644 0.476 3.299) 4.255 18.043 ( -0.365 1.589 -0.129) 1.635 18.895 ( -6.993 0.457 -7.365) 10.166 ======================= Grid point 137 (63/250) ======================= q-point: (-0.22 -0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -9.765 3.089 -5.276) 11.521 1.518 ( -9.006 -0.307 5.890) 10.766 1.610 ( -6.179 2.936 6.374) 9.350 1.773 ( 6.970 0.495 3.151) 7.665 1.948 ( 2.046 2.594 0.958) 3.440 2.304 ( 3.416 -4.571 3.106) 6.497 2.445 ( 2.122 -0.044 -1.466) 2.580 2.835 ( -6.864 1.430 -4.526) 8.346 3.181 ( 0.959 -1.253 3.538) 3.873 3.244 ( 4.585 -1.285 -1.326) 4.942 4.295 ( 4.853 0.611 -7.725) 9.144 5.032 ( -0.988 1.191 4.477) 4.737 5.316 ( -4.021 0.363 2.828) 4.930 6.337 ( 4.120 -0.402 -5.106) 6.574 6.711 ( -10.587 0.268 16.850) 19.902 9.298 ( -5.103 5.722 3.863) 8.585 9.701 ( -16.509 -8.477 14.610) 23.619 11.916 ( 0.548 -0.261 -8.055) 8.078 12.314 ( 1.513 -1.983 0.136) 2.498 12.612 ( -1.933 1.055 7.374) 7.695 16.489 ( 7.259 4.245 12.180) 14.801 17.070 ( -3.018 0.802 2.000) 3.708 18.004 ( -1.387 3.150 0.675) 3.507 18.729 ( -6.112 -0.513 -6.937) 9.260 ======================= Grid point 138 (64/250) ======================= q-point: (-0.11 -0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -10.797 -1.439 -6.949) 12.920 1.446 ( -11.528 -3.054 6.750) 13.703 1.573 ( -1.821 3.727 6.945) 8.089 1.863 ( 3.577 0.644 -1.039) 3.780 1.940 ( 0.996 3.772 1.774) 4.286 2.390 ( -0.313 -0.111 -5.570) 5.580 2.456 ( -0.932 -3.341 4.107) 5.376 2.670 ( -4.245 -2.435 -7.227) 8.728 3.211 ( 0.520 0.546 -0.682) 1.017 3.367 ( 8.173 1.037 4.011) 9.163 4.298 ( 4.921 -0.160 -5.873) 7.663 5.028 ( -2.453 1.497 4.082) 4.992 5.302 ( -2.583 -0.487 3.450) 4.337 6.355 ( 3.693 -0.546 -4.349) 5.732 6.709 ( -10.964 0.826 16.741) 20.029 9.216 ( -5.599 2.052 6.114) 8.541 9.637 ( -17.067 -5.701 4.611) 18.576 11.880 ( 2.797 -0.862 -6.400) 7.038 12.386 ( -0.124 -3.025 5.574) 6.343 12.632 ( -3.065 1.161 7.472) 8.159 16.581 ( 1.578 8.270 9.555) 12.735 17.035 ( -2.168 0.770 0.830) 2.446 17.947 ( -1.720 2.763 0.516) 3.295 18.648 ( -0.704 -2.758 -3.524) 4.530 ======================= Grid point 145 (65/250) ======================= q-point: (-0.33 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -13.240 -0.000 -5.793) 14.452 1.498 ( -14.314 -0.000 8.022) 16.408 1.707 ( -1.709 -0.000 0.901) 1.932 1.721 ( 5.016 0.000 7.691) 9.182 2.028 ( 7.026 0.000 -0.316) 7.033 2.215 ( 2.145 0.000 2.339) 3.174 2.446 ( 2.320 0.000 -1.544) 2.787 2.856 ( -8.226 -0.000 -6.502) 10.485 3.159 ( 0.299 0.000 5.466) 5.474 3.227 ( 5.595 0.000 0.331) 5.605 4.304 ( 4.490 0.000 -7.987) 9.163 5.048 ( -0.551 -0.000 4.957) 4.987 5.320 ( -5.307 -0.000 2.593) 5.907 6.331 ( 4.034 0.000 -5.258) 6.627 6.714 ( -10.905 -0.000 17.400) 20.535 9.435 ( -0.686 -0.000 -7.316) 7.348 9.533 ( -18.619 -0.000 24.021) 30.392 11.912 ( 0.399 0.000 -8.492) 8.501 12.289 ( 2.086 0.000 -1.668) 2.671 12.626 ( -2.356 -0.000 7.811) 8.158 16.549 ( 9.011 0.000 14.052) 16.693 17.082 ( -3.180 -0.000 2.162) 3.846 18.050 ( -1.304 -0.000 1.806) 2.227 18.717 ( -8.288 -0.000 -8.043) 11.550 ======================= Grid point 146 (66/250) ======================= q-point: (-0.22 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -14.660 0.817 -5.421) 15.651 1.350 ( -18.338 -2.824 7.949) 20.185 1.686 ( -0.183 4.091 3.773) 5.568 1.827 ( -0.282 -2.611 -0.194) 2.633 2.083 ( 6.669 5.924 -0.186) 8.922 2.298 ( 1.990 -5.085 1.558) 5.679 2.448 ( -0.079 0.807 -2.044) 2.199 2.622 ( -8.772 -1.257 -10.274) 13.568 3.205 ( 0.071 -0.555 2.745) 2.802 3.381 ( 10.043 0.219 4.346) 10.945 4.296 ( 3.917 0.002 -6.181) 7.318 5.067 ( -2.443 1.255 4.843) 5.568 5.280 ( -4.499 -0.874 3.249) 5.617 6.342 ( 3.680 -0.341 -4.587) 5.891 6.720 ( -11.594 0.162 18.428) 21.773 9.310 ( -5.317 4.965 -0.014) 7.275 9.486 ( -15.677 -6.013 7.164) 18.255 11.862 ( 2.563 -0.445 -7.420) 7.863 12.331 ( 1.712 -1.200 3.047) 3.696 12.653 ( -4.045 0.454 8.344) 9.284 16.773 ( 7.166 5.307 14.650) 17.151 17.049 ( -2.998 0.254 1.180) 3.232 18.029 ( -2.979 3.106 3.280) 5.411 18.554 ( -6.279 -3.651 -6.925) 10.036 ======================= Grid point 147 (67/250) ======================= q-point: (-0.11 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -14.669 -0.590 -5.398) 15.642 1.229 ( -18.656 -7.151 9.220) 22.005 1.634 ( -6.707 1.385 -2.174) 7.186 1.769 ( -4.986 -1.718 -4.588) 6.990 2.071 ( 4.097 6.758 -1.351) 8.018 2.345 ( -1.615 3.971 -1.288) 4.476 2.409 ( 0.246 -5.544 0.529) 5.575 2.586 ( 3.005 -4.419 -1.085) 5.453 3.213 ( -0.397 0.872 -0.683) 1.177 3.538 ( 9.203 1.433 1.313) 9.406 4.304 ( 3.325 -0.674 -3.989) 5.237 5.042 ( -3.840 1.717 4.144) 5.905 5.277 ( -3.546 -1.938 3.585) 5.402 6.356 ( 3.074 -0.592 -4.121) 5.176 6.720 ( -12.022 0.888 18.435) 22.027 9.206 ( -12.473 1.199 14.021) 18.805 9.387 ( -7.508 -4.909 -5.985) 10.784 11.861 ( 4.787 -1.333 -6.267) 7.998 12.407 ( 0.064 -1.939 5.709) 6.029 12.655 ( -5.587 0.620 8.190) 9.933 16.816 ( -2.516 14.435 12.255) 19.102 17.032 ( -0.672 1.063 1.541) 1.989 17.951 ( -4.181 3.287 1.596) 5.553 18.561 ( 1.519 -9.230 -0.937) 9.401 ======================= Grid point 155 (68/250) ======================= q-point: (-0.22 -0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -15.595 -0.000 -2.478) 15.790 1.126 ( -21.683 -0.000 9.605) 23.715 1.645 ( -13.992 -0.000 -13.111) 19.175 1.748 ( -1.223 -0.000 4.685) 4.842 2.213 ( 7.881 0.000 -5.754) 9.758 2.279 ( -0.510 -0.000 2.154) 2.214 2.450 ( 0.590 0.000 -1.249) 1.381 2.480 ( -0.951 -0.000 0.233) 0.979 3.221 ( -0.201 -0.000 1.426) 1.440 3.554 ( 10.828 0.000 0.057) 10.828 4.295 ( 2.860 0.000 -3.942) 4.870 5.074 ( -4.405 -0.000 4.786) 6.504 5.240 ( -4.262 -0.000 3.344) 5.418 6.347 ( 3.155 0.000 -4.221) 5.270 6.731 ( -12.340 -0.000 20.084) 23.572 9.262 ( -21.715 -0.000 13.829) 25.745 9.280 ( 0.119 0.000 -7.615) 7.616 11.843 ( 4.610 0.000 -7.001) 8.383 12.382 ( 1.005 0.000 4.933) 5.034 12.663 ( -6.112 -0.000 8.673) 10.610 17.014 ( -3.069 -0.000 0.748) 3.158 17.071 ( 7.640 0.000 17.869) 19.433 18.058 ( -4.251 -0.000 7.876) 8.950 18.357 ( -6.366 -0.000 -7.400) 9.761 ======================= Grid point 156 (69/250) ======================= q-point: (-0.11 -0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -15.506 2.771 0.671) 15.766 0.956 ( -22.673 -6.039 13.717) 27.178 1.255 ( -21.524 -4.148 -18.105) 28.430 1.754 ( -3.624 0.292 4.723) 5.960 2.185 ( 4.360 6.846 -4.342) 9.205 2.348 ( 2.490 -5.870 -2.844) 6.982 2.411 ( 0.174 4.886 2.642) 5.557 2.583 ( 4.055 -6.052 2.398) 7.670 3.215 ( -0.615 1.424 -0.317) 1.583 3.654 ( 8.958 1.213 -9.040) 12.785 4.310 ( 2.882 -0.269 -1.937) 3.483 5.034 ( -5.347 1.177 3.935) 6.742 5.230 ( -3.665 -1.957 3.330) 5.324 6.352 ( 2.672 -0.327 -4.166) 4.960 6.736 ( -12.751 1.196 19.941) 23.699 9.158 ( -23.660 0.376 35.591) 42.739 9.254 ( 2.814 -4.442 -2.579) 5.856 11.864 ( 6.452 -1.304 -6.735) 9.417 12.439 ( -0.158 -0.766 4.826) 4.889 12.642 ( -7.643 0.220 8.138) 11.166 16.969 ( -2.960 2.897 2.450) 4.812 17.217 ( 0.497 19.068 17.324) 25.767 17.958 ( -6.720 8.073 3.061) 10.941 18.431 ( 2.839 -19.950 3.811) 20.509 ======================= Grid point 165 (70/250) ======================= q-point: (-0.11 -0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -13.014 -0.000 6.882) 14.722 0.699 ( -24.539 -0.000 -10.702) 26.771 0.768 ( -26.323 -0.000 18.614) 32.239 1.726 ( -6.586 -0.000 5.523) 8.595 2.261 ( -0.997 -0.000 -1.803) 2.060 2.297 ( 8.898 0.000 -10.015) 13.397 2.479 ( 1.613 0.000 0.808) 1.804 2.595 ( 0.763 0.000 3.684) 3.762 3.219 ( -0.633 -0.000 0.395) 0.747 3.596 ( 3.001 0.000 -26.264) 26.435 4.345 ( 5.474 0.000 -4.495) 7.083 4.994 ( -5.864 -0.000 3.497) 6.827 5.201 ( -2.916 -0.000 3.143) 4.287 6.346 ( 2.505 0.000 -4.482) 5.135 6.742 ( -12.707 -0.000 16.686) 20.973 9.191 ( 3.113 0.000 -6.711) 7.398 9.662 ( -4.287 -0.000 138.569) 138.635 11.885 ( 7.394 0.000 -7.641) 10.633 12.465 ( -0.672 -0.000 2.637) 2.721 12.599 ( -8.731 -0.000 7.345) 11.410 16.962 ( -2.007 -0.000 1.643) 2.594 17.648 ( 9.936 0.000 12.707) 16.131 18.135 ( -1.831 -0.000 -3.602) 4.041 18.200 ( -2.563 -0.000 28.269) 28.385 ======================= Grid point 166 (71/250) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -4.066 -0.000 18.171) 18.620 0.932 ( 5.916 0.000 21.569) 22.365 1.603 ( -9.385 -0.000 31.310) 32.686 1.796 ( -7.464 -0.000 5.582) 9.321 2.035 ( 2.043 0.000 -7.879) 8.140 2.063 ( 8.483 0.000 -8.358) 11.909 2.570 ( 2.705 0.000 2.782) 3.881 2.717 ( -2.306 -0.000 2.046) 3.083 3.101 ( 4.446 0.000 -4.363) 6.229 3.219 ( -2.922 -0.000 0.105) 2.924 4.117 ( 2.576 0.000 -9.206) 9.560 4.997 ( -2.926 -0.000 3.770) 4.772 5.260 ( -3.671 -0.000 4.896) 6.119 6.190 ( 5.541 0.000 -8.753) 10.359 6.980 ( -14.300 -0.000 19.047) 23.818 9.067 ( 8.376 0.000 -8.732) 12.100 11.745 ( 7.094 0.000 -9.795) 12.094 12.060 ( -9.846 -0.000 -14.986) 17.931 12.603 ( -6.995 -0.000 6.736) 9.711 14.437 ( 17.673 0.000 -4.043) 18.129 16.492 ( -72.085 -0.000 10.209) 72.805 17.029 ( -2.519 -0.000 4.059) 4.777 17.766 ( -1.148 -0.000 -2.934) 3.151 18.164 ( 5.655 0.000 0.975) 5.739 ======================= Grid point 167 (72/250) ======================= q-point: ( 0.11 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.267 -0.714 18.889) 18.904 1.201 ( 3.617 -2.446 18.145) 18.663 1.712 ( -5.824 0.045 8.825) 10.573 1.752 ( -4.454 -2.157 4.428) 6.641 1.986 ( 4.933 4.405 -2.636) 7.119 2.182 ( 6.062 -4.809 0.068) 7.738 2.628 ( 0.824 1.837 4.244) 4.697 2.726 ( -0.291 -1.982 4.061) 4.528 3.125 ( 3.943 0.405 -3.570) 5.334 3.173 ( -2.490 -1.559 -4.098) 5.042 4.081 ( 4.054 -0.343 -8.621) 9.532 5.009 ( -0.940 -0.258 3.944) 4.063 5.264 ( -3.155 -1.153 4.952) 5.984 6.193 ( 6.045 0.051 -8.129) 10.130 6.967 ( -13.542 -0.782 19.533) 23.781 9.108 ( 8.241 -0.226 -8.215) 11.639 11.650 ( -20.941 6.640 -9.280) 23.848 11.777 ( 1.663 -2.397 -10.175) 10.585 12.587 ( -5.406 -0.345 8.441) 10.030 13.836 ( -54.427 29.570 21.701) 65.632 16.204 ( 1.787 -0.435 10.128) 10.293 17.040 ( -2.160 -1.672 2.897) 3.981 17.737 ( -0.021 -1.460 -3.263) 3.575 18.333 ( 5.251 -10.009 -1.242) 11.371 ======================= Grid point 168 (73/250) ======================= q-point: ( 0.22 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 1.992 -1.528 15.195) 15.401 1.417 ( 0.630 -2.679 15.475) 15.718 1.638 ( -4.143 1.090 -2.111) 4.776 1.770 ( -2.290 -2.603 -0.662) 3.529 2.011 ( 3.951 2.584 2.478) 5.332 2.299 ( 3.474 -3.036 -2.208) 5.115 2.643 ( -0.351 3.612 7.922) 8.714 2.806 ( -0.232 -1.398 5.210) 5.400 3.091 ( -2.623 -1.146 -5.502) 6.202 3.161 ( 3.843 -1.758 -4.413) 6.110 4.088 ( 6.350 -0.562 -6.787) 9.311 5.042 ( -0.611 -0.261 4.525) 4.574 5.293 ( -2.249 -2.164 4.919) 5.826 6.208 ( 6.506 0.091 -7.624) 10.023 6.980 ( -13.417 -2.008 20.364) 24.469 9.145 ( 7.483 0.215 -7.714) 10.750 11.069 ( -39.863 8.956 4.891) 41.149 11.780 ( 5.367 -0.669 -7.806) 9.497 12.615 ( -3.755 -0.908 9.548) 10.300 13.138 ( -32.901 18.322 24.558) 44.958 16.353 ( 6.197 0.532 5.520) 8.316 17.054 ( -2.151 -1.721 1.580) 3.176 17.750 ( 2.131 -2.786 -2.685) 4.417 18.490 ( 4.776 -6.690 -2.722) 8.659 ======================= Grid point 169 (74/250) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.247 1.254 4.948) 5.110 1.515 ( -3.365 0.825 5.827) 6.779 1.636 ( 0.645 -2.717 9.641) 10.037 1.750 ( -1.362 -2.916 -4.592) 5.608 2.045 ( -0.272 2.978 5.108) 5.919 2.301 ( -0.668 -1.812 -6.510) 6.790 2.672 ( -0.582 3.743 7.896) 8.757 2.776 ( -4.152 2.943 -2.512) 5.676 3.053 ( 0.710 -3.371 -5.671) 6.635 3.236 ( 5.242 -2.803 1.104) 6.046 4.141 ( 7.570 -0.206 -4.651) 8.887 5.077 ( -1.533 -0.422 5.202) 5.439 5.339 ( -1.816 -2.158 5.019) 5.757 6.230 ( 6.666 0.165 -7.549) 10.072 7.012 ( -13.958 -2.992 21.295) 25.637 9.171 ( 7.030 0.603 -7.245) 10.113 10.496 ( -39.922 7.309 15.437) 43.422 11.791 ( 5.018 0.547 -5.860) 7.735 12.670 ( -3.299 -0.914 9.738) 10.322 12.835 ( -15.540 9.019 15.730) 23.880 16.455 ( 0.256 -2.140 5.801) 6.189 17.048 ( -2.576 -0.964 1.037) 2.940 17.810 ( 3.587 -3.154 -1.674) 5.061 18.584 ( 4.985 -2.151 -2.864) 6.139 ======================= Grid point 170 (75/250) ======================= q-point: (-0.56 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -5.425 6.847 -2.748) 9.158 1.534 ( -1.442 -0.035 5.409) 5.598 1.713 ( -2.232 -2.235 -6.854) 7.547 1.773 ( -1.168 -2.288 10.432) 10.744 2.012 ( -5.813 3.187 6.315) 9.155 2.244 ( -2.108 -1.844 -4.209) 5.056 2.609 ( -1.789 5.150 -3.317) 6.381 2.704 ( -1.014 3.184 4.106) 5.294 3.059 ( 0.475 -4.477 -6.094) 7.577 3.371 ( 7.201 -2.160 0.755) 7.556 4.205 ( 6.687 0.619 -3.214) 7.445 5.101 ( -3.053 -0.619 5.421) 6.252 5.380 ( -2.297 -1.217 5.303) 5.906 6.247 ( 6.313 0.368 -7.910) 10.127 7.049 ( -15.029 -3.376 21.895) 26.770 9.197 ( 7.895 0.891 -8.113) 11.356 10.083 ( -34.973 3.935 24.910) 43.118 11.799 ( 5.227 1.866 -4.575) 7.192 12.674 ( -7.355 4.387 10.305) 13.399 12.754 ( -4.731 -0.645 8.080) 9.386 16.537 ( -5.221 -7.570 7.451) 11.836 17.034 ( -2.155 -0.532 1.406) 2.627 17.879 ( 2.685 -2.223 -1.008) 3.629 18.644 ( 6.666 1.246 -2.044) 7.083 ======================= Grid point 171 (76/250) ======================= q-point: (-0.44 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -8.600 7.925 0.384) 11.701 1.438 ( -11.981 3.806 -7.508) 14.642 1.644 ( -2.445 -0.553 -1.547) 2.946 1.813 ( -7.184 4.058 14.046) 16.290 1.972 ( -2.833 -1.862 2.844) 4.425 2.263 ( 1.586 -3.384 1.665) 4.091 2.517 ( 0.871 4.871 -2.325) 5.467 2.692 ( 0.583 2.654 2.093) 3.430 3.063 ( -0.010 -4.653 -5.745) 7.392 3.474 ( 6.403 -0.401 -3.497) 7.306 4.244 ( 4.651 1.322 -3.103) 5.745 5.104 ( -4.594 -0.800 5.133) 6.935 5.395 ( -3.558 0.377 5.351) 6.436 6.250 ( 5.624 0.568 -8.444) 10.161 7.074 ( -16.135 -3.336 21.742) 27.280 9.196 ( 7.421 2.653 -12.460) 14.743 9.943 ( -25.626 -2.516 43.828) 50.832 11.806 ( 5.978 3.028 -4.356) 7.993 12.611 ( -5.487 3.189 6.218) 8.885 12.773 ( -5.031 -1.440 6.451) 8.307 16.646 ( -9.864 -14.530 9.916) 20.168 17.030 ( -1.682 -0.560 2.134) 2.775 17.911 ( 0.676 -0.600 -0.968) 1.324 18.711 ( 9.192 3.572 -0.886) 9.901 ======================= Grid point 172 (77/250) ======================= q-point: (-0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -8.329 5.253 9.002) 13.342 1.064 ( -18.367 6.308 -8.887) 21.357 1.558 ( -12.447 6.627 14.330) 20.105 1.812 ( -1.601 0.247 5.884) 6.103 2.005 ( -0.618 -2.579 1.012) 2.839 2.327 ( 3.284 1.021 -3.399) 4.835 2.477 ( -1.021 0.834 4.166) 4.370 2.691 ( 3.747 2.787 -2.250) 5.184 3.073 ( -0.327 -4.862 -4.273) 6.481 3.480 ( 2.944 2.381 -7.159) 8.098 4.245 ( 2.957 1.438 -4.398) 5.491 5.089 ( -5.693 -1.047 4.792) 7.514 5.368 ( -4.829 2.035 5.037) 7.269 6.237 ( 5.032 0.546 -8.915) 10.252 7.077 ( -16.700 -2.819 20.529) 26.613 9.118 ( 4.742 3.572 -12.048) 13.431 10.315 ( -6.393 -14.651 66.323) 68.222 11.814 ( 7.217 3.778 -4.370) 9.244 12.554 ( -4.364 1.565 2.728) 5.379 12.761 ( -6.597 -0.929 5.381) 8.564 16.809 ( -14.432 -22.834 12.433) 29.736 17.035 ( -2.478 -1.054 2.813) 3.895 17.899 ( -0.666 0.529 -1.184) 1.458 18.786 ( 10.668 5.774 -1.454) 12.217 ======================= Grid point 173 (78/250) ======================= q-point: (-0.22 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -4.312 4.102 15.441) 16.549 0.692 ( -17.076 5.930 3.595) 18.430 1.454 ( -16.582 6.123 26.856) 32.151 1.843 ( -0.700 -0.384 3.063) 3.165 2.016 ( -0.081 -1.684 -3.137) 3.562 2.265 ( 2.202 4.686 -7.741) 9.313 2.524 ( 0.163 0.041 3.974) 3.977 2.685 ( 3.364 2.138 -1.934) 4.430 3.093 ( -0.674 -5.035 -3.856) 6.377 3.378 ( -1.091 5.096 -5.687) 7.714 4.215 ( 2.281 0.943 -6.537) 6.987 5.060 ( -6.136 -0.783 4.462) 7.628 5.314 ( -4.872 2.311 4.826) 7.237 6.216 ( 4.850 0.313 -9.192) 10.398 7.054 ( -16.457 -1.497 19.164) 25.305 9.053 ( 5.975 2.300 -10.013) 11.885 11.335 ( 18.585 -30.307 55.221) 65.676 11.890 ( 14.813 0.293 8.814) 17.239 12.521 ( -2.437 -1.798 6.476) 7.149 12.715 ( -7.668 -0.351 4.900) 9.107 17.016 ( -7.962 -11.858 9.236) 17.009 17.049 ( -17.685 -24.190 6.510) 30.664 17.864 ( -1.487 0.563 -1.451) 2.153 18.789 ( 7.361 10.482 -9.051) 15.684 ======================= Grid point 174 (79/250) ======================= q-point: (-0.11 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -8.667 2.117 14.582) 17.094 0.683 ( 1.770 3.550 22.668) 23.012 1.467 ( -14.864 1.844 34.802) 37.888 1.842 ( -5.436 1.454 7.080) 9.044 2.006 ( 3.932 -3.898 -10.563) 11.926 2.155 ( 2.512 5.705 -8.925) 10.887 2.534 ( 1.914 1.893 0.385) 2.719 2.711 ( -0.081 -0.232 3.184) 3.194 3.096 ( 0.374 -2.789 -5.208) 5.920 3.269 ( -2.005 3.678 -0.067) 4.190 4.169 ( 2.165 0.376 -8.412) 8.694 5.021 ( -5.278 0.042 3.955) 6.595 5.275 ( -4.055 1.063 4.868) 6.424 6.199 ( 5.095 0.070 -9.153) 10.476 7.014 ( -15.468 -0.225 18.827) 24.368 9.042 ( 7.626 0.941 -9.262) 12.034 11.725 ( 7.016 -1.910 -8.434) 11.136 12.241 ( 0.381 -2.330 -10.542) 10.803 12.653 ( -7.866 -0.006 5.391) 9.536 13.409 ( 54.139 -34.661 39.848) 75.632 17.023 ( -4.700 -1.313 4.113) 6.382 17.185 ( -46.264 -44.279 1.657) 64.060 17.819 ( -2.645 -0.186 -1.924) 3.276 18.435 ( -5.048 28.984 -16.292) 33.630 ======================= Grid point 176 (80/250) ======================= q-point: ( 0.11 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 2.605 0.000 16.871) 17.071 1.382 ( 1.450 0.000 16.752) 16.815 1.661 ( -2.366 -0.000 -2.233) 3.254 1.718 ( -3.974 -0.000 0.334) 3.988 2.068 ( 4.014 0.000 0.510) 4.047 2.240 ( 4.573 0.000 -0.687) 4.624 2.714 ( 0.897 0.000 5.831) 5.899 2.762 ( -0.047 -0.000 9.472) 9.472 3.076 ( -3.696 -0.000 -4.903) 6.140 3.136 ( 3.581 0.000 -6.039) 7.021 4.081 ( 6.823 0.000 -7.079) 9.832 5.041 ( 0.437 0.000 3.720) 3.746 5.262 ( -2.585 -0.000 5.162) 5.773 6.209 ( 6.332 0.000 -7.453) 9.779 6.954 ( -13.393 -0.000 19.633) 23.766 9.151 ( 8.739 0.000 -8.389) 12.113 11.181 ( -39.996 -0.000 0.271) 39.997 11.770 ( 6.301 0.000 -7.332) 9.667 12.603 ( -3.956 -0.000 9.648) 10.428 13.411 ( -49.015 -0.000 22.615) 53.981 16.376 ( 10.240 0.000 0.736) 10.266 17.025 ( -1.689 -0.000 2.162) 2.743 17.714 ( 2.511 0.000 -2.920) 3.851 18.385 ( 7.763 0.000 1.917) 7.996 ======================= Grid point 177 (81/250) ======================= q-point: ( 0.22 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 3.789 1.380 11.378) 12.071 1.534 ( -0.322 0.254 12.594) 12.600 1.616 ( -1.988 0.903 2.470) 3.296 1.666 ( -2.233 -3.147 -4.911) 6.246 2.120 ( 2.929 2.443 2.978) 4.839 2.252 ( -0.390 -1.750 -5.318) 5.612 2.751 ( -1.059 2.223 6.548) 6.995 2.828 ( -2.496 0.944 3.159) 4.135 2.986 ( -2.277 -1.586 -6.189) 6.782 3.167 ( 5.113 -2.061 -0.291) 5.521 4.139 ( 8.883 0.001 -4.864) 10.127 5.079 ( -0.030 0.319 3.835) 3.848 5.290 ( -1.439 -1.339 5.245) 5.602 6.231 ( 6.344 -0.011 -7.184) 9.584 6.956 ( -13.488 -1.298 20.042) 24.193 9.192 ( 8.791 0.644 -8.608) 12.320 10.624 ( -43.445 2.752 12.135) 45.192 11.798 ( 5.758 0.096 -5.002) 7.628 12.648 ( -3.057 -0.500 9.677) 10.161 13.029 ( -26.914 4.943 16.412) 31.909 16.451 ( 1.717 0.796 -0.317) 1.919 17.027 ( -1.264 -0.621 1.499) 2.057 17.755 ( 5.326 -1.161 -2.161) 5.864 18.526 ( 8.105 -1.778 0.786) 8.335 ======================= Grid point 178 (82/250) ======================= q-point: ( 0.33 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.237 6.819 1.068) 7.012 1.564 ( -1.072 0.794 6.063) 6.208 1.624 ( -3.523 -3.251 -2.774) 5.539 1.717 ( 1.742 -1.919 8.838) 9.210 2.107 ( -3.992 3.608 2.723) 6.031 2.208 ( -1.561 -0.883 -2.951) 3.453 2.720 ( -3.634 3.697 -0.925) 5.265 2.766 ( -2.655 1.717 2.720) 4.171 2.948 ( -0.898 -4.109 -6.003) 7.330 3.306 ( 7.189 -2.594 2.817) 8.145 4.222 ( 8.361 0.672 -3.282) 9.007 5.100 ( -1.602 0.380 4.165) 4.478 5.343 ( -0.773 -1.481 5.315) 5.572 6.251 ( 6.029 -0.005 -7.535) 9.650 6.975 ( -13.894 -2.374 20.476) 24.859 9.224 ( 9.091 1.101 -8.951) 12.806 10.165 ( -38.898 2.427 21.071) 44.304 11.834 ( 5.629 0.931 -3.105) 6.495 12.698 ( -3.373 -0.749 8.551) 9.223 12.817 ( -14.047 3.679 9.871) 17.558 16.430 ( -5.383 -1.683 1.820) 5.926 17.029 ( -1.099 0.015 1.712) 2.035 17.834 ( 5.657 -1.281 -1.527) 5.998 18.656 ( 8.583 -0.072 -0.258) 8.587 ======================= Grid point 179 (83/250) ======================= q-point: (-0.56 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -3.071 10.809 -2.064) 11.425 1.528 ( -6.074 2.143 -8.474) 10.644 1.621 ( 0.544 -0.073 5.720) 5.746 1.829 ( 0.100 -1.871 7.167) 7.408 2.019 ( -8.342 3.916 7.971) 12.184 2.186 ( -1.134 -1.963 1.631) 2.793 2.627 ( -0.679 3.573 -2.228) 4.264 2.734 ( -2.717 0.787 1.927) 3.423 2.944 ( -0.208 -4.765 -5.351) 7.168 3.446 ( 6.651 -1.520 -0.036) 6.823 4.281 ( 5.846 1.518 -3.087) 6.783 5.100 ( -3.380 0.257 4.261) 5.445 5.392 ( -1.229 -0.363 5.442) 5.590 6.258 ( 5.431 0.108 -8.327) 9.942 6.998 ( -14.516 -2.694 20.663) 25.396 9.249 ( 9.478 1.605 -11.392) 14.906 9.901 ( -31.603 -0.941 33.748) 46.245 11.871 ( 5.992 2.121 -2.564) 6.854 12.685 ( -7.621 2.499 5.665) 9.819 12.739 ( -4.914 -1.086 6.140) 7.939 16.398 ( -10.026 -5.932 5.111) 12.721 17.031 ( -0.907 0.472 2.594) 2.788 17.901 ( 3.937 -0.348 -1.326) 4.169 18.769 ( 9.655 1.464 -0.673) 9.788 ======================= Grid point 180 (84/250) ======================= q-point: (-0.44 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -3.758 10.942 3.339) 12.042 1.245 ( -11.186 8.271 -9.673) 16.944 1.660 ( -0.483 2.406 4.967) 5.540 1.905 ( -7.719 5.827 13.356) 16.490 1.923 ( -2.122 -3.478 2.478) 4.769 2.275 ( 1.668 -4.026 5.624) 7.115 2.548 ( -2.579 3.441 -1.342) 4.505 2.721 ( 1.661 -0.432 -2.744) 3.236 2.960 ( 0.282 -4.194 -3.296) 5.341 3.513 ( 3.899 0.581 -3.182) 5.066 4.288 ( 3.153 1.943 -4.258) 5.643 5.079 ( -4.691 0.127 4.289) 6.357 5.409 ( -2.602 1.409 5.213) 5.994 6.247 ( 4.831 0.230 -9.104) 10.309 7.012 ( -14.939 -2.308 20.599) 25.550 9.212 ( 5.719 3.669 -12.298) 14.051 9.998 ( -18.202 -10.483 50.040) 54.270 11.900 ( 6.539 3.066 -3.321) 7.949 12.598 ( -5.511 1.766 1.290) 5.929 12.734 ( -5.916 -1.183 5.280) 8.018 16.398 ( -13.956 -10.638 8.832) 19.645 17.039 ( -1.049 0.744 3.648) 3.868 17.924 ( 1.954 1.070 -1.473) 2.670 18.875 ( 10.041 2.175 -1.784) 10.428 ======================= Grid point 181 (85/250) ======================= q-point: (-0.33 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 0.213 8.420 12.735) 15.269 0.898 ( -10.850 11.275 -3.192) 15.970 1.622 ( -8.529 6.555 13.430) 17.207 1.850 ( -2.145 1.394 4.620) 5.281 1.980 ( -2.624 -1.497 4.869) 5.731 2.357 ( 1.550 1.812 -1.656) 2.902 2.488 ( -2.891 -1.755 4.609) 5.716 2.726 ( 4.453 0.082 -6.834) 8.157 2.993 ( 0.769 -3.114 -1.291) 3.458 3.480 ( 0.097 3.231 -4.407) 5.465 4.249 ( 1.643 1.721 -6.141) 6.585 5.050 ( -5.000 0.001 4.498) 6.725 5.381 ( -4.008 2.903 4.788) 6.886 6.224 ( 4.601 0.203 -9.498) 10.556 7.015 ( -14.858 -1.422 20.354) 25.240 9.132 ( 4.838 3.883 -9.410) 11.270 10.578 ( -5.168 -26.780 61.063) 66.877 11.927 ( 7.248 2.245 -2.994) 8.157 12.512 ( -4.515 0.552 -0.884) 4.634 12.701 ( -7.081 -0.729 5.036) 8.719 16.423 ( -19.475 -14.756 12.272) 27.343 17.048 ( -1.412 1.153 4.649) 4.994 17.906 ( 0.597 2.140 -1.768) 2.840 18.939 ( 7.790 3.359 -5.883) 10.323 ======================= Grid point 182 (86/250) ======================= q-point: (-0.22 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -8.390 9.196 8.910) 15.308 0.820 ( 6.406 6.967 17.902) 20.250 1.562 ( -11.467 5.651 23.358) 26.628 1.872 ( 2.591 -0.169 -0.335) 2.618 1.960 ( -5.858 0.646 2.301) 6.326 2.279 ( 0.628 3.963 -5.824) 7.073 2.552 ( -0.117 -1.831 3.689) 4.120 2.719 ( 3.403 0.868 -4.432) 5.655 3.032 ( 1.998 -1.854 -0.909) 2.873 3.377 ( -2.177 4.457 -3.225) 5.917 4.187 ( 1.494 1.124 -7.846) 8.066 5.025 ( -4.395 0.240 4.497) 6.292 5.326 ( -4.260 2.994 4.726) 7.032 6.201 ( 4.907 0.047 -9.392) 10.596 7.007 ( -14.404 -0.260 20.026) 24.670 9.088 ( 6.277 2.767 -8.288) 10.758 11.440 ( 1.731 -29.246 27.229) 39.997 12.054 ( 4.044 -9.316 2.474) 10.453 12.554 ( 0.795 -14.607 21.403) 25.925 12.652 ( -7.396 -0.131 5.558) 9.252 16.414 ( -28.199 -15.834 14.882) 35.600 17.056 ( -1.633 1.381 5.168) 5.593 17.860 ( -0.312 2.586 -2.234) 3.431 18.855 ( 1.818 8.712 -13.242) 15.955 ======================= Grid point 183 (87/250) ======================= q-point: (-0.11 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -4.383 4.184 17.346) 18.374 1.010 ( 6.515 5.354 18.779) 20.585 1.619 ( -7.771 1.738 27.119) 28.264 1.853 ( -7.708 3.044 3.029) 8.823 1.916 ( 4.865 -2.968 -6.924) 8.967 2.202 ( 3.228 4.616 -4.835) 7.423 2.583 ( 0.636 0.131 1.762) 1.878 2.722 ( 0.419 0.664 0.709) 1.058 3.081 ( 4.070 -0.884 -1.565) 4.449 3.268 ( -2.504 3.217 -2.791) 4.941 4.125 ( 2.284 0.653 -8.785) 9.100 5.006 ( -3.022 0.633 4.182) 5.198 5.285 ( -3.582 1.976 4.871) 6.361 6.190 ( 5.514 -0.070 -8.871) 10.445 6.989 ( -13.900 0.655 19.719) 24.135 9.083 ( 7.405 1.376 -8.159) 11.104 11.695 ( 2.835 -6.381 -6.373) 9.453 12.016 ( -9.736 -3.538 -13.085) 16.689 12.607 ( -6.751 0.340 6.847) 9.622 13.447 ( -7.481 -57.902 36.271) 68.732 16.276 ( -30.440 -6.693 16.291) 35.168 17.059 ( -1.991 1.514 4.283) 4.960 17.797 ( -0.719 2.393 -2.881) 3.814 18.551 ( -0.792 17.604 -12.323) 21.503 ======================= Grid point 186 (88/250) ======================= q-point: ( 0.22 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 5.349 0.000 6.063) 8.085 1.504 ( -6.176 -0.000 -6.755) 9.152 1.659 ( -1.888 -0.000 14.393) 14.516 1.666 ( 2.817 0.000 3.195) 4.260 2.157 ( -4.315 -0.000 -4.859) 6.498 2.199 ( 1.421 0.000 2.749) 3.094 2.777 ( -3.987 -0.000 4.619) 6.102 2.785 ( -4.736 -0.000 -2.856) 5.531 2.886 ( -1.685 -0.000 -5.477) 5.730 3.269 ( 7.781 0.000 3.944) 8.723 4.231 ( 8.990 0.000 -3.249) 9.560 5.107 ( -1.145 -0.000 3.370) 3.559 5.322 ( 0.061 0.000 5.529) 5.529 6.250 ( 5.879 0.000 -7.345) 9.408 6.944 ( -13.385 -0.000 19.981) 24.050 9.240 ( 9.424 0.000 -9.710) 13.531 10.195 ( -40.432 -0.000 19.840) 45.038 11.846 ( 5.844 0.000 -2.610) 6.400 12.687 ( -3.136 -0.000 8.484) 9.045 12.867 ( -17.037 -0.000 9.831) 19.671 16.417 ( -5.366 -0.000 -0.924) 5.445 17.030 ( -0.470 -0.000 2.010) 2.064 17.818 ( 6.850 0.000 -1.920) 7.115 18.653 ( 9.548 0.000 0.875) 9.588 ======================= Grid point 187 (89/250) ======================= q-point: ( 0.33 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -1.922 9.279 -2.185) 9.724 1.441 ( -1.181 -7.206 -3.523) 8.108 1.705 ( 0.497 4.663 9.141) 10.273 1.791 ( 1.283 -1.920 7.462) 7.811 2.051 ( -6.566 -0.274 1.030) 6.652 2.202 ( -1.992 1.740 0.720) 2.741 2.682 ( -3.376 0.820 -3.253) 4.759 2.739 ( -6.167 -0.102 2.660) 6.717 2.853 ( -0.081 -2.057 -2.430) 3.185 3.415 ( 7.616 -0.752 2.048) 7.922 4.310 ( 6.514 0.691 -3.070) 7.234 5.108 ( -3.014 0.230 3.521) 4.640 5.384 ( 0.921 -0.209 5.509) 5.590 6.258 ( 5.281 -0.045 -8.147) 9.709 6.949 ( -13.213 -1.079 20.090) 24.070 9.276 ( 9.784 0.561 -10.799) 14.583 9.889 ( -34.326 -0.169 28.311) 44.495 11.907 ( 6.089 0.731 -1.531) 6.321 12.709 ( -4.219 -0.235 6.503) 7.755 12.740 ( -9.975 0.785 4.691) 11.051 16.319 ( -9.429 -1.217 1.816) 9.679 17.045 ( -0.381 0.423 3.010) 3.063 17.894 ( 5.971 -0.152 -1.958) 6.286 18.791 ( 9.974 0.426 -0.148) 9.985 ======================= Grid point 188 (90/250) ======================= q-point: (-0.56 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -6.748 8.176 0.627) 10.619 1.425 ( 0.118 4.368 -7.490) 8.671 1.737 ( 0.717 4.398 8.616) 9.700 1.841 ( -0.777 -1.473 1.920) 2.542 2.030 ( -7.424 1.610 9.627) 12.263 2.175 ( -0.722 -2.664 4.078) 4.924 2.610 ( -3.815 1.304 -1.570) 4.326 2.678 ( -3.656 -2.417 -1.803) 4.739 2.880 ( 0.969 -2.070 0.873) 2.447 3.520 ( 5.500 0.082 -0.764) 5.553 4.332 ( 3.381 1.434 -4.369) 5.708 5.086 ( -4.441 0.259 3.954) 5.952 5.439 ( 0.052 0.938 5.236) 5.320 6.249 ( 4.756 -0.043 -9.193) 10.351 6.967 ( -13.067 -1.334 20.331) 24.205 9.286 ( 8.178 2.215 -11.864) 14.579 9.805 ( -25.231 -5.136 39.772) 47.379 11.961 ( 6.230 1.793 -2.499) 6.948 12.634 ( -6.494 1.096 0.444) 6.601 12.707 ( -5.327 -0.873 4.973) 7.340 16.236 ( -11.244 -3.410 5.879) 13.139 17.063 ( -0.552 0.988 4.243) 4.392 17.944 ( 4.086 0.525 -2.127) 4.636 18.912 ( 9.533 0.966 -1.528) 9.703 ======================= Grid point 189 (91/250) ======================= q-point: (-0.44 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -4.442 6.655 9.354) 12.309 1.224 ( -0.449 13.771 -6.905) 15.411 1.759 ( -0.086 4.750 6.397) 7.968 1.875 ( -3.802 -1.265 4.714) 6.187 1.968 ( -5.176 1.796 7.492) 9.281 2.305 ( 0.933 -5.129 8.291) 9.794 2.496 ( -7.359 1.641 -0.930) 7.597 2.677 ( 2.420 -3.606 -6.065) 7.459 2.938 ( 1.599 -1.367 2.936) 3.612 3.543 ( 1.971 1.940 -2.892) 4.002 4.294 ( 1.320 1.746 -6.301) 6.670 5.055 ( -4.799 0.304 4.555) 6.623 5.450 ( -1.953 2.556 4.739) 5.727 6.225 ( 4.547 -0.034 -9.885) 10.881 6.987 ( -12.969 -0.841 20.729) 24.467 9.235 ( 5.021 4.301 -8.990) 11.159 10.062 ( -15.127 -15.456 49.093) 53.645 11.986 ( 5.912 2.295 -4.860) 7.990 12.531 ( -4.949 0.792 -3.003) 5.842 12.681 ( -6.329 -0.823 5.063) 8.147 16.199 ( -12.081 -4.983 10.048) 16.485 17.082 ( -0.868 1.429 5.223) 5.484 17.955 ( 2.319 1.641 -2.313) 3.663 18.994 ( 7.371 1.418 -4.065) 8.536 ======================= Grid point 190 (92/250) ======================= q-point: (-0.33 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -4.106 8.068 12.101) 15.113 1.046 ( 7.156 12.252 2.618) 14.428 1.722 ( -5.481 6.674 10.722) 13.768 1.865 ( -1.872 0.379 3.799) 4.252 1.976 ( -3.505 -0.355 4.654) 5.837 2.355 ( -4.501 2.265 -2.368) 5.568 2.454 ( -1.683 -5.549 6.964) 9.063 2.708 ( 4.749 -2.088 -6.008) 7.938 3.006 ( 2.507 -0.418 3.106) 4.013 3.477 ( -1.458 3.577 -4.256) 5.748 4.222 ( 0.928 1.564 -7.749) 7.960 5.033 ( -4.081 0.400 5.094) 6.539 5.413 ( -3.615 3.683 4.485) 6.837 6.200 ( 4.849 -0.109 -9.888) 11.013 7.004 ( -12.959 0.020 21.077) 24.742 9.176 ( 5.032 4.333 -7.210) 9.802 10.625 ( -12.256 -28.439 52.050) 60.565 11.986 ( 4.473 0.722 -6.511) 7.933 12.436 ( -3.873 -0.847 -1.900) 4.396 12.648 ( -6.541 -0.207 6.207) 9.020 16.197 ( -12.429 -4.372 13.409) 18.799 17.097 ( -1.318 1.752 5.531) 5.949 17.928 ( 1.008 2.725 -2.481) 3.821 18.987 ( 3.128 3.154 -8.310) 9.423 ======================= Grid point 191 (93/250) ======================= q-point: (-0.22 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -2.452 10.944 11.183) 15.838 1.158 ( 8.539 6.217 13.028) 16.772 1.691 ( -4.348 3.545 13.492) 14.612 1.853 ( -3.919 0.503 -0.200) 3.956 1.953 ( -2.027 1.962 3.378) 4.401 2.268 ( -1.122 1.080 -1.758) 2.349 2.538 ( -2.017 -3.633 4.076) 5.821 2.745 ( 4.437 0.478 -2.337) 5.037 3.073 ( 3.562 0.243 1.912) 4.050 3.354 ( -2.918 3.436 -5.667) 7.241 4.149 ( 1.802 1.233 -8.189) 8.475 5.024 ( -2.991 0.772 5.156) 6.011 5.355 ( -3.816 3.529 4.681) 6.995 6.186 ( 5.550 -0.223 -9.289) 10.823 7.010 ( -13.048 0.999 21.115) 24.841 9.138 ( 5.525 3.192 -6.976) 9.454 11.211 ( -17.688 -30.723 29.767) 46.291 11.950 ( -0.679 -0.709 -9.957) 10.005 12.523 ( -3.695 -14.662 17.741) 23.310 12.624 ( -5.740 0.196 8.542) 10.293 16.200 ( -10.214 -0.891 14.927) 18.109 17.101 ( -1.786 1.852 4.805) 5.451 17.873 ( 0.133 3.510 -2.715) 4.440 18.844 ( -0.809 7.215 -11.752) 13.814 ======================= Grid point 192 (94/250) ======================= q-point: (-0.11 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.346 6.506 15.797) 17.088 1.300 ( 3.640 5.229 14.726) 16.045 1.735 ( -4.283 -2.051 -6.295) 7.886 1.766 ( -3.474 2.557 13.985) 14.635 1.947 ( 1.840 1.252 -0.044) 2.226 2.272 ( 3.916 1.832 0.978) 4.432 2.573 ( -2.314 -2.595 3.549) 4.968 2.777 ( 2.214 1.896 2.502) 3.842 3.127 ( 2.925 0.559 0.077) 2.979 3.223 ( -1.738 2.091 -7.638) 8.107 4.098 ( 3.603 0.981 -7.893) 8.732 5.024 ( -1.903 0.988 4.899) 5.347 5.313 ( -2.948 2.641 4.865) 6.271 6.190 ( 6.226 -0.224 -8.418) 10.473 7.002 ( -13.227 1.816 20.812) 24.726 9.125 ( 6.190 1.420 -7.233) 9.625 11.347 ( -28.395 -18.605 6.163) 34.502 11.829 ( 1.338 1.804 -10.990) 11.217 12.603 ( -4.954 0.788 8.546) 9.910 12.952 ( -20.423 -30.624 31.826) 48.660 16.232 ( -1.232 1.833 12.539) 12.732 17.087 ( -2.150 1.856 3.076) 4.187 17.803 ( 0.206 3.655 -2.923) 4.684 18.619 ( 0.171 10.054 -9.214) 13.639 ======================= Grid point 196 (95/250) ======================= q-point: ( 0.33 -0.67 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -11.086 -0.000 -0.593) 11.101 1.449 ( 8.431 0.000 -2.001) 8.665 1.811 ( -1.475 -0.000 5.147) 5.354 1.874 ( 3.511 0.000 5.485) 6.512 1.979 ( -7.421 -0.000 8.050) 10.949 2.169 ( -3.243 -0.000 -1.514) 3.579 2.610 ( -2.040 -0.000 -2.904) 3.549 2.653 ( -8.700 -0.000 1.626) 8.851 2.856 ( 0.868 0.000 3.228) 3.343 3.520 ( 6.262 0.000 0.003) 6.262 4.351 ( 3.469 0.000 -4.470) 5.658 5.089 ( -4.428 -0.000 3.815) 5.845 5.451 ( 1.185 0.000 5.229) 5.361 6.248 ( 4.754 0.000 -9.207) 10.362 6.950 ( -12.285 -0.000 20.230) 23.668 9.315 ( 9.969 0.000 -11.587) 15.285 9.742 ( -28.310 -0.000 36.323) 46.052 11.984 ( 6.222 0.000 -2.135) 6.578 12.648 ( -6.943 -0.000 0.116) 6.943 12.695 ( -5.058 -0.000 4.851) 7.008 16.198 ( -10.408 -0.000 4.760) 11.445 17.077 ( -0.487 -0.000 4.499) 4.525 17.950 ( 4.980 0.000 -2.536) 5.588 18.924 ( 9.343 0.000 -1.433) 9.452 ======================= Grid point 198 (96/250) ======================= q-point: (-0.56 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -7.145 3.067 7.786) 11.003 1.500 ( 6.945 6.817 -5.812) 11.335 1.812 ( -1.010 -0.543 1.375) 1.791 1.893 ( -0.243 3.927 6.962) 7.997 1.999 ( -7.454 -0.553 6.316) 9.786 2.168 ( -0.110 -4.592 5.353) 7.053 2.527 ( -9.401 0.657 0.355) 9.431 2.594 ( 0.675 -2.123 -2.053) 3.029 2.917 ( 0.970 -0.424 6.224) 6.313 3.576 ( 3.301 0.672 -2.157) 4.000 4.326 ( 1.229 0.735 -6.632) 6.785 5.061 ( -4.816 0.123 4.630) 6.681 5.497 ( -0.594 1.054 4.733) 4.885 6.224 ( 4.650 -0.054 -10.159) 11.172 6.973 ( -11.736 -0.292 20.798) 23.882 9.328 ( 8.495 2.606 -10.864) 14.035 9.798 ( -21.040 -5.865 44.281) 49.375 12.029 ( 5.647 0.975 -5.257) 7.777 12.545 ( -5.224 0.316 -3.710) 6.415 12.665 ( -5.766 -0.374 5.016) 7.652 16.130 ( -9.157 -1.181 8.876) 12.807 17.110 ( -0.897 0.682 5.623) 5.735 17.982 ( 3.618 0.569 -2.888) 4.664 19.016 ( 7.065 0.419 -3.425) 7.863 ======================= Grid point 199 (97/250) ======================= q-point: (-0.44 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.387 4.072 13.511) 14.116 1.378 ( 4.753 13.141 -6.443) 15.388 1.836 ( -0.016 0.792 2.317) 2.449 1.917 ( -5.415 4.685 10.273) 12.522 1.939 ( -2.269 -2.365 2.272) 3.988 2.295 ( -3.108 -6.715 6.301) 9.719 2.394 ( -6.695 0.725 -0.128) 6.735 2.642 ( 3.947 -2.482 -1.104) 4.792 3.000 ( 1.485 -0.254 6.778) 6.943 3.547 ( -0.700 2.013 -4.560) 5.034 4.257 ( 0.715 1.140 -8.133) 8.243 5.042 ( -4.146 0.292 5.557) 6.940 5.492 ( -2.865 2.477 4.408) 5.812 6.197 ( 5.004 -0.126 -10.447) 11.584 7.006 ( -11.860 0.077 21.579) 24.624 9.294 ( 6.093 4.823 -8.052) 11.190 10.100 ( -16.090 -14.745 48.047) 52.772 12.017 ( 4.211 1.244 -9.092) 10.097 12.431 ( -4.266 0.083 -5.441) 6.915 12.643 ( -5.535 -0.173 6.836) 8.797 16.134 ( -6.673 -1.257 12.633) 14.343 17.135 ( -1.457 1.229 5.924) 6.224 17.984 ( 2.392 1.636 -2.914) 4.110 19.037 ( 3.305 1.153 -6.164) 7.088 ======================= Grid point 200 (98/250) ======================= q-point: (-0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.386 10.017 8.922) 13.420 1.310 ( 8.943 6.576 2.845) 11.459 1.774 ( -5.754 3.392 1.804) 6.919 1.912 ( -2.390 2.184 7.691) 8.344 1.962 ( -2.415 0.047 4.128) 4.782 2.260 ( -5.556 -1.889 -0.304) 5.876 2.429 ( -1.135 -4.468 4.705) 6.587 2.733 ( 5.523 -1.143 0.725) 5.687 3.082 ( 2.210 0.264 5.313) 5.760 3.428 ( -3.963 2.496 -7.452) 8.802 4.182 ( 1.612 1.300 -8.092) 8.353 5.041 ( -2.976 0.589 6.171) 6.876 5.445 ( -4.229 3.390 4.504) 7.047 6.180 ( 5.725 -0.270 -9.950) 11.483 7.033 ( -12.375 0.769 22.257) 25.478 9.241 ( 4.881 4.951 -6.792) 9.719 10.526 ( -19.193 -22.119 43.998) 52.853 11.956 ( 2.289 0.650 -11.390) 11.636 12.358 ( -2.609 -2.482 -0.389) 3.621 12.640 ( -4.665 0.705 8.452) 9.680 16.197 ( -3.625 0.315 14.859) 15.298 17.145 ( -2.155 1.574 5.234) 5.875 17.956 ( 1.408 2.961 -2.704) 4.250 18.960 ( -0.805 2.856 -9.086) 9.559 ======================= Grid point 201 (99/250) ======================= q-point: (-0.22 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.444 10.541 8.095) 13.298 1.435 ( 7.623 4.759 8.592) 12.433 1.672 ( -5.143 -0.920 -3.146) 6.099 1.869 ( -7.532 4.367 9.340) 12.769 1.970 ( -0.255 0.026 1.235) 1.261 2.272 ( 2.855 -1.645 1.450) 3.600 2.494 ( -2.509 -3.714 4.204) 6.145 2.817 ( 3.819 1.263 2.241) 4.604 3.146 ( 2.149 0.777 2.855) 3.657 3.264 ( -3.626 1.198 -9.822) 10.539 4.128 ( 3.128 1.366 -7.141) 7.914 5.053 ( -2.191 1.162 6.179) 6.658 5.387 ( -4.007 3.138 4.869) 7.044 6.182 ( 6.490 -0.404 -9.002) 11.105 7.047 ( -12.962 1.673 22.497) 26.018 9.188 ( 4.209 3.701 -6.529) 8.604 10.812 ( -28.589 -21.697 27.764) 45.376 11.863 ( 1.823 0.914 -11.764) 11.939 12.456 ( -3.512 -10.130 13.114) 16.938 12.651 ( -3.806 1.151 9.779) 10.556 16.289 ( -0.220 2.617 14.608) 14.842 17.131 ( -2.832 1.672 3.679) 4.934 17.903 ( 0.831 4.162 -2.428) 4.889 18.795 ( -2.402 4.658 -10.048) 11.333 ======================= Grid point 202 (100/250) ======================= q-point: (-0.11 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.022 5.696 8.446) 10.187 1.512 ( -0.954 4.765 10.247) 11.341 1.609 ( -1.164 -1.039 -2.252) 2.740 1.816 ( -3.696 1.326 3.004) 4.944 1.983 ( 0.194 -0.134 3.133) 3.142 2.342 ( 3.913 0.031 -3.035) 4.952 2.556 ( -1.472 -3.397 8.004) 8.818 2.828 ( -2.107 0.819 0.229) 2.272 3.125 ( -0.350 1.387 -5.933) 6.103 3.200 ( 3.597 1.077 -1.371) 3.998 4.109 ( 5.230 1.085 -6.043) 8.065 5.062 ( -1.961 1.362 5.819) 6.290 5.351 ( -2.730 2.380 5.030) 6.199 6.203 ( 6.873 -0.366 -8.091) 10.622 7.041 ( -13.538 2.603 22.125) 26.069 9.157 ( 4.869 1.457 -6.604) 8.333 10.767 ( -36.524 -14.394 15.557) 42.229 11.795 ( 3.790 0.419 -9.104) 9.871 12.628 ( -5.128 -2.981 11.890) 13.288 12.727 ( -9.233 -9.737 17.624) 22.151 16.387 ( 2.198 3.274 11.244) 11.915 17.094 ( -3.168 1.503 1.856) 3.968 17.842 ( 1.425 4.411 -2.115) 5.095 18.635 ( 0.297 4.447 -7.285) 8.541 ======================= Grid point 207 (101/250) ======================= q-point: ( 0.44 -0.56 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.554 -0.000 12.821) 12.833 1.594 ( 6.335 0.000 -9.024) 11.026 1.806 ( 0.011 0.000 1.152) 1.152 1.890 ( -2.873 -0.000 0.935) 3.021 2.022 ( -8.012 -0.000 14.646) 16.694 2.171 ( 0.626 0.000 2.410) 2.490 2.404 ( -8.224 -0.000 0.647) 8.250 2.609 ( 3.174 0.000 1.828) 3.663 2.995 ( 0.701 0.000 8.411) 8.440 3.573 ( -0.413 -0.000 -4.608) 4.627 4.272 ( 0.668 0.000 -8.346) 8.373 5.046 ( -4.163 -0.000 5.735) 7.087 5.524 ( -2.612 -0.000 4.419) 5.133 6.195 ( 5.112 0.000 -10.697) 11.856 7.007 ( -11.464 -0.000 21.707) 24.548 9.370 ( 9.067 0.000 -11.662) 14.772 9.906 ( -19.181 -0.000 49.156) 52.766 12.034 ( 4.033 0.000 -9.858) 10.651 12.433 ( -4.400 -0.000 -6.164) 7.573 12.641 ( -5.069 -0.000 7.121) 8.741 16.120 ( -5.209 -0.000 12.456) 13.502 17.151 ( -1.627 -0.000 6.090) 6.304 18.005 ( 3.020 0.000 -3.140) 4.357 19.051 ( 3.340 0.000 -5.592) 6.514 ======================= Grid point 209 (102/250) ======================= q-point: (-0.44 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 4.743 2.420 12.288) 13.392 1.500 ( 2.496 7.106 -8.367) 11.257 1.850 ( -4.513 0.608 0.597) 4.593 1.864 ( 1.568 -1.994 1.214) 2.812 2.013 ( -7.166 1.834 12.222) 14.287 2.187 ( -5.350 -3.055 1.780) 6.413 2.358 ( -0.375 -1.051 2.289) 2.546 2.707 ( 5.701 -0.670 4.362) 7.210 3.083 ( 0.813 -0.093 7.902) 7.944 3.471 ( -4.775 0.912 -8.311) 9.628 4.206 ( 1.621 0.556 -8.196) 8.373 5.052 ( -2.991 0.249 6.790) 7.424 5.506 ( -4.461 1.361 4.472) 6.462 6.174 ( 5.881 -0.118 -10.472) 12.011 7.046 ( -12.110 0.249 22.787) 25.806 9.358 ( 6.722 3.509 -9.924) 12.489 10.144 ( -19.061 -8.515 46.588) 51.052 11.969 ( 2.329 0.309 -12.673) 12.889 12.327 ( -3.033 -0.468 -4.789) 5.688 12.653 ( -3.781 0.319 8.976) 9.745 16.205 ( -0.978 0.234 15.154) 15.188 17.173 ( -2.484 0.611 5.489) 6.056 18.009 ( 2.439 1.147 -2.773) 3.867 19.003 ( -0.796 0.800 -7.798) 7.879 ======================= Grid point 210 (103/250) ======================= q-point: (-0.33 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.476 9.399 2.476) 9.732 1.487 ( 7.480 -0.117 2.282) 7.822 1.729 ( -6.229 4.451 0.552) 7.675 1.917 ( -1.000 -1.501 0.182) 1.813 1.976 ( -9.561 1.136 10.237) 14.054 2.205 ( 1.740 -3.206 1.292) 3.869 2.413 ( 0.137 -2.294 3.577) 4.251 2.839 ( 5.735 0.557 4.614) 7.382 3.157 ( 0.902 0.134 5.360) 5.437 3.284 ( -6.470 0.441 -11.546) 13.242 4.159 ( 2.882 1.028 -6.746) 7.407 5.077 ( -2.065 0.758 7.337) 7.660 5.456 ( -5.293 2.202 4.810) 7.484 6.172 ( 6.651 -0.341 -9.628) 11.706 7.078 ( -12.998 0.788 23.721) 27.060 9.298 ( 4.158 4.653 -8.134) 10.252 10.372 ( -23.936 -13.158 35.981) 45.174 11.875 ( 1.784 0.156 -12.659) 12.785 12.306 ( -1.154 -3.193 2.976) 4.515 12.684 ( -2.974 1.134 9.590) 10.104 16.348 ( 2.230 1.963 16.138) 16.409 17.166 ( -3.327 1.073 4.084) 5.376 17.992 ( 1.816 2.796 -1.983) 3.879 18.872 ( -3.812 1.841 -9.390) 10.300 ======================= Grid point 211 (104/250) ======================= q-point: (-0.22 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -3.924 6.519 0.106) 7.610 1.575 ( -2.445 0.707 0.018) 2.545 1.664 ( 6.173 4.848 5.624) 9.656 1.847 ( -9.226 1.288 5.876) 11.014 1.973 ( -2.452 -1.012 4.078) 4.865 2.297 ( 4.484 -3.347 -2.511) 6.133 2.480 ( -0.644 -2.491 6.327) 6.830 2.858 ( -4.612 1.510 -3.694) 6.099 3.146 ( 2.123 0.152 -5.860) 6.234 3.211 ( 1.976 -0.048 1.969) 2.790 4.138 ( 4.111 1.192 -5.268) 6.788 5.101 ( -2.209 1.593 7.124) 7.627 5.405 ( -4.544 1.893 5.233) 7.185 6.191 ( 7.096 -0.561 -8.658) 11.208 7.096 ( -13.814 1.684 24.045) 27.782 9.222 ( 3.005 3.677 -7.140) 8.575 10.424 ( -30.368 -12.306 23.766) 40.478 11.797 ( 2.733 -0.215 -10.590) 10.939 12.424 ( -2.225 -7.113 11.887) 14.030 12.715 ( -2.768 1.677 9.638) 10.167 16.493 ( 3.203 4.699 15.007) 16.049 17.129 ( -3.908 1.346 2.400) 4.779 17.954 ( 1.143 4.370 -1.245) 4.685 18.708 ( -3.250 1.652 -8.895) 9.613 ======================= Grid point 212 (105/250) ======================= q-point: (-0.11 -0.56 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -7.060 0.520 -2.023) 7.363 1.530 ( -2.022 2.241 3.731) 4.799 1.736 ( 1.780 4.898 7.954) 9.509 1.784 ( -3.328 -0.234 0.555) 3.382 1.990 ( -3.314 -1.479 5.368) 6.480 2.324 ( 1.463 -0.316 -6.718) 6.883 2.576 ( -1.277 -3.852 7.032) 8.119 2.702 ( -6.343 -2.658 -6.993) 9.808 3.134 ( 2.732 2.982 -4.481) 6.036 3.282 ( 6.102 0.758 1.808) 6.410 4.151 ( 5.616 0.616 -4.107) 6.985 5.104 ( -3.008 1.768 6.425) 7.312 5.383 ( -3.005 1.291 5.360) 6.279 6.221 ( 6.973 -0.580 -8.025) 10.647 7.088 ( -14.579 2.821 23.356) 27.676 9.178 ( 4.514 1.225 -6.726) 8.193 10.292 ( -34.303 -8.517 19.912) 40.568 11.770 ( 4.135 -1.083 -7.509) 8.640 12.585 ( -5.759 -7.363 13.583) 16.489 12.741 ( -3.356 1.343 9.343) 10.018 16.574 ( 0.567 7.130 11.697) 13.710 17.075 ( -3.618 1.220 1.253) 4.019 17.902 ( 1.210 4.246 -1.036) 4.535 18.612 ( 1.365 0.020 -5.637) 5.800 ======================= Grid point 218 (106/250) ======================= q-point: (-0.44 -0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 8.015 0.000 9.593) 12.500 1.450 ( -3.799 -0.000 -7.024) 7.985 1.809 ( -5.441 -0.000 -1.099) 5.550 1.872 ( 4.063 0.000 -1.210) 4.239 1.986 ( -13.175 -0.000 13.263) 18.695 2.156 ( 0.166 0.000 2.076) 2.083 2.388 ( 2.169 0.000 2.072) 2.999 2.845 ( 6.713 0.000 5.819) 8.884 3.157 ( 0.191 0.000 6.619) 6.622 3.289 ( -7.764 -0.000 -12.264) 14.515 4.172 ( 2.821 0.000 -6.639) 7.213 5.087 ( -1.994 -0.000 7.795) 8.046 5.485 ( -5.773 -0.000 4.779) 7.495 6.168 ( 6.685 0.000 -9.896) 11.942 7.087 ( -13.091 -0.000 24.141) 27.462 9.368 ( 5.178 0.000 -10.864) 12.035 10.200 ( -22.958 -0.000 39.517) 45.702 11.876 ( 1.681 0.000 -13.112) 13.219 12.269 ( -1.099 -0.000 0.170) 1.112 12.699 ( -2.677 -0.000 9.687) 10.051 16.374 ( 3.433 0.000 16.709) 17.058 17.180 ( -3.447 -0.000 4.222) 5.451 18.029 ( 2.381 0.000 -1.791) 2.980 18.894 ( -4.305 -0.000 -9.112) 10.078 ======================= Grid point 219 (107/250) ======================= q-point: (-0.33 -0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -8.615 3.231 -3.547) 9.861 1.610 ( 4.427 1.644 5.014) 6.888 1.737 ( -0.294 0.682 0.515) 0.904 1.887 ( -7.832 1.697 6.394) 10.252 1.939 ( -2.338 -1.132 4.490) 5.187 2.210 ( 3.098 -2.759 -0.109) 4.150 2.442 ( 1.048 -0.674 3.667) 3.873 2.889 ( -6.387 0.779 -6.368) 9.053 3.139 ( 4.143 -0.383 -4.496) 6.125 3.207 ( 0.017 -0.139 3.848) 3.851 4.161 ( 3.495 0.526 -4.851) 6.002 5.131 ( -1.856 0.699 8.115) 8.354 5.439 ( -6.206 0.765 5.157) 8.105 6.179 ( 7.106 -0.282 -9.035) 11.498 7.122 ( -14.101 0.475 25.282) 28.952 9.309 ( 2.797 2.469 -10.029) 10.701 10.200 ( -26.997 -5.105 28.911) 39.884 11.790 ( 2.268 -0.247 -11.517) 11.741 12.311 ( -0.127 -2.203 7.550) 7.865 12.747 ( -2.551 0.740 9.502) 9.867 16.585 ( 5.778 2.179 16.967) 18.055 17.155 ( -4.094 0.594 2.724) 4.953 18.038 ( 1.941 2.052 -0.303) 2.841 18.728 ( -6.008 0.241 -9.690) 11.404 ======================= Grid point 220 (108/250) ======================= q-point: (-0.22 -0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -12.537 3.025 -2.576) 13.152 1.608 ( -1.887 3.359 2.635) 4.668 1.757 ( -5.647 -1.445 4.446) 7.331 1.841 ( -1.481 2.583 5.721) 6.449 1.969 ( 0.646 0.197 2.223) 2.323 2.281 ( 4.010 -2.851 -4.340) 6.561 2.500 ( -1.714 -1.971 5.672) 6.245 2.654 ( -9.449 -1.238 -10.874) 14.459 3.194 ( 3.158 1.928 -2.099) 4.254 3.275 ( 6.980 -1.091 1.405) 7.203 4.168 ( 4.018 0.611 -3.527) 5.381 5.154 ( -3.203 1.931 7.502) 8.383 5.401 ( -5.103 0.208 5.513) 7.515 6.204 ( 7.027 -0.613 -8.353) 10.933 7.141 ( -14.953 1.443 25.467) 29.568 9.224 ( 2.313 2.079 -8.881) 9.410 10.109 ( -29.797 -5.721 24.305) 38.876 11.742 ( 3.505 -1.004 -9.079) 9.783 12.434 ( -1.641 -4.353 11.499) 12.404 12.780 ( -3.069 1.329 8.857) 9.467 16.762 ( 4.798 6.850 15.740) 17.824 17.105 ( -4.115 1.074 1.628) 4.554 18.015 ( 0.236 4.651 0.365) 4.671 18.584 ( -3.093 -2.161 -7.856) 8.716 ======================= Grid point 221 (109/250) ======================= q-point: (-0.11 -0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -13.078 -0.427 -1.719) 13.197 1.552 ( -5.728 0.400 2.031) 6.091 1.740 ( -2.669 0.607 2.072) 3.433 1.792 ( -8.692 -0.736 2.661) 9.120 1.988 ( -0.733 1.091 3.079) 3.348 2.287 ( 1.419 1.167 -4.255) 4.635 2.485 ( -2.539 -4.168 -3.040) 5.750 2.616 ( -0.114 -3.725 3.686) 5.242 3.156 ( 0.932 3.315 -4.542) 5.700 3.397 ( 8.486 -0.174 -1.730) 8.662 4.195 ( 4.659 -0.137 -2.917) 5.499 5.135 ( -4.592 2.094 6.379) 8.134 5.392 ( -3.828 -0.319 5.511) 6.718 6.232 ( 6.470 -0.742 -8.149) 10.432 7.128 ( -15.809 2.837 23.971) 28.854 9.181 ( 5.170 -0.464 -9.160) 10.529 9.989 ( -30.177 -3.264 30.687) 43.162 11.748 ( 4.814 -2.105 -6.541) 8.390 12.554 ( -4.077 -4.503 10.299) 11.957 12.789 ( -3.992 1.538 7.789) 8.887 16.800 ( -1.696 12.746 12.824) 18.160 17.056 ( -2.719 1.157 1.511) 3.319 17.948 ( -0.985 3.787 -0.596) 3.958 18.581 ( 4.011 -4.307 -3.313) 6.754 ======================= Grid point 228 (110/250) ======================= q-point: (-0.33 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -13.776 -0.000 -1.124) 13.822 1.655 ( -9.060 -0.000 4.964) 10.331 1.738 ( 1.017 0.000 1.788) 2.057 1.854 ( -7.080 -0.000 7.610) 10.394 1.993 ( 7.043 0.000 -2.857) 7.600 2.229 ( 3.069 0.000 -1.127) 3.270 2.478 ( -0.835 -0.000 4.797) 4.869 2.639 ( -10.870 -0.000 -12.484) 16.553 3.227 ( -0.372 -0.000 1.577) 1.621 3.249 ( 10.532 0.000 -1.322) 10.615 4.176 ( 3.439 0.000 -3.301) 4.767 5.181 ( -2.674 -0.000 8.112) 8.541 5.401 ( -6.583 -0.000 5.363) 8.491 6.196 ( 6.992 0.000 -8.458) 10.974 7.159 ( -15.042 -0.000 26.409) 30.393 9.254 ( 1.439 0.000 -11.003) 11.096 10.035 ( -28.240 -0.000 26.827) 38.951 11.729 ( 3.276 0.000 -9.698) 10.236 12.380 ( -0.471 -0.000 10.551) 10.562 12.797 ( -3.135 -0.000 8.794) 9.336 16.855 ( 7.754 0.000 17.139) 18.811 17.120 ( -4.287 -0.000 1.795) 4.648 18.089 ( 1.854 0.000 2.205) 2.881 18.543 ( -7.085 -0.000 -9.784) 12.080 ======================= Grid point 229 (111/250) ======================= q-point: (-0.22 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -15.594 2.761 1.411) 15.899 1.533 ( -14.668 -1.185 5.954) 15.875 1.747 ( -12.779 -0.768 1.525) 12.893 1.780 ( -0.088 0.625 -0.290) 0.694 2.032 ( 4.848 1.736 -4.253) 6.679 2.268 ( 3.404 -2.033 -3.555) 5.325 2.454 ( -2.834 1.558 -0.855) 3.345 2.529 ( -1.179 -3.183 3.431) 4.826 3.219 ( 0.252 1.575 -1.150) 1.966 3.373 ( 10.046 -1.162 -5.165) 11.356 4.195 ( 3.293 0.047 -2.636) 4.218 5.191 ( -4.736 1.868 7.166) 8.790 5.369 ( -5.727 -1.151 5.473) 8.005 6.217 ( 6.474 -0.401 -8.197) 10.453 7.179 ( -15.765 1.122 25.743) 30.207 9.172 ( 1.940 -0.259 -10.955) 11.129 9.934 ( -26.618 -1.133 35.363) 44.276 11.707 ( 4.447 -0.978 -7.954) 9.165 12.473 ( -1.935 -1.788 10.144) 10.480 12.817 ( -4.262 0.628 7.701) 8.824 17.060 ( -0.683 4.285 7.805) 8.930 17.092 ( 3.757 3.302 9.926) 11.115 18.087 ( -1.287 7.053 2.214) 7.503 18.423 ( -2.310 -7.560 -6.030) 9.943 ======================= Grid point 230 (112/250) ======================= q-point: (-0.11 -0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -15.200 2.465 4.559) 16.060 1.350 ( -17.085 -3.023 -7.298) 18.823 1.570 ( -17.660 -5.799 9.045) 20.672 1.791 ( 0.293 2.287 3.825) 4.466 2.028 ( 1.993 1.977 -1.727) 3.296 2.302 ( 3.804 -1.557 -4.944) 6.429 2.443 ( -0.413 0.504 3.911) 3.965 2.607 ( 1.529 -4.016 2.313) 4.880 3.168 ( 0.227 3.764 -3.635) 5.238 3.454 ( 7.287 -1.935 -7.936) 10.947 4.219 ( 3.408 -0.639 -3.072) 4.633 5.144 ( -6.024 2.329 5.868) 8.727 5.366 ( -5.025 -1.946 5.269) 7.536 6.233 ( 5.755 -0.642 -8.388) 10.193 7.152 ( -16.691 2.713 22.732) 28.332 9.128 ( 4.258 -2.505 -12.125) 13.093 10.015 ( -18.507 2.804 54.727) 57.839 11.733 ( 5.703 -2.569 -6.397) 8.947 12.541 ( -3.470 -2.201 7.000) 8.117 12.804 ( -5.547 0.943 6.432) 8.546 17.012 ( -4.072 4.982 5.621) 8.544 17.128 ( -0.215 14.959 10.221) 18.119 17.959 ( -3.523 4.716 -0.923) 5.958 18.558 ( 7.036 -9.726 0.256) 12.007 ======================= Grid point 238 (113/250) ======================= q-point: (-0.22 -0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -15.619 -0.000 5.655) 16.611 1.309 ( -19.076 -0.000 -7.221) 20.397 1.477 ( -22.292 -0.000 12.451) 25.534 1.832 ( 0.455 0.000 3.296) 3.327 2.057 ( 6.319 0.000 -8.811) 10.842 2.257 ( 1.370 0.000 -2.975) 3.275 2.508 ( -3.578 -0.000 5.449) 6.519 2.510 ( 4.625 0.000 1.595) 4.892 3.227 ( 0.146 0.000 -0.246) 0.286 3.414 ( 8.117 0.000 -12.007) 14.494 4.212 ( 2.854 0.000 -3.035) 4.166 5.188 ( -6.550 -0.000 6.242) 9.048 5.326 ( -5.629 -0.000 5.242) 7.692 6.224 ( 5.789 0.000 -8.326) 10.140 7.189 ( -16.420 -0.000 23.016) 28.273 9.093 ( 2.667 0.000 -11.297) 11.608 10.054 ( -15.081 -0.000 59.975) 61.842 11.698 ( 5.331 0.000 -7.482) 9.187 12.512 ( -2.665 -0.000 7.374) 7.841 12.816 ( -5.763 -0.000 6.386) 8.602 17.043 ( -3.487 -0.000 2.394) 4.229 17.388 ( 9.212 0.000 13.364) 16.231 18.212 ( -4.185 -0.000 -7.501) 8.589 18.234 ( 1.725 0.000 9.598) 9.751 ======================= Grid point 239 (114/250) ======================= q-point: (-0.11 -0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -14.062 3.112 9.987) 17.525 0.937 ( -22.347 -3.565 -8.363) 24.125 1.399 ( -19.839 -4.451 24.921) 32.162 1.844 ( -1.403 1.448 3.468) 4.012 2.052 ( 5.092 1.222 -8.163) 9.698 2.254 ( 1.156 -2.832 -5.247) 6.073 2.497 ( -1.623 1.049 4.581) 4.971 2.610 ( 3.582 -2.728 0.942) 4.599 3.196 ( -0.048 4.583 -1.791) 4.921 3.394 ( 2.668 -3.955 -12.391) 13.278 4.220 ( 2.899 -0.502 -4.638) 5.493 5.128 ( -7.300 1.617 5.117) 9.060 5.313 ( -5.131 -1.904 4.999) 7.412 6.225 ( 5.207 -0.315 -8.741) 10.179 7.137 ( -17.257 1.550 19.516) 26.097 9.052 ( 4.679 -1.522 -11.141) 12.179 10.644 ( 10.886 9.211 82.474) 83.698 11.726 ( 6.588 -2.652 -6.802) 9.834 12.528 ( -3.348 -0.523 4.318) 5.489 12.777 ( -7.056 0.342 5.295) 8.828 17.022 ( -2.897 0.371 3.648) 4.673 17.482 ( 2.636 20.270 8.899) 22.294 17.973 ( -5.154 10.815 -1.314) 12.052 18.529 ( 8.015 -15.966 3.468) 18.198 ======================= Grid point 248 (115/250) ======================= q-point: (-0.11 -0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -11.544 -0.000 12.412) 16.951 0.606 ( -16.954 -0.000 8.850) 19.125 1.371 ( -18.954 -0.000 33.723) 38.685 1.850 ( -4.889 -0.000 6.133) 7.843 2.054 ( 8.478 0.000 -14.010) 16.376 2.183 ( -1.418 -0.000 -5.339) 5.524 2.502 ( -0.119 -0.000 0.753) 0.763 2.662 ( 1.905 0.000 4.059) 4.484 3.230 ( -1.949 -0.000 -12.691) 12.839 3.240 ( -0.713 -0.000 2.044) 2.164 4.203 ( 2.660 0.000 -6.876) 7.372 5.075 ( -7.354 -0.000 4.280) 8.508 5.281 ( -4.334 -0.000 4.922) 6.558 6.212 ( 4.996 0.000 -9.076) 10.360 7.075 ( -17.012 -0.000 18.149) 24.875 9.024 ( 6.600 0.000 -10.233) 12.177 11.723 ( 6.627 0.000 -8.577) 10.839 11.930 ( 48.666 0.000 55.881) 74.102 12.576 ( 7.215 0.000 20.653) 21.877 12.719 ( -7.944 -0.000 4.821) 9.292 17.021 ( -2.706 -0.000 4.281) 5.065 17.717 ( 4.625 0.000 -1.188) 4.775 18.074 ( 1.352 0.000 -2.934) 3.231 18.388 ( -9.628 -0.000 -7.663) 12.305 ======================= Grid point 249 (116/250) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -2.571 -0.000 16.232) 16.434 1.306 ( 3.373 0.000 16.313) 16.658 1.769 ( 5.206 0.000 -8.985) 10.384 1.789 ( -6.089 -0.000 -6.153) 8.657 1.975 ( 1.930 0.000 2.290) 2.995 2.159 ( -2.728 -0.000 10.794) 11.134 2.632 ( 4.642 0.000 3.297) 5.694 2.744 ( 1.069 0.000 3.920) 4.063 3.061 ( 1.650 0.000 -1.245) 2.068 3.216 ( -5.889 -0.000 -0.343) 5.899 4.010 ( -2.278 -0.000 0.181) 2.285 5.054 ( -1.251 -0.000 1.238) 1.760 5.370 ( -4.360 -0.000 6.291) 7.654 6.009 ( 6.927 0.000 -9.375) 11.656 7.371 ( -14.566 -0.000 20.477) 25.129 8.870 ( 10.381 0.000 -11.251) 15.309 11.581 ( 5.988 0.000 -6.687) 8.976 11.794 ( -10.595 -0.000 -11.734) 15.809 12.755 ( -5.244 -0.000 9.230) 10.616 14.293 ( 11.299 0.000 -10.990) 15.762 16.713 ( -42.849 -0.000 12.196) 44.551 17.107 ( -3.786 -0.000 3.720) 5.308 17.708 ( -2.394 -0.000 -2.744) 3.642 18.152 ( 9.178 0.000 -2.579) 9.534 ======================= Grid point 250 (117/250) ======================= q-point: ( 0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.114 -0.360 12.343) 12.349 1.488 ( 3.503 -1.165 10.949) 11.554 1.668 ( -3.611 0.749 -2.943) 4.719 1.766 ( 0.274 -2.744 -5.030) 5.736 2.029 ( 2.604 1.128 4.414) 5.248 2.193 ( 0.945 -1.364 -2.090) 2.669 2.707 ( 4.116 2.609 3.577) 6.045 2.849 ( 1.937 -1.263 8.433) 8.744 3.055 ( 0.867 -0.193 -5.357) 5.430 3.123 ( -5.754 -1.026 -0.821) 5.902 4.008 ( -0.647 -0.717 3.185) 3.329 5.068 ( 0.728 -0.846 1.318) 1.727 5.377 ( -3.968 -1.042 6.479) 7.669 6.024 ( 7.341 0.152 -8.877) 11.520 7.369 ( -14.051 -1.292 20.972) 25.277 8.914 ( 10.214 -0.536 -11.386) 15.305 11.487 ( -16.801 3.323 -6.621) 18.362 11.621 ( 5.281 -0.941 -5.658) 7.797 12.781 ( -5.035 -0.229 11.594) 12.642 13.973 ( -23.849 15.395 -4.071) 28.677 16.481 ( -13.117 -1.097 17.013) 21.511 17.093 ( -3.337 -1.216 2.500) 4.343 17.675 ( 0.165 -1.578 -2.888) 3.295 18.292 ( 8.997 -4.487 -3.429) 10.622 ======================= Grid point 251 (118/250) ======================= q-point: ( 0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.433 1.312 4.782) 4.978 1.612 ( 2.281 -0.446 1.198) 2.615 1.625 ( -2.556 -0.602 5.460) 6.059 1.765 ( -1.614 -3.016 1.193) 3.623 2.100 ( 2.441 0.802 5.268) 5.861 2.190 ( 2.405 -1.266 -6.509) 7.053 2.756 ( 3.035 2.567 2.961) 4.957 2.850 ( -4.392 3.470 -4.373) 7.103 3.008 ( -2.479 -0.877 0.812) 2.752 3.143 ( 3.258 -3.554 0.670) 4.868 4.066 ( 1.164 -0.995 5.752) 5.952 5.112 ( 1.136 -1.503 1.754) 2.575 5.405 ( -3.181 -1.927 6.404) 7.405 6.044 ( 7.555 0.331 -8.913) 11.689 7.394 ( -13.944 -2.861 21.312) 25.628 8.954 ( 9.562 -0.424 -11.624) 15.057 11.120 ( -24.548 4.587 2.442) 25.092 11.665 ( 6.238 0.379 -3.858) 7.345 12.825 ( -5.015 -0.492 11.801) 12.832 13.427 ( -25.358 13.613 5.321) 29.269 16.540 ( -5.065 -3.043 13.363) 14.611 17.087 ( -2.896 -1.337 1.934) 3.730 17.702 ( 2.859 -3.057 -2.141) 4.701 18.425 ( 8.351 -2.788 -4.216) 9.761 ======================= Grid point 252 (119/250) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -3.529 4.327 0.055) 5.584 1.619 ( -1.244 0.658 0.585) 1.525 1.654 ( -2.139 -1.721 2.984) 4.054 1.829 ( 0.528 -2.924 4.127) 5.085 2.144 ( -0.286 0.005 1.923) 1.944 2.195 ( 1.857 0.049 0.052) 1.859 2.654 ( -3.440 5.943 -7.935) 10.493 2.793 ( 1.274 1.545 2.176) 2.957 2.989 ( -4.063 -2.466 -0.085) 4.754 3.255 ( 6.005 -1.863 0.712) 6.327 4.154 ( 1.738 -0.398 6.199) 6.451 5.160 ( -0.129 -1.775 2.383) 2.974 5.449 ( -2.440 -2.032 6.097) 6.874 6.060 ( 7.449 0.448 -9.516) 12.093 7.435 ( -14.418 -3.912 21.211) 25.944 8.977 ( 8.979 0.023 -12.177) 15.130 10.781 ( -26.108 3.658 14.345) 30.013 11.707 ( 5.951 1.897 -2.605) 6.768 12.862 ( -5.055 -0.726 9.612) 10.884 13.058 ( -16.995 7.878 6.274) 19.755 16.631 ( -6.848 -6.157 12.138) 15.236 17.081 ( -2.576 -0.694 2.475) 3.639 17.779 ( 4.114 -3.440 -1.567) 5.587 18.519 ( 8.304 -0.001 -3.823) 9.142 ======================= Grid point 253 (120/250) ======================= q-point: (-0.56 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -6.683 5.453 2.521) 8.986 1.534 ( -8.087 0.725 -4.704) 9.384 1.666 ( -1.247 1.606 3.898) 4.396 1.900 ( 1.250 -3.303 1.258) 3.749 2.156 ( -3.694 1.931 6.474) 7.699 2.220 ( 1.947 -0.308 1.205) 2.311 2.507 ( 1.854 4.642 -5.409) 7.365 2.792 ( -2.515 2.156 3.519) 4.833 2.965 ( -2.281 -3.697 -2.734) 5.132 3.354 ( 6.113 -0.169 -0.913) 6.183 4.222 ( 0.658 0.644 4.657) 4.748 5.189 ( -2.217 -1.648 2.657) 3.833 5.490 ( -2.483 -1.059 5.746) 6.348 6.065 ( 6.968 0.447 -10.327) 12.466 7.470 ( -15.310 -4.039 20.593) 25.976 8.975 ( 8.322 1.110 -13.489) 15.888 10.619 ( -20.272 -0.934 27.476) 34.158 11.733 ( 5.534 3.415 -2.200) 6.865 12.835 ( -11.013 3.778 5.533) 12.890 12.884 ( -5.329 -0.808 5.236) 7.515 16.732 ( -9.421 -10.912 12.386) 19.007 17.082 ( -1.947 -0.224 3.700) 4.187 17.852 ( 2.951 -2.293 -1.792) 4.144 18.597 ( 9.282 1.992 -2.708) 9.873 ======================= Grid point 254 (121/250) ======================= q-point: (-0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -7.714 3.703 8.526) 12.079 1.298 ( -15.216 3.580 -2.790) 15.879 1.657 ( 0.721 2.339 0.977) 2.636 1.983 ( 2.486 -2.899 1.809) 4.226 2.102 ( -7.901 3.426 9.343) 12.706 2.256 ( 4.501 2.856 -3.693) 6.485 2.502 ( 3.122 -0.186 2.084) 3.758 2.726 ( -4.976 2.503 0.490) 5.592 2.978 ( -0.104 -3.994 -1.639) 4.318 3.405 ( 4.314 1.825 -1.916) 5.061 4.236 ( -1.252 1.450 2.163) 2.890 5.188 ( -3.885 -1.421 2.533) 4.851 5.502 ( -3.636 0.720 5.389) 6.540 6.055 ( 6.305 0.329 -10.894) 12.591 7.481 ( -16.079 -3.258 19.803) 25.716 8.932 ( 7.308 2.624 -14.140) 16.131 10.786 ( -6.829 -9.257 37.540) 39.263 11.741 ( 5.693 4.224 -2.094) 7.391 12.700 ( -8.955 1.614 3.349) 9.696 12.870 ( -4.805 -1.041 3.381) 5.967 16.870 ( -11.365 -16.403 12.633) 23.618 17.098 ( -1.750 -0.053 4.785) 5.095 17.878 ( 1.172 -0.487 -2.407) 2.722 18.676 ( 9.762 3.297 -2.678) 10.646 ======================= Grid point 255 (122/250) ======================= q-point: (-0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -6.288 1.771 12.702) 14.283 1.039 ( -15.341 4.353 7.380) 17.572 1.660 ( 3.253 0.945 -1.178) 3.587 2.029 ( -6.539 0.341 6.802) 9.441 2.062 ( -1.872 3.471 8.779) 9.625 2.202 ( 2.596 4.003 -7.806) 9.148 2.591 ( -1.071 -0.519 5.647) 5.771 2.631 ( 0.524 0.743 -3.557) 3.672 3.013 ( -0.228 -3.201 -0.825) 3.314 3.394 ( 1.099 3.454 -1.055) 3.775 4.196 ( -2.736 1.582 -0.146) 3.164 5.166 ( -4.631 -1.174 2.180) 5.251 5.470 ( -4.988 2.295 5.280) 7.617 6.035 ( 5.853 0.175 -11.033) 12.491 7.466 ( -16.273 -1.841 19.393) 25.382 8.871 ( 7.494 3.044 -13.075) 15.375 11.288 ( 7.518 -15.153 25.953) 30.979 11.794 ( 9.874 1.097 4.335) 10.839 12.628 ( -5.869 -1.904 7.148) 9.443 12.838 ( -5.156 -0.563 2.749) 5.870 17.047 ( -13.523 -22.012 11.310) 28.202 17.117 ( -2.256 0.256 5.465) 5.918 17.860 ( 0.069 0.534 -2.763) 2.815 18.709 ( 7.006 5.598 -6.163) 10.881 ======================= Grid point 256 (123/250) ======================= q-point: (-0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -7.544 1.701 13.807) 15.825 0.967 ( -5.630 2.781 19.490) 20.476 1.708 ( 6.532 -1.613 -4.484) 8.086 1.974 ( -7.550 2.765 7.864) 11.247 2.056 ( -3.454 4.237 9.172) 10.677 2.110 ( -1.450 2.174 -6.123) 6.658 2.539 ( 0.090 2.138 -1.007) 2.365 2.703 ( 1.987 -2.010 1.591) 3.243 3.029 ( -0.153 -1.364 -0.826) 1.602 3.344 ( -1.983 3.040 0.977) 3.759 4.128 ( -3.219 1.149 -1.439) 3.708 5.128 ( -4.697 -0.372 1.605) 4.978 5.418 ( -5.170 2.275 5.660) 7.996 6.015 ( 5.915 0.042 -10.744) 12.265 7.433 ( -15.901 -0.398 19.549) 25.202 8.836 ( 8.748 2.339 -11.919) 14.969 11.546 ( 4.942 -2.405 -4.664) 7.208 12.059 ( 7.105 -4.972 -4.267) 9.665 12.794 ( -5.393 -0.172 3.702) 6.543 12.954 ( 20.342 -17.407 27.589) 38.444 17.124 ( -4.206 -0.720 5.363) 6.853 17.220 ( -17.453 -25.066 7.207) 31.382 17.824 ( -1.180 -0.024 -2.577) 2.834 18.565 ( -0.854 12.716 -12.431) 17.804 ======================= Grid point 257 (124/250) ======================= q-point: (-0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -6.241 0.998 16.810) 17.959 1.109 ( 1.534 1.573 20.251) 20.370 1.767 ( 8.519 -0.808 -11.192) 14.088 1.925 ( -1.081 0.399 -2.093) 2.389 1.963 ( -8.463 1.288 1.530) 8.696 2.090 ( -3.959 2.834 15.953) 16.679 2.551 ( 3.473 0.560 1.309) 3.753 2.733 ( -0.079 -0.388 -0.433) 0.587 3.041 ( 1.406 0.128 0.257) 1.435 3.287 ( -4.254 1.022 1.294) 4.562 4.059 ( -3.053 0.613 -1.431) 3.427 5.080 ( -3.593 0.385 1.274) 3.832 5.383 ( -4.622 1.059 6.048) 7.686 6.005 ( 6.388 -0.039 -10.110) 11.959 7.396 ( -15.249 0.348 19.985) 25.141 8.838 ( 9.855 1.148 -11.365) 15.086 11.566 ( 5.223 -0.297 -7.306) 8.986 12.004 ( -4.453 -1.343 -12.377) 13.223 12.760 ( -5.530 0.128 6.146) 8.269 13.825 ( 35.584 -18.187 8.369) 40.829 17.111 ( -9.103 -3.506 4.640) 10.802 17.204 ( -32.098 -16.013 1.042) 35.885 17.779 ( -4.409 -1.347 -1.824) 4.958 18.211 ( 0.784 18.143 -8.705) 20.139 ======================= Grid point 259 (125/250) ======================= q-point: ( 0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 2.164 0.000 5.620) 6.022 1.584 ( -0.121 -0.000 3.357) 3.359 1.637 ( -0.736 -0.000 2.247) 2.364 1.725 ( 0.171 0.000 1.566) 1.575 2.122 ( 3.749 0.000 4.017) 5.495 2.163 ( 1.053 0.000 -4.895) 5.007 2.792 ( 2.252 0.000 1.285) 2.593 2.901 ( -2.699 -0.000 0.168) 2.704 3.007 ( -6.462 -0.000 -1.226) 6.577 3.076 ( 5.996 0.000 1.490) 6.178 4.053 ( 1.833 0.000 5.666) 5.955 5.093 ( 1.986 0.000 0.783) 2.134 5.379 ( -3.337 -0.000 6.696) 7.482 6.048 ( 7.477 0.000 -8.826) 11.567 7.357 ( -14.018 -0.000 20.950) 25.207 8.950 ( 10.453 0.000 -11.956) 15.881 11.177 ( -24.805 -0.000 0.755) 24.816 11.668 ( 6.604 0.000 -2.982) 7.246 12.819 ( -5.374 -0.000 12.365) 13.482 13.616 ( -31.607 -0.000 -0.049) 31.607 16.505 ( -4.091 -0.000 11.681) 12.377 17.068 ( -2.312 -0.000 2.410) 3.340 17.663 ( 3.167 0.000 -2.315) 3.923 18.384 ( 10.199 0.000 -1.998) 10.393 ======================= Grid point 260 (126/250) ======================= q-point: ( 0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 2.561 3.270 -0.611) 4.198 1.559 ( -4.428 -2.763 -1.852) 5.538 1.681 ( 0.940 1.387 7.424) 7.611 1.786 ( 1.524 -0.647 4.859) 5.133 2.134 ( 0.029 -0.530 -2.732) 2.783 2.199 ( 2.248 0.201 2.704) 3.522 2.784 ( -3.653 3.809 -6.976) 8.747 2.808 ( 0.494 0.034 -0.623) 0.795 2.940 ( -5.289 -1.615 1.365) 5.696 3.211 ( 6.540 -1.254 3.697) 7.616 4.149 ( 3.204 -0.044 6.426) 7.180 5.130 ( 1.635 -0.609 0.697) 1.879 5.408 ( -2.199 -0.989 6.688) 7.109 6.067 ( 7.251 0.132 -9.409) 11.880 7.363 ( -14.097 -1.634 20.877) 25.243 8.982 ( 10.314 0.209 -12.574) 16.265 10.844 ( -28.364 1.355 11.324) 30.571 11.738 ( 6.289 0.574 -1.214) 6.431 12.850 ( -5.792 -0.236 10.630) 12.108 13.211 ( -23.215 3.654 2.437) 23.626 16.537 ( -6.515 -1.662 9.098) 11.313 17.070 ( -1.391 -0.186 3.121) 3.422 17.717 ( 5.656 -1.364 -1.858) 6.108 18.512 ( 10.194 -0.292 -2.124) 10.417 ======================= Grid point 261 (127/250) ======================= q-point: (-0.67 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.063 7.561 -0.920) 7.617 1.513 ( -5.270 -2.973 -2.968) 6.739 1.734 ( 0.119 3.579 8.362) 9.097 1.840 ( 1.107 -1.004 0.185) 1.506 2.149 ( -0.385 -2.142 4.397) 4.906 2.220 ( -1.081 0.445 1.056) 1.575 2.631 ( -0.511 4.484 -7.260) 8.549 2.814 ( -0.854 -0.257 1.540) 1.780 2.897 ( -4.673 -1.663 0.385) 4.975 3.339 ( 6.364 -0.739 1.693) 6.627 4.240 ( 2.206 0.704 5.032) 5.539 5.159 ( -0.093 -0.774 1.140) 1.381 5.460 ( -1.278 -1.151 6.492) 6.716 6.072 ( 6.747 0.179 -10.465) 12.453 7.383 ( -14.350 -2.722 20.658) 25.300 8.999 ( 10.102 0.818 -13.357) 16.767 10.605 ( -26.022 -0.292 22.948) 34.697 11.799 ( 5.627 1.829 -0.711) 5.959 12.856 ( -5.864 -0.576 7.325) 9.401 12.929 ( -14.812 2.723 1.725) 15.158 16.544 ( -9.979 -4.584 9.885) 14.775 17.087 ( -0.965 0.458 4.428) 4.555 17.801 ( 5.627 -1.665 -1.997) 6.199 18.631 ( 10.201 0.855 -2.147) 10.460 ======================= Grid point 262 (128/250) ======================= q-point: (-0.56 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -2.053 9.037 3.357) 9.856 1.385 ( -9.458 2.881 -3.095) 10.360 1.749 ( -0.037 4.734 5.902) 7.566 1.883 ( 1.783 -3.886 0.464) 4.301 2.164 ( -4.905 1.135 3.004) 5.863 2.268 ( 2.494 -2.207 5.793) 6.682 2.538 ( 2.425 2.665 -6.307) 7.263 2.767 ( -6.556 0.825 0.350) 6.617 2.903 ( 0.455 -1.885 2.214) 2.943 3.430 ( 5.144 0.450 -0.072) 5.164 4.274 ( -0.323 1.532 2.457) 2.913 5.165 ( -2.020 -0.530 1.679) 2.680 5.508 ( -1.687 -0.080 6.240) 6.465 6.060 ( 6.189 0.084 -11.452) 13.018 7.404 ( -14.601 -2.776 20.516) 25.334 8.993 ( 9.498 2.131 -14.147) 17.173 10.591 ( -17.652 -6.193 33.769) 38.605 11.831 ( 4.951 2.985 -1.728) 6.033 12.740 ( -10.450 1.475 0.523) 10.567 12.843 ( -5.318 -1.053 4.339) 6.943 16.566 ( -12.344 -8.290 12.027) 19.124 17.112 ( -0.885 0.998 5.615) 5.771 17.864 ( 3.912 -0.737 -2.501) 4.701 18.736 ( 10.081 1.738 -2.577) 10.549 ======================= Grid point 263 (129/250) ======================= q-point: (-0.44 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -0.361 8.074 7.774) 11.214 1.167 ( -11.942 5.946 3.651) 13.831 1.735 ( 1.026 4.671 2.901) 5.593 1.974 ( 0.588 -3.934 2.726) 4.822 2.109 ( -6.354 0.795 5.926) 8.725 2.334 ( 4.431 4.117 -3.090) 6.792 2.535 ( 1.347 -2.414 1.377) 3.089 2.658 ( -5.137 0.409 -2.885) 5.906 2.962 ( 0.891 -0.838 4.096) 4.275 3.462 ( 2.278 2.073 -1.129) 3.280 4.241 ( -2.670 1.926 0.027) 3.292 5.150 ( -3.145 -0.170 2.173) 3.826 5.520 ( -3.296 1.701 5.904) 6.972 6.036 ( 5.826 -0.103 -11.792) 13.153 7.419 ( -14.616 -1.886 20.676) 25.390 8.956 ( 8.789 3.536 -13.538) 16.523 10.893 ( -5.524 -15.088 36.779) 40.135 11.842 ( 4.983 2.363 -2.599) 6.097 12.604 ( -8.332 -0.201 0.926) 8.386 12.819 ( -5.062 -0.923 3.620) 6.291 16.625 ( -14.587 -11.929 14.105) 23.538 17.138 ( -1.155 1.314 6.238) 6.479 17.881 ( 2.154 0.710 -2.959) 3.728 18.808 ( 8.398 2.793 -4.987) 10.159 ======================= Grid point 264 (130/250) ======================= q-point: (-0.33 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -1.230 6.788 7.378) 10.101 1.057 ( -5.341 4.338 16.824) 18.177 1.725 ( 2.188 3.004 0.814) 3.804 2.012 ( -5.668 0.046 8.299) 10.050 2.079 ( -5.180 -0.846 3.129) 6.111 2.256 ( 3.659 7.113 -7.813) 11.182 2.573 ( -2.078 -0.136 -0.610) 2.170 2.633 ( 2.746 -3.228 0.652) 4.288 3.016 ( 0.786 0.429 4.528) 4.616 3.422 ( -1.405 3.046 -1.609) 3.720 4.166 ( -3.610 1.796 -1.117) 4.184 5.126 ( -3.260 0.255 2.384) 4.046 5.486 ( -4.717 3.036 5.784) 8.058 6.013 ( 5.847 -0.264 -11.336) 12.758 7.422 ( -14.434 -0.483 20.957) 25.452 8.914 ( 8.912 3.822 -12.077) 15.488 11.354 ( 2.431 -14.721 15.615) 21.598 11.907 ( 5.144 -4.572 -0.988) 6.952 12.600 ( -2.708 -8.377 13.183) 15.852 12.793 ( -5.121 -0.299 4.874) 7.076 16.698 ( -18.370 -14.389 15.402) 27.959 17.158 ( -1.762 1.518 6.153) 6.578 17.857 ( 0.873 1.828 -3.163) 3.756 18.782 ( 4.210 5.813 -9.807) 12.153 ======================= Grid point 265 (131/250) ======================= q-point: (-0.22 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -4.022 4.283 13.863) 15.057 1.171 ( 3.121 3.126 17.245) 17.802 1.740 ( 2.975 -0.195 -2.063) 3.625 1.980 ( -6.915 2.929 6.969) 10.245 2.007 ( -5.848 1.549 0.095) 6.050 2.177 ( 3.155 3.880 -2.380) 5.538 2.563 ( 2.055 0.053 -1.798) 2.731 2.710 ( 1.678 -1.540 2.450) 3.345 3.058 ( 1.362 1.359 3.703) 4.173 3.330 ( -4.422 2.236 -1.878) 5.299 4.087 ( -3.354 1.537 -0.763) 3.768 5.097 ( -2.640 0.974 2.131) 3.530 5.433 ( -4.888 2.943 6.050) 8.316 6.001 ( 6.283 -0.328 -10.399) 12.154 7.412 ( -14.238 0.868 21.089) 25.460 8.892 ( 9.316 3.114 -11.192) 14.892 11.528 ( 3.324 -4.014 -4.320) 6.770 11.933 ( -3.832 -4.380 -10.789) 12.258 12.765 ( -5.157 0.063 6.410) 8.227 13.132 ( 11.172 -30.659 24.775) 40.971 16.720 ( -24.842 -13.269 16.002) 32.392 17.161 ( -2.706 1.543 5.168) 6.034 17.806 ( -0.309 2.385 -3.118) 3.938 18.595 ( 0.487 11.481 -13.175) 17.482 ======================= Grid point 266 (132/250) ======================= q-point: (-0.11 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -2.673 2.279 15.616) 16.006 1.339 ( 4.215 2.334 14.447) 15.229 1.740 ( -0.805 -1.443 -5.747) 5.980 1.865 ( -1.305 4.280 -5.697) 7.245 1.963 ( -2.798 0.522 7.261) 7.798 2.191 ( 1.671 1.690 2.635) 3.548 2.599 ( 3.291 -1.787 0.326) 3.759 2.773 ( 2.139 1.121 5.496) 6.003 3.080 ( 1.721 1.606 -0.381) 2.384 3.222 ( -6.105 0.502 -1.374) 6.277 4.027 ( -2.461 1.297 0.694) 2.867 5.072 ( -1.226 1.382 1.766) 2.555 5.395 ( -4.366 1.961 6.297) 7.909 6.006 ( 6.888 -0.281 -9.462) 11.707 7.392 ( -14.118 1.596 21.046) 25.393 8.892 ( 9.725 1.818 -11.058) 14.838 11.558 ( 3.307 -2.512 -6.357) 7.594 11.768 ( -9.071 -1.801 -11.494) 14.752 12.760 ( -5.087 0.423 9.143) 10.472 13.820 ( 2.325 -32.793 6.020) 33.421 16.608 ( -27.993 -4.919 17.275) 33.260 17.136 ( -3.537 1.796 3.478) 5.276 17.737 ( -1.069 2.393 -2.984) 3.971 18.354 ( 4.121 12.061 -9.033) 15.623 ======================= Grid point 269 (133/250) ======================= q-point: ( 0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 5.867 0.000 -3.718) 6.946 1.439 ( -8.392 -0.000 0.923) 8.442 1.795 ( 2.472 0.000 8.350) 8.708 1.833 ( 0.986 0.000 1.565) 1.850 2.110 ( -1.696 -0.000 2.206) 2.782 2.225 ( -0.439 -0.000 -0.774) 0.889 2.693 ( -3.090 -0.000 -7.505) 8.116 2.806 ( 0.005 0.000 1.628) 1.628 2.876 ( -4.681 -0.000 1.640) 4.960 3.328 ( 6.464 0.000 3.011) 7.131 4.250 ( 2.778 0.000 5.167) 5.867 5.150 ( 0.879 0.000 0.289) 0.925 5.444 ( -0.768 -0.000 6.891) 6.933 6.074 ( 6.612 0.000 -10.448) 12.364 7.347 ( -13.904 -0.000 20.688) 24.926 9.010 ( 10.601 0.000 -13.376) 17.067 10.601 ( -27.997 -0.000 21.290) 35.173 11.821 ( 5.714 0.000 -0.139) 5.715 12.848 ( -6.222 -0.000 7.704) 9.903 12.965 ( -16.478 -0.000 0.534) 16.487 16.490 ( -9.733 -0.000 8.563) 12.963 17.095 ( -0.506 -0.000 4.849) 4.875 17.779 ( 6.642 0.000 -2.304) 7.030 18.641 ( 10.618 0.000 -1.790) 10.768 ======================= Grid point 270 (134/250) ======================= q-point: (-0.67 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.843 8.137 0.362) 8.189 1.385 ( -4.510 -3.571 0.175) 5.755 1.834 ( -0.076 0.425 -1.277) 1.348 1.867 ( 1.638 3.441 5.866) 6.995 2.148 ( -2.148 -2.350 4.367) 5.404 2.199 ( -1.350 -1.604 1.917) 2.841 2.591 ( -0.517 1.175 -6.734) 6.855 2.775 ( -7.089 0.041 0.593) 7.113 2.883 ( 1.569 -0.088 4.963) 5.206 3.435 ( 5.664 0.044 1.361) 5.826 4.303 ( 0.128 0.669 2.533) 2.623 5.157 ( -0.729 -0.159 0.878) 1.152 5.505 ( -0.073 -0.096 6.810) 6.812 6.060 ( 5.982 -0.011 -11.666) 13.110 7.354 ( -13.444 -1.110 20.833) 24.819 9.030 ( 10.721 0.788 -13.884) 17.559 10.488 ( -23.274 -2.100 30.967) 38.795 11.883 ( 4.695 1.081 -1.377) 5.011 12.766 ( -11.363 0.588 -1.192) 11.440 12.823 ( -5.822 -0.450 4.947) 7.653 16.441 ( -11.553 -2.281 10.826) 15.996 17.136 ( -0.502 0.696 6.316) 6.374 17.847 ( 5.749 -0.492 -3.043) 6.523 18.765 ( 10.102 0.595 -2.354) 10.390 ======================= Grid point 271 (135/250) ======================= q-point: (-0.56 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -1.239 8.241 7.135) 10.971 1.314 ( -4.094 5.028 -1.525) 6.661 1.828 ( 0.233 0.052 0.243) 0.341 1.906 ( 1.999 1.049 5.304) 5.764 2.107 ( -4.649 -0.079 -0.323) 4.661 2.317 ( 1.140 -4.646 7.551) 8.939 2.532 ( 2.182 1.350 -5.543) 6.109 2.657 ( -8.262 -0.052 -1.509) 8.399 2.963 ( 1.743 0.566 7.209) 7.438 3.499 ( 3.387 0.959 -0.449) 3.549 4.283 ( -2.694 1.308 0.031) 2.995 5.151 ( -2.075 0.082 1.966) 2.860 5.554 ( -1.212 1.036 6.475) 6.669 6.031 ( 5.700 -0.211 -12.394) 13.644 7.379 ( -12.950 -1.202 21.402) 25.044 9.031 ( 10.388 2.344 -13.772) 17.409 10.597 ( -15.350 -8.409 37.725) 41.587 11.895 ( 3.611 1.732 -4.557) 6.067 12.606 ( -8.830 0.202 -2.030) 9.063 12.796 ( -4.990 -0.758 4.362) 6.671 16.431 ( -12.181 -4.486 13.966) 19.067 17.175 ( -0.861 1.427 6.964) 7.160 17.889 ( 4.124 0.006 -3.560) 5.448 18.857 ( 8.518 1.251 -4.067) 9.521 ======================= Grid point 272 (136/250) ======================= q-point: (-0.44 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 4.264 9.383 2.588) 10.626 1.178 ( -6.641 5.688 11.139) 14.160 1.824 ( 0.561 3.335 1.736) 3.801 1.987 ( 1.097 -1.194 5.166) 5.414 2.042 ( -5.636 -1.536 0.195) 5.845 2.398 ( 1.341 3.170 -3.095) 4.629 2.504 ( -5.284 -3.682 4.006) 7.585 2.585 ( 2.622 -1.203 -3.104) 4.238 3.042 ( 1.287 1.332 7.640) 7.861 3.488 ( -0.389 2.149 -2.704) 3.476 4.210 ( -4.044 1.616 -0.885) 4.444 5.137 ( -2.474 0.547 2.996) 3.924 5.558 ( -3.233 2.629 6.117) 7.401 6.003 ( 5.836 -0.497 -12.139) 13.478 7.411 ( -12.727 -0.392 22.122) 25.525 9.012 ( 9.738 3.780 -12.568) 16.343 10.934 ( -7.791 -15.922 34.596) 38.873 11.869 ( 2.841 0.316 -7.242) 7.785 12.492 ( -7.099 -1.823 1.484) 7.478 12.784 ( -4.506 -0.390 5.689) 7.267 16.464 ( -12.522 -5.627 16.758) 21.663 17.202 ( -1.430 1.862 6.657) 7.059 17.895 ( 2.643 1.141 -3.692) 4.682 18.882 ( 5.400 2.623 -7.352) 9.491 ======================= Grid point 273 (137/250) ======================= q-point: (-0.33 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.818 8.027 6.457) 10.334 1.252 ( 3.279 3.282 14.143) 14.884 1.788 ( -1.404 3.768 1.175) 4.189 1.997 ( -3.825 -2.052 -0.984) 4.451 2.038 ( -2.275 1.257 7.668) 8.096 2.276 ( -1.475 3.912 -6.383) 7.630 2.535 ( 0.027 -2.720 -0.823) 2.842 2.667 ( 4.845 -1.475 2.901) 5.836 3.103 ( 1.052 2.020 6.523) 6.909 3.388 ( -4.333 2.332 -5.082) 7.074 4.129 ( -3.750 1.768 0.141) 4.149 5.125 ( -1.988 1.170 3.425) 4.129 5.518 ( -4.597 3.644 6.068) 8.440 5.988 ( 6.301 -0.703 -11.057) 12.745 7.435 ( -12.832 0.897 22.529) 25.943 8.984 ( 9.094 4.154 -11.296) 15.085 11.289 ( -5.152 -15.137 14.217) 21.396 11.833 ( -0.094 -2.484 -9.633) 9.949 12.569 ( -2.820 -12.379 16.313) 20.671 12.785 ( -4.336 0.056 8.193) 9.270 16.514 ( -13.216 -4.637 18.665) 23.335 17.208 ( -2.264 2.097 5.501) 6.307 17.869 ( 1.456 2.432 -3.486) 4.493 18.796 ( 1.671 5.484 -11.122) 12.513 ======================= Grid point 274 (138/250) ======================= q-point: (-0.22 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -1.365 5.203 11.226) 12.448 1.400 ( 5.360 2.248 11.117) 12.545 1.721 ( -4.326 0.727 -0.490) 4.414 1.950 ( -1.773 1.654 -2.367) 3.388 2.019 ( -5.088 3.615 7.597) 9.832 2.217 ( 3.937 0.344 -4.588) 6.055 2.559 ( 2.148 -1.675 -1.678) 3.200 2.779 ( 3.634 -0.285 5.547) 6.637 3.133 ( 1.290 2.398 1.129) 2.948 3.240 ( -6.560 0.895 -3.996) 7.733 4.069 ( -2.820 2.001 1.925) 3.957 5.115 ( -1.101 1.921 3.157) 3.855 5.464 ( -4.639 3.451 6.273) 8.532 5.993 ( 6.920 -0.724 -9.819) 12.034 7.441 ( -13.136 2.207 22.414) 26.074 8.958 ( 8.545 3.458 -10.786) 14.189 11.408 ( -7.182 -10.149 -0.611) 12.448 11.732 ( -2.392 -0.880 -11.363) 11.645 12.770 ( -4.474 -0.299 9.382) 10.398 13.021 ( -3.800 -26.296 22.595) 34.877 16.540 ( -13.248 -0.918 19.357) 23.474 17.186 ( -3.165 2.213 3.767) 5.395 17.814 ( 0.506 3.573 -3.048) 4.724 18.611 ( 0.832 8.154 -12.173) 14.675 ======================= Grid point 275 (139/250) ======================= q-point: (-0.11 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -1.657 2.314 10.124) 10.517 1.532 ( 4.624 1.931 7.759) 9.237 1.650 ( -5.046 -0.472 0.563) 5.099 1.856 ( -2.532 3.793 -2.819) 5.361 2.020 ( 0.153 0.979 6.716) 6.789 2.224 ( 3.877 0.649 -6.652) 7.726 2.635 ( 4.070 -2.730 2.899) 5.694 2.861 ( -0.092 -0.293 4.855) 4.864 3.064 ( -1.426 0.340 -7.967) 8.101 3.167 ( -1.998 2.220 2.492) 3.890 4.041 ( -1.285 1.874 3.883) 4.499 5.107 ( -0.021 2.164 2.600) 3.383 5.424 ( -3.911 2.642 6.341) 7.905 6.016 ( 7.417 -0.562 -9.039) 11.705 7.425 ( -13.552 3.030 21.909) 25.939 8.944 ( 8.687 1.944 -10.960) 14.120 11.341 ( -17.113 -8.349 -2.567) 19.213 11.643 ( 3.647 0.605 -7.763) 8.598 12.793 ( -4.574 0.746 10.965) 11.904 13.400 ( -15.898 -26.089 12.775) 33.115 16.533 ( -9.475 3.044 17.882) 20.465 17.138 ( -3.567 2.117 2.191) 4.691 17.747 ( 0.633 3.984 -2.610) 4.805 18.450 ( 4.508 6.810 -8.640) 11.889 ======================= Grid point 279 (140/250) ======================= q-point: ( 0.33 -0.67 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -9.495 -0.000 11.141) 14.638 1.366 ( 8.357 0.000 -5.888) 10.223 1.817 ( -0.377 -0.000 -1.996) 2.031 1.923 ( 0.467 0.000 -1.495) 1.566 2.177 ( -1.192 -0.000 3.560) 3.754 2.181 ( -2.307 -0.000 9.950) 10.213 2.549 ( 1.579 0.000 -4.682) 4.941 2.660 ( -8.735 -0.000 -1.200) 8.817 2.973 ( 1.884 0.000 7.927) 8.147 3.511 ( 3.838 0.000 -0.100) 3.839 4.300 ( -2.720 -0.000 -0.004) 2.720 5.152 ( -1.691 -0.000 1.887) 2.533 5.568 ( -0.277 -0.000 6.670) 6.675 6.028 ( 5.632 0.000 -12.622) 13.821 7.364 ( -12.251 -0.000 21.620) 24.850 9.062 ( 11.223 0.000 -13.814) 17.798 10.492 ( -18.692 -0.000 37.301) 41.722 11.918 ( 3.297 0.000 -5.023) 6.009 12.609 ( -8.912 -0.000 -2.910) 9.376 12.786 ( -4.969 -0.000 4.665) 6.815 16.379 ( -11.217 -0.000 13.697) 17.704 17.195 ( -0.930 -0.000 7.332) 7.391 17.888 ( 5.045 0.000 -3.953) 6.409 18.872 ( 8.431 0.000 -3.795) 9.246 ======================= Grid point 281 (141/250) ======================= q-point: (-0.56 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -5.141 2.650 13.878) 15.035 1.367 ( 5.195 6.569 -6.920) 10.864 1.815 ( 1.086 -2.333 -1.034) 2.774 1.927 ( -0.102 -2.702 -1.257) 2.982 2.125 ( -2.430 7.113 6.129) 9.698 2.314 ( -1.458 -6.956 7.675) 10.461 2.511 ( -7.991 1.394 -2.348) 8.444 2.563 ( 3.975 -0.448 -2.205) 4.568 3.068 ( 1.238 0.616 8.620) 8.730 3.525 ( 0.362 0.789 -3.002) 3.125 4.239 ( -4.291 0.651 -0.776) 4.409 5.147 ( -2.139 0.230 3.413) 4.035 5.606 ( -2.092 1.076 6.322) 6.746 5.992 ( 5.882 -0.252 -12.752) 14.046 7.403 ( -11.598 -0.170 22.686) 25.480 9.084 ( 11.023 1.692 -13.226) 17.300 10.655 ( -13.855 -5.973 39.030) 41.844 11.883 ( 2.180 0.448 -9.655) 9.908 12.470 ( -7.551 -0.313 -2.076) 7.837 12.776 ( -3.957 -0.187 6.372) 7.503 16.383 ( -9.611 -1.435 16.817) 19.423 17.239 ( -1.677 0.885 7.133) 7.381 17.912 ( 4.100 0.292 -4.212) 5.885 18.921 ( 5.596 0.737 -6.218) 8.398 ======================= Grid point 282 (142/250) ======================= q-point: (-0.44 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 0.706 8.350 0.270) 8.384 1.329 ( 2.204 2.983 10.139) 10.796 1.864 ( 1.602 -0.557 0.380) 1.738 1.914 ( -4.143 -2.364 -2.638) 5.451 2.090 ( 0.181 4.058 6.636) 7.781 2.351 ( -8.602 1.427 -1.974) 8.940 2.429 ( -0.306 -5.058 2.937) 5.857 2.646 ( 7.180 -0.355 1.367) 7.318 3.145 ( 0.625 1.253 7.700) 7.826 3.437 ( -4.187 1.485 -7.136) 8.406 4.167 ( -4.022 1.198 0.859) 4.284 5.150 ( -1.818 0.796 4.608) 5.017 5.597 ( -4.051 2.486 6.119) 7.748 5.970 ( 6.500 -0.609 -11.872) 13.548 7.452 ( -11.744 0.480 23.568) 26.336 9.082 ( 9.833 3.373 -12.074) 15.932 10.922 ( -12.034 -11.920 30.599) 34.975 11.806 ( 1.657 -0.309 -12.271) 12.386 12.401 ( -5.526 -3.080 5.135) 8.148 12.792 ( -3.531 0.280 8.228) 8.958 16.447 ( -7.597 -1.352 19.076) 20.578 17.255 ( -2.538 1.494 5.920) 6.612 17.917 ( 3.219 1.358 -3.822) 5.178 18.887 ( 2.026 2.179 -9.234) 9.701 ======================= Grid point 283 (143/250) ======================= q-point: (-0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.621 7.221 3.914) 8.237 1.443 ( 4.567 1.384 8.972) 10.162 1.781 ( -6.800 3.456 0.864) 7.676 1.930 ( 0.859 -2.954 -2.187) 3.774 2.113 ( -2.180 3.449 7.070) 8.163 2.222 ( -1.922 0.470 -3.952) 4.419 2.496 ( 0.772 -3.622 0.160) 3.707 2.775 ( 6.477 0.076 4.218) 7.730 3.187 ( 0.095 1.874 2.465) 3.098 3.262 ( -7.173 0.704 -7.449) 10.365 4.118 ( -3.083 1.809 3.157) 4.769 5.160 ( -1.072 1.615 4.884) 5.255 5.552 ( -5.065 3.332 6.175) 8.653 5.972 ( 7.169 -0.876 -10.479) 12.726 7.490 ( -12.301 1.628 23.867) 26.900 9.055 ( 8.162 4.056 -11.134) 14.389 11.102 ( -14.651 -12.800 13.894) 23.907 11.717 ( 1.413 -0.526 -12.655) 12.745 12.530 ( -3.614 -10.932 17.436) 20.894 12.818 ( -3.551 0.642 9.727) 10.375 16.541 ( -5.881 0.594 19.966) 20.823 17.238 ( -3.464 1.867 4.154) 5.722 17.898 ( 2.409 2.958 -2.984) 4.843 18.759 ( -0.641 4.067 -11.536) 12.248 ======================= Grid point 284 (144/250) ======================= q-point: (-0.22 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -2.195 4.701 5.171) 7.325 1.560 ( 4.016 0.499 3.805) 5.555 1.676 ( -5.104 2.603 4.995) 7.601 1.920 ( -2.338 0.747 -1.346) 2.799 2.072 ( -2.972 3.027 6.556) 7.808 2.217 ( 4.352 -1.038 -7.159) 8.442 2.569 ( 2.891 -2.910 2.435) 4.771 2.858 ( -0.810 0.380 1.239) 1.528 3.065 ( -2.001 -0.297 -8.996) 9.220 3.216 ( -0.906 1.633 3.278) 3.773 4.094 ( -2.023 2.210 4.827) 5.682 5.166 ( -0.528 2.462 4.338) 5.016 5.498 ( -4.726 3.136 6.288) 8.468 5.997 ( 7.652 -0.916 -9.387) 12.145 7.503 ( -12.994 2.961 23.391) 26.921 9.011 ( 7.054 3.415 -10.847) 13.382 11.093 ( -19.315 -10.936 5.466) 22.859 11.646 ( 3.452 -0.346 -10.078) 10.659 12.781 ( -5.207 -7.134 14.707) 17.156 12.888 ( -6.087 -8.842 15.199) 18.608 16.621 ( -4.747 3.807 19.117) 20.062 17.190 ( -4.157 2.030 2.432) 5.226 17.856 ( 1.713 4.583 -2.074) 5.314 18.590 ( 0.260 4.352 -11.138) 11.961 ======================= Grid point 285 (145/250) ======================= q-point: (-0.11 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -4.996 0.741 2.423) 5.602 1.591 ( -1.625 -0.634 3.098) 3.556 1.681 ( 1.098 2.720 4.098) 5.040 1.851 ( -2.716 3.316 2.017) 4.737 2.098 ( -0.194 0.537 7.150) 7.173 2.204 ( 4.100 -0.249 -9.437) 10.292 2.682 ( 1.952 -3.223 3.348) 5.040 2.762 ( -5.997 -3.328 -7.002) 9.801 3.041 ( 0.595 1.519 0.276) 1.654 3.215 ( 2.467 2.065 0.250) 3.227 4.101 ( -0.306 1.751 5.941) 6.201 5.164 ( -0.351 2.610 3.513) 4.391 5.463 ( -3.532 2.517 6.141) 7.518 6.031 ( 7.773 -0.729 -9.082) 11.976 7.483 ( -13.791 3.952 22.313) 26.527 8.978 ( 7.499 1.692 -11.180) 13.569 10.962 ( -23.644 -7.805 7.267) 25.937 11.645 ( 5.464 -1.219 -6.043) 8.237 12.842 ( -4.366 0.604 10.719) 11.590 13.057 ( -14.081 -14.255 12.829) 23.791 16.657 ( -4.680 6.172 16.190) 17.948 17.126 ( -4.009 1.726 1.633) 4.660 17.804 ( 2.131 4.917 -1.678) 5.616 18.492 ( 4.451 2.208 -7.580) 9.064 ======================= Grid point 290 (146/250) ======================= q-point: ( 0.44 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -1.493 -0.000 12.924) 13.010 1.413 ( 4.347 0.000 -8.217) 9.296 1.794 ( 1.528 0.000 -1.908) 2.444 1.911 ( -0.774 -0.000 0.967) 1.238 2.217 ( -1.730 -0.000 2.255) 2.842 2.268 ( -5.534 -0.000 9.293) 10.816 2.397 ( -5.111 -0.000 -1.787) 5.414 2.643 ( 7.528 0.000 1.228) 7.628 3.161 ( 0.402 0.000 8.045) 8.055 3.456 ( -4.145 -0.000 -7.822) 8.852 4.183 ( -4.118 -0.000 1.139) 4.273 5.161 ( -1.772 -0.000 5.091) 5.391 5.629 ( -3.839 -0.000 6.153) 7.253 5.962 ( 6.629 0.000 -12.261) 13.938 7.458 ( -11.355 -0.000 23.927) 26.484 9.128 ( 10.528 0.000 -12.750) 16.535 10.769 ( -14.064 -0.000 34.799) 37.534 11.803 ( 1.778 0.000 -13.366) 13.484 12.367 ( -6.001 -0.000 2.114) 6.363 12.796 ( -3.118 -0.000 8.431) 8.990 16.432 ( -5.993 -0.000 19.184) 20.098 17.274 ( -2.805 -0.000 6.103) 6.717 17.933 ( 4.028 0.000 -3.967) 5.653 18.913 ( 2.137 0.000 -8.595) 8.856 ======================= Grid point 292 (147/250) ======================= q-point: (-0.44 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 1.772 5.134 -2.854) 6.135 1.467 ( 3.035 0.322 9.396) 9.879 1.822 ( 0.529 -2.196 -2.382) 3.283 1.869 ( -3.569 0.687 -0.452) 3.663 2.183 ( -1.131 2.105 3.558) 4.286 2.244 ( -7.856 0.940 3.495) 8.650 2.397 ( 1.575 -3.506 0.928) 3.954 2.779 ( 8.198 0.134 3.573) 8.944 3.221 ( -0.525 0.766 5.235) 5.317 3.272 ( -8.029 0.175 -11.574) 14.087 4.151 ( -3.222 0.731 3.858) 5.079 5.189 ( -1.108 0.652 6.081) 6.216 5.612 ( -5.333 1.352 6.105) 8.218 5.956 ( 7.446 -0.396 -11.063) 13.342 7.517 ( -11.934 0.543 24.778) 27.508 9.136 ( 8.616 2.006 -12.135) 15.017 10.863 ( -16.817 -5.438 23.395) 29.321 11.706 ( 2.339 -0.279 -13.896) 14.094 12.373 ( -3.753 -2.725 11.448) 12.352 12.834 ( -2.851 0.411 9.272) 9.709 16.555 ( -2.582 0.388 20.320) 20.487 17.272 ( -3.828 0.719 4.396) 5.873 17.950 ( 3.858 1.141 -2.918) 4.970 18.822 ( -1.168 1.227 -10.759) 10.891 ======================= Grid point 293 (148/250) ======================= q-point: (-0.33 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -2.185 5.482 1.177) 6.017 1.582 ( 3.623 1.341 5.302) 6.560 1.744 ( -4.174 2.403 1.830) 5.152 1.885 ( 1.126 -2.993 -2.605) 4.124 2.152 ( -6.557 2.878 5.945) 9.307 2.190 ( 1.372 -0.838 -2.574) 3.035 2.488 ( 2.671 -3.291 3.136) 5.273 2.878 ( -0.355 0.945 -1.638) 1.924 3.052 ( -2.494 -0.590 -9.526) 9.864 3.246 ( -1.179 0.767 3.281) 3.570 4.141 ( -2.497 1.462 5.486) 6.202 5.219 ( -0.637 1.650 5.907) 6.166 5.566 ( -5.892 2.137 6.155) 8.784 5.975 ( 7.940 -0.734 -9.792) 12.628 7.561 ( -12.740 1.603 24.818) 27.942 9.098 ( 6.322 3.103 -11.662) 13.624 10.852 ( -20.061 -7.623 13.647) 25.433 11.631 ( 3.468 -0.678 -11.920) 12.433 12.530 ( -3.670 -7.262 18.204) 19.940 12.871 ( -2.973 0.858 9.215) 9.720 16.705 ( -0.455 2.656 20.016) 20.196 17.233 ( -4.560 1.280 2.719) 5.461 17.956 ( 3.347 3.126 -1.469) 4.810 18.667 ( -2.654 1.965 -11.735) 12.190 ======================= Grid point 294 (149/250) ======================= q-point: (-0.22 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -8.424 4.350 1.813) 9.653 1.601 ( -0.861 1.593 2.117) 2.785 1.742 ( 1.425 1.841 2.377) 3.327 1.897 ( -0.596 -0.039 1.183) 1.325 2.117 ( -4.296 0.826 8.033) 9.147 2.187 ( 3.799 -0.796 -8.160) 9.036 2.603 ( 1.477 -3.114 4.965) 6.044 2.694 ( -9.175 -1.994 -10.699) 14.234 3.075 ( 4.419 1.165 -0.346) 4.583 3.245 ( 0.843 0.535 0.259) 1.031 4.145 ( -1.596 1.689 6.058) 6.488 5.232 ( -1.030 2.652 4.936) 5.697 5.519 ( -5.028 1.907 6.095) 8.128 6.011 ( 7.987 -0.858 -9.159) 12.183 7.572 ( -13.660 3.008 23.718) 27.535 9.034 ( 5.374 2.560 -11.584) 13.024 10.767 ( -21.964 -7.223 13.148) 26.598 11.609 ( 4.786 -1.589 -8.451) 9.841 12.728 ( -6.634 -8.801 16.604) 19.929 12.898 ( -3.634 0.618 8.626) 9.380 16.821 ( -0.720 6.465 18.208) 19.336 17.168 ( -4.716 1.627 1.777) 5.296 17.932 ( 1.982 5.228 -0.767) 5.643 18.524 ( 0.153 0.435 -9.895) 9.906 ======================= Grid point 295 (150/250) ======================= q-point: (-0.11 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -10.246 0.445 1.970) 10.444 1.596 ( -1.846 -0.136 2.429) 3.054 1.711 ( -2.337 2.073 -2.433) 3.959 1.904 ( -0.197 2.167 3.800) 4.379 2.133 ( -3.919 -0.809 6.422) 7.567 2.187 ( 4.349 -0.693 -4.860) 6.559 2.523 ( -4.598 -4.150 -7.813) 9.970 2.729 ( 0.477 -3.365 5.286) 6.284 3.060 ( -1.048 3.055 -2.011) 3.805 3.283 ( 5.523 0.194 -1.241) 5.664 4.170 ( -0.263 0.867 5.825) 5.895 5.216 ( -1.977 2.707 3.880) 5.128 5.494 ( -3.439 1.425 5.743) 6.844 6.045 ( 7.631 -0.734 -9.425) 12.149 7.538 ( -14.736 4.117 21.899) 26.715 8.986 ( 6.514 0.724 -12.214) 13.862 10.678 ( -22.050 -4.282 19.417) 29.691 11.647 ( 5.481 -2.775 -4.858) 7.832 12.838 ( -8.971 -5.903 11.154) 15.483 12.908 ( -5.436 -0.433 7.132) 8.978 16.839 ( -4.336 10.204 15.149) 18.773 17.106 ( -3.724 1.315 2.117) 4.481 17.879 ( 1.512 4.666 -1.403) 5.102 18.502 ( 5.659 -1.528 -5.522) 8.053 ======================= Grid point 301 (151/250) ======================= q-point: (-0.44 -0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -2.382 -0.000 -0.415) 2.418 1.605 ( 4.760 0.000 7.055) 8.510 1.784 ( -5.444 -0.000 -1.414) 5.625 1.825 ( 3.668 0.000 -2.802) 4.616 2.179 ( -0.502 -0.000 -0.336) 0.604 2.192 ( -8.924 -0.000 6.036) 10.774 2.439 ( 4.123 0.000 3.414) 5.352 2.891 ( -0.066 -0.000 -2.589) 2.590 3.044 ( -2.956 -0.000 -9.673) 10.115 3.255 ( -1.372 -0.000 3.279) 3.555 4.160 ( -2.658 -0.000 5.700) 6.289 5.240 ( -0.637 -0.000 6.551) 6.582 5.594 ( -6.387 -0.000 6.070) 8.811 5.965 ( 8.068 0.000 -9.977) 12.831 7.580 ( -12.710 -0.000 25.431) 28.430 9.140 ( 6.221 0.000 -12.383) 13.857 10.753 ( -20.052 -0.000 16.940) 26.250 11.621 ( 3.492 0.000 -12.610) 13.085 12.442 ( -2.924 -0.000 16.882) 17.134 12.883 ( -2.624 -0.000 8.778) 9.161 16.739 ( 1.313 0.000 20.311) 20.353 17.249 ( -4.647 -0.000 2.829) 5.441 17.996 ( 4.283 0.000 -1.180) 4.442 18.690 ( -3.769 -0.000 -11.853) 12.437 ======================= Grid point 302 (152/250) ======================= q-point: (-0.33 -0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -9.675 3.411 3.003) 10.689 1.665 ( 0.600 3.118 0.448) 3.207 1.750 ( 0.578 -1.450 0.380) 1.606 1.870 ( 4.101 -1.097 -1.885) 4.644 2.126 ( -8.725 -0.072 7.863) 11.745 2.176 ( 2.182 -0.098 -3.288) 3.947 2.541 ( 2.151 -1.493 6.242) 6.769 2.664 ( -11.306 -0.550 -13.335) 17.492 3.095 ( 7.211 0.390 -0.506) 7.240 3.250 ( -1.244 0.018 0.414) 1.311 4.176 ( -2.243 0.685 6.067) 6.504 5.282 ( -0.853 1.162 5.760) 5.938 5.552 ( -6.640 0.692 6.006) 8.980 5.994 ( 8.084 -0.390 -9.130) 12.200 7.623 ( -13.600 1.053 24.872) 28.368 9.086 ( 3.998 1.294 -12.568) 13.252 10.637 ( -20.498 -2.865 17.013) 26.792 11.577 ( 4.434 -0.760 -9.943) 10.913 12.577 ( -4.140 -3.154 17.337) 18.101 12.917 ( -2.782 0.512 7.438) 7.958 16.941 ( 3.347 2.726 19.001) 19.485 17.199 ( -4.835 0.703 1.932) 5.254 18.039 ( 3.890 2.765 0.749) 4.831 18.520 ( -4.177 -0.451 -11.740) 12.469 ======================= Grid point 303 (153/250) ======================= q-point: (-0.22 -0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -13.843 4.886 4.957) 15.495 1.619 ( -2.005 1.742 -1.316) 2.964 1.749 ( -1.859 0.962 -2.401) 3.185 1.903 ( 0.170 -2.008 -1.513) 2.520 2.103 ( -7.563 -1.594 9.085) 11.928 2.179 ( 4.234 0.228 -5.389) 6.857 2.459 ( -4.417 -1.169 -6.238) 7.733 2.646 ( -0.484 -2.882 7.098) 7.676 3.132 ( 2.024 2.718 -2.779) 4.383 3.264 ( 3.748 -1.611 -1.807) 4.462 4.191 ( -1.724 0.741 5.394) 5.711 5.285 ( -2.380 2.511 4.472) 5.654 5.514 ( -5.416 0.187 5.712) 7.874 6.028 ( 7.621 -0.606 -9.040) 11.839 7.623 ( -14.736 2.523 22.762) 27.233 9.006 ( 3.721 0.788 -12.844) 13.395 10.589 ( -17.804 -2.669 24.105) 30.085 11.583 ( 5.000 -2.136 -6.983) 8.850 12.695 ( -6.497 -4.397 13.477) 15.594 12.927 ( -3.317 0.850 5.789) 6.726 17.083 ( 2.050 8.215 16.469) 18.518 17.139 ( -4.275 1.226 2.084) 4.912 18.016 ( 0.146 6.520 -0.460) 6.537 18.432 ( 1.737 -4.275 -7.248) 8.592 ======================= Grid point 304 (154/250) ======================= q-point: (-0.11 -0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -13.364 2.463 7.196) 15.377 1.509 ( -11.605 -1.120 -4.378) 12.454 1.655 ( -1.584 0.744 -2.979) 3.455 1.938 ( 1.059 -1.696 2.285) 3.036 2.100 ( -6.824 -1.646 7.334) 10.152 2.204 ( 4.430 -1.174 -3.683) 5.880 2.442 ( 2.243 -0.591 0.431) 2.360 2.719 ( -3.143 -3.408 5.160) 6.937 3.064 ( -0.239 4.120 -3.903) 5.680 3.335 ( 5.526 -1.858 -2.807) 6.471 4.211 ( -1.123 -0.192 4.074) 4.230 5.242 ( -3.908 2.610 3.477) 5.846 5.501 ( -4.017 -0.340 5.226) 6.600 6.051 ( 6.960 -0.583 -9.783) 12.020 7.567 ( -15.968 3.567 20.462) 26.199 8.948 ( 5.382 -0.973 -13.636) 14.692 10.652 ( -12.153 1.678 33.225) 35.417 11.641 ( 5.350 -3.747 -4.252) 7.794 12.739 ( -8.406 -3.504 8.054) 12.157 12.910 ( -4.082 1.013 4.290) 6.007 17.060 ( -4.935 12.817 12.510) 18.578 17.104 ( -2.129 3.067 4.308) 5.701 17.920 ( -0.772 3.761 -2.340) 4.496 18.522 ( 7.920 -4.485 -2.548) 9.452 ======================= Grid point 311 (155/250) ======================= q-point: (-0.33 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -14.379 -0.000 6.116) 15.625 1.651 ( -4.522 -0.000 -3.566) 5.759 1.760 ( 3.311 0.000 0.263) 3.321 1.862 ( -2.043 -0.000 -7.515) 7.788 2.076 ( -8.731 -0.000 9.601) 12.977 2.185 ( 3.033 0.000 -3.230) 4.431 2.448 ( -3.238 -0.000 -6.001) 6.819 2.608 ( -1.168 -0.000 7.973) 8.058 3.181 ( 6.620 0.000 -3.356) 7.422 3.227 ( -0.748 -0.000 -1.373) 1.564 4.201 ( -2.218 -0.000 5.194) 5.648 5.320 ( -1.762 -0.000 4.483) 4.816 5.513 ( -6.972 -0.000 5.823) 9.083 6.019 ( 7.568 0.000 -8.804) 11.610 7.655 ( -14.638 -0.000 23.194) 27.427 9.017 ( 2.410 0.000 -13.218) 13.436 10.555 ( -15.940 -0.000 25.971) 30.472 11.555 ( 4.766 0.000 -7.860) 9.192 12.639 ( -5.357 -0.000 14.249) 15.223 12.939 ( -3.037 -0.000 5.240) 6.057 17.156 ( -4.422 -0.000 2.124) 4.905 17.190 ( 5.695 0.000 16.365) 17.327 18.144 ( 4.748 0.000 3.958) 6.181 18.336 ( -4.953 -0.000 -11.536) 12.555 ======================= Grid point 312 (156/250) ======================= q-point: (-0.22 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -15.578 3.678 9.026) 18.376 1.484 ( -15.138 -0.715 -4.999) 15.958 1.699 ( -1.473 2.366 -7.193) 7.714 1.843 ( 2.256 -4.082 -0.232) 4.670 2.064 ( -8.000 -1.336 9.922) 12.815 2.196 ( 3.164 0.272 -3.497) 4.724 2.450 ( 4.212 0.619 1.389) 4.478 2.647 ( -4.384 -1.873 6.475) 8.041 3.165 ( 1.708 4.124 -3.720) 5.811 3.264 ( 3.964 -3.679 -3.494) 6.439 4.210 ( -2.220 0.007 3.573) 4.207 5.305 ( -3.777 1.961 3.174) 5.309 5.478 ( -6.056 -1.077 5.450) 8.218 6.040 ( 6.785 -0.278 -9.186) 11.423 7.632 ( -16.017 1.449 20.263) 25.870 8.930 ( 2.972 -0.404 -13.494) 13.824 10.690 ( -5.631 1.002 37.567) 38.000 11.567 ( 4.836 -1.761 -6.180) 8.042 12.677 ( -6.679 -1.386 9.920) 12.039 12.928 ( -3.698 0.399 3.368) 5.018 17.119 ( -3.692 0.629 3.215) 4.936 17.363 ( 4.922 6.771 12.009) 14.639 18.080 ( -2.773 9.401 -4.085) 10.619 18.355 ( 4.970 -9.017 0.185) 10.297 ======================= Grid point 313 (157/250) ======================= q-point: (-0.11 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -13.745 3.575 12.094) 18.654 1.216 ( -19.096 -2.898 -1.804) 19.399 1.642 ( 2.466 0.991 -3.791) 4.630 1.942 ( 2.041 -4.990 3.031) 6.185 2.053 ( -8.582 -1.414 9.103) 12.590 2.201 ( 2.155 -0.562 -3.996) 4.575 2.527 ( 3.882 1.365 4.638) 6.200 2.651 ( -4.489 -3.171 1.267) 5.640 3.089 ( 0.431 4.859 -3.547) 6.031 3.334 ( 3.171 -3.878 -2.572) 5.631 4.208 ( -2.211 -0.775 1.718) 2.905 5.237 ( -5.161 2.402 2.567) 6.245 5.468 ( -5.153 -1.924 5.004) 7.436 6.045 ( 6.166 -0.361 -10.145) 11.877 7.553 ( -16.958 2.302 18.721) 25.364 8.875 ( 5.187 -1.772 -13.611) 14.673 11.018 ( 6.377 8.624 40.841) 42.226 11.631 ( 5.967 -4.365 -3.245) 8.074 12.667 ( -7.225 -0.894 6.438) 9.718 12.890 ( -4.536 0.580 2.409) 5.168 17.102 ( -2.837 0.636 4.810) 5.621 17.335 ( -2.312 17.716 8.995) 20.003 17.916 ( -2.156 3.940 -3.414) 5.642 18.555 ( 8.185 -6.902 -0.756) 10.733 ======================= Grid point 321 (158/250) ======================= q-point: (-0.22 -0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -15.233 -0.000 11.874) 19.314 1.173 ( -20.873 -0.000 -1.237) 20.909 1.671 ( 3.228 0.000 -4.551) 5.580 1.857 ( 3.218 0.000 -0.766) 3.308 2.024 ( -10.511 -0.000 11.712) 15.737 2.203 ( 1.221 0.000 -2.371) 2.667 2.552 ( 5.655 0.000 3.081) 6.439 2.600 ( -6.297 -0.000 2.937) 6.948 3.197 ( 2.202 0.000 -8.511) 8.791 3.237 ( 1.233 0.000 2.036) 2.380 4.198 ( -2.607 -0.000 1.494) 3.005 5.279 ( -5.261 -0.000 1.799) 5.560 5.433 ( -6.029 -0.000 5.561) 8.202 6.040 ( 6.042 0.000 -9.787) 11.502 7.583 ( -17.156 -0.000 18.099) 24.938 8.852 ( 4.320 0.000 -13.247) 13.933 11.144 ( 14.203 0.000 44.278) 46.501 11.563 ( 4.532 0.000 -6.265) 7.733 12.657 ( -6.274 -0.000 7.939) 10.119 12.897 ( -4.462 -0.000 1.981) 4.881 17.110 ( -3.211 -0.000 4.510) 5.536 17.565 ( 5.580 0.000 4.919) 7.439 18.059 ( -0.817 -0.000 -8.505) 8.544 18.396 ( 4.174 0.000 6.333) 7.585 ======================= Grid point 322 (159/250) ======================= q-point: (-0.11 -0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -12.566 1.583 14.334) 19.128 0.956 ( -16.552 -2.142 10.015) 19.464 1.686 ( 6.876 2.307 -5.356) 9.016 1.926 ( 3.361 -5.294 -1.090) 6.365 1.994 ( -12.758 -1.237 15.910) 20.431 2.177 ( -1.869 0.250 -2.341) 3.006 2.546 ( -4.016 -1.879 -0.160) 4.437 2.650 ( 4.376 0.756 3.293) 5.529 3.104 ( -0.534 3.425 -5.960) 6.894 3.301 ( 0.205 -3.431 1.883) 3.919 4.169 ( -2.843 -0.587 -0.354) 2.924 5.202 ( -5.993 1.271 1.467) 6.299 5.416 ( -5.397 -1.648 5.441) 7.839 6.030 ( 5.782 -0.149 -10.497) 11.985 7.501 ( -17.179 0.803 18.156) 25.008 8.817 ( 6.798 -1.169 -12.696) 14.449 11.541 ( 6.558 4.429 -1.309) 8.021 11.803 ( 24.263 1.343 22.127) 32.865 12.688 ( 0.804 2.123 15.114) 15.283 12.846 ( -5.211 0.149 2.101) 5.620 17.113 ( -2.949 0.014 5.500) 6.241 17.574 ( 0.730 13.080 1.144) 13.150 17.921 ( -1.658 8.071 -3.874) 9.105 18.514 ( 0.602 -9.559 -4.267) 10.485 ======================= Grid point 331 (160/250) ======================= q-point: (-0.11 -0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -10.591 -0.000 15.896) 19.101 0.931 ( -6.193 -0.000 20.620) 21.530 1.755 ( 11.579 0.000 -13.812) 18.023 1.912 ( 2.196 0.000 -1.083) 2.449 1.988 ( -13.347 -0.000 25.200) 28.517 2.092 ( -6.921 -0.000 -2.875) 7.495 2.505 ( 0.693 0.000 -0.115) 0.703 2.728 ( 2.010 0.000 1.508) 2.513 3.055 ( -0.672 -0.000 -4.622) 4.670 3.298 ( -2.046 -0.000 3.643) 4.178 4.114 ( -3.078 -0.000 -1.601) 3.469 5.135 ( -5.727 -0.000 1.055) 5.823 5.387 ( -4.829 -0.000 5.811) 7.555 6.014 ( 5.952 0.000 -10.539) 12.104 7.439 ( -16.469 -0.000 18.875) 25.050 8.806 ( 8.759 0.000 -11.918) 14.790 11.566 ( 4.779 0.000 -7.340) 8.758 12.116 ( 5.699 0.000 -7.555) 9.464 12.795 ( -5.624 -0.000 3.459) 6.602 13.215 ( 37.631 0.000 25.717) 45.579 17.120 ( -3.347 -0.000 5.617) 6.538 17.643 ( -0.979 -0.000 -6.119) 6.197 18.004 ( 5.407 0.000 -4.763) 7.206 18.186 ( -24.602 -0.000 -8.893) 26.160 ======================= Grid point 332 (161/250) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -3.605 -0.000 7.053) 7.921 1.468 ( 10.102 0.000 -4.676) 11.132 1.659 ( 0.316 0.000 3.673) 3.687 1.703 ( -3.299 -0.000 -0.798) 3.394 2.035 ( 2.275 0.000 3.518) 4.190 2.209 ( -3.740 -0.000 -2.000) 4.241 2.685 ( 5.253 0.000 2.055) 5.641 2.900 ( 2.887 0.000 9.571) 9.997 2.983 ( 0.037 0.000 -6.969) 6.969 3.204 ( -7.228 -0.000 -1.099) 7.311 4.163 ( -7.986 -0.000 14.562) 16.608 5.013 ( 3.531 0.000 -6.036) 6.993 5.498 ( -4.288 -0.000 6.649) 7.912 5.846 ( 5.815 0.000 -7.040) 9.131 7.756 ( -13.039 -0.000 18.868) 22.935 8.638 ( 10.744 0.000 -12.448) 16.444 11.491 ( 5.555 0.000 -2.613) 6.139 11.614 ( -9.597 -0.000 -6.925) 11.834 12.973 ( -3.660 -0.000 13.426) 13.916 14.015 ( 7.116 0.000 -17.232) 18.644 16.947 ( -24.015 -0.000 11.296) 26.539 17.165 ( -4.244 -0.000 2.135) 4.751 17.677 ( -6.010 -0.000 0.139) 6.011 18.058 ( 12.876 0.000 -7.016) 14.664 ======================= Grid point 333 (162/250) ======================= q-point: ( 0.11 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -1.604 -0.426 0.630) 1.775 1.584 ( 9.575 -1.988 -4.353) 10.704 1.672 ( -1.307 -1.192 0.518) 1.844 1.698 ( -1.390 -0.878 4.802) 5.076 2.112 ( 3.496 0.106 3.860) 5.209 2.149 ( -2.055 0.703 -1.037) 2.406 2.749 ( 3.702 1.666 1.266) 4.252 2.871 ( -3.056 2.270 -8.992) 9.765 3.049 ( 3.745 -0.413 7.373) 8.280 3.110 ( -5.086 -2.242 -0.777) 5.612 4.207 ( -6.263 -0.764 15.472) 16.709 5.027 ( 5.298 -1.275 -6.250) 8.292 5.507 ( -3.969 -0.924 6.696) 7.839 5.864 ( 6.109 0.043 -7.291) 9.512 7.759 ( -12.684 -1.541 18.826) 22.753 8.676 ( 10.547 -0.732 -12.999) 16.756 11.400 ( -12.532 1.975 -2.507) 12.932 11.557 ( 6.179 0.382 -1.027) 6.275 13.038 ( -5.721 0.405 14.737) 15.814 13.772 ( -10.199 7.228 -14.913) 19.459 16.823 ( -14.707 -1.502 17.295) 22.752 17.137 ( -3.196 -0.882 2.023) 3.884 17.635 ( -1.095 -1.775 -0.924) 2.281 18.192 ( 12.732 -2.014 -6.759) 14.554 ======================= Grid point 334 (163/250) ======================= q-point: ( 0.22 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -1.987 0.025 -0.839) 2.157 1.637 ( -2.594 -1.286 0.907) 3.034 1.714 ( 5.323 -2.488 -3.031) 6.612 1.757 ( 1.461 -0.265 4.873) 5.094 2.122 ( 0.886 0.752 -0.467) 1.252 2.188 ( 3.047 -0.093 2.145) 3.728 2.679 ( -4.195 4.791 -9.878) 11.753 2.789 ( 2.304 0.741 2.015) 3.149 3.040 ( -4.917 -1.915 -0.739) 5.328 3.200 ( 4.340 -0.903 5.666) 7.194 4.280 ( -4.790 -0.654 14.506) 15.291 5.072 ( 6.090 -2.432 -6.588) 9.295 5.532 ( -3.313 -1.501 6.406) 7.367 5.879 ( 5.865 0.049 -7.599) 9.599 7.783 ( -12.622 -3.096 18.395) 22.523 8.707 ( 9.881 -0.763 -13.478) 16.730 11.185 ( -14.390 2.616 4.091) 15.187 11.630 ( 6.437 1.729 0.162) 6.667 13.060 ( -7.649 0.973 12.029) 14.289 13.391 ( -14.727 6.943 -7.363) 17.869 16.843 ( -11.154 -4.211 16.768) 20.574 17.134 ( -2.176 -0.794 3.016) 3.803 17.669 ( 2.428 -3.433 -1.108) 4.348 18.325 ( 11.957 -0.863 -5.787) 13.312 ======================= Grid point 335 (164/250) ======================= q-point: (-0.67 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -4.206 1.028 2.078) 4.802 1.606 ( -5.304 -0.995 0.535) 5.423 1.772 ( 0.406 1.692 4.813) 5.118 1.809 ( 2.729 -1.934 -1.966) 3.880 2.141 ( 4.942 1.582 -3.380) 6.193 2.231 ( 1.099 -0.639 0.184) 1.285 2.499 ( -1.668 3.970 -5.638) 7.095 2.840 ( 0.908 0.074 4.125) 4.224 2.981 ( -4.586 -1.819 -2.160) 5.386 3.308 ( 3.586 0.169 4.951) 6.116 4.342 ( -4.539 0.223 12.116) 12.940 5.125 ( 5.395 -2.753 -6.907) 9.186 5.565 ( -2.426 -1.248 5.584) 6.215 5.887 ( 5.030 -0.161 -7.568) 9.089 7.814 ( -12.979 -3.881 17.663) 22.260 8.719 ( 8.962 -0.119 -13.936) 16.569 11.043 ( -12.286 0.960 12.112) 17.279 11.689 ( 5.637 3.269 0.582) 6.542 13.024 ( -7.649 1.008 6.350) 9.992 13.088 ( -12.938 3.859 -2.063) 13.658 16.906 ( -11.145 -7.271 15.233) 20.227 17.148 ( -1.437 -0.002 4.383) 4.613 17.748 ( 3.534 -3.617 -1.579) 5.297 18.442 ( 11.058 0.747 -3.736) 11.696 ======================= Grid point 336 (165/250) ======================= q-point: (-0.56 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -6.371 0.790 6.807) 9.357 1.507 ( -10.269 1.107 1.843) 10.491 1.745 ( -1.936 5.849 3.436) 7.055 1.887 ( 4.522 -4.038 -0.705) 6.104 2.124 ( 6.694 4.308 -8.858) 11.909 2.250 ( -0.274 -0.650 0.402) 0.812 2.466 ( 2.045 -0.978 0.753) 2.388 2.822 ( -4.601 1.669 -1.451) 5.106 2.974 ( -1.110 -2.508 4.604) 5.359 3.384 ( 2.749 1.292 3.803) 4.867 4.362 ( -5.694 1.220 9.564) 11.197 5.156 ( 3.739 -2.230 -7.119) 8.344 5.591 ( -1.805 -0.066 4.322) 4.684 5.885 ( 3.716 -0.489 -6.974) 7.918 7.836 ( -13.469 -3.575 17.094) 22.055 8.702 ( 8.031 1.178 -14.184) 16.342 11.070 ( -5.164 -3.371 17.953) 18.982 11.714 ( 4.376 4.263 0.278) 6.115 12.884 ( -10.594 1.227 0.278) 10.668 12.960 ( -5.759 0.430 2.204) 6.181 16.992 ( -10.914 -10.519 13.337) 20.190 17.173 ( -0.920 0.499 5.324) 5.426 17.809 ( 2.510 -2.059 -2.581) 4.148 18.546 ( 9.817 1.790 -2.288) 10.237 ======================= Grid point 337 (166/250) ======================= q-point: (-0.44 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -7.100 -0.470 10.376) 12.582 1.359 ( -12.320 2.488 7.629) 14.703 1.674 ( 0.927 6.638 0.623) 6.731 1.994 ( 5.257 -1.188 -0.125) 5.392 2.081 ( 6.045 3.921 -8.278) 10.975 2.243 ( -3.617 -2.251 0.658) 4.311 2.547 ( 3.585 -2.388 1.413) 4.534 2.699 ( -5.429 1.903 -2.928) 6.455 3.038 ( -1.665 -1.131 6.893) 7.181 3.420 ( 1.217 2.136 2.658) 3.620 4.331 ( -7.482 1.828 8.107) 11.183 5.155 ( 2.289 -1.435 -7.065) 7.563 5.592 ( -2.182 1.387 3.632) 4.459 5.874 ( 2.578 -0.515 -6.473) 6.987 7.840 ( -13.731 -2.366 17.113) 22.067 8.660 ( 7.806 2.420 -13.639) 15.900 11.283 ( 2.889 -6.757 13.331) 15.222 11.736 ( 5.469 2.316 1.479) 6.120 12.769 ( -7.960 -1.363 4.291) 9.145 12.907 ( -3.218 0.016 0.692) 3.292 17.105 ( -10.002 -13.325 10.583) 19.738 17.204 ( -0.956 0.640 5.507) 5.626 17.820 ( 1.321 -0.144 -3.341) 3.596 18.612 ( 6.884 2.926 -3.666) 8.330 ======================= Grid point 338 (167/250) ======================= q-point: (-0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -6.551 -1.179 11.460) 13.253 1.284 ( -8.564 2.145 15.128) 17.516 1.626 ( 4.040 6.127 -1.365) 7.465 1.975 ( 5.046 7.332 -8.395) 12.236 2.097 ( 0.801 -2.343 -1.079) 2.701 2.229 ( -4.785 -3.550 2.226) 6.360 2.563 ( -2.279 1.273 -2.544) 3.645 2.664 ( 2.151 -1.708 2.273) 3.565 3.069 ( -1.996 0.854 4.937) 5.394 3.415 ( -1.395 1.898 1.988) 3.082 4.268 ( -8.764 1.854 8.451) 12.315 5.129 ( 1.433 -0.594 -6.896) 7.068 5.565 ( -3.439 2.265 4.410) 6.034 5.853 ( 2.618 -0.251 -6.655) 7.156 7.826 ( -13.736 -0.807 17.615) 22.352 8.620 ( 8.608 2.841 -12.643) 15.557 11.434 ( 2.738 -1.832 -1.734) 3.723 11.871 ( 7.458 -4.013 -0.563) 8.488 12.839 ( 2.054 -5.784 9.297) 11.140 12.894 ( -0.049 -1.774 5.998) 6.255 17.216 ( -7.339 -8.241 5.862) 12.496 17.237 ( -3.820 -5.929 5.894) 9.192 17.797 ( 0.749 0.689 -3.516) 3.660 18.568 ( 0.876 5.811 -7.735) 9.714 ======================= Grid point 339 (168/250) ======================= q-point: (-0.22 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -5.558 -1.276 11.665) 12.985 1.330 ( -3.320 2.039 16.389) 16.846 1.603 ( 6.622 6.143 -3.549) 9.705 1.874 ( 1.556 3.696 -7.511) 8.515 2.063 ( -3.766 0.539 -2.439) 4.519 2.259 ( -3.203 -4.130 4.470) 6.877 2.522 ( 1.189 0.367 -1.289) 1.791 2.735 ( 1.340 -0.505 4.091) 4.335 3.059 ( -0.601 1.823 1.048) 2.186 3.375 ( -4.199 0.790 1.498) 4.527 4.205 ( -9.237 1.542 10.158) 13.816 5.085 ( 1.093 0.310 -6.646) 6.743 5.529 ( -4.316 2.017 5.715) 7.440 5.836 ( 3.777 -0.064 -6.946) 7.907 7.802 ( -13.616 0.411 18.197) 22.731 8.602 ( 9.668 2.380 -12.023) 15.610 11.443 ( 3.086 -0.193 -5.198) 6.048 11.908 ( -1.253 -2.691 -8.721) 9.213 12.875 ( -2.061 0.148 5.150) 5.549 13.319 ( 22.191 -13.695 10.209) 28.004 17.223 ( -4.492 -0.891 4.287) 6.273 17.308 ( -10.394 -12.015 1.753) 15.983 17.774 ( 0.031 -1.000 -2.378) 2.580 18.339 ( -5.691 11.494 -10.341) 16.475 ======================= Grid point 340 (169/250) ======================= q-point: (-0.11 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -5.141 -0.795 11.735) 12.836 1.399 ( 3.855 3.093 4.100) 6.422 1.611 ( 5.071 3.129 0.821) 6.015 1.785 ( -2.637 0.548 -5.460) 6.089 2.003 ( -1.022 0.674 1.068) 1.624 2.270 ( -4.198 -1.770 0.156) 4.558 2.576 ( 4.867 -1.767 1.573) 5.412 2.799 ( 1.335 1.100 7.567) 7.762 3.031 ( 0.355 0.856 -3.228) 3.359 3.305 ( -6.162 0.194 0.249) 6.170 4.164 ( -9.041 0.945 12.441) 15.408 5.038 ( 1.781 0.670 -6.227) 6.511 5.505 ( -4.402 1.022 6.404) 7.838 5.834 ( 5.018 -0.012 -6.978) 8.595 7.774 ( -13.392 0.749 18.633) 22.959 8.610 ( 10.416 1.253 -12.025) 15.958 11.452 ( 4.374 -0.277 -4.421) 6.225 11.791 ( -6.260 -1.342 -9.156) 11.172 12.909 ( -2.538 0.075 9.504) 9.837 13.837 ( 23.319 -10.119 -5.774) 26.067 17.188 ( -12.853 -4.080 2.642) 13.741 17.227 ( -12.932 -1.757 1.138) 13.100 17.766 ( -6.837 -3.406 0.908) 7.692 18.046 ( 3.985 11.653 -8.661) 15.056 ======================= Grid point 342 (170/250) ======================= q-point: ( 0.11 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.118 0.000 -3.307) 3.491 1.619 ( -3.993 -0.000 1.557) 4.286 1.681 ( 9.733 0.000 -5.248) 11.058 1.755 ( 1.148 0.000 7.502) 7.589 2.129 ( -0.793 -0.000 0.236) 0.828 2.188 ( 2.748 0.000 2.043) 3.424 2.756 ( -2.971 -0.000 -10.705) 11.110 2.792 ( 0.902 0.000 0.697) 1.140 3.010 ( -4.875 -0.000 0.008) 4.875 3.186 ( 4.814 0.000 7.048) 8.535 4.272 ( -4.158 -0.000 14.950) 15.518 5.040 ( 6.318 0.000 -6.908) 9.362 5.512 ( -3.266 -0.000 6.772) 7.518 5.880 ( 6.125 0.000 -8.105) 10.159 7.743 ( -12.703 -0.000 18.438) 22.391 8.699 ( 10.705 0.000 -13.680) 17.371 11.218 ( -15.061 -0.000 3.147) 15.386 11.651 ( 6.454 0.000 0.978) 6.528 13.074 ( -8.508 -0.000 13.518) 15.972 13.484 ( -16.805 -0.000 -11.552) 20.393 16.790 ( -11.777 -0.000 16.602) 20.355 17.124 ( -1.456 -0.000 3.550) 3.837 17.625 ( 2.917 0.000 -1.524) 3.291 18.313 ( 13.209 0.000 -5.014) 14.129 ======================= Grid point 343 (171/250) ======================= q-point: ( 0.22 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 2.423 1.221 -3.254) 4.237 1.578 ( -5.540 -0.959 3.289) 6.513 1.758 ( 6.343 -0.108 -3.800) 7.395 1.837 ( 1.387 0.943 6.074) 6.301 2.139 ( 1.902 -0.537 -0.393) 2.015 2.219 ( 0.574 -0.419 -0.059) 0.713 2.599 ( -2.112 2.951 -10.188) 10.815 2.828 ( 1.095 -0.651 4.038) 4.234 2.951 ( -4.337 -0.628 -1.217) 4.548 3.309 ( 3.967 -0.052 5.967) 7.166 4.350 ( -3.447 0.243 12.893) 13.349 5.073 ( 6.439 -1.248 -7.402) 9.889 5.541 ( -2.103 -0.588 6.689) 7.036 5.884 ( 5.530 -0.038 -8.809) 10.401 7.743 ( -12.632 -1.601 18.008) 22.055 8.719 ( 10.478 0.049 -14.094) 17.562 11.061 ( -15.204 0.401 10.448) 18.453 11.743 ( 5.646 1.105 1.516) 5.949 13.044 ( -9.810 0.522 8.953) 13.291 13.160 ( -15.365 1.648 -6.302) 16.689 16.785 ( -12.270 -2.462 15.510) 19.929 17.154 ( -0.405 0.292 5.563) 5.586 17.679 ( 5.205 -1.627 -2.080) 5.836 18.453 ( 12.457 0.199 -3.625) 12.975 ======================= Grid point 344 (172/250) ======================= q-point: (-0.67 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.284 3.508 -0.067) 3.736 1.533 ( -7.211 0.612 4.037) 8.287 1.800 ( 2.655 -1.697 -1.940) 3.700 1.870 ( 0.434 3.028 4.963) 5.830 2.150 ( 2.571 -0.331 -6.337) 6.847 2.256 ( 2.373 -0.657 1.989) 3.165 2.472 ( 0.083 1.659 -6.230) 6.447 2.851 ( -4.964 0.729 -1.328) 5.190 2.926 ( 1.158 -1.369 5.413) 5.702 3.405 ( 3.137 0.462 4.561) 5.555 4.392 ( -4.727 1.066 10.186) 11.280 5.107 ( 5.447 -1.615 -7.449) 9.368 5.585 ( -0.981 -0.273 6.114) 6.198 5.875 ( 4.457 -0.315 -8.808) 9.877 7.758 ( -12.448 -2.454 17.812) 21.869 8.728 ( 10.066 0.823 -14.194) 17.420 11.005 ( -11.345 -1.845 17.294) 20.766 11.798 ( 3.750 2.370 0.395) 4.454 12.910 ( -12.223 0.858 -2.626) 12.531 12.970 ( -8.230 0.319 4.133) 9.215 16.798 ( -12.754 -5.159 15.392) 20.644 17.198 ( -0.241 1.239 6.704) 6.822 17.754 ( 4.928 -2.084 -2.795) 6.037 18.581 ( 10.975 1.037 -2.714) 11.353 ======================= Grid point 345 (173/250) ======================= q-point: (-0.56 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.509 4.428 4.267) 6.170 1.432 ( -9.326 3.411 6.422) 11.826 1.813 ( 0.279 2.329 -0.007) 2.346 1.923 ( 3.152 -1.335 4.497) 5.651 2.130 ( 1.627 -1.557 -5.988) 6.397 2.261 ( 3.990 3.944 -6.981) 8.956 2.481 ( 1.926 -2.676 2.501) 4.138 2.731 ( -6.432 0.751 -3.877) 7.548 3.023 ( 0.932 -0.259 8.426) 8.481 3.462 ( 1.708 1.210 2.328) 3.131 4.377 ( -7.001 1.765 8.460) 11.122 5.124 ( 4.100 -1.080 -7.067) 8.242 5.621 ( -0.815 1.000 4.896) 5.063 5.858 ( 3.239 -0.688 -7.759) 8.436 7.781 ( -12.124 -2.199 18.139) 21.929 8.719 ( 9.725 2.137 -13.774) 16.997 11.117 ( -4.193 -6.090 19.156) 20.533 11.797 ( 1.981 2.369 -1.973) 3.665 12.744 ( -10.194 -0.656 1.012) 10.265 12.905 ( -4.659 -0.149 2.100) 5.112 16.842 ( -12.531 -7.688 15.384) 21.279 17.236 ( -0.436 1.817 6.658) 6.915 17.805 ( 3.406 -1.115 -3.375) 4.923 18.673 ( 8.663 1.984 -3.745) 9.644 ======================= Grid point 346 (174/250) ======================= q-point: (-0.44 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -1.739 3.462 7.704) 8.624 1.351 ( -7.171 3.451 12.035) 14.428 1.777 ( 1.279 5.263 1.168) 5.541 2.028 ( 2.256 -2.847 1.932) 4.114 2.124 ( -0.370 -3.299 -4.123) 5.293 2.173 ( 4.167 6.643 -9.401) 12.243 2.567 ( 0.352 -1.024 -0.229) 1.107 2.620 ( -2.886 -1.603 0.520) 3.342 3.098 ( -0.056 1.301 7.586) 7.697 3.459 ( -0.973 1.595 -0.282) 1.889 4.319 ( -8.747 2.134 8.832) 12.613 5.120 ( 3.171 -0.177 -6.478) 7.215 5.624 ( -1.852 2.359 4.303) 5.245 5.841 ( 2.637 -0.716 -6.677) 7.214 7.803 ( -11.898 -1.001 18.786) 22.259 8.699 ( 9.760 3.270 -12.778) 16.408 11.328 ( 0.918 -6.697 9.086) 11.325 11.791 ( 2.320 -1.727 -3.264) 4.361 12.692 ( -5.778 -4.604 8.266) 11.086 12.884 ( -2.309 -0.155 3.396) 4.109 16.915 ( -12.379 -9.534 14.767) 21.499 17.261 ( -0.918 1.919 5.808) 6.185 17.815 ( 2.002 0.375 -3.493) 4.043 18.687 ( 5.022 3.835 -7.258) 9.623 ======================= Grid point 347 (175/250) ======================= q-point: (-0.33 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -2.063 2.211 9.687) 10.148 1.377 ( -2.833 2.014 15.341) 15.730 1.748 ( 2.196 5.409 1.686) 6.076 2.008 ( -0.794 3.609 -9.537) 10.227 2.081 ( 2.489 3.022 -5.828) 7.021 2.150 ( -1.138 -4.009 2.639) 4.932 2.515 ( -0.934 -0.854 -3.817) 4.022 2.707 ( 2.308 -1.780 6.066) 6.730 3.120 ( -0.215 2.853 2.926) 4.093 3.397 ( -4.220 0.929 -1.110) 4.461 4.254 ( -9.288 2.276 10.796) 14.422 5.099 ( 2.792 0.818 -6.080) 6.740 5.595 ( -3.460 3.099 5.145) 6.932 5.830 ( 3.338 -0.525 -6.418) 7.253 7.815 ( -11.969 0.578 19.253) 22.678 8.680 ( 9.960 3.674 -11.926) 15.966 11.418 ( 1.581 -2.290 -3.004) 4.095 11.811 ( -1.026 -4.876 -7.668) 9.144 12.860 ( -0.243 -3.929 7.490) 8.462 12.959 ( 4.569 -10.507 13.668) 17.835 16.988 ( -13.486 -9.786 13.469) 21.426 17.267 ( -1.924 1.762 4.587) 5.277 17.793 ( 0.942 1.458 -2.945) 3.418 18.572 ( 0.744 7.450 -11.446) 13.677 ======================= Grid point 348 (176/250) ======================= q-point: (-0.22 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -1.660 1.453 9.137) 9.400 1.471 ( -0.318 1.950 13.277) 13.424 1.732 ( 2.271 4.782 1.173) 5.423 1.842 ( -0.691 5.065 -9.993) 11.225 2.031 ( 0.312 1.344 -2.186) 2.586 2.198 ( -1.950 -3.448 0.676) 4.019 2.521 ( 2.854 -2.329 -1.181) 3.868 2.816 ( 2.577 -0.097 7.703) 8.123 3.075 ( -0.419 2.522 -4.253) 4.962 3.313 ( -5.965 0.395 0.354) 5.988 4.206 ( -9.088 2.269 12.930) 15.966 5.068 ( 3.011 1.700 -5.928) 6.862 5.553 ( -4.326 2.828 6.137) 8.024 5.831 ( 4.588 -0.315 -6.438) 7.911 7.807 ( -12.233 1.841 19.327) 22.947 8.667 ( 10.006 3.241 -11.797) 15.805 11.431 ( 3.077 -1.632 -4.731) 5.875 11.729 ( -5.957 -3.581 -9.393) 11.685 12.912 ( -2.388 0.109 8.896) 9.211 13.422 ( 12.094 -20.599 6.277) 24.698 17.006 ( -16.681 -7.026 12.504) 22.000 17.244 ( -3.493 1.708 3.118) 4.984 17.756 ( -0.731 1.656 -1.215) 2.180 18.342 ( 0.681 10.828 -12.913) 16.866 ======================= Grid point 349 (177/250) ======================= q-point: (-0.11 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -2.163 0.854 6.337) 6.750 1.536 ( 3.967 3.879 3.493) 6.557 1.705 ( 2.967 4.051 -4.536) 6.767 1.721 ( -3.529 1.454 1.520) 4.108 2.039 ( 2.353 0.324 2.213) 3.246 2.185 ( -2.837 -1.842 -2.187) 4.028 2.628 ( 5.314 -3.536 2.313) 6.789 2.916 ( 1.254 0.146 6.663) 6.781 2.989 ( 0.068 0.844 -6.595) 6.650 3.222 ( -6.086 1.301 -0.199) 6.227 4.186 ( -8.156 1.776 14.630) 16.844 5.038 ( 3.956 1.942 -5.912) 7.374 5.522 ( -4.308 1.905 6.555) 8.072 5.845 ( 5.563 -0.136 -6.689) 8.701 7.785 ( -12.515 2.242 19.134) 22.973 8.664 ( 10.174 2.059 -12.273) 16.074 11.467 ( 3.252 -2.257 -2.895) 4.904 11.586 ( -7.662 -1.936 -7.168) 10.669 12.970 ( -3.532 -0.179 12.562) 13.050 13.780 ( 4.120 -17.105 -8.432) 19.510 16.924 ( -19.026 -1.170 14.456) 23.924 17.189 ( -4.121 1.738 1.920) 4.867 17.701 ( -3.265 2.122 0.013) 3.894 18.171 ( 8.396 7.641 -10.215) 15.272 ======================= Grid point 352 (178/250) ======================= q-point: ( 0.22 0.22 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 5.556 0.000 -4.001) 6.847 1.534 ( -7.003 -0.000 7.519) 10.275 1.794 ( 2.730 0.000 -2.644) 3.801 1.892 ( 1.386 0.000 -0.911) 1.658 2.173 ( 3.337 0.000 0.767) 3.424 2.214 ( -0.789 -0.000 2.230) 2.365 2.503 ( -0.299 -0.000 -9.715) 9.719 2.860 ( -5.500 -0.000 -1.463) 5.692 2.909 ( 2.719 0.000 6.028) 6.613 3.410 ( 3.325 0.000 4.831) 5.865 4.407 ( -4.482 -0.000 10.474) 11.393 5.085 ( 6.380 0.000 -7.774) 10.057 5.581 ( -0.682 -0.000 7.017) 7.050 5.871 ( 4.704 0.000 -9.599) 10.690 7.726 ( -12.015 -0.000 18.080) 21.708 8.739 ( 10.789 0.000 -14.216) 17.846 10.982 ( -13.655 -0.000 16.935) 21.754 11.827 ( 3.619 0.000 0.501) 3.653 12.922 ( -13.013 -0.000 -3.810) 13.559 12.974 ( -9.231 -0.000 4.941) 10.470 16.735 ( -12.942 -0.000 15.814) 20.435 17.217 ( -0.026 -0.000 7.531) 7.531 17.725 ( 5.943 0.000 -3.298) 6.797 18.595 ( 11.359 0.000 -2.713) 11.679 ======================= Grid point 353 (179/250) ======================= q-point: ( 0.33 0.22 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 5.356 3.131 -2.688) 6.762 1.505 ( -7.757 1.782 9.465) 12.366 1.793 ( 0.764 -0.612 -1.694) 1.957 1.895 ( 1.395 -2.628 -3.800) 4.826 2.173 ( 0.953 5.020 1.724) 5.392 2.288 ( 3.178 -2.752 0.285) 4.214 2.441 ( 1.767 -0.196 -3.944) 4.326 2.743 ( -7.013 0.261 -3.834) 7.997 3.020 ( 2.875 -0.020 8.078) 8.575 3.481 ( 2.145 0.393 2.332) 3.193 4.410 ( -6.928 0.743 8.689) 11.138 5.104 ( 5.746 -0.452 -7.434) 9.406 5.640 ( -0.145 0.433 6.705) 6.720 5.844 ( 3.753 -0.361 -9.266) 10.004 7.740 ( -10.997 -0.915 18.728) 21.737 8.757 ( 10.974 0.838 -13.835) 17.679 11.008 ( -9.333 -2.371 21.054) 23.152 11.841 ( 0.761 0.975 -3.128) 3.364 12.734 ( -10.945 -0.190 -0.836) 10.979 12.901 ( -5.783 -0.085 3.078) 6.552 16.721 ( -12.615 -2.317 17.073) 21.354 17.278 ( -0.518 1.179 7.859) 7.964 17.776 ( 5.208 -0.889 -4.085) 6.679 18.708 ( 9.122 0.723 -3.413) 9.767 ======================= Grid point 354 (180/250) ======================= q-point: (-0.56 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 2.982 4.878 0.133) 5.719 1.451 ( -6.643 4.245 10.962) 13.503 1.815 ( 1.326 -1.991 -1.233) 2.691 1.937 ( 1.711 -4.799 -2.931) 5.878 2.130 ( -0.963 5.075 3.228) 6.092 2.304 ( 6.393 2.738 -9.465) 11.745 2.513 ( 2.487 -2.933 5.726) 6.898 2.599 ( -7.498 -0.154 -4.360) 8.675 3.124 ( 1.740 0.729 8.033) 8.252 3.491 ( -0.378 0.933 -1.653) 1.935 4.365 ( -8.849 1.401 9.105) 12.774 5.118 ( 5.025 -0.024 -6.639) 8.326 5.676 ( -0.838 1.770 5.385) 5.730 5.821 ( 2.909 -0.853 -7.403) 8.000 7.781 ( -10.206 -0.744 19.707) 22.206 8.769 ( 10.987 2.191 -13.010) 17.168 11.156 ( -4.232 -5.996 18.384) 19.795 11.779 ( -0.709 0.239 -7.345) 7.383 12.616 ( -9.056 -1.745 4.340) 10.193 12.879 ( -2.525 -0.181 4.155) 4.865 16.753 ( -11.675 -3.941 18.133) 21.924 17.314 ( -1.129 2.056 6.829) 7.221 17.811 ( 3.904 -0.526 -4.086) 5.676 18.757 ( 6.198 1.858 -6.157) 8.932 ======================= Grid point 355 (181/250) ======================= q-point: (-0.44 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.781 4.148 4.698) 6.316 1.444 ( -3.046 3.399 12.702) 13.497 1.843 ( 1.923 0.635 -0.109) 2.028 1.961 ( -1.866 -3.636 -4.200) 5.860 2.106 ( 0.332 1.695 2.441) 2.990 2.242 ( 4.752 6.182 -9.712) 12.455 2.481 ( -3.501 -1.816 -4.889) 6.281 2.652 ( 2.964 -2.464 8.063) 8.937 3.186 ( 0.525 2.210 4.869) 5.373 3.418 ( -3.988 0.702 -4.548) 6.090 4.308 ( -9.366 1.952 11.336) 14.834 5.122 ( 4.609 0.913 -5.887) 7.532 5.672 ( -2.276 2.936 4.914) 6.160 5.811 ( 2.842 -0.930 -5.838) 6.559 7.827 ( -10.140 0.387 20.425) 22.807 8.771 ( 10.649 3.404 -12.074) 16.455 11.312 ( -2.184 -5.969 6.180) 8.865 11.706 ( -1.007 -2.913 -9.281) 9.780 12.648 ( -4.113 -7.105 13.190) 15.536 12.903 ( -1.482 -0.039 6.450) 6.618 16.818 ( -10.813 -4.374 18.465) 21.840 17.321 ( -1.896 2.361 5.184) 6.003 17.822 ( 2.697 0.712 -3.395) 4.394 18.712 ( 2.883 3.967 -10.123) 11.248 ======================= Grid point 356 (182/250) ======================= q-point: (-0.33 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.420 3.209 7.895) 8.533 1.506 ( -0.340 1.439 11.592) 11.686 1.830 ( -2.035 3.595 2.995) 5.102 1.929 ( -1.021 -1.358 -4.382) 4.700 2.086 ( 4.333 3.242 -12.160) 13.310 2.157 ( -1.178 1.990 2.801) 3.632 2.462 ( 2.173 -2.668 -3.683) 5.040 2.798 ( 3.323 -1.177 8.641) 9.332 3.144 ( -1.948 2.948 -5.655) 6.668 3.320 ( -5.203 0.033 0.243) 5.209 4.267 ( -9.074 2.429 13.437) 16.395 5.116 ( 4.586 1.996 -5.566) 7.483 5.635 ( -3.909 3.555 5.686) 7.762 5.817 ( 3.926 -0.823 -5.488) 6.798 7.856 ( -10.643 1.934 20.471) 23.153 8.759 ( 9.855 3.960 -11.675) 15.783 11.357 ( -1.543 -4.515 -2.213) 5.259 11.632 ( -3.366 -3.792 -10.235) 11.423 12.879 ( -0.530 -6.927 11.762) 13.660 12.989 ( 0.253 -8.574 12.384) 15.064 16.885 ( -10.714 -2.978 18.191) 21.321 17.297 ( -2.991 2.418 3.446) 5.164 17.809 ( 1.579 2.159 -1.951) 3.310 18.559 ( 0.769 6.721 -13.280) 14.904 ======================= Grid point 357 (183/250) ======================= q-point: (-0.22 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -2.051 2.773 6.835) 7.656 1.589 ( -0.026 0.577 8.525) 8.545 1.774 ( -4.852 2.659 4.768) 7.304 1.851 ( 2.979 6.191 -8.446) 10.887 2.037 ( 3.960 -0.971 -5.422) 6.784 2.147 ( -1.452 -0.091 -0.127) 1.460 2.543 ( 5.649 -3.213 1.133) 6.596 2.903 ( -1.059 -0.743 2.079) 2.448 3.014 ( -0.915 0.853 -4.602) 4.768 3.259 ( -4.145 1.493 0.971) 4.512 4.242 ( -8.407 2.560 14.654) 17.087 5.100 ( 4.927 2.840 -5.637) 8.007 5.588 ( -4.447 3.263 6.199) 8.298 5.837 ( 4.971 -0.536 -5.652) 7.546 7.856 ( -11.360 3.234 19.908) 23.148 8.735 ( 9.116 3.555 -11.983) 15.471 11.366 ( -4.120 -5.846 -2.133) 7.463 11.536 ( -1.515 -2.011 -8.464) 8.830 12.965 ( -3.001 -0.262 10.628) 11.046 13.305 ( -0.199 -18.815 6.789) 20.003 16.914 ( -11.299 0.442 17.920) 21.189 17.242 ( -3.941 2.430 1.971) 5.033 17.776 ( -0.114 3.592 -0.082) 3.595 18.365 ( 3.281 7.259 -13.416) 15.603 ======================= Grid point 358 (184/250) ======================= q-point: (-0.11 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -3.927 1.758 3.088) 5.296 1.638 ( 0.112 1.181 4.708) 4.855 1.731 ( -1.814 2.046 3.298) 4.284 1.754 ( 3.759 5.294 -6.561) 9.231 2.090 ( 3.443 -2.642 -1.642) 4.640 2.134 ( 0.173 0.606 1.756) 1.866 2.687 ( 5.473 -2.949 2.857) 6.842 2.795 ( -6.033 -3.210 -10.216) 12.291 3.067 ( 1.761 0.760 6.803) 7.068 3.178 ( -2.586 2.723 -1.312) 3.978 4.242 ( -6.957 1.924 15.044) 16.686 5.083 ( 5.513 3.024 -5.942) 8.652 5.550 ( -4.079 2.418 6.323) 7.903 5.861 ( 5.631 -0.227 -6.427) 8.547 7.827 ( -12.101 3.722 19.097) 22.912 8.713 ( 9.185 2.235 -12.675) 15.812 11.308 ( -11.981 -5.287 -0.491) 13.105 11.535 ( 5.606 -1.500 -3.334) 6.693 13.023 ( -4.917 -0.697 12.336) 13.298 13.478 ( -8.217 -14.729 -3.279) 17.182 16.891 ( -11.257 3.816 17.820) 21.420 17.174 ( -3.746 2.004 1.643) 4.555 17.716 ( -0.625 4.518 -0.097) 4.562 18.272 ( 9.030 3.877 -9.707) 13.813 ======================= Grid point 362 (185/250) ======================= q-point: ( 0.33 0.33 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 5.836 0.000 -4.737) 7.516 1.517 ( -7.468 -0.000 12.306) 14.395 1.774 ( -0.097 -0.000 -1.749) 1.751 1.858 ( 3.394 0.000 -3.980) 5.231 2.267 ( -2.005 -0.000 4.443) 4.875 2.282 ( 5.366 0.000 -5.501) 7.685 2.469 ( 3.785 0.000 3.107) 4.897 2.600 ( -7.815 -0.000 -4.795) 9.168 3.133 ( 2.475 0.000 7.861) 8.242 3.503 ( -0.090 -0.000 -2.095) 2.097 4.383 ( -8.906 -0.000 9.203) 12.807 5.117 ( 5.817 0.000 -6.762) 8.920 5.701 ( -0.813 -0.000 6.713) 6.763 5.808 ( 3.372 0.000 -8.542) 9.184 7.771 ( -9.524 -0.000 20.049) 22.196 8.797 ( 11.566 0.000 -13.118) 17.488 11.076 ( -6.737 -0.000 21.061) 22.113 11.784 ( -1.513 -0.000 -8.601) 8.733 12.596 ( -9.642 -0.000 2.999) 10.097 12.877 ( -2.596 -0.000 4.517) 5.210 16.706 ( -11.198 -0.000 19.013) 22.065 17.343 ( -1.533 -0.000 7.426) 7.582 17.802 ( 4.985 0.000 -4.533) 6.737 18.780 ( 6.339 0.000 -5.682) 8.512 ======================= Grid point 363 (186/250) ======================= q-point: (-0.56 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.926 2.817 -2.566) 5.471 1.521 ( -5.062 2.064 11.690) 12.905 1.781 ( 0.818 -2.901 -1.899) 3.562 1.904 ( 3.014 -1.310 -0.624) 3.345 2.211 ( -0.855 5.458 0.843) 5.589 2.317 ( 5.033 -1.240 -7.983) 9.519 2.446 ( -7.579 -0.253 -4.772) 8.960 2.599 ( 4.457 -1.453 8.982) 10.132 3.223 ( 1.200 0.765 6.470) 6.624 3.430 ( -3.814 0.288 -7.297) 8.239 4.344 ( -9.375 0.775 11.594) 14.930 5.139 ( 5.820 0.377 -5.905) 8.300 5.729 ( -2.051 1.455 5.543) 6.087 5.789 ( 3.042 -0.702 -6.113) 6.864 7.833 ( -8.974 0.106 21.180) 23.003 8.833 ( 11.411 1.436 -12.344) 16.872 11.182 ( -5.711 -3.298 14.320) 15.766 11.667 ( -1.211 -0.618 -12.198) 12.273 12.543 ( -7.271 -1.891 10.186) 12.657 12.903 ( -1.190 0.027 6.395) 6.505 16.753 ( -9.089 -1.147 20.191) 22.172 17.368 ( -2.559 1.149 5.792) 6.436 17.830 ( 4.419 0.066 -3.768) 5.808 18.774 ( 3.392 1.201 -9.055) 9.744 ======================= Grid point 364 (187/250) ======================= q-point: (-0.44 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 2.056 3.234 3.183) 4.981 1.551 ( -1.684 1.831 10.166) 10.466 1.825 ( 1.858 -4.330 -2.843) 5.503 1.909 ( -3.284 1.648 1.489) 3.964 2.154 ( 1.855 3.436 -3.220) 5.062 2.266 ( -0.907 4.286 -5.263) 6.848 2.379 ( 1.950 -4.136 -4.776) 6.612 2.767 ( 4.363 -1.105 9.887) 10.863 3.214 ( -3.980 2.593 -6.942) 8.412 3.311 ( -3.761 -0.812 0.188) 3.852 4.317 ( -8.982 1.554 13.663) 16.425 5.159 ( 5.872 1.340 -5.426) 8.106 5.714 ( -3.532 2.537 5.343) 6.890 5.795 ( 3.425 -0.846 -4.540) 5.750 7.895 ( -9.413 1.132 21.583) 23.573 8.848 ( 10.244 2.884 -11.880) 15.950 11.230 ( -7.034 -4.865 4.357) 9.599 11.560 ( -0.087 -1.942 -12.543) 12.692 12.649 ( -3.317 -6.702 17.182) 18.739 12.950 ( -1.457 0.090 7.620) 7.759 16.842 ( -6.995 -0.822 20.280) 21.468 17.352 ( -3.487 1.751 3.816) 5.458 17.852 ( 3.702 1.232 -2.111) 4.436 18.678 ( 0.804 3.045 -12.371) 12.766 ======================= Grid point 365 (188/250) ======================= q-point: (-0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -1.021 3.664 6.776) 7.771 1.603 ( 0.009 1.092 6.925) 7.010 1.834 ( -6.103 1.904 3.867) 7.471 1.878 ( 1.628 -3.683 -1.969) 4.483 2.073 ( 3.325 4.061 -11.748) 12.867 2.186 ( -0.529 2.498 -0.392) 2.584 2.466 ( 6.390 -3.174 0.195) 7.137 2.890 ( -0.988 -0.319 1.585) 1.895 3.028 ( -3.913 0.336 -5.187) 6.506 3.289 ( -2.673 0.912 1.544) 3.219 4.302 ( -8.481 2.138 14.460) 16.899 5.168 ( 5.944 2.443 -5.516) 8.469 5.670 ( -4.737 3.114 5.658) 8.010 5.820 ( 4.380 -0.749 -4.166) 6.091 7.931 ( -10.324 2.616 21.023) 23.567 8.828 ( 8.544 3.662 -12.013) 15.189 11.206 ( -9.140 -6.363 0.968) 11.179 11.487 ( 1.953 -1.937 -10.587) 10.938 12.882 ( -2.161 -9.467 15.339) 18.154 13.004 ( -2.472 -2.116 8.818) 9.399 16.937 ( -5.734 1.154 19.465) 20.325 17.300 ( -4.285 2.070 2.149) 5.221 17.862 ( 2.645 3.096 0.144) 4.075 18.510 ( 0.230 4.436 -14.118) 14.801 ======================= Grid point 366 (189/250) ======================= q-point: (-0.22 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -5.925 4.193 6.199) 9.546 1.642 ( -1.114 -0.216 4.737) 4.871 1.779 ( -3.907 1.610 3.200) 5.301 1.895 ( 1.443 3.699 -2.186) 4.533 2.006 ( 5.683 -2.248 -9.744) 11.502 2.169 ( 1.295 1.704 1.362) 2.537 2.616 ( 6.455 -2.684 3.786) 7.950 2.728 ( -8.628 -2.074 -11.555) 14.569 3.079 ( 1.572 0.168 7.350) 7.518 3.234 ( -2.284 1.801 -1.503) 3.273 4.294 ( -7.655 2.141 14.337) 16.393 5.163 ( 5.931 3.219 -5.911) 8.971 5.618 ( -4.679 2.854 5.675) 7.889 5.853 ( 4.941 -0.403 -4.698) 6.830 7.926 ( -11.408 3.939 19.732) 23.130 8.783 ( 7.517 3.241 -12.556) 14.988 11.156 ( -11.728 -6.561 2.690) 13.705 11.485 ( 5.251 -2.375 -6.267) 8.514 13.005 ( -3.721 -1.095 9.497) 10.258 13.133 ( -5.789 -11.676 7.612) 15.092 16.996 ( -6.017 4.340 18.093) 19.555 17.228 ( -4.444 2.140 1.481) 5.150 17.842 ( 0.676 5.330 1.241) 5.514 18.361 ( 4.062 3.025 -12.337) 13.336 ======================= Grid point 367 (190/250) ======================= q-point: (-0.11 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -7.753 2.431 4.182) 9.138 1.662 ( -2.334 -0.191 2.405) 3.357 1.738 ( -2.935 0.727 3.347) 4.510 1.835 ( 4.507 5.156 -5.159) 8.574 2.067 ( 4.313 -3.873 -3.233) 6.638 2.202 ( 2.672 1.009 2.298) 3.666 2.563 ( -6.194 -4.100 -8.779) 11.500 2.759 ( 4.144 -1.594 4.091) 6.037 3.088 ( -4.828 1.876 0.312) 5.189 3.221 ( 3.412 0.632 2.847) 4.489 4.304 ( -6.127 1.240 13.545) 14.918 5.147 ( 5.698 3.341 -6.345) 9.159 5.579 ( -3.749 2.104 5.524) 6.999 5.878 ( 5.177 -0.054 -6.022) 7.942 7.881 ( -12.466 4.471 18.384) 22.657 8.739 ( 7.850 1.754 -13.252) 15.503 11.097 ( -12.499 -4.309 6.836) 14.884 11.567 ( 6.302 -3.270 -1.926) 7.356 13.034 ( -5.667 -0.994 8.562) 10.316 13.187 ( -10.591 -8.703 1.024) 13.746 16.986 ( -8.093 7.010 16.539) 19.702 17.163 ( -3.523 1.531 2.272) 4.463 17.782 ( 0.945 5.480 -0.364) 5.573 18.344 ( 8.961 0.435 -7.166) 11.482 ======================= Grid point 372 (191/250) ======================= q-point: ( 0.44 0.44 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 3.939 0.000 -0.797) 4.019 1.574 ( -2.326 -0.000 9.639) 9.915 1.761 ( 0.844 0.000 -0.564) 1.015 1.928 ( -1.352 -0.000 0.955) 1.655 2.262 ( -2.721 -0.000 2.297) 3.561 2.263 ( 3.782 0.000 -9.864) 10.565 2.323 ( -0.425 -0.000 -5.675) 5.691 2.752 ( 5.088 0.000 10.396) 11.574 3.259 ( -7.765 -0.000 -11.859) 14.175 3.288 ( -0.156 -0.000 4.594) 4.597 4.337 ( -8.935 -0.000 13.700) 16.357 5.176 ( 6.403 0.000 -5.431) 8.396 5.748 ( -3.928 -0.000 5.687) 6.912 5.782 ( 3.753 0.000 -4.585) 5.925 7.910 ( -8.969 -0.000 22.057) 23.811 8.886 ( 10.553 0.000 -12.079) 16.039 11.163 ( -8.850 -0.000 7.681) 11.718 11.536 ( 0.770 0.000 -13.703) 13.725 12.569 ( -4.677 -0.000 16.638) 17.283 12.952 ( -1.195 -0.000 7.192) 7.291 16.833 ( -5.822 -0.000 20.831) 21.630 17.374 ( -3.897 -0.000 3.970) 5.563 17.867 ( 4.673 0.000 -2.113) 5.128 18.714 ( 0.818 0.000 -11.921) 11.949 ======================= Grid point 373 (192/250) ======================= q-point: (-0.44 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 2.074 2.130 4.200) 5.145 1.635 ( 0.444 0.909 6.540) 6.618 1.789 ( 1.426 -2.299 -0.301) 2.722 1.863 ( -6.924 0.446 0.441) 6.953 2.164 ( -0.241 3.093 -6.270) 6.996 2.226 ( -0.038 -0.156 -5.988) 5.990 2.398 ( 7.380 -1.692 2.187) 7.881 2.885 ( 0.150 -0.070 2.221) 2.227 3.034 ( -6.668 0.121 -6.297) 9.172 3.303 ( -1.761 0.274 1.780) 2.519 4.340 ( -8.478 0.826 14.229) 16.584 5.212 ( 6.657 0.964 -5.657) 8.789 5.727 ( -5.056 1.274 5.283) 7.422 5.806 ( 4.082 -0.357 -2.968) 5.059 7.976 ( -9.801 0.968 21.934) 24.044 8.898 ( 8.499 1.627 -12.327) 15.061 11.087 ( -11.227 -2.723 3.935) 12.204 11.449 ( 3.158 -0.885 -12.055) 12.493 12.706 ( -3.119 -3.656 18.654) 19.264 12.995 ( -1.871 0.047 6.706) 6.963 16.960 ( -2.872 0.552 19.994) 20.206 17.337 ( -4.683 0.795 2.262) 5.261 17.917 ( 4.486 1.216 0.380) 4.663 18.582 ( -1.097 1.451 -13.989) 14.107 ======================= Grid point 374 (193/250) ======================= q-point: (-0.33 -0.56 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -4.268 4.872 7.741) 10.093 1.652 ( -1.463 1.169 1.716) 2.540 1.788 ( -2.802 -1.322 -1.124) 3.296 1.854 ( 1.116 -2.647 2.922) 4.098 2.069 ( 2.774 3.777 -8.703) 9.884 2.195 ( 1.305 0.088 -2.172) 2.536 2.559 ( 6.768 -1.803 5.562) 8.944 2.693 ( -10.635 -0.872 -12.772) 16.643 3.078 ( 1.688 -0.157 7.946) 8.124 3.267 ( -2.471 0.874 -1.258) 2.907 4.339 ( -8.029 1.355 13.633) 15.880 5.230 ( 6.501 2.028 -6.386) 9.336 5.679 ( -5.519 1.912 5.065) 7.731 5.844 ( 4.320 -0.298 -2.703) 5.105 8.007 ( -10.994 2.413 20.607) 23.481 8.858 ( 6.362 2.544 -12.905) 14.611 11.013 ( -11.533 -4.509 5.688) 13.627 11.429 ( 5.137 -1.884 -8.561) 10.160 12.878 ( -4.253 -6.172 14.950) 16.724 13.020 ( -2.807 -0.345 5.522) 6.204 17.088 ( -1.362 2.822 17.928) 18.200 17.272 ( -4.808 1.358 1.435) 5.198 17.959 ( 3.161 3.769 2.699) 5.611 18.415 ( -0.447 1.386 -14.023) 14.099 ======================= Grid point 375 (194/250) ======================= q-point: (-0.22 -0.56 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -10.833 6.130 8.251) 14.934 1.634 ( -2.337 -1.223 0.406) 2.669 1.765 ( -2.123 0.395 0.366) 2.190 1.915 ( -0.273 -2.013 0.216) 2.043 2.003 ( 6.615 2.524 -9.285) 11.676 2.217 ( 1.699 -0.276 1.133) 2.061 2.487 ( -6.611 -2.161 -7.494) 10.224 2.716 ( 4.178 -1.708 6.509) 7.921 3.129 ( -3.339 1.321 2.791) 4.548 3.228 ( 1.560 -0.033 -0.020) 1.560 4.336 ( -7.262 1.185 12.490) 14.496 5.225 ( 5.791 2.757 -6.995) 9.490 5.627 ( -4.905 1.695 4.764) 7.045 5.877 ( 4.311 0.013 -3.732) 5.702 7.986 ( -12.364 3.719 18.605) 22.646 8.788 ( 5.551 2.075 -13.493) 14.737 10.990 ( -9.894 -3.978 10.445) 14.927 11.481 ( 5.989 -3.387 -4.472) 8.206 12.987 ( -6.763 -5.492 9.081) 12.585 13.025 ( -4.341 -1.366 3.809) 5.935 17.159 ( -2.396 6.105 14.125) 15.573 17.207 ( -4.239 2.007 3.117) 5.631 17.931 ( -0.340 6.456 0.511) 6.485 18.337 ( 5.235 -1.240 -8.405) 9.979 ======================= Grid point 376 (195/250) ======================= q-point: (-0.11 -0.56 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -11.020 3.824 7.965) 14.124 1.611 ( -4.942 -1.159 -0.311) 5.086 1.714 ( -5.423 -1.248 2.453) 6.081 1.896 ( 2.805 2.636 -3.406) 5.140 2.044 ( 6.680 -4.382 -7.471) 10.938 2.247 ( 0.534 0.248 1.350) 1.473 2.437 ( 0.199 -1.171 -0.076) 1.191 2.819 ( 0.082 -1.479 4.451) 4.691 3.039 ( -4.105 2.790 -1.361) 5.146 3.294 ( 2.972 -1.093 3.429) 4.668 4.341 ( -6.149 0.129 11.099) 12.689 5.197 ( 4.560 2.865 -7.127) 8.933 5.594 ( -3.381 0.954 4.327) 5.574 5.892 ( 4.099 0.304 -5.416) 6.799 7.918 ( -13.458 4.195 17.177) 22.220 8.727 ( 6.368 0.500 -14.002) 15.390 11.019 ( -7.264 -0.781 15.081) 16.758 11.589 ( 5.623 -4.581 -1.059) 7.330 12.986 ( -9.803 -3.893 2.550) 10.852 13.002 ( -5.079 -0.853 3.641) 6.307 17.129 ( -6.507 10.029 13.380) 17.943 17.160 ( -2.796 1.089 3.414) 4.545 17.846 ( 0.422 4.341 -2.082) 4.833 18.413 ( 9.010 -1.749 -3.029) 9.665 ======================= Grid point 382 (196/250) ======================= q-point: (-0.44 -0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -1.839 -0.000 7.498) 7.720 1.674 ( 0.300 0.000 -2.140) 2.161 1.760 ( -5.900 -0.000 -0.798) 5.954 1.821 ( 2.102 0.000 4.523) 4.987 2.126 ( 0.102 0.000 -5.091) 5.092 2.183 ( 2.317 0.000 -5.743) 6.193 2.536 ( 6.675 0.000 6.878) 9.585 2.682 ( -11.367 -0.000 -13.326) 17.516 3.075 ( 1.742 0.000 8.141) 8.326 3.278 ( -2.562 -0.000 -1.110) 2.792 4.357 ( -8.140 -0.000 13.336) 15.624 5.256 ( 6.795 0.000 -6.737) 9.568 5.704 ( -5.891 -0.000 4.840) 7.624 5.840 ( 4.051 0.000 -1.784) 4.427 8.038 ( -10.883 -0.000 21.062) 23.707 8.892 ( 5.953 0.000 -13.181) 14.463 10.954 ( -11.408 -0.000 6.890) 13.327 11.404 ( 5.133 0.000 -9.409) 10.718 12.800 ( -4.005 -0.000 16.681) 17.155 13.018 ( -2.288 -0.000 4.502) 5.050 17.124 ( 0.480 0.000 17.798) 17.805 17.290 ( -4.898 -0.000 1.387) 5.091 18.009 ( 4.836 0.000 3.452) 5.942 18.432 ( -2.562 -0.000 -14.752) 14.973 ======================= Grid point 383 (197/250) ======================= q-point: (-0.33 -0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -10.992 4.197 9.925) 15.393 1.620 ( -1.267 0.054 -5.522) 5.665 1.733 ( 1.260 -1.993 -1.569) 2.832 1.869 ( -2.800 -0.582 1.765) 3.360 2.084 ( 3.425 2.340 -5.887) 7.202 2.187 ( 1.227 -1.567 -1.146) 2.297 2.452 ( -6.113 -0.718 -7.144) 9.430 2.686 ( 3.315 -0.627 8.681) 9.313 3.151 ( -0.646 0.465 5.528) 5.585 3.224 ( -1.323 -0.143 -2.655) 2.970 4.357 ( -7.824 0.472 11.756) 14.129 5.273 ( 6.256 1.051 -7.983) 10.197 5.657 ( -6.073 0.667 4.548) 7.617 5.878 ( 3.679 0.026 -2.003) 4.189 8.051 ( -12.346 1.427 18.937) 22.651 8.828 ( 3.989 0.942 -13.922) 14.513 10.918 ( -7.863 -1.585 12.970) 15.249 11.417 ( 5.677 -1.463 -6.281) 8.592 12.881 ( -5.951 -2.290 12.217) 13.781 13.014 ( -2.593 -0.132 2.020) 3.290 17.232 ( -4.134 0.892 1.795) 4.594 17.279 ( 1.890 2.306 13.906) 14.222 18.085 ( 2.477 5.186 3.642) 6.804 18.281 ( -0.179 -2.875 -11.534) 11.888 ======================= Grid point 384 (198/250) ======================= q-point: (-0.22 -0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -13.967 6.385 10.835) 18.795 1.564 ( -1.590 -1.824 -4.392) 5.014 1.710 ( -10.180 0.287 -0.812) 10.217 1.830 ( 1.589 -5.094 -4.604) 7.048 2.059 ( 5.408 3.188 -5.494) 8.342 2.232 ( 0.632 -1.428 3.072) 3.446 2.420 ( 2.293 -0.477 1.221) 2.641 2.780 ( -1.911 -1.388 5.845) 6.304 3.112 ( -2.520 3.073 -0.035) 3.975 3.252 ( 1.744 -2.249 2.097) 3.535 4.346 ( -7.378 0.193 10.152) 12.552 5.258 ( 4.855 1.872 -8.442) 9.917 5.610 ( -5.155 0.398 4.137) 6.622 5.900 ( 3.151 0.253 -3.419) 4.656 8.006 ( -13.823 2.661 16.793) 21.912 8.741 ( 3.831 0.500 -14.279) 14.793 11.009 ( -1.985 -0.090 18.477) 18.583 11.481 ( 5.293 -3.647 -3.283) 7.218 12.903 ( -8.025 -2.488 7.190) 11.058 12.988 ( -2.894 -0.339 0.302) 2.929 17.188 ( -3.066 1.132 2.750) 4.271 17.356 ( 0.430 6.990 10.323) 12.474 17.973 ( -2.354 6.128 -5.015) 8.261 18.347 ( 6.670 -3.722 0.160) 7.640 ======================= Grid point 385 (199/250) ======================= q-point: (-0.11 -0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -12.312 5.043 11.245) 17.420 1.482 ( -13.311 -1.024 2.072) 13.510 1.605 ( -1.753 -5.065 -2.316) 5.839 1.911 ( 5.588 -4.225 -3.806) 7.972 2.055 ( 5.405 1.886 -5.043) 7.629 2.270 ( -1.542 0.314 4.165) 4.453 2.492 ( 4.326 0.793 2.695) 5.158 2.770 ( -5.416 -2.363 -0.829) 5.967 3.050 ( -2.154 3.543 3.263) 5.276 3.337 ( 2.268 -2.543 3.130) 4.627 4.336 ( -7.005 -0.819 8.851) 11.318 5.211 ( 2.987 2.116 -7.850) 8.661 5.586 ( -3.411 -0.458 3.571) 4.959 5.897 ( 2.727 0.415 -5.203) 5.889 7.921 ( -14.490 3.031 16.164) 21.918 8.675 ( 5.443 -0.935 -14.215) 15.250 11.167 ( 2.619 4.287 18.335) 19.011 11.596 ( 5.353 -5.113 0.182) 7.405 12.855 ( -8.834 -1.007 3.827) 9.679 12.950 ( -3.345 -0.369 -0.132) 3.367 17.175 ( -1.778 0.650 4.350) 4.744 17.291 ( -4.740 12.361 8.509) 15.738 17.857 ( -0.365 2.212 -4.107) 4.679 18.493 ( 7.772 -2.601 -0.160) 8.197 ======================= Grid point 392 (200/250) ======================= q-point: (-0.33 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -14.788 -0.000 11.952) 19.014 1.540 ( 0.275 0.000 -8.955) 8.960 1.722 ( -14.447 -0.000 -3.923) 14.970 1.750 ( 3.600 0.000 -1.067) 3.754 2.108 ( 4.502 0.000 -4.585) 6.426 2.203 ( 0.949 0.000 3.935) 4.048 2.413 ( 3.251 0.000 0.998) 3.401 2.762 ( -3.027 -0.000 6.644) 7.301 3.183 ( -1.949 -0.000 3.515) 4.019 3.191 ( 1.275 0.000 -1.263) 1.795 4.349 ( -7.803 -0.000 9.743) 12.482 5.282 ( 5.359 0.000 -9.335) 10.764 5.615 ( -6.245 -0.000 4.428) 7.655 5.903 ( 2.744 0.000 -2.632) 3.802 8.040 ( -13.955 -0.000 16.655) 21.729 8.748 ( 2.776 0.000 -14.424) 14.689 11.009 ( 0.490 0.000 20.312) 20.317 11.432 ( 4.903 0.000 -4.691) 6.786 12.872 ( -7.351 -0.000 8.737) 11.418 12.984 ( -2.213 -0.000 -0.784) 2.348 17.204 ( -3.216 -0.000 2.596) 4.133 17.442 ( 3.637 0.000 8.559) 9.299 18.093 ( -2.148 -0.000 -13.346) 13.518 18.264 ( 5.030 0.000 8.678) 10.031 ======================= Grid point 393 (201/250) ======================= q-point: (-0.22 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -14.920 4.243 13.163) 20.344 1.456 ( -13.989 -0.953 1.706) 14.125 1.512 ( -0.442 -2.156 -9.411) 9.665 1.805 ( 4.104 -2.713 -2.610) 5.569 2.121 ( 4.427 2.051 -3.478) 5.991 2.259 ( -2.010 -0.892 7.348) 7.670 2.502 ( 5.786 0.163 3.004) 6.521 2.723 ( -6.917 -1.140 0.071) 7.010 3.140 ( -2.586 3.383 1.980) 4.696 3.264 ( 2.141 -3.043 3.399) 5.039 4.323 ( -7.839 -0.280 8.312) 11.429 5.252 ( 3.626 0.977 -9.428) 10.149 5.574 ( -5.492 -0.366 4.352) 7.016 5.904 ( 2.019 0.144 -4.242) 4.700 7.974 ( -15.071 1.181 15.465) 21.626 8.659 ( 3.665 -0.331 -14.248) 14.716 11.269 ( 9.465 3.399 20.511) 22.844 11.479 ( 4.729 -3.744 -2.081) 6.381 12.837 ( -7.476 -0.359 6.377) 9.833 12.943 ( -2.041 -0.166 -1.791) 2.720 17.193 ( -2.238 0.518 3.933) 4.554 17.517 ( 2.541 4.640 3.666) 6.437 17.936 ( -0.922 3.477 -9.704) 10.349 18.423 ( 4.685 -2.421 5.640) 7.722 ======================= Grid point 394 (202/250) ======================= q-point: (-0.11 -0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -12.102 4.755 12.742) 18.205 1.305 ( -14.659 -1.908 9.710) 17.686 1.530 ( 4.384 -4.731 -5.800) 8.674 1.884 ( 5.025 -5.256 -4.857) 8.744 2.117 ( 3.052 2.810 -2.215) 4.703 2.283 ( -4.714 0.760 7.031) 8.499 2.592 ( 3.684 1.187 0.273) 3.880 2.641 ( -4.408 -2.416 -1.079) 5.141 3.081 ( -3.478 2.139 2.983) 5.057 3.360 ( 0.996 -2.587 4.078) 4.931 4.293 ( -8.093 -1.100 7.746) 11.257 5.191 ( 1.713 1.372 -8.191) 8.480 5.556 ( -4.121 -1.351 4.107) 5.974 5.882 ( 2.000 0.184 -5.864) 6.198 7.889 ( -15.001 1.504 16.049) 22.019 8.610 ( 6.105 -1.538 -13.556) 14.946 11.417 ( 4.844 3.547 2.172) 6.385 11.696 ( 12.989 -0.746 9.097) 15.876 12.808 ( -3.939 1.631 7.774) 8.866 12.904 ( -2.135 -0.213 -0.578) 2.222 17.201 ( -1.652 0.294 4.953) 5.230 17.445 ( -2.220 11.985 2.091) 12.367 17.830 ( 0.228 1.343 -5.336) 5.507 18.532 ( 2.733 -3.371 -1.303) 4.531 ======================= Grid point 402 (203/250) ======================= q-point: (-0.22 -0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -15.061 -0.000 15.649) 21.719 1.274 ( -15.257 -0.000 10.126) 18.312 1.460 ( 7.420 0.000 -12.510) 14.545 1.815 ( 3.658 0.000 -2.982) 4.720 2.157 ( 2.579 0.000 -2.701) 3.734 2.288 ( -4.932 -0.000 10.772) 11.848 2.597 ( -6.799 -0.000 -3.064) 7.457 2.615 ( 5.819 0.000 2.542) 6.350 3.117 ( -4.250 -0.000 -0.012) 4.250 3.319 ( 1.188 0.000 5.947) 6.065 4.279 ( -8.349 -0.000 7.582) 11.278 5.211 ( 1.985 0.000 -9.270) 9.480 5.537 ( -5.346 -0.000 5.010) 7.327 5.884 ( 1.763 0.000 -5.717) 5.983 7.908 ( -15.461 -0.000 15.582) 21.951 8.590 ( 5.429 0.000 -13.557) 14.604 11.457 ( 2.878 0.000 -4.704) 5.515 11.691 ( 18.448 0.000 14.196) 23.278 12.832 ( -1.462 -0.000 9.542) 9.653 12.900 ( -1.749 -0.000 -1.371) 2.222 17.207 ( -2.054 -0.000 4.858) 5.275 17.593 ( 2.484 0.000 -1.626) 2.969 17.876 ( 2.730 0.000 -10.340) 10.694 18.478 ( -1.556 -0.000 2.528) 2.969 ======================= Grid point 403 (204/250) ======================= q-point: (-0.11 -0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -11.595 3.178 14.462) 18.807 1.239 ( -8.978 -1.455 16.128) 18.516 1.492 ( 8.086 -4.043 -9.397) 13.040 1.849 ( 3.455 -2.460 -4.367) 6.088 2.135 ( -1.593 0.727 -2.745) 3.256 2.300 ( -5.609 2.026 9.264) 11.018 2.516 ( -2.207 -1.840 -1.875) 3.431 2.695 ( 3.386 0.666 1.375) 3.714 3.061 ( -3.188 0.046 1.047) 3.356 3.375 ( -1.466 -1.046 4.429) 4.781 4.235 ( -8.866 -0.720 8.146) 12.062 5.144 ( 0.604 0.463 -7.940) 7.976 5.521 ( -4.640 -1.069 5.345) 7.158 5.855 ( 2.603 0.001 -6.790) 7.271 7.841 ( -14.875 0.315 16.773) 22.421 8.569 ( 7.915 -1.118 -12.681) 14.990 11.450 ( 2.791 0.030 -5.061) 5.779 11.945 ( 9.267 1.610 -2.123) 9.642 12.873 ( -1.833 -0.009 1.274) 2.232 13.022 ( 15.643 4.150 14.449) 21.696 17.221 ( -2.479 0.012 5.063) 5.637 17.541 ( -0.665 7.256 -4.207) 8.414 17.821 ( 3.174 3.194 -6.533) 7.935 18.416 ( -9.137 -5.318 -4.581) 11.522 ======================= Grid point 412 (205/250) ======================= q-point: (-0.11 -0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -10.347 -0.000 16.030) 19.079 1.290 ( -0.764 -0.000 10.473) 10.500 1.508 ( 8.381 0.000 -5.342) 9.939 1.836 ( 1.735 0.000 -4.591) 4.908 2.053 ( -5.298 -0.000 -2.351) 5.796 2.321 ( -5.117 -0.000 6.417) 8.207 2.509 ( 3.389 0.000 0.639) 3.448 2.739 ( 0.417 0.000 2.751) 2.782 3.037 ( -0.633 -0.000 0.010) 0.633 3.364 ( -4.076 -0.000 2.550) 4.807 4.185 ( -9.240 -0.000 9.860) 13.513 5.082 ( 0.336 0.000 -7.033) 7.041 5.503 ( -4.511 -0.000 6.072) 7.564 5.836 ( 3.931 0.000 -7.146) 8.156 7.796 ( -14.278 -0.000 17.775) 22.799 8.572 ( 9.611 0.000 -12.123) 15.471 11.443 ( 3.436 0.000 -5.286) 6.305 11.941 ( -1.359 -0.000 -8.928) 9.031 12.873 ( -2.105 -0.000 5.104) 5.521 13.505 ( 30.198 0.000 6.003) 30.789 17.223 ( -3.591 -0.000 4.442) 5.713 17.498 ( -5.263 -0.000 -8.265) 9.798 17.878 ( 9.345 0.000 -8.255) 12.469 18.089 ( -23.380 -0.000 -1.388) 23.421 ======================= Grid point 413 (206/250) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -8.095 -0.000 2.602) 8.503 1.315 ( 12.022 0.000 -7.209) 14.018 1.737 ( 0.741 0.000 2.351) 2.465 1.745 ( -3.760 -0.000 2.160) 4.336 2.112 ( 2.375 0.000 4.008) 4.659 2.170 ( -1.900 -0.000 -1.981) 2.745 2.727 ( 4.149 0.000 3.041) 5.144 2.829 ( -2.255 -0.000 -7.486) 7.818 3.062 ( 4.240 0.000 6.827) 8.036 3.162 ( -5.980 -0.000 -3.496) 6.927 4.497 ( -9.904 -0.000 18.019) 20.561 4.815 ( 8.333 0.000 -13.937) 16.238 5.622 ( -3.887 -0.000 5.991) 7.141 5.730 ( 4.087 0.000 -5.377) 6.754 8.096 ( -11.449 -0.000 16.135) 19.784 8.385 ( 10.712 0.000 -13.783) 17.457 11.475 ( 6.240 0.000 0.771) 6.287 11.516 ( -7.822 -0.000 -3.436) 8.544 13.278 ( -3.269 -0.000 17.813) 18.111 13.648 ( 4.450 0.000 -19.751) 20.246 17.121 ( -7.473 -0.000 6.052) 9.616 17.182 ( -1.969 -0.000 -0.683) 2.084 17.735 ( -12.713 -0.000 6.050) 14.079 17.893 ( 15.339 0.000 -9.259) 17.917 ======================= Grid point 414 (207/250) ======================= q-point: ( 0.11 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -5.867 -2.294 1.653) 6.513 1.440 ( 12.457 -2.105 -7.047) 14.466 1.716 ( -3.114 -0.844 1.844) 3.716 1.791 ( 2.316 -0.545 3.160) 3.956 2.120 ( -1.021 1.133 -3.203) 3.547 2.171 ( 2.415 0.483 2.136) 3.260 2.700 ( -4.749 2.369 -6.821) 8.643 2.796 ( 2.193 0.457 4.237) 4.792 3.063 ( -4.424 -0.962 -3.722) 5.861 3.193 ( 4.946 -0.619 6.106) 7.882 4.535 ( -8.381 -0.532 17.014) 18.974 4.819 ( 9.951 -1.284 -14.689) 17.789 5.628 ( -3.449 -0.667 5.601) 6.612 5.740 ( 4.249 -0.472 -5.769) 7.180 8.093 ( -11.225 -1.520 15.563) 19.249 8.411 ( 10.591 -0.884 -14.355) 17.862 11.377 ( -8.233 1.275 -0.112) 8.332 11.573 ( 6.534 1.211 2.497) 7.098 13.343 ( -8.760 2.098 16.133) 18.477 13.449 ( -4.096 2.784 -17.165) 17.865 17.111 ( -7.120 -1.335 11.138) 13.287 17.174 ( -0.473 -0.567 1.814) 1.958 17.658 ( -6.805 -2.306 3.949) 8.199 18.043 ( 16.185 -1.143 -8.015) 18.097 ======================= Grid point 415 (208/250) ======================= q-point: ( 0.22 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -4.586 -3.506 2.407) 6.254 1.556 ( 7.941 -2.080 -5.743) 10.018 1.727 ( -0.392 -1.375 3.334) 3.628 1.855 ( 1.948 -0.548 1.906) 2.780 2.050 ( 0.717 2.417 -7.162) 7.593 2.210 ( 2.057 0.527 1.353) 2.518 2.539 ( -4.746 3.175 -4.051) 7.001 2.872 ( 1.743 -0.667 6.439) 6.704 2.981 ( -3.606 -0.820 -4.936) 6.167 3.316 ( 4.139 -0.285 5.259) 6.698 4.578 ( -7.539 -0.031 15.132) 16.906 4.853 ( 10.823 -2.486 -15.112) 18.753 5.642 ( -2.599 -0.655 4.521) 5.256 5.756 ( 3.741 -1.258 -5.142) 6.482 8.104 ( -11.100 -2.874 14.775) 18.702 8.435 ( 10.045 -0.944 -14.610) 17.756 11.268 ( -7.168 1.390 4.260) 8.453 11.665 ( 5.912 2.584 3.364) 7.276 13.199 ( -7.509 2.543 -10.306) 13.002 13.275 ( -11.959 3.731 8.617) 15.205 17.141 ( -8.436 -3.078 12.277) 15.210 17.204 ( 0.252 0.361 4.084) 4.108 17.669 ( -1.337 -3.996 1.412) 4.444 18.219 ( 14.972 -1.080 -4.393) 15.640 ======================= Grid point 416 (209/250) ======================= q-point: ( 0.33 0.00 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -4.452 -3.407 4.312) 7.072 1.595 ( -0.047 -0.931 -1.520) 1.783 1.779 ( 2.164 -0.838 -1.265) 2.643 1.890 ( -0.297 1.532 4.958) 5.197 1.960 ( 4.047 2.042 -10.272) 11.228 2.232 ( 0.953 0.832 -0.524) 1.369 2.458 ( -0.607 0.446 0.677) 1.013 2.870 ( -4.062 1.161 -4.818) 6.408 2.992 ( 1.828 -2.694 6.422) 7.200 3.406 ( 2.838 0.503 3.952) 4.891 4.598 ( -7.674 0.725 13.355) 15.420 4.895 ( 10.334 -2.555 -15.223) 18.576 5.650 ( -1.474 0.028 2.517) 2.917 5.783 ( 2.485 -1.934 -3.032) 4.371 8.122 ( -11.058 -3.400 14.207) 18.321 8.443 ( 9.240 -0.129 -14.553) 17.239 11.238 ( -3.745 -0.238 8.030) 8.863 11.726 ( 3.799 3.757 3.192) 6.224 13.001 ( -7.535 1.050 -4.876) 9.036 13.110 ( -10.238 3.554 1.182) 10.901 17.171 ( -9.064 -4.717 10.709) 14.802 17.239 ( 0.786 1.600 4.388) 4.736 17.723 ( 1.196 -3.526 -0.633) 3.777 18.394 ( 11.399 -0.526 -0.604) 11.427 ======================= Grid point 417 (210/250) ======================= q-point: (-0.56 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -4.591 -2.521 6.002) 7.966 1.564 ( -5.775 -0.110 3.463) 6.734 1.726 ( 2.164 4.935 -7.058) 8.880 1.942 ( 2.729 1.002 4.488) 5.347 1.954 ( 4.353 0.032 -3.548) 5.616 2.211 ( -0.965 -1.604 -3.807) 4.242 2.504 ( 2.842 -0.941 3.255) 4.423 2.742 ( -4.467 1.401 -5.575) 7.280 3.103 ( 0.734 -1.851 6.257) 6.566 3.453 ( 1.361 1.100 2.207) 2.817 4.590 ( -9.023 1.370 13.280) 16.114 4.920 ( 9.392 -1.878 -15.222) 17.985 5.648 ( -0.769 0.528 1.340) 1.633 5.809 ( 0.846 -1.411 -1.406) 2.164 8.138 ( -10.918 -2.896 14.288) 18.213 8.429 ( 8.682 1.249 -14.046) 16.559 11.311 ( 0.564 -2.277 7.383) 7.746 11.737 ( 1.584 3.356 1.691) 4.077 12.877 ( -5.879 -0.383 -0.460) 5.910 12.963 ( -4.676 1.861 -1.785) 5.340 17.205 ( -7.149 -5.657 7.432) 11.762 17.266 ( 0.836 1.667 3.394) 3.872 17.762 ( 1.204 -1.534 -1.717) 2.598 18.520 ( 6.441 0.372 -0.099) 6.453 ======================= Grid point 418 (211/250) ======================= q-point: (-0.44 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -3.742 -0.710 5.339) 6.559 1.535 ( -6.577 -0.458 10.072) 12.038 1.648 ( 3.710 5.923 -4.021) 8.063 1.933 ( 1.787 3.783 -2.893) 5.086 2.025 ( 2.998 -1.037 0.088) 3.174 2.191 ( -1.371 -4.122 -3.662) 5.682 2.568 ( -0.658 -0.031 -1.270) 1.431 2.654 ( 0.580 -0.317 1.232) 1.398 3.149 ( -1.239 0.645 2.346) 2.730 3.462 ( -0.528 0.658 1.029) 1.330 4.561 ( -10.645 1.806 14.725) 18.260 4.925 ( 8.389 -1.071 -14.560) 16.838 5.643 ( -0.664 0.811 1.634) 1.941 5.808 ( -0.648 -0.096 -1.157) 1.330 8.149 ( -10.792 -1.614 14.959) 18.516 8.402 ( 8.856 2.474 -13.160) 16.054 11.384 ( 0.858 -0.657 -0.376) 1.144 11.759 ( 2.962 -1.391 -0.022) 3.272 12.854 ( -0.903 -2.003 3.178) 3.863 12.917 ( 0.504 -0.129 1.402) 1.496 17.248 ( -3.975 -5.747 3.286) 7.722 17.282 ( 0.300 0.903 1.806) 2.042 17.763 ( 0.644 0.574 -1.951) 2.133 18.547 ( 0.611 1.731 -2.703) 3.267 ======================= Grid point 419 (212/250) ======================= q-point: (-0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -1.472 1.034 2.695) 3.240 1.568 ( -4.550 2.225 9.568) 10.826 1.615 ( 2.452 3.021 4.006) 5.585 1.865 ( -0.824 4.177 -1.340) 4.463 2.031 ( 0.365 -1.295 -6.170) 6.315 2.223 ( 0.307 -4.491 -0.334) 4.514 2.504 ( -1.528 0.216 -3.411) 3.744 2.750 ( 3.195 -1.140 6.253) 7.114 3.100 ( -1.969 2.525 -2.786) 4.244 3.441 ( -2.855 0.042 0.235) 2.865 4.525 ( -11.597 1.916 16.590) 20.332 4.913 ( 7.193 -0.190 -13.707) 15.481 5.640 ( -1.248 1.029 2.999) 3.408 5.776 ( -0.796 0.899 -1.920) 2.264 8.149 ( -10.961 -0.134 15.707) 19.154 8.378 ( 9.539 2.982 -12.471) 15.982 11.362 ( 1.237 0.355 -5.013) 5.175 11.805 ( 0.173 -3.579 -4.570) 5.807 12.917 ( 2.602 -0.195 3.469) 4.341 13.063 ( 9.990 -6.375 6.254) 13.400 17.283 ( -1.417 -0.660 0.330) 1.597 17.289 ( -0.946 -4.228 -1.014) 4.450 17.737 ( 1.071 1.949 -2.192) 3.123 18.436 ( -6.409 3.866 -5.011) 9.007 ======================= Grid point 420 (213/250) ======================= q-point: (-0.22 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 1.980 0.954 -0.142) 2.203 1.488 ( -3.589 7.137 1.689) 8.165 1.699 ( -1.503 -0.308 10.523) 10.634 1.801 ( -1.949 2.410 0.426) 3.129 2.001 ( 0.457 -1.158 -2.480) 2.775 2.256 ( -1.528 -2.898 -2.785) 4.300 2.503 ( 3.244 -1.718 0.154) 3.674 2.859 ( 2.442 0.005 7.201) 7.604 3.006 ( -1.281 1.794 -6.026) 6.417 3.382 ( -4.768 0.186 -1.319) 4.951 4.497 ( -11.862 1.693 17.965) 21.595 4.880 ( 6.453 0.568 -13.407) 14.890 5.635 ( -2.756 1.158 4.949) 5.782 5.741 ( 1.162 0.869 -3.463) 3.755 8.136 ( -11.287 0.843 16.182) 19.748 8.367 ( 10.107 2.592 -12.458) 16.250 11.351 ( 3.501 -0.500 -4.353) 5.608 11.759 ( -4.413 -2.666 -6.327) 8.162 13.007 ( 2.179 -0.267 8.535) 8.813 13.389 ( 17.605 -8.297 -2.000) 19.565 17.261 ( -2.865 -1.151 -1.155) 3.297 17.291 ( -1.946 -1.919 -3.309) 4.292 17.723 ( 4.259 1.508 -3.249) 5.565 18.197 ( -12.707 5.881 -3.168) 14.356 ======================= Grid point 421 (214/250) ======================= q-point: (-0.11 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 5.159 -0.556 -2.505) 5.761 1.353 ( -4.932 5.923 0.677) 7.737 1.731 ( -1.657 -0.353 1.092) 2.016 1.768 ( -2.708 1.809 5.220) 6.153 2.039 ( 1.696 -0.982 3.454) 3.971 2.216 ( -2.353 -0.946 -3.204) 4.086 2.615 ( 5.668 -2.283 2.565) 6.627 2.913 ( -0.329 0.765 -6.199) 6.255 2.958 ( 2.053 0.150 6.174) 6.508 3.282 ( -5.978 0.477 -2.886) 6.655 4.485 ( -11.329 1.021 18.430) 21.658 4.840 ( 6.935 0.686 -13.536) 15.225 5.626 ( -3.856 0.786 5.999) 7.174 5.727 ( 3.226 0.397 -4.697) 5.712 8.114 ( -11.513 0.911 16.350) 20.017 8.368 ( 10.496 1.395 -13.048) 16.804 11.393 ( 5.286 -0.729 -1.778) 5.625 11.650 ( -6.684 -1.444 -5.489) 8.768 13.138 ( 0.559 -0.666 14.181) 14.208 13.640 ( 14.610 -5.203 -13.618) 20.639 17.201 ( -6.794 -1.080 -0.870) 6.934 17.232 ( -2.480 0.957 -1.734) 3.174 17.770 ( 7.499 -0.965 -4.288) 8.692 17.929 ( -12.134 5.569 0.784) 13.374 ======================= Grid point 423 (215/250) ======================= q-point: ( 0.11 0.11 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -2.449 -0.000 1.017) 2.652 1.531 ( 10.473 0.000 -6.859) 12.519 1.709 ( -0.834 -0.000 4.461) 4.538 1.838 ( 2.613 0.000 -1.027) 2.807 2.088 ( 0.822 0.000 -4.878) 4.946 2.213 ( 1.083 0.000 2.140) 2.399 2.588 ( -5.377 -0.000 -5.482) 7.678 2.857 ( 1.041 0.000 5.533) 5.630 2.974 ( -3.066 -0.000 -3.787) 4.872 3.311 ( 4.665 0.000 5.335) 7.087 4.580 ( -6.925 -0.000 15.952) 17.390 4.817 ( 10.900 0.000 -15.563) 19.001 5.634 ( -2.506 -0.000 5.561) 6.099 5.740 ( 4.146 0.000 -6.455) 7.672 8.067 ( -11.140 -0.000 15.007) 18.690 8.423 ( 10.875 0.000 -14.704) 18.289 11.286 ( -7.923 -0.000 3.586) 8.696 11.698 ( 5.804 0.000 3.650) 6.856 13.232 ( -7.975 -0.000 -13.109) 15.344 13.325 ( -14.159 -0.000 11.722) 18.381 17.101 ( -9.823 -0.000 13.853) 16.982 17.212 ( 1.071 0.000 5.581) 5.682 17.614 ( -0.863 -0.000 1.053) 1.362 18.205 ( 16.593 0.000 -5.619) 17.519 ======================= Grid point 424 (216/250) ======================= q-point: ( 0.22 0.11 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.315 -1.005 1.761) 2.052 1.588 ( 4.754 0.229 -3.596) 5.965 1.760 ( 1.049 -0.315 3.342) 3.517 1.844 ( 2.170 -2.589 -6.735) 7.535 2.049 ( 3.091 2.934 -5.658) 7.083 2.256 ( 0.713 0.346 3.966) 4.045 2.474 ( -3.858 0.649 -2.082) 4.432 2.886 ( -3.432 0.125 -5.209) 6.240 2.946 ( 2.177 -0.810 6.945) 7.323 3.411 ( 3.491 0.039 3.816) 5.172 4.620 ( -6.969 0.754 14.375) 15.993 4.838 ( 11.209 -1.551 -15.791) 19.427 5.657 ( -0.999 0.358 4.748) 4.865 5.742 ( 3.373 -1.114 -5.593) 6.626 8.060 ( -10.630 -1.404 14.700) 18.195 8.441 ( 10.812 -0.019 -14.544) 18.122 11.235 ( -6.159 -0.058 7.395) 9.624 11.789 ( 3.525 1.304 3.201) 4.937 13.019 ( -8.525 0.363 -6.954) 11.008 13.180 ( -14.444 1.686 4.385) 15.189 17.092 ( -11.449 -1.658 14.445) 18.507 17.282 ( 0.974 1.378 7.327) 7.519 17.644 ( 2.580 -2.209 -0.935) 3.523 18.387 ( 14.333 -0.069 -2.710) 14.587 ======================= Grid point 425 (217/250) ======================= q-point: ( 0.33 0.11 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.090 -0.852 3.572) 3.674 1.585 ( -0.603 1.985 -0.120) 2.078 1.778 ( 1.888 -0.028 -3.720) 4.172 1.871 ( 3.309 -5.380 -6.451) 9.028 2.016 ( 3.696 4.029 -1.738) 5.738 2.252 ( -0.990 3.542 1.037) 3.821 2.471 ( 0.801 -1.873 3.770) 4.285 2.769 ( -4.950 0.776 -5.810) 7.672 3.063 ( 2.993 -1.280 6.541) 7.306 3.470 ( 1.822 0.358 1.231) 2.228 4.627 ( -8.061 1.484 13.354) 15.669 4.870 ( 10.448 -1.923 -15.268) 18.600 5.671 ( 0.663 1.365 1.132) 1.893 5.766 ( 1.670 -1.962 -1.212) 2.848 8.075 ( -9.752 -2.023 14.960) 17.972 8.455 ( 10.584 0.813 -13.914) 17.501 11.260 ( -2.763 -1.644 9.061) 9.615 11.808 ( -0.542 2.124 0.448) 2.238 12.867 ( -7.790 -0.383 -1.174) 7.887 13.008 ( -8.397 1.573 -0.328) 8.550 17.093 ( -10.722 -3.045 13.465) 17.480 17.329 ( 0.642 2.857 6.190) 6.847 17.705 ( 2.874 -2.717 -1.604) 4.268 18.536 ( 9.789 0.713 -1.788) 9.977 ======================= Grid point 426 (218/250) ======================= q-point: ( 0.44 0.11 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.970 -0.322 5.952) 6.039 1.551 ( -2.395 2.042 4.531) 5.517 1.760 ( 4.770 2.193 -6.734) 8.539 1.931 ( 3.829 -5.053 -7.050) 9.481 2.005 ( 1.341 1.568 -2.376) 3.146 2.203 ( -1.072 4.391 3.688) 5.834 2.557 ( 1.485 -1.032 3.016) 3.516 2.644 ( -4.001 -0.383 -3.142) 5.102 3.159 ( 1.885 0.095 4.127) 4.538 3.473 ( -0.446 0.295 -1.557) 1.646 4.608 ( -9.703 1.922 14.400) 17.469 4.894 ( 9.662 -1.376 -14.613) 17.572 5.670 ( 1.196 1.362 -0.129) 1.818 5.797 ( -0.054 -0.791 0.965) 1.249 8.109 ( -8.932 -1.561 15.716) 18.144 8.461 ( 10.477 2.110 -12.959) 16.797 11.341 ( -0.247 -2.490 5.162) 5.736 11.746 ( -2.607 0.242 -3.573) 4.429 12.799 ( -5.437 -1.953 4.385) 7.253 12.928 ( -1.175 0.603 0.408) 1.382 17.115 ( -8.711 -4.017 11.318) 14.837 17.346 ( 0.609 3.307 4.009) 5.233 17.751 ( 1.884 -1.465 -1.428) 2.781 18.595 ( 4.738 1.992 -4.159) 6.612 ======================= Grid point 427 (219/250) ======================= q-point: (-0.44 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -1.062 1.115 7.206) 7.369 1.569 ( -2.200 0.671 9.922) 10.185 1.741 ( 6.638 4.352 -6.016) 9.960 1.947 ( 2.534 1.407 -6.853) 7.441 1.967 ( -0.670 -3.461 -6.368) 7.279 2.189 ( -1.102 2.325 5.012) 5.634 2.498 ( -3.664 -0.405 -4.176) 5.571 2.713 ( 3.336 -1.822 6.697) 7.700 3.167 ( -0.202 2.699 -1.642) 3.165 3.435 ( -2.639 -0.570 -1.822) 3.257 4.579 ( -10.829 2.286 16.319) 19.718 4.905 ( 8.805 -0.443 -13.733) 16.319 5.671 ( 1.083 1.425 0.639) 1.901 5.796 ( -1.367 0.651 0.908) 1.765 8.145 ( -8.811 -0.216 16.448) 18.661 8.459 ( 10.500 3.270 -12.153) 16.390 11.363 ( -0.527 -0.488 -3.011) 3.096 11.702 ( -1.790 -4.320 -5.403) 7.146 12.863 ( 0.773 -4.532 7.581) 8.866 12.960 ( 2.356 -1.093 4.424) 5.131 17.152 ( -6.639 -4.299 8.303) 11.468 17.341 ( 0.528 3.066 1.896) 3.643 17.767 ( 1.021 0.353 -0.679) 1.276 18.536 ( -0.160 3.907 -7.808) 8.733 ======================= Grid point 428 (220/250) ======================= q-point: (-0.33 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -0.123 3.296 6.411) 7.209 1.630 ( -1.175 1.441 7.199) 7.436 1.713 ( 3.839 4.305 -4.079) 7.065 1.877 ( -1.909 2.862 -0.095) 3.442 1.957 ( 1.823 -2.580 -5.876) 6.671 2.194 ( -1.520 -1.007 0.984) 2.072 2.456 ( 0.072 -2.038 -1.412) 2.480 2.846 ( 3.575 -0.956 7.299) 8.183 3.070 ( -2.038 3.153 -6.690) 7.671 3.382 ( -3.933 -0.266 -1.307) 4.153 4.551 ( -11.280 2.510 17.773) 21.199 4.897 ( 8.033 0.704 -13.299) 15.553 5.674 ( -0.075 1.815 2.406) 3.015 5.768 ( -0.850 1.237 -0.515) 1.587 8.164 ( -9.400 1.347 16.686) 19.199 8.449 ( 10.316 3.831 -12.049) 16.318 11.332 ( 1.713 -0.967 -5.181) 5.542 11.665 ( -4.512 -4.879 -6.574) 9.348 12.993 ( 2.202 -1.199 6.980) 7.417 13.151 ( 8.431 -9.425 5.082) 13.629 17.178 ( -5.461 -3.279 5.254) 8.257 17.319 ( -0.330 2.474 0.259) 2.509 17.767 ( 1.216 1.702 0.531) 2.158 18.357 ( -4.369 6.421 -9.753) 12.468 ======================= Grid point 429 (221/250) ======================= q-point: (-0.22 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.408 3.582 5.591) 6.652 1.543 ( 1.554 8.537 -8.056) 11.840 1.720 ( -1.838 -0.728 4.058) 4.514 1.829 ( -2.827 2.648 2.838) 4.802 1.997 ( 3.053 -2.289 0.789) 3.896 2.178 ( -2.453 -1.737 -1.782) 3.495 2.535 ( 4.816 -3.602 2.367) 6.464 2.916 ( -2.652 -0.564 -6.735) 7.260 2.984 ( 3.013 1.811 5.468) 6.500 3.301 ( -4.791 0.897 -2.454) 5.457 4.529 ( -11.226 2.401 18.357) 21.651 4.870 ( 8.070 1.617 -13.593) 15.890 5.663 ( -2.713 2.116 4.836) 5.936 5.744 ( 2.031 0.931 -3.168) 3.877 8.156 ( -10.206 2.358 16.512) 19.554 8.431 ( 10.030 3.502 -12.711) 16.566 11.357 ( 4.447 -2.116 -2.852) 5.691 11.582 ( -6.702 -3.959 -5.572) 9.573 13.110 ( 0.470 -1.537 11.260) 11.374 13.422 ( 9.575 -11.155 -5.228) 15.603 17.172 ( -5.417 -0.950 4.253) 6.952 17.270 ( -2.116 2.164 -0.905) 3.159 17.780 ( 1.355 1.666 2.854) 3.572 18.109 ( -4.141 7.929 -9.566) 13.097 ======================= Grid point 430 (222/250) ======================= q-point: (-0.11 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -5.298 2.896 5.658) 8.275 1.411 ( 8.279 6.752 -10.001) 14.634 1.740 ( -0.592 0.284 3.915) 3.969 1.775 ( -2.735 1.863 0.804) 3.406 2.090 ( 3.031 -1.782 3.457) 4.931 2.148 ( -1.952 -1.464 -2.005) 3.158 2.684 ( 5.187 -2.959 3.922) 7.144 2.802 ( -4.170 -1.946 -8.212) 9.413 3.082 ( 4.093 1.335 6.813) 8.059 3.185 ( -5.177 1.622 -3.646) 6.537 4.519 ( -10.276 1.698 17.985) 20.784 4.839 ( 8.934 1.818 -14.101) 16.792 5.641 ( -3.756 1.543 5.616) 6.930 5.740 ( 3.756 0.724 -4.754) 6.102 8.128 ( -10.895 2.432 16.112) 19.601 8.414 ( 10.159 2.298 -13.624) 17.150 11.445 ( 4.239 -2.493 0.520) 4.945 11.484 ( -5.894 -2.408 -3.526) 7.278 13.244 ( -2.968 -2.523 15.343) 15.830 13.544 ( 3.483 -7.771 -14.793) 17.069 17.137 ( -6.138 1.264 6.959) 9.365 17.204 ( -2.149 1.678 -0.722) 2.821 17.767 ( -8.985 2.610 7.175) 11.791 17.957 ( 11.157 4.691 -11.291) 16.552 ======================= Grid point 433 (223/250) ======================= q-point: ( 0.22 0.22 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 2.063 0.000 1.613) 2.618 1.634 ( 3.073 0.000 0.246) 3.083 1.763 ( 2.517 0.000 -10.559) 10.855 1.784 ( -0.367 -0.000 0.339) 0.500 2.076 ( 5.081 0.000 -6.304) 8.097 2.313 ( -0.481 -0.000 6.049) 6.068 2.433 ( -0.872 -0.000 1.926) 2.114 2.779 ( -5.045 -0.000 -5.770) 7.664 3.046 ( 3.788 0.000 6.459) 7.488 3.474 ( 2.095 0.000 0.872) 2.269 4.650 ( -8.659 -0.000 14.470) 16.863 4.842 ( 11.882 0.000 -16.384) 20.239 5.707 ( 0.324 0.000 5.688) 5.697 5.723 ( 2.892 0.000 -5.758) 6.443 8.048 ( -9.289 -0.000 15.241) 17.849 8.466 ( 11.318 0.000 -13.893) 17.920 11.238 ( -4.249 -0.000 9.442) 10.354 11.835 ( -1.078 -0.000 0.151) 1.088 12.862 ( -8.333 -0.000 -1.620) 8.489 13.029 ( -10.278 -0.000 0.507) 10.291 17.056 ( -11.687 -0.000 15.533) 19.439 17.374 ( 0.021 0.000 8.155) 8.155 17.662 ( 4.028 0.000 -2.452) 4.715 18.546 ( 10.892 0.000 -2.133) 11.099 ======================= Grid point 434 (224/250) ======================= q-point: ( 0.33 0.22 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 1.911 -0.131 2.231) 2.940 1.634 ( 0.816 4.305 1.591) 4.661 1.770 ( 2.329 -0.726 -3.370) 4.160 1.783 ( 2.768 -5.416 -5.500) 8.200 2.065 ( 4.370 1.888 -7.708) 9.059 2.317 ( -1.753 3.676 4.369) 5.972 2.511 ( 2.796 -2.204 6.526) 7.434 2.643 ( -6.395 0.141 -5.731) 8.588 3.157 ( 3.843 -0.096 5.185) 6.454 3.477 ( -0.205 0.059 -3.233) 3.240 4.646 ( -10.185 0.933 15.169) 18.295 4.865 ( 11.677 -0.754 -15.761) 19.630 5.705 ( 2.163 1.173 -2.830) 3.750 5.773 ( 0.522 -0.948 4.015) 4.159 8.080 ( -7.705 -0.662 16.275) 18.019 8.498 ( 11.574 0.824 -12.897) 17.349 11.288 ( -2.072 -1.363 8.357) 8.717 11.757 ( -5.412 0.380 -5.620) 7.811 12.766 ( -7.315 -0.703 4.115) 8.422 12.940 ( -2.691 0.272 0.740) 2.804 17.053 ( -10.131 -1.187 15.248) 18.346 17.422 ( -0.754 2.180 6.413) 6.815 17.707 ( 3.733 -1.520 -2.020) 4.508 18.634 ( 6.298 0.909 -4.262) 7.658 ======================= Grid point 435 (225/250) ======================= q-point: ( 0.44 0.22 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.892 -0.411 5.043) 5.137 1.628 ( 0.130 3.575 6.368) 7.304 1.771 ( 2.429 -1.355 -4.124) 4.974 1.858 ( 4.723 -3.661 -4.710) 7.609 2.016 ( 4.538 3.008 -9.950) 11.342 2.275 ( -2.796 3.441 3.437) 5.610 2.492 ( -6.128 -0.031 -4.868) 7.826 2.663 ( 3.982 -2.004 8.226) 9.356 3.226 ( 1.991 1.885 1.138) 2.969 3.415 ( -2.833 -0.877 -5.202) 5.988 4.629 ( -10.953 1.559 16.732) 20.059 4.893 ( 11.118 -0.464 -14.773) 18.495 5.702 ( 2.138 0.949 -1.306) 2.679 5.809 ( -0.996 0.408 3.557) 3.716 8.140 ( -6.910 -0.211 17.239) 18.573 8.528 ( 11.487 2.126 -11.996) 16.745 11.336 ( -1.898 -1.456 2.287) 3.310 11.617 ( -4.795 -2.261 -8.979) 10.427 12.766 ( -4.085 -2.781 9.465) 10.678 12.952 ( 1.447 -0.046 3.048) 3.375 17.079 ( -7.740 -1.701 13.592) 15.733 17.422 ( -1.104 3.093 3.996) 5.172 17.757 ( 2.688 -0.953 -0.381) 2.877 18.616 ( 2.414 2.376 -8.336) 8.998 ======================= Grid point 436 (226/250) ======================= q-point: (-0.44 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.275 0.412 8.519) 8.533 1.654 ( -1.466 2.120 8.506) 8.888 1.793 ( 4.218 -0.964 -5.515) 7.010 1.912 ( 4.411 -0.045 -2.508) 5.075 1.933 ( 2.572 3.111 -10.167) 10.939 2.218 ( -3.113 2.109 0.553) 3.801 2.404 ( -2.831 -2.158 -1.878) 4.025 2.820 ( 4.382 -1.056 8.072) 9.245 3.152 ( -2.940 3.397 -7.086) 8.390 3.364 ( -2.487 -1.227 -1.268) 3.049 4.610 ( -11.255 2.097 17.979) 21.315 4.912 ( 10.444 0.466 -14.069) 17.528 5.714 ( 2.082 1.236 0.068) 2.422 5.801 ( -2.268 1.477 2.657) 3.792 8.196 ( -7.337 1.162 17.540) 19.048 8.542 ( 10.834 3.383 -11.752) 16.338 11.308 ( -1.146 -0.868 -4.295) 4.530 11.533 ( -4.266 -5.350 -7.630) 10.249 12.896 ( 1.092 -5.830 10.450) 12.016 13.022 ( 1.924 -1.323 5.252) 5.748 17.122 ( -5.298 -1.361 11.088) 12.363 17.391 ( -1.654 3.072 1.840) 3.944 17.797 ( 1.898 0.704 1.918) 2.789 18.493 ( -0.512 4.385 -11.968) 12.756 ======================= Grid point 437 (227/250) ======================= q-point: (-0.33 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -1.171 3.362 10.155) 10.761 1.687 ( -1.350 0.314 5.659) 5.826 1.756 ( 5.245 6.468 -11.809) 14.450 1.856 ( -0.150 -1.140 -4.980) 5.111 1.953 ( 0.566 -0.322 4.081) 4.133 2.156 ( -2.033 0.190 -2.407) 3.156 2.449 ( 3.917 -3.303 2.327) 5.627 2.901 ( -2.297 -0.487 -5.006) 5.529 3.031 ( 0.380 1.878 2.966) 3.531 3.319 ( -3.010 0.521 -1.968) 3.634 4.592 ( -11.356 2.435 18.360) 21.725 4.912 ( 10.039 1.648 -14.094) 17.382 5.722 ( -0.026 2.310 2.353) 3.297 5.771 ( -0.694 1.283 0.113) 1.463 8.221 ( -8.461 2.727 17.068) 19.244 8.528 ( 9.741 4.064 -12.366) 16.258 11.295 ( 1.980 -2.728 -3.567) 4.908 11.465 ( -5.743 -5.227 -6.203) 9.939 13.062 ( 1.120 -2.864 7.794) 8.379 13.160 ( 3.237 -8.436 4.085) 9.916 17.161 ( -3.590 0.047 8.920) 9.615 17.334 ( -2.571 2.802 0.012) 3.803 17.832 ( 1.303 2.269 5.115) 5.745 18.289 ( -1.501 6.336 -13.705) 15.173 ======================= Grid point 438 (228/250) ======================= q-point: (-0.22 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -5.482 5.208 10.350) 12.818 1.604 ( 6.760 8.107 -13.507) 17.142 1.736 ( -0.756 -0.685 5.056) 5.158 1.813 ( -1.937 0.651 -2.091) 2.924 2.027 ( 0.523 -2.875 4.725) 5.556 2.120 ( 0.669 -0.506 -3.384) 3.486 2.606 ( 6.567 -3.041 5.290) 8.964 2.752 ( -6.825 -1.833 -9.551) 11.881 3.116 ( 3.421 1.248 7.349) 8.201 3.229 ( -3.863 1.735 -3.921) 5.771 4.572 ( -10.998 2.323 17.865) 21.107 4.895 ( 10.246 2.510 -14.581) 17.997 5.694 ( -3.507 2.557 4.524) 6.270 5.763 ( 2.980 1.092 -2.944) 4.329 8.207 ( -9.702 3.720 16.208) 19.253 8.491 ( 9.048 3.719 -13.362) 16.560 11.352 ( -1.964 -4.788 1.013) 5.273 11.408 ( 0.030 -3.600 -4.726) 5.941 13.169 ( -2.118 -3.216 9.791) 10.521 13.317 ( 1.488 -9.552 -4.523) 10.673 17.180 ( -3.394 2.060 8.459) 9.344 17.258 ( -2.700 2.484 -0.771) 3.749 17.854 ( -3.828 4.095 8.859) 10.483 18.092 ( 5.353 5.670 -14.190) 16.192 ======================= Grid point 439 (229/250) ======================= q-point: (-0.11 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -8.260 5.646 5.368) 11.354 1.536 ( 9.782 5.310 -8.525) 14.020 1.748 ( -2.375 1.382 1.263) 3.025 1.801 ( 0.995 -0.201 4.021) 4.147 2.071 ( -0.953 -2.805 -2.891) 4.140 2.150 ( 3.891 -0.749 0.552) 4.001 2.618 ( -6.208 -3.612 -6.725) 9.840 2.770 ( 4.524 -1.467 6.125) 7.754 3.102 ( -4.496 1.949 -4.686) 6.780 3.216 ( 3.914 1.007 5.878) 7.133 4.561 ( -9.585 1.465 16.589) 19.215 4.873 ( 10.659 2.756 -14.897) 18.524 5.658 ( -3.537 1.689 4.575) 6.025 5.763 ( 3.682 1.296 -4.193) 5.729 8.161 ( -10.701 3.771 15.339) 19.079 8.453 ( 9.271 2.429 -14.162) 17.100 11.318 ( -7.746 -3.405 1.296) 8.560 11.515 ( 6.737 -3.442 1.286) 7.674 13.254 ( -6.805 -4.567 10.622) 13.416 13.331 ( -3.416 -6.121 -10.152) 12.337 17.169 ( -4.692 3.022 8.853) 10.465 17.202 ( -1.724 1.810 1.657) 2.999 17.760 ( -6.713 5.539 4.324) 9.718 18.092 ( 13.540 2.501 -7.392) 15.628 ======================= Grid point 443 (230/250) ======================= q-point: ( 0.33 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 2.328 0.000 2.108) 3.141 1.687 ( -3.059 -0.000 3.968) 5.010 1.765 ( 1.062 0.000 -0.188) 1.078 1.784 ( 9.209 0.000 -3.653) 9.907 2.060 ( 5.727 0.000 -11.054) 12.450 2.323 ( -3.510 -0.000 0.718) 3.582 2.493 ( -7.508 -0.000 -5.231) 9.151 2.633 ( 4.873 0.000 10.018) 11.140 3.251 ( 3.321 0.000 3.655) 4.939 3.402 ( -3.313 -0.000 -7.891) 8.558 4.649 ( -11.317 -0.000 17.160) 20.556 4.886 ( 12.368 0.000 -15.521) 19.846 5.714 ( 2.082 0.000 -2.106) 2.961 5.815 ( -0.398 -0.000 4.688) 4.705 8.137 ( -6.165 -0.000 17.593) 18.642 8.555 ( 11.938 0.000 -11.964) 16.902 11.313 ( -2.541 -0.000 5.303) 5.880 11.591 ( -6.139 -0.000 -11.226) 12.795 12.732 ( -5.588 -0.000 9.611) 11.117 12.952 ( 1.232 0.000 2.824) 3.081 17.060 ( -8.056 -0.000 15.335) 17.323 17.466 ( -2.303 -0.000 4.895) 5.410 17.740 ( 4.054 0.000 -0.450) 4.079 18.647 ( 2.884 0.000 -8.205) 8.697 ======================= Grid point 444 (231/250) ======================= q-point: ( 0.44 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 2.524 -0.600 5.309) 5.909 1.684 ( -2.363 -0.576 3.767) 4.484 1.778 ( 1.113 1.253 2.145) 2.722 1.902 ( 6.781 -0.639 0.250) 6.816 2.019 ( 6.413 2.335 -13.554) 15.175 2.260 ( -2.606 0.926 -3.354) 4.347 2.359 ( -6.281 -1.154 -1.789) 6.632 2.800 ( 4.920 -0.457 9.345) 10.571 3.229 ( -5.009 2.504 -8.407) 10.102 3.324 ( 0.082 -1.726 -0.087) 1.730 4.647 ( -11.490 0.801 18.247) 21.578 4.919 ( 12.293 0.144 -14.944) 19.351 5.732 ( 2.173 0.272 -0.234) 2.202 5.833 ( -1.918 0.818 3.691) 4.240 8.217 ( -6.023 0.441 18.250) 19.223 8.603 ( 11.362 1.377 -11.650) 16.331 11.295 ( -4.233 -0.153 0.214) 4.241 11.428 ( -3.228 -2.579 -11.631) 12.343 12.793 ( -2.317 -2.137 12.884) 13.264 13.007 ( 1.742 -0.223 3.771) 4.159 17.104 ( -5.192 -0.268 13.817) 14.763 17.452 ( -3.169 1.441 2.547) 4.313 17.805 ( 3.480 0.061 2.704) 4.407 18.567 ( 0.600 1.509 -12.246) 12.353 ======================= Grid point 445 (232/250) ======================= q-point: ( 0.56 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 1.464 -0.238 9.368) 9.484 1.696 ( -1.940 -0.442 3.441) 3.975 1.802 ( 0.900 0.385 1.282) 1.613 1.926 ( 6.133 5.028 -14.337) 16.385 1.959 ( -1.411 0.203 3.009) 3.329 2.170 ( -1.751 0.375 -6.197) 6.450 2.373 ( 3.557 -2.669 3.579) 5.708 2.893 ( -1.560 -0.188 -3.849) 4.157 3.073 ( -2.669 1.371 1.586) 3.394 3.325 ( -1.114 -0.012 -1.476) 1.849 4.641 ( -11.560 1.451 18.315) 21.707 4.945 ( 11.854 0.956 -14.815) 18.998 5.760 ( 2.313 0.761 0.591) 2.506 5.811 ( -3.070 1.679 2.837) 4.505 8.279 ( -7.090 1.789 17.874) 19.312 8.617 ( 9.848 2.798 -12.242) 15.959 11.237 ( -2.717 -1.675 -2.043) 3.789 11.344 ( -2.507 -4.129 -8.377) 9.670 12.940 ( 0.370 -4.789 11.101) 12.096 13.067 ( 0.502 -1.182 3.726) 3.941 17.168 ( -2.394 0.368 11.498) 11.751 17.396 ( -3.649 1.942 0.443) 4.157 17.880 ( 2.658 1.440 6.311) 6.998 18.410 ( -0.673 3.310 -14.843) 15.223 ======================= Grid point 446 (233/250) ======================= q-point: (-0.33 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -3.294 3.243 12.638) 13.457 1.696 ( -1.487 -0.723 -0.378) 1.696 1.781 ( 0.409 0.632 -6.681) 6.724 1.824 ( 5.159 5.168 -7.852) 10.723 1.977 ( -3.709 -1.326 7.630) 8.587 2.115 ( 2.563 -0.352 -6.024) 6.556 2.541 ( 7.771 -2.147 6.850) 10.579 2.717 ( -8.736 -0.952 -10.983) 14.066 3.141 ( 2.323 0.783 8.301) 8.655 3.265 ( -2.719 1.127 -4.008) 4.973 4.624 ( -11.535 1.804 17.618) 21.136 4.952 ( 11.485 1.931 -15.245) 19.184 5.758 ( -3.425 2.419 3.125) 5.229 5.790 ( 2.277 1.006 -0.547) 2.548 8.297 ( -8.648 3.302 16.639) 19.041 8.585 ( 8.207 3.547 -13.346) 16.064 11.229 ( -5.772 -4.721 2.434) 7.844 11.317 ( 3.443 -3.489 -6.702) 8.303 13.087 ( -0.359 -4.343 6.120) 7.513 13.123 ( -0.994 -4.628 2.470) 5.339 17.230 ( -0.869 1.835 9.430) 9.646 17.317 ( -3.510 2.105 -0.859) 4.182 17.951 ( 0.247 3.474 9.931) 10.524 18.216 ( 1.185 4.103 -15.611) 16.184 ======================= Grid point 447 (234/250) ======================= q-point: (-0.22 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -9.865 6.884 9.655) 15.425 1.650 ( 3.555 1.822 -8.117) 9.047 1.777 ( 1.769 -0.492 1.870) 2.621 1.783 ( 1.289 1.684 -2.703) 3.435 1.998 ( -3.435 -2.276 2.146) 4.646 2.144 ( 5.768 -0.176 -2.560) 6.313 2.539 ( -7.177 -2.698 -7.088) 10.441 2.735 ( 6.193 -1.227 8.238) 10.379 3.151 ( -3.968 1.882 -5.195) 6.802 3.236 ( 2.426 0.545 5.964) 6.462 4.601 ( -10.888 1.630 16.336) 19.699 4.941 ( 11.324 2.546 -15.686) 19.514 5.706 ( -3.830 2.014 3.119) 5.334 5.800 ( 2.869 1.621 -1.814) 3.761 8.264 ( -10.152 4.232 15.192) 18.755 8.524 ( 7.507 3.102 -14.219) 16.375 11.221 ( -6.720 -4.151 3.889) 8.804 11.413 ( 6.801 -4.543 -0.845) 8.222 13.142 ( -4.207 -4.119 3.392) 6.795 13.179 ( -2.738 -5.721 -1.457) 6.508 17.234 ( -2.834 2.100 1.032) 3.675 17.270 ( -1.167 3.366 6.708) 7.595 17.910 ( -5.985 6.218 2.911) 9.108 18.151 ( 9.533 2.061 -5.289) 11.095 ======================= Grid point 448 (235/250) ======================= q-point: (-0.11 0.33 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -8.767 6.245 5.389) 12.037 1.621 ( 2.891 2.193 -3.833) 5.278 1.769 ( 2.295 1.947 -0.578) 3.065 1.831 ( -1.118 -1.966 4.825) 5.329 1.983 ( -0.108 -3.262 -6.827) 7.567 2.200 ( 3.720 0.181 -0.481) 3.755 2.465 ( -2.742 -2.581 -2.059) 4.292 2.873 ( 1.821 -0.473 6.551) 6.816 3.022 ( -3.006 2.356 -4.738) 6.086 3.319 ( 2.759 -0.124 5.114) 5.812 4.587 ( -9.278 0.692 14.718) 17.412 4.920 ( 10.971 2.702 -15.621) 19.279 5.665 ( -3.082 1.166 2.965) 4.433 5.797 ( 2.852 1.880 -2.877) 4.466 8.196 ( -11.109 4.242 14.258) 18.566 8.468 ( 7.995 1.693 -14.618) 16.747 11.223 ( -5.042 -2.061 6.062) 8.150 11.573 ( 6.094 -4.740 2.596) 8.145 13.118 ( -6.414 -3.753 -4.277) 8.574 13.168 ( -7.239 -4.356 1.897) 8.658 17.201 ( -0.740 0.537 1.900) 2.108 17.247 ( -4.970 4.933 8.256) 10.826 17.784 ( -2.449 4.876 -0.157) 5.459 18.254 ( 10.946 1.671 -0.413) 11.080 ======================= Grid point 453 (236/250) ======================= q-point: ( 0.44 0.44 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 3.539 0.000 7.256) 8.073 1.676 ( -0.813 -0.000 0.672) 1.055 1.827 ( -1.277 -0.000 7.179) 7.292 1.954 ( -2.663 -0.000 1.903) 3.273 2.003 ( 7.761 0.000 -14.290) 16.262 2.169 ( -2.623 -0.000 -8.605) 8.995 2.336 ( 3.915 0.000 4.697) 6.114 2.891 ( -1.228 -0.000 -3.297) 3.518 3.091 ( -4.167 -0.000 0.999) 4.285 3.324 ( -0.123 -0.000 -1.212) 1.218 4.659 ( -11.631 -0.000 18.253) 21.644 4.957 ( 12.564 0.000 -15.140) 19.674 5.768 ( 2.215 0.000 1.074) 2.461 5.834 ( -2.990 -0.000 2.803) 4.098 8.302 ( -6.576 -0.000 18.281) 19.428 8.653 ( 9.979 0.000 -12.249) 15.799 11.218 ( -7.321 -0.000 1.059) 7.397 11.287 ( 1.494 0.000 -11.589) 11.685 12.879 ( -0.859 -0.000 12.912) 12.940 13.053 ( 0.639 0.000 2.599) 2.676 17.173 ( -2.031 -0.000 12.295) 12.462 17.421 ( -4.209 -0.000 0.524) 4.241 17.899 ( 3.346 0.000 6.778) 7.559 18.450 ( -0.508 -0.000 -14.984) 14.992 ======================= Grid point 454 (237/250) ======================= q-point: (-0.44 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 2.271 0.129 9.395) 9.667 1.657 ( -1.399 -1.547 -4.198) 4.688 1.834 ( -4.814 4.028 3.971) 7.427 1.924 ( -4.345 -2.342 5.442) 7.347 1.972 ( 6.828 4.179 -9.046) 12.080 2.084 ( 1.302 -2.239 -8.134) 8.537 2.505 ( 8.922 -0.751 8.123) 12.089 2.703 ( -9.847 -0.258 -11.986) 15.514 3.154 ( 1.368 0.259 8.968) 9.075 3.284 ( -1.940 0.367 -3.950) 4.416 4.655 ( -11.780 0.661 17.367) 20.995 4.985 ( 12.204 0.689 -15.722) 19.915 5.802 ( -3.539 1.000 2.167) 4.268 5.808 ( 1.995 0.417 1.159) 2.345 8.356 ( -8.095 1.324 17.148) 19.009 8.650 ( 7.844 1.496 -13.522) 15.704 11.142 ( -7.382 -1.963 3.486) 8.397 11.252 ( 4.805 -1.489 -8.002) 9.452 12.989 ( -0.832 -2.254 9.444) 9.744 13.071 ( -0.823 -0.851 0.472) 1.275 17.263 ( 0.591 0.720 9.831) 9.875 17.354 ( -4.102 0.807 -0.928) 4.283 18.013 ( 2.593 1.342 10.341) 10.745 18.286 ( -0.937 1.457 -15.961) 16.054 ======================= Grid point 455 (238/250) ======================= q-point: (-0.33 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -5.325 2.247 3.193) 6.604 1.631 ( -1.223 -0.994 1.360) 2.082 1.742 ( -3.344 0.187 0.265) 3.359 1.899 ( 4.976 5.012 -6.195) 9.394 1.971 ( -3.757 -0.357 4.644) 5.984 2.119 ( 6.303 -2.060 -3.577) 7.534 2.485 ( -7.873 -1.599 -8.093) 11.404 2.713 ( 7.029 -0.511 9.904) 12.156 3.191 ( -3.016 1.268 -5.272) 6.205 3.242 ( 0.741 -0.024 6.294) 6.338 4.634 ( -11.725 0.969 16.134) 19.968 4.991 ( 11.699 1.417 -16.473) 20.255 5.750 ( -4.130 1.409 2.033) 4.814 5.836 ( 2.160 1.141 0.116) 2.446 8.354 ( -9.908 2.793 15.303) 18.443 8.593 ( 6.129 2.227 -14.633) 16.020 11.130 ( -5.456 -2.835 6.849) 9.205 11.310 ( 6.592 -3.326 -3.356) 8.110 13.062 ( -2.361 -2.353 -1.401) 3.616 13.067 ( -2.350 -3.094 4.130) 5.670 17.277 ( -3.116 1.331 -1.104) 3.564 17.342 ( 1.590 2.175 7.007) 7.507 18.051 ( -3.811 4.912 -1.690) 6.443 18.181 ( 5.351 0.191 -0.759) 5.408 ======================= Grid point 456 (239/250) ======================= q-point: (-0.22 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -8.575 5.150 2.046) 10.210 1.615 ( -4.131 -1.347 2.839) 5.190 1.771 ( 2.149 -2.564 0.142) 3.348 1.857 ( 1.757 4.237 -4.420) 6.370 1.918 ( -4.561 -1.101 -0.488) 4.717 2.205 ( 5.211 -0.370 0.033) 5.225 2.411 ( -0.047 -1.875 -1.746) 2.563 2.859 ( 0.697 -0.533 6.085) 6.148 3.087 ( -1.046 2.653 -3.237) 4.314 3.306 ( 0.707 -0.896 4.951) 5.081 4.606 ( -11.043 0.705 14.854) 18.523 4.977 ( 11.165 1.822 -16.802) 20.255 5.696 ( -3.858 1.246 2.176) 4.601 5.842 ( 1.920 1.634 -1.291) 2.832 8.297 ( -11.333 3.668 13.812) 18.239 8.512 ( 5.727 1.701 -15.045) 16.188 11.178 ( -2.136 -1.398 8.660) 9.029 11.445 ( 6.091 -5.256 1.111) 8.122 13.030 ( -3.779 -3.001 -3.335) 5.865 13.076 ( -4.675 -2.978 0.426) 5.560 17.222 ( -1.338 1.031 -0.432) 1.743 17.370 ( -0.171 4.509 5.122) 6.826 17.894 ( -2.915 3.844 -5.679) 7.452 18.294 ( 6.314 1.424 5.975) 8.809 ======================= Grid point 457 (240/250) ======================= q-point: (-0.11 -0.56 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -8.105 5.216 4.719) 10.731 1.609 ( -3.179 -0.996 1.857) 3.814 1.747 ( -6.032 -2.460 -4.016) 7.653 1.843 ( 3.302 -1.527 2.292) 4.300 1.925 ( 3.640 -0.477 -2.547) 4.468 2.252 ( 2.655 1.886 -0.892) 3.376 2.449 ( 2.869 -0.335 0.853) 3.012 2.835 ( -4.586 -1.498 -4.431) 6.551 3.069 ( 0.851 3.470 5.849) 6.854 3.382 ( 1.782 -1.539 4.107) 4.734 4.587 ( -9.796 -0.210 13.739) 16.875 4.952 ( 10.299 1.944 -16.287) 19.368 5.657 ( -2.727 0.550 2.054) 3.458 5.829 ( 1.501 1.687 -2.052) 3.051 8.213 ( -11.786 3.675 13.502) 18.295 8.448 ( 6.773 0.263 -14.820) 16.296 11.250 ( 0.119 0.785 8.650) 8.686 11.611 ( 4.516 -5.395 3.308) 7.775 12.967 ( -5.139 -1.736 -3.350) 6.375 13.028 ( -5.971 -2.685 -1.559) 6.729 17.214 ( 0.430 -0.270 1.159) 1.266 17.316 ( -4.226 6.434 5.153) 9.263 17.796 ( -0.359 2.157 -2.848) 3.591 18.415 ( 6.842 1.173 3.671) 7.853 ======================= Grid point 463 (241/250) ======================= q-point: (-0.44 -0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -2.370 -0.000 -8.697) 9.014 1.620 ( 1.441 0.000 8.122) 8.249 1.777 ( -10.295 -0.000 4.617) 11.283 1.951 ( -1.211 -0.000 6.132) 6.251 1.995 ( 2.260 0.000 -7.885) 8.202 2.068 ( 7.792 0.000 -2.918) 8.321 2.464 ( -8.359 -0.000 -8.792) 12.131 2.707 ( 7.319 0.000 10.485) 12.787 3.208 ( -2.275 -0.000 -5.983) 6.401 3.239 ( -0.293 -0.000 7.209) 7.215 4.646 ( -12.007 -0.000 16.021) 20.021 5.009 ( 11.814 0.000 -16.760) 20.505 5.768 ( -4.237 -0.000 1.589) 4.525 5.851 ( 1.881 0.000 0.881) 2.077 8.390 ( -9.871 -0.000 15.424) 18.312 8.622 ( 5.604 0.000 -14.893) 15.912 11.094 ( -4.833 -0.000 8.284) 9.590 11.267 ( 6.425 0.000 -4.626) 7.917 13.025 ( -2.517 -0.000 6.180) 6.673 13.036 ( -1.455 -0.000 -3.210) 3.524 17.294 ( -3.150 -0.000 -1.605) 3.535 17.370 ( 2.621 0.000 6.887) 7.369 18.131 ( -1.593 -0.000 -15.363) 15.446 18.166 ( 2.641 0.000 12.726) 12.997 ======================= Grid point 464 (242/250) ======================= q-point: (-0.33 -0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -1.838 -1.208 -9.560) 9.809 1.656 ( -12.167 2.814 13.250) 18.207 1.711 ( 1.911 -1.506 -0.744) 2.544 1.901 ( -10.698 0.039 0.605) 10.715 1.965 ( 5.338 2.771 -5.627) 8.236 2.177 ( 5.997 -1.328 2.409) 6.598 2.373 ( 1.797 -0.990 -2.110) 2.943 2.851 ( -0.207 -0.146 5.915) 5.921 3.142 ( 1.397 1.496 -2.168) 2.981 3.281 ( -1.858 -0.872 4.864) 5.280 4.618 ( -12.024 0.251 14.895) 19.144 5.008 ( 11.214 0.631 -17.498) 20.793 5.719 ( -4.316 0.527 1.709) 4.672 5.871 ( 1.231 0.679 -0.367) 1.453 8.363 ( -11.628 1.459 13.628) 17.974 8.544 ( 4.268 0.719 -15.561) 16.151 11.160 ( 0.252 -0.127 11.970) 11.973 11.340 ( 5.787 -2.668 -1.584) 6.566 12.980 ( -1.387 -1.044 -5.677) 5.936 13.025 ( -4.357 -1.097 2.629) 5.206 17.244 ( -1.338 0.552 -1.591) 2.151 17.449 ( 2.881 1.680 3.617) 4.919 17.965 ( -1.914 1.648 -12.302) 12.559 18.319 ( 2.971 0.493 11.958) 12.331 ======================= Grid point 465 (243/250) ======================= q-point: (-0.22 -0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -2.952 0.524 -5.626) 6.375 1.575 ( -9.808 0.701 10.399) 14.312 1.725 ( -12.456 -0.324 0.261) 12.463 1.771 ( 1.762 -2.989 0.445) 3.498 1.971 ( 5.781 2.919 -2.987) 7.132 2.283 ( 4.037 0.292 2.327) 4.669 2.441 ( 5.618 -0.348 0.776) 5.682 2.803 ( -5.775 -0.983 -4.456) 7.360 3.159 ( 0.528 3.733 5.455) 6.631 3.329 ( 0.476 -2.699 4.240) 5.048 4.584 ( -11.602 -0.084 14.256) 18.381 4.988 ( 10.464 1.003 -17.401) 20.330 5.672 ( -3.876 0.546 2.194) 4.487 5.862 ( 0.509 1.007 -1.748) 2.080 8.290 ( -12.544 2.343 12.937) 18.172 8.454 ( 4.589 0.225 -15.313) 15.988 11.283 ( 3.843 2.021 8.715) 9.737 11.474 ( 5.315 -5.365 3.608) 8.370 12.924 ( -1.176 -1.420 -5.714) 6.004 12.983 ( -5.208 -1.129 0.255) 5.335 17.219 ( 0.596 0.497 -1.058) 1.312 17.460 ( 0.894 4.592 0.805) 4.747 17.831 ( -1.206 0.894 -7.548) 7.696 18.446 ( 2.965 1.119 8.410) 8.988 ======================= Grid point 466 (244/250) ======================= q-point: (-0.11 -0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -5.495 2.765 1.619) 6.360 1.568 ( -5.607 -1.549 6.744) 8.906 1.594 ( -7.506 -2.706 1.831) 8.186 1.855 ( 2.609 -4.744 -0.073) 5.414 1.992 ( 4.955 2.549 -1.394) 5.744 2.294 ( 0.549 3.608 -2.493) 4.419 2.526 ( 4.742 0.907 2.300) 5.348 2.698 ( -4.374 -2.092 -5.265) 7.157 3.151 ( -2.244 1.992 4.625) 5.513 3.416 ( 1.289 -1.856 3.927) 4.531 4.562 ( -10.969 -0.899 14.118) 17.901 4.958 ( 9.329 1.181 -16.214) 18.743 5.643 ( -2.597 0.048 2.282) 3.457 5.835 ( -0.096 0.719 -2.198) 2.315 8.206 ( -12.247 2.397 13.574) 18.439 8.399 ( 6.477 -1.107 -14.377) 15.808 11.360 ( 2.769 1.525 3.111) 4.435 11.657 ( 6.060 -2.815 5.114) 8.414 12.879 ( -1.557 -0.371 -2.294) 2.797 12.929 ( -3.196 -0.656 -0.421) 3.290 17.230 ( 1.914 -0.388 -0.226) 1.966 17.379 ( -2.633 6.951 0.803) 7.477 17.774 ( 0.123 -0.468 -3.609) 3.641 18.522 ( 1.912 0.508 3.014) 3.606 ======================= Grid point 473 (245/250) ======================= q-point: (-0.33 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.322 0.000 -9.554) 9.559 1.609 ( -13.540 -0.000 13.621) 19.206 1.721 ( -14.861 -0.000 2.431) 15.058 1.726 ( 2.273 0.000 -1.270) 2.603 2.017 ( 5.830 0.000 -4.056) 7.102 2.279 ( 4.524 0.000 4.201) 6.173 2.435 ( 6.743 0.000 1.196) 6.848 2.791 ( -6.418 -0.000 -4.547) 7.865 3.241 ( 4.874 0.000 6.930) 8.472 3.260 ( -4.480 -0.000 2.659) 5.209 4.583 ( -12.241 -0.000 14.409) 18.906 5.001 ( 10.509 0.000 -17.783) 20.656 5.679 ( -4.263 -0.000 2.233) 4.813 5.875 ( 0.011 0.000 -1.631) 1.631 8.320 ( -12.893 -0.000 12.738) 18.124 8.457 ( 3.739 0.000 -15.583) 16.026 11.344 ( 7.352 0.000 14.529) 16.284 11.369 ( 3.715 0.000 -2.137) 4.286 12.906 ( 0.428 0.000 -7.121) 7.133 12.969 ( -5.189 -0.000 1.572) 5.422 17.227 ( 0.779 0.000 -1.878) 2.033 17.519 ( 2.890 0.000 -0.021) 2.890 17.843 ( -1.127 -0.000 -10.920) 10.978 18.461 ( 1.548 0.000 10.595) 10.707 ======================= Grid point 474 (246/250) ======================= q-point: (-0.22 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 1.077 -0.263 -7.738) 7.817 1.536 ( -12.001 0.969 11.650) 16.754 1.581 ( -12.951 -0.961 9.656) 16.183 1.759 ( 2.482 -2.288 -1.589) 3.731 2.051 ( 5.357 1.645 -3.311) 6.509 2.354 ( 2.022 1.102 1.827) 2.939 2.547 ( 6.348 0.654 2.547) 6.871 2.651 ( -5.864 -1.370 -6.308) 8.721 3.195 ( -4.944 1.302 1.492) 5.326 3.372 ( 2.075 -1.338 6.646) 7.090 4.547 ( -12.213 -0.334 14.706) 19.119 4.978 ( 9.495 0.403 -17.003) 19.479 5.646 ( -3.861 0.116 3.161) 4.991 5.846 ( -0.854 0.190 -2.886) 3.016 8.249 ( -13.135 0.920 13.137) 18.600 8.379 ( 5.040 -0.439 -14.737) 15.581 11.382 ( 2.268 0.308 -2.454) 3.356 11.610 ( 11.095 -0.913 9.962) 14.940 12.866 ( 1.684 -0.396 -5.155) 5.438 12.925 ( -2.780 0.054 2.302) 3.610 17.231 ( 2.417 0.178 -2.044) 3.170 17.516 ( 1.431 3.389 -3.129) 4.830 17.752 ( -0.063 -0.862 -7.307) 7.358 18.538 ( -1.166 0.537 5.630) 5.774 ======================= Grid point 475 (247/250) ======================= q-point: (-0.11 -0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -2.002 1.084 -2.282) 3.224 1.521 ( -3.318 -3.500 5.260) 7.136 1.546 ( -9.421 -0.289 14.599) 17.377 1.817 ( 1.462 -4.058 -1.019) 4.433 2.063 ( 3.562 1.667 -3.413) 5.207 2.314 ( -0.826 4.799 -3.215) 5.835 2.549 ( -2.543 -1.714 -3.586) 4.719 2.662 ( 4.206 0.407 3.955) 5.788 3.133 ( -4.021 -0.575 0.091) 4.063 3.443 ( -0.507 -0.729 3.587) 3.695 4.524 ( -11.995 -1.056 15.500) 19.628 4.945 ( 8.061 0.551 -15.321) 17.321 5.630 ( -2.796 -0.246 3.494) 4.482 5.804 ( -0.950 -0.307 -3.048) 3.208 8.183 ( -12.392 0.991 14.365) 18.997 8.348 ( 7.455 -1.675 -13.501) 15.513 11.379 ( 1.360 -0.638 -3.977) 4.251 11.801 ( 7.573 1.593 1.822) 7.950 12.870 ( 2.380 -0.257 -1.051) 2.614 12.954 ( 4.232 2.115 5.114) 6.967 17.252 ( 2.876 -0.299 -1.662) 3.335 17.423 ( -1.114 6.286 -3.571) 7.315 17.727 ( 0.837 -2.054 -4.166) 4.720 18.518 ( -5.014 -0.583 0.007) 5.047 ======================= Grid point 483 (248/250) ======================= q-point: (-0.22 -0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 2.924 0.000 -8.944) 9.410 1.487 ( -13.918 -0.000 14.538) 20.126 1.525 ( -7.252 -0.000 13.208) 15.068 1.768 ( 2.491 0.000 -0.999) 2.684 2.087 ( 2.943 0.000 -4.284) 5.198 2.391 ( 0.412 0.000 -0.433) 0.598 2.509 ( -3.691 -0.000 -5.050) 6.255 2.669 ( 5.021 0.000 4.442) 6.704 3.125 ( -5.087 -0.000 -1.197) 5.226 3.433 ( -0.509 -0.000 4.786) 4.813 4.511 ( -12.562 -0.000 15.861) 20.233 4.952 ( 8.073 0.000 -15.788) 17.733 5.628 ( -3.837 -0.000 4.511) 5.922 5.799 ( -0.990 -0.000 -3.978) 4.100 8.195 ( -13.011 -0.000 14.154) 19.225 8.327 ( 6.901 0.000 -13.701) 15.341 11.369 ( 1.730 0.000 -4.885) 5.182 11.823 ( 8.960 0.000 2.100) 9.202 12.865 ( 2.839 0.000 -1.581) 3.250 12.984 ( 7.036 0.000 5.297) 8.807 17.250 ( 3.221 0.000 -2.675) 4.187 17.515 ( 0.816 0.000 -6.006) 6.061 17.690 ( 1.858 0.000 -6.776) 7.027 18.512 ( -7.836 -0.000 1.464) 7.972 ======================= Grid point 484 (249/250) ======================= q-point: (-0.11 -0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 446 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 2.258 0.883 -5.969) 6.442 1.454 ( -9.618 -3.750 10.080) 14.428 1.597 ( -2.814 -0.621 15.010) 15.284 1.796 ( 0.841 -1.092 -0.660) 1.528 2.053 ( -0.766 0.486 -4.779) 4.864 2.339 ( -0.529 3.718 -3.044) 4.834 2.481 ( 1.025 -1.417 -1.838) 2.537 2.768 ( 2.684 0.311 6.090) 6.662 3.054 ( -2.854 -1.020 -3.162) 4.381 3.437 ( -3.030 -0.162 1.279) 3.292 4.491 ( -12.478 -0.729 17.100) 21.181 4.915 ( 6.603 0.039 -14.345) 15.792 5.623 ( -3.435 -0.327 5.128) 6.181 5.757 ( 0.118 -0.492 -4.087) 4.118 8.152 ( -12.345 0.060 15.335) 19.687 8.324 ( 8.963 -1.231 -12.809) 15.682 11.353 ( 2.486 -0.253 -5.135) 5.711 11.866 ( 0.726 1.264 -4.577) 4.804 12.915 ( 2.850 -0.135 3.549) 4.554 13.194 ( 17.631 3.185 3.548) 18.264 17.267 ( 2.121 -0.188 -2.208) 3.067 17.425 ( -1.165 3.816 -7.197) 8.229 17.686 ( 3.953 -1.689 -5.856) 7.264 18.364 ( -14.140 -1.688 -0.605) 14.254 ======================= Grid point 493 (250/250) ======================= q-point: (-0.11 -0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 6.61e-05 6.61e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 6.699 0.000 -8.381) 10.730 1.376 ( -10.876 -0.000 10.443) 15.078 1.695 ( -1.539 -0.000 12.388) 12.483 1.775 ( -1.464 -0.000 -2.132) 2.586 2.016 ( -0.609 -0.000 0.287) 0.673 2.296 ( -2.221 -0.000 -5.183) 5.639 2.529 ( 5.428 0.000 1.508) 5.634 2.854 ( 1.282 0.000 6.856) 6.975 2.985 ( -0.706 -0.000 -5.149) 5.197 3.378 ( -5.011 -0.000 -1.349) 5.190 4.475 ( -12.272 -0.000 18.177) 21.932 4.872 ( 5.983 0.000 -13.699) 14.949 5.621 ( -3.903 -0.000 6.026) 7.180 5.729 ( 2.057 0.000 -4.608) 5.046 8.125 ( -12.078 -0.000 16.075) 20.107 8.333 ( 10.105 0.000 -12.690) 16.222 11.357 ( 4.071 0.000 -3.832) 5.591 11.793 ( -4.313 -0.000 -6.233) 7.580 13.010 ( 2.330 0.000 9.299) 9.587 13.500 ( 21.763 0.000 -5.492) 22.445 17.260 ( -0.283 -0.000 -1.946) 1.966 17.341 ( -4.256 -0.000 -7.579) 8.692 17.704 ( 9.276 0.000 -8.275) 12.430 18.113 ( -19.996 -0.000 3.421) 20.286 =================== 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 3/21384 10.0 58.494 28.488 94.506 0.000 0.716 -0.000 3/21384 20.0 23.206 10.138 42.157 -0.000 -2.522 -0.000 3/21384 30.0 13.075 5.575 23.573 -0.000 -2.012 -0.000 3/21384 40.0 8.892 3.781 15.926 -0.000 -1.526 -0.000 3/21384 50.0 6.712 2.847 11.985 -0.000 -1.228 -0.000 3/21384 60.0 5.410 2.283 9.655 -0.000 -1.058 -0.000 3/21384 70.0 4.559 1.908 8.143 -0.000 -0.959 -0.000 3/21384 80.0 3.964 1.642 7.090 -0.000 -0.898 -0.000 3/21384 90.0 3.526 1.446 6.313 -0.000 -0.855 -0.000 3/21384 100.0 3.191 1.295 5.715 -0.000 -0.821 -0.000 3/21384 110.0 2.925 1.177 5.238 -0.000 -0.793 -0.000 3/21384 120.0 2.710 1.082 4.846 -0.000 -0.768 -0.000 3/21384 130.0 2.532 1.004 4.518 -0.000 -0.744 -0.000 3/21384 140.0 2.381 0.939 4.238 -0.000 -0.721 -0.000 3/21384 150.0 2.252 0.884 3.995 -0.000 -0.700 -0.000 3/21384 160.0 2.139 0.837 3.782 -0.000 -0.679 -0.000 3/21384 170.0 2.040 0.796 3.593 -0.000 -0.660 -0.000 3/21384 180.0 1.951 0.760 3.424 -0.000 -0.641 -0.000 3/21384 190.0 1.872 0.728 3.272 -0.000 -0.623 -0.000 3/21384 200.0 1.799 0.700 3.134 -0.000 -0.606 -0.000 3/21384 210.0 1.733 0.674 3.008 -0.000 -0.589 -0.000 3/21384 220.0 1.672 0.650 2.892 -0.000 -0.573 -0.000 3/21384 230.0 1.615 0.628 2.785 -0.000 -0.558 -0.000 3/21384 240.0 1.563 0.608 2.686 -0.000 -0.543 -0.000 3/21384 250.0 1.514 0.589 2.594 -0.000 -0.529 -0.000 3/21384 260.0 1.468 0.572 2.508 -0.000 -0.515 -0.000 3/21384 270.0 1.425 0.556 2.428 -0.000 -0.502 -0.000 3/21384 280.0 1.384 0.540 2.353 -0.000 -0.490 -0.000 3/21384 290.0 1.345 0.526 2.282 -0.000 -0.478 -0.000 3/21384 300.0 1.309 0.512 2.215 -0.000 -0.466 -0.000 3/21384 310.0 1.274 0.499 2.152 -0.000 -0.455 -0.000 3/21384 320.0 1.242 0.486 2.093 -0.000 -0.445 -0.000 3/21384 330.0 1.210 0.474 2.037 -0.000 -0.435 -0.000 3/21384 340.0 1.181 0.463 1.984 -0.000 -0.425 -0.000 3/21384 350.0 1.152 0.452 1.933 -0.000 -0.415 -0.000 3/21384 360.0 1.125 0.442 1.885 -0.000 -0.406 -0.000 3/21384 370.0 1.099 0.432 1.839 -0.000 -0.398 -0.000 3/21384 380.0 1.075 0.423 1.795 -0.000 -0.389 -0.000 3/21384 390.0 1.051 0.414 1.753 -0.000 -0.381 -0.000 3/21384 400.0 1.028 0.405 1.713 -0.000 -0.373 -0.000 3/21384 410.0 1.006 0.397 1.675 -0.000 -0.366 -0.000 3/21384 420.0 0.985 0.389 1.639 -0.000 -0.358 -0.000 3/21384 430.0 0.965 0.381 1.604 -0.000 -0.351 -0.000 3/21384 440.0 0.946 0.374 1.570 -0.000 -0.345 -0.000 3/21384 450.0 0.927 0.367 1.538 -0.000 -0.338 -0.000 3/21384 460.0 0.909 0.360 1.507 -0.000 -0.332 -0.000 3/21384 470.0 0.892 0.353 1.477 -0.000 -0.326 -0.000 3/21384 480.0 0.875 0.347 1.448 -0.000 -0.320 -0.000 3/21384 490.0 0.859 0.340 1.421 -0.000 -0.314 -0.000 3/21384 500.0 0.844 0.334 1.394 -0.000 -0.309 -0.000 3/21384 510.0 0.829 0.329 1.369 -0.000 -0.303 -0.000 3/21384 520.0 0.814 0.323 1.344 -0.000 -0.298 -0.000 3/21384 530.0 0.800 0.318 1.320 -0.000 -0.293 -0.000 3/21384 540.0 0.787 0.312 1.297 -0.000 -0.288 -0.000 3/21384 550.0 0.774 0.307 1.275 -0.000 -0.284 -0.000 3/21384 560.0 0.761 0.302 1.253 -0.000 -0.279 -0.000 3/21384 570.0 0.749 0.297 1.233 -0.000 -0.275 -0.000 3/21384 580.0 0.737 0.293 1.212 -0.000 -0.271 -0.000 3/21384 590.0 0.725 0.288 1.193 -0.000 -0.266 -0.000 3/21384 600.0 0.714 0.284 1.174 -0.000 -0.262 -0.000 3/21384 610.0 0.703 0.280 1.156 -0.000 -0.258 -0.000 3/21384 620.0 0.692 0.276 1.138 -0.000 -0.255 -0.000 3/21384 630.0 0.682 0.272 1.121 -0.000 -0.251 -0.000 3/21384 640.0 0.672 0.268 1.104 -0.000 -0.247 -0.000 3/21384 650.0 0.662 0.264 1.088 -0.000 -0.244 -0.000 3/21384 660.0 0.653 0.260 1.072 -0.000 -0.240 -0.000 3/21384 670.0 0.644 0.257 1.056 -0.000 -0.237 -0.000 3/21384 680.0 0.635 0.253 1.041 -0.000 -0.234 -0.000 3/21384 690.0 0.626 0.250 1.027 -0.000 -0.231 -0.000 3/21384 700.0 0.618 0.246 1.013 -0.000 -0.228 -0.000 3/21384 710.0 0.610 0.243 0.999 -0.000 -0.225 -0.000 3/21384 720.0 0.602 0.240 0.986 -0.000 -0.222 -0.000 3/21384 730.0 0.594 0.237 0.973 -0.000 -0.219 -0.000 3/21384 740.0 0.586 0.234 0.960 -0.000 -0.216 -0.000 3/21384 750.0 0.579 0.231 0.948 -0.000 -0.213 -0.000 3/21384 760.0 0.571 0.228 0.936 -0.000 -0.211 -0.000 3/21384 770.0 0.564 0.225 0.924 -0.000 -0.208 -0.000 3/21384 780.0 0.557 0.223 0.912 -0.000 -0.206 -0.000 3/21384 790.0 0.551 0.220 0.901 -0.000 -0.203 -0.000 3/21384 800.0 0.544 0.217 0.890 -0.000 -0.201 -0.000 3/21384 810.0 0.538 0.215 0.880 -0.000 -0.198 -0.000 3/21384 820.0 0.531 0.212 0.869 -0.000 -0.196 -0.000 3/21384 830.0 0.525 0.210 0.859 -0.000 -0.194 -0.000 3/21384 840.0 0.519 0.208 0.849 -0.000 -0.192 -0.000 3/21384 850.0 0.513 0.205 0.839 -0.000 -0.190 -0.000 3/21384 860.0 0.508 0.203 0.830 -0.000 -0.188 -0.000 3/21384 870.0 0.502 0.201 0.820 -0.000 -0.185 -0.000 3/21384 880.0 0.497 0.199 0.811 -0.000 -0.183 -0.000 3/21384 890.0 0.491 0.196 0.803 -0.000 -0.181 -0.000 3/21384 900.0 0.486 0.194 0.794 -0.000 -0.180 -0.000 3/21384 910.0 0.481 0.192 0.785 -0.000 -0.178 -0.000 3/21384 920.0 0.476 0.190 0.777 -0.000 -0.176 -0.000 3/21384 930.0 0.471 0.188 0.769 -0.000 -0.174 -0.000 3/21384 940.0 0.466 0.186 0.761 -0.000 -0.172 -0.000 3/21384 950.0 0.461 0.185 0.753 -0.000 -0.170 -0.000 3/21384 960.0 0.457 0.183 0.745 -0.000 -0.169 -0.000 3/21384 970.0 0.452 0.181 0.738 -0.000 -0.167 -0.000 3/21384 980.0 0.448 0.179 0.730 -0.000 -0.165 -0.000 3/21384 990.0 0.443 0.177 0.723 -0.000 -0.164 -0.000 3/21384 1000.0 0.439 0.176 0.716 -0.000 -0.162 -0.000 3/21384 Thermal conductivity related properties were written into "kappa-m9911.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:43:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|